Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N LYS 654.A O no hydrogen 3.026 N/A ARG 4.A NH1 THR 362.A O no hydrogen 3.036 N/A ARG 4.A NH1 ASN 368.A O no hydrogen 2.773 N/A ARG 4.A NH2 THR 362.A O no hydrogen 3.486 N/A THR 5.A N TYR 369.A OH no hydrogen 2.967 N/A THR 5.A OG1 HIS 653.A ND1 no hydrogen 2.852 N/A LEU 6.A N VAL 652.A O no hydrogen 2.819 N/A SER 9.A N LEU 331.A O no hydrogen 2.976 N/A SER 9.A OG SER 330.A OG no hydrogen 2.717 N/A ASN 11.A N ALA 29.A O no hydrogen 2.923 N/A ASN 11.A ND2 ARG 31.A O no hydrogen 3.141 N/A ASN 11.A ND2 VAL 65.A O no hydrogen 2.812 N/A CYS 14.A SG TRP 12.A O no hydrogen 3.589 N/A CYS 14.A SG SER 66.A O no hydrogen 3.456 N/A ARG 16.A NH1 LEU 113.A O no hydrogen 2.932 N/A ARG 16.A NH1 LEU 155.A O no hydrogen 2.814 N/A ARG 16.A NH2 LEU 155.A O no hydrogen 2.965 N/A ARG 16.A NH2 THR 156.A OG1 no hydrogen 3.166 N/A CYS 17.A N ASN 292.A OD1 no hydrogen 2.849 N/A CYS 17.A SG ASN 11.A O no hydrogen 3.611 N/A CYS 17.A SG ASN 292.A OD1 no hydrogen 3.912 N/A SER 18.A OG.A ASN 292.A OD1 no hydrogen 2.999 N/A SER 18.A OG.B ASN 292.A OD1 no hydrogen 2.664 N/A ASP 19.A N GLY 27.A O no hydrogen 3.051 N/A VAL 21.A N LEU 25.A O no hydrogen 2.939 N/A GLY 23.A N GLN 297.A O no hydrogen 3.128 N/A GLY 24.A N VAL 39.A O no hydrogen 3.013 N/A LEU 25.A N VAL 21.A O no hydrogen 3.205 N/A PHE 26.A N VAL 37.A O no hydrogen 2.859 N/A GLY 27.A N ASP 19.A O no hydrogen 2.877 N/A PHE 28.A N PHE 35.A O no hydrogen 2.882 N/A ALA 29.A N CYS 17.A O no hydrogen 2.838 N/A ALA 30.A N SER 33.A O no hydrogen 2.928 N/A ARG 31.A N ASN 11.A OD1 no hydrogen 2.824 N/A SER 33.A N ALA 30.A O no hydrogen 2.970 N/A SER 33.A OG GLU 57.A OE2 no hydrogen 2.578 N/A VAL 34.A N LEU 58.A O no hydrogen 3.279 N/A PHE 35.A N PHE 28.A O no hydrogen 3.010 N/A LEU 36.A N GLY 56.A O no hydrogen 2.938 N/A VAL 37.A N PHE 26.A O no hydrogen 2.848 N/A ARG 38.A N ARG 53.A O no hydrogen 2.849 N/A VAL 39.A N GLY 24.A O no hydrogen 2.904 N/A GLY 40.A N PRO 51.A O no hydrogen 2.825 N/A ALA 43.A N GLY 40.A O no hydrogen 2.974 N/A GLY 44.A N PRO 41.A O no hydrogen 2.957 N/A THR 49.A N SER 46.A O no hydrogen 3.071 N/A PHE 52.A N PRO 50.A O no hydrogen 2.836 N/A ARG 53.A N ARG 38.A O no hydrogen 2.924 N/A ARG 53.A NE ALA 43.A O no hydrogen 2.972 N/A ARG 53.A NH2 ALA 43.A O no hydrogen 2.727 N/A ILE 55.A N LEU 36.A O no hydrogen 2.828 N/A GLY 56.A N LEU 36.A O no hydrogen 3.358 N/A LEU 58.A N VAL 34.A O no hydrogen 2.685 N/A HIS 61.A ND1 ASP 86.A OD2 no hydrogen 2.732 N/A HIS 61.A NE2 THR 82.A OG1 no hydrogen 2.732 N/A THR 62.A N ASP 86.A OD2 no hydrogen 3.012 N/A ARG 64.A NE ASP 85.A OD2 no hydrogen 2.935 N/A ARG 64.A NH2 ASP 85.A OD1 no hydrogen 2.943 N/A ARG 64.A NH2 ASP 85.A OD2 no hydrogen 3.516 N/A VAL 65.A N ARG 31.A O no hydrogen 2.902 N/A SER 66.A N SER 83.A O no hydrogen 2.896 N/A SER 66.A OG SER 83.A OG no hydrogen 2.820 N/A PHE 68.A N ARG 16.A O no hydrogen 3.057 N/A THR 69.A N ALA 81.A O no hydrogen 2.943 N/A THR 69.A OG1 PHE 70.A O no hydrogen 3.379 N/A PHE 70.A N ASP 19.A OD2 no hydrogen 2.813 N/A SER 71.A N LEU 79.A O no hydrogen 2.884 N/A HIS 72.A NE2 ASP 19.A OD2 no hydrogen 2.837 N/A HIS 73.A N SER 71.A OG no hydrogen 3.110 N/A HIS 73.A NE2 SER 116.A O no hydrogen 2.846 N/A GLN 76.A N HIS 73.A O no hydrogen 2.921 N/A ASN 78.A ND2 ASP 93.A OD1 no hydrogen 3.068 N/A LEU 79.A N GLN 76.A O no hydrogen 3.034 N/A CYS 80.A N TRP 92.A O no hydrogen 3.113 N/A CYS 80.A SG TRP 92.A O no hydrogen 4.023 N/A ALA 81.A N THR 69.A O no hydrogen 2.797 N/A THR 82.A N LYS 90.A O no hydrogen 2.927 N/A THR 82.A OG1 HIS 61.A NE2 no hydrogen 2.732 N/A SER 83.A N GLY 67.A O no hydrogen 3.037 N/A SER 83.A OG SER 66.A OG no hydrogen 2.820 N/A SER 84.A N THR 88.A O no hydrogen 3.175 N/A SER 84.A OG GLU 63.A O no hydrogen 2.925 N/A SER 84.A OG ARG 64.A O no hydrogen 3.091 N/A ASP 85.A N ARG 64.A O no hydrogen 2.933 N/A ASP 86.A N SER 84.A OG no hydrogen 2.991 N/A GLY 87.A N SER 84.A O no hydrogen 2.967 N/A THR 88.A N ASP 86.A OD1 no hydrogen 2.881 N/A THR 88.A OG1 ASP 86.A OD1 no hydrogen 2.560 N/A VAL 89.A N HIS 103.A O no hydrogen 2.911 N/A LYS 90.A N THR 82.A O no hydrogen 2.878 N/A LYS 90.A NZ THR 88.A OG1 no hydrogen 3.049 N/A LYS 90.A NZ GLU 102.A OE1 no hydrogen 3.366 N/A LYS 90.A NZ GLU 102.A OE2 no hydrogen 2.937 N/A ILE 91.A N THR 101.A O no hydrogen 2.778 N/A TRP 92.A N CYS 80.A O no hydrogen 2.800 N/A TRP 92.A NE1 THR 82.A OG1 no hydrogen 2.767 N/A ASP 93.A N THR 98.A O no hydrogen 3.018 N/A VAL 94.A N ASN 78.A O no hydrogen 2.833 N/A GLU 95.A N ASP 93.A OD1 no hydrogen 2.910 N/A THR 96.A OG1 ASP 93.A O no hydrogen 3.450 N/A THR 96.A OG1 THR 98.A OG1 no hydrogen 2.418 N/A THR 98.A OG1 THR 96.A OG1 no hydrogen 2.418 N/A VAL 100.A N ILE 91.A O no hydrogen 2.662 N/A HIS 103.A N VAL 89.A O no hydrogen 2.881 N/A LEU 105.A N HIS 103.A ND1 no hydrogen 3.084 N/A HIS 106.A ND1 ASP 127.A OD2 no hydrogen 2.719 N/A HIS 106.A NE2 SER 125.A OG no hydrogen 2.644 N/A SER 111.A N GLY 126.A O no hydrogen 2.799 N/A SER 111.A OG ILE 152.A O no hydrogen 2.569 N/A THR 112.A N GLY 126.A O no hydrogen 3.383 N/A HIS 114.A N VAL 124.A O no hydrogen 2.751 N/A TRP 115.A N THR 69.A OG1 no hydrogen 3.140 N/A TRP 115.A NE1 LYS 120.A O no hydrogen 2.963 N/A SER 116.A N LEU 122.A O no hydrogen 2.850 N/A ARG 118.A N SER 116.A OG no hydrogen 3.003 N/A VAL 119.A N SER 116.A OG no hydrogen 2.900 N/A LEU 122.A N VAL 119.A O no hydrogen 3.309 N/A ILE 123.A N TYR 135.A O no hydrogen 2.836 N/A VAL 124.A N HIS 114.A O no hydrogen 2.968 N/A SER 125.A N PHE 133.A O no hydrogen 2.970 N/A SER 125.A OG HIS 106.A NE2 no hydrogen 2.644 N/A GLY 126.A N THR 112.A O no hydrogen 3.003 N/A ASP 127.A N VAL 131.A O no hydrogen 2.865 N/A GLU 128.A N THR 109.A O no hydrogen 2.827 N/A LYS 129.A N ASP 127.A OD1 no hydrogen 2.951 N/A GLY 130.A N ASP 127.A O no hydrogen 2.933 N/A VAL 131.A N ASP 127.A OD1 no hydrogen 3.037 N/A VAL 132.A N LEU 145.A O no hydrogen 2.891 N/A PHE 133.A N SER 125.A O no hydrogen 2.920 N/A CYS 134.A N GLN 143.A O no hydrogen 2.742 N/A TYR 135.A N ILE 123.A O no hydrogen 2.851 N/A TRP 136.A N ASP 141.A O no hydrogen 2.934 N/A PHE 137.A N ASP 121.A O no hydrogen 2.856 N/A ASN 138.A N ASP 121.A OD2 no hydrogen 2.965 N/A ARG 139.A N TRP 136.A O no hydrogen 3.325 N/A ARG 139.A NE.A ASP 121.A OD2 no hydrogen 3.162 N/A ARG 139.A NH2.A ASP 121.A OD1 no hydrogen 2.693 N/A ARG 139.A NH2.B ASP 141.A OD2.A no hydrogen 2.650 N/A ASP 141.A N TRP 136.A O no hydrogen 3.351 N/A SER 142.A N ASP 141.A OD1.B no hydrogen 2.857 N/A GLN 143.A N CYS 134.A O no hydrogen 2.842 N/A GLN 143.A NE2.A HIS 144.A O no hydrogen 3.220 N/A LEU 145.A N VAL 132.A O no hydrogen 2.775 N/A ARG 150.A N GLU 148.A O no hydrogen 2.842 N/A ARG 150.A NE GLU 148.A OE1 no hydrogen 2.712 N/A ARG 150.A NH2 GLU 148.A OE1 no hydrogen 3.458 N/A THR 151.A OG1 GLU 128.A O no hydrogen 2.875 N/A ILE 152.A N ASP 127.A O no hydrogen 3.434 N/A PHE 153.A N GLY 168.A O no hydrogen 2.823 N/A CYS 154.A N GLY 168.A O no hydrogen 3.066 N/A CYS 154.A SG ILE 196.A O no hydrogen 3.606 N/A THR 156.A N ALA 166.A O no hydrogen 2.879 N/A THR 156.A OG1 ILE 198.A O no hydrogen 2.664 N/A CYS 157.A N HIS 114.A ND1 no hydrogen 3.007 N/A CYS 157.A SG HIS 114.A ND1 no hydrogen 3.781 N/A SER 158.A N LEU 164.A O no hydrogen 2.950 N/A HIS 160.A N SER 158.A OG no hydrogen 2.907 N/A HIS 160.A NE2 CYS 201.A O no hydrogen 2.944 N/A HIS 161.A N SER 158.A OG no hydrogen 2.989 N/A ASP 163.A N HIS 161.A ND1.B no hydrogen 3.125 N/A LEU 164.A N HIS 161.A O no hydrogen 3.239 N/A VAL 165.A N ILE 177.A O no hydrogen 3.035 N/A ALA 166.A N THR 156.A O no hydrogen 2.959 N/A ILE 167.A N VAL 175.A O no hydrogen 2.851 N/A GLY 168.A N CYS 154.A O no hydrogen 2.798 N/A TYR 169.A N ILE 173.A O no hydrogen 2.914 N/A LYS 170.A N THR 151.A O no hydrogen 2.956 N/A GLY 172.A N TYR 169.A O no hydrogen 3.099 N/A ILE 173.A N ASP 171.A OD1 no hydrogen 3.002 N/A VAL 175.A N ILE 167.A O no hydrogen 3.056 N/A ILE 176.A N HIS 187.A O no hydrogen 2.858 N/A ILE 177.A N VAL 165.A O no hydrogen 2.818 N/A ASP 178.A N GLU 184.A O no hydrogen 2.970 N/A ILE 179.A N ASP 163.A O no hydrogen 2.792 N/A SER 180.A N ASP 178.A OD1 no hydrogen 2.748 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.635 N/A LYS 181.A N ASP 178.A O no hydrogen 2.983 N/A GLY 183.A N ASP 178.A O no hydrogen 2.975 N/A GLU 184.A N LYS 181.A O no hydrogen 3.034 N/A ILE 186.A N ILE 176.A O no hydrogen 2.756 N/A HIS 187.A N ILE 176.A O no hydrogen 3.345 N/A ARG 188.A NH1 GLU 148.A OE2 no hydrogen 2.394 N/A ARG 188.A NH2 GLU 148.A OE1 no hydrogen 3.411 N/A ARG 188.A NH2 GLU 148.A OE2 no hydrogen 2.748 N/A LEU 189.A N VAL 174.A O no hydrogen 2.755 N/A HIS 192.A ND1 ASP 213.A OD2 no hydrogen 2.944 N/A HIS 192.A NE2 THR 209.A OG1 no hydrogen 2.629 N/A ASP 193.A N ASP 213.A OD2 no hydrogen 3.223 N/A GLU 195.A N ASP 194.A OD1 no hydrogen 2.809 N/A ILE 196.A N TYR 169.A O no hydrogen 3.180 N/A SER 197.A OG.B LEU 240.A O no hydrogen 2.833 N/A ALA 199.A N ALA 208.A O no hydrogen 2.814 N/A TRP 200.A NE1 THR 156.A O no hydrogen 3.030 N/A CYS 201.A N TYR 206.A O no hydrogen 2.840 N/A LEU 207.A N TRP 219.A O no hydrogen 3.132 N/A ALA 208.A N ALA 199.A O no hydrogen 2.696 N/A THR 209.A N ARG 217.A O no hydrogen 2.859 N/A THR 209.A OG1 HIS 192.A NE2 no hydrogen 2.629 N/A THR 209.A OG1 ARG 217.A O no hydrogen 3.375 N/A GLY 210.A N SER 197.A O no hydrogen 2.889 N/A SER 211.A N THR 215.A O no hydrogen 3.236 N/A SER 211.A OG ASP 194.A O no hydrogen 3.011 N/A SER 211.A OG GLU 195.A O no hydrogen 2.855 N/A LYS 212.A N GLU 195.A O no hydrogen 2.933 N/A ASP 213.A N SER 211.A OG no hydrogen 3.009 N/A GLN 214.A N SER 211.A O no hydrogen 2.953 N/A GLN 214.A NE2 LYS 212.A O no hydrogen 3.505 N/A THR 215.A N ASP 213.A OD1 no hydrogen 2.977 N/A THR 215.A OG1 ASP 213.A OD1 no hydrogen 2.684 N/A THR 215.A OG1 ASP 213.A OD2 no hydrogen 3.458 N/A ILE 216.A N LEU 227.A O no hydrogen 2.886 N/A ARG 217.A N THR 209.A O no hydrogen 2.940 N/A ARG 217.A NE HIS 192.A ND1 no hydrogen 3.411 N/A ARG 217.A NE THR 215.A OG1 no hydrogen 3.257 N/A ILE 218.A N MET 225.A O no hydrogen 2.876 N/A TRP 219.A N LEU 207.A O no hydrogen 2.853 N/A TRP 219.A NE1 THR 209.A OG1 no hydrogen 2.764 N/A SER 220.A N ARG 222.A O no hydrogen 2.810 N/A CYS 221.A N CYS 205.A O no hydrogen 3.013 N/A VAL 224.A N ILE 218.A O no hydrogen 2.733 N/A LEU 227.A N ILE 216.A O no hydrogen 2.715 N/A LEU 229.A N GLN 214.A O no hydrogen 2.927 N/A ARG 235.A NE GLU 260.A OE2 no hydrogen 2.981 N/A ARG 235.A NH1 SER 278.A O no hydrogen 2.987 N/A ARG 235.A NH2 GLU 260.A OE1 no hydrogen 2.980 N/A ARG 235.A NH2 PHE 277.A O no hydrogen 3.069 N/A ARG 235.A NH2 SER 278.A O no hydrogen 3.504 N/A THR 241.A N SER 255.A OG no hydrogen 2.842 N/A THR 241.A OG1 PHE 291.A O no hydrogen 3.372 N/A HIS 243.A N VAL 253.A O no hydrogen 2.862 N/A TRP 244.A NE1 PRO 249.A O no hydrogen 2.866 N/A GLN 248.A N PRO 245.A O no hydrogen 3.165 N/A GLN 251.A N GLN 248.A O no hydrogen 2.926 N/A LEU 252.A N TRP 264.A O no hydrogen 3.054 N/A VAL 253.A N HIS 243.A O no hydrogen 2.793 N/A SER 254.A N LEU 262.A O no hydrogen 2.887 N/A SER 254.A OG SER 255.A O no hydrogen 2.793 N/A SER 255.A N THR 241.A O no hydrogen 2.979 N/A SER 255.A OG TRP 239.A O no hydrogen 2.790 N/A CYS 256.A SG PRO 230.A O no hydrogen 3.600 N/A GLY 259.A N CYS 256.A O no hydrogen 2.972 N/A GLU 260.A N PHE 257.A O no hydrogen 3.410 N/A LEU 262.A N SER 254.A O no hydrogen 2.887 N/A GLN 263.A N THR 275.A O no hydrogen 2.821 N/A TRP 264.A N LEU 252.A O no hydrogen 2.790 N/A TRP 264.A NE1 SER 254.A OG no hydrogen 2.934 N/A ASP 265.A N LYS 273.A O no hydrogen 3.022 N/A LEU 266.A N THR 250.A O no hydrogen 2.804 N/A THR 267.A N ASP 265.A OD1 no hydrogen 2.747 N/A THR 267.A OG1 ASP 265.A OD1 no hydrogen 2.578 N/A THR 267.A OG1 ASP 265.A OD2 no hydrogen 3.413 N/A GLN 268.A N ASP 265.A OD1 no hydrogen 3.379 N/A ARG 272.A N SER 269.A O no hydrogen 3.345 N/A ARG 272.A NE LYS 228.A O no hydrogen 2.799 N/A ARG 272.A NH2 LYS 228.A O no hydrogen 2.872 N/A LYS 273.A NZ TYR 274.A O no hydrogen 3.117 N/A THR 275.A N GLN 263.A O no hydrogen 2.742 N/A PHE 277.A N LEU 261.A O no hydrogen 2.910 N/A SER 278.A N LEU 322.A O no hydrogen 2.811 N/A ASN 285.A ND2 HIS 286.A O no hydrogen 3.006 N/A HIS 286.A ND1 ASP 311.A OD1 no hydrogen 3.187 N/A HIS 286.A ND1 ASP 311.A OD2 no hydrogen 2.927 N/A HIS 286.A NE2 SER 307.A OG no hydrogen 2.632 N/A SER 287.A N ASP 311.A OD2 no hydrogen 2.924 N/A ILE 289.A N GLU 236.A OE1 no hydrogen 3.144 N/A PHE 291.A N THR 308.A O no hydrogen 2.886 N/A ASN 292.A N THR 308.A OG1 no hydrogen 3.247 N/A ASN 292.A ND2 CYS 14.A O no hydrogen 2.955 N/A ASN 292.A ND2 PHE 291.A O no hydrogen 2.785 N/A CYS 294.A N LEU 306.A O no hydrogen 2.790 N/A CYS 294.A SG SER 18.A OG.A no hydrogen 2.936 N/A LEU 296.A N LEU 304.A O no hydrogen 3.009 N/A THR 298.A N LYS 302.A O no hydrogen 2.994 N/A THR 298.A OG1 ASP 300.A OD1 no hydrogen 2.395 N/A THR 298.A OG1 LYS 302.A O no hydrogen 3.459 N/A GLU 299.A N GLY 23.A O no hydrogen 2.836 N/A ASP 301.A N THR 298.A O no hydrogen 2.830 N/A LYS 302.A N THR 298.A OG1 no hydrogen 3.099 N/A LEU 304.A N LEU 296.A O no hydrogen 2.918 N/A LEU 305.A N TRP 317.A O no hydrogen 2.844 N/A LEU 306.A N CYS 294.A O no hydrogen 2.804 N/A SER 307.A N LYS 315.A O no hydrogen 2.856 N/A SER 307.A OG HIS 286.A NE2 no hydrogen 2.632 N/A SER 307.A OG LYS 315.A O no hydrogen 3.337 N/A THR 308.A N ASN 292.A O no hydrogen 2.963 N/A SER 309.A OG ARG 288.A O no hydrogen 2.915 N/A SER 309.A OG ILE 289.A O no hydrogen 2.921 N/A MET 310.A N ILE 289.A O no hydrogen 2.907 N/A ASP 311.A N SER 309.A OG no hydrogen 2.929 N/A ARG 312.A N SER 309.A O no hydrogen 3.050 N/A ARG 312.A NH1 SER 9.A OG no hydrogen 3.055 N/A ASP 313.A N ASP 311.A OD1 no hydrogen 2.958 N/A VAL 314.A N LEU 328.A O no hydrogen 2.777 N/A LYS 315.A N SER 307.A O no hydrogen 3.069 N/A LYS 315.A NZ GLN 284.A O no hydrogen 3.024 N/A LYS 315.A NZ GLN 284.A OE1 no hydrogen 3.245 N/A LYS 315.A NZ THR 327.A OG1 no hydrogen 2.716 N/A CYS 316.A N TRP 326.A O no hydrogen 2.826 N/A TRP 317.A N LEU 305.A O no hydrogen 2.752 N/A TRP 317.A NE1 SER 307.A OG no hydrogen 2.838 N/A ASP 318.A N GLU 323.A O no hydrogen 3.050 N/A ILE 319.A N GLN 303.A O no hydrogen 2.991 N/A THR 321.A N ASP 318.A O no hydrogen 3.233 N/A THR 321.A N ASP 318.A OD1 no hydrogen 3.233 N/A LEU 322.A N ASP 318.A O no hydrogen 2.656 N/A GLU 323.A N THR 321.A OG1 no hydrogen 3.226 N/A CYS 324.A SG GLN 284.A OE1 no hydrogen 3.944 N/A CYS 324.A SG CYS 316.A O no hydrogen 3.888 N/A CYS 324.A SG TRP 326.A O no hydrogen 3.256 N/A CYS 324.A SG THR 327.A OG1 no hydrogen 3.633 N/A SER 325.A N CYS 316.A O no hydrogen 2.643 N/A TRP 326.A N CYS 316.A O no hydrogen 3.438 N/A LEU 328.A N VAL 314.A O no hydrogen 2.700 N/A SER 330.A OG SER 9.A OG no hydrogen 2.717 N/A SER 330.A OG ARG 312.A O no hydrogen 2.498 N/A LEU 331.A N PRO 7.A O no hydrogen 2.972 N/A GLY 332.A N ASP 354.A OD2 no hydrogen 2.800 N/A ALA 335.A N ALA 647.A O no hydrogen 3.101 N/A TYR 336.A N GLY 351.A O no hydrogen 2.836 N/A SER 337.A N GLY 351.A O no hydrogen 3.366 N/A ALA 339.A N ALA 349.A O no hydrogen 2.943 N/A SER 341.A N SER 347.A O no hydrogen 2.873 N/A VAL 343.A N SER 341.A OG no hydrogen 2.887 N/A ASP 344.A N SER 341.A OG no hydrogen 2.983 N/A SER 347.A N ASP 344.A O no hydrogen 3.030 N/A LEU 348.A N TRP 360.A O no hydrogen 2.889 N/A ALA 349.A N ALA 339.A O no hydrogen 2.819 N/A ILE 350.A N ARG 358.A O no hydrogen 2.864 N/A GLY 351.A N SER 337.A O no hydrogen 2.871 N/A GLY 353.A N PHE 334.A O no hydrogen 2.920 N/A GLY 355.A N VAL 352.A O no hydrogen 3.382 N/A MET 356.A N ASP 354.A OD1 no hydrogen 3.289 N/A ILE 357.A N PHE 374.A O no hydrogen 2.890 N/A ARG 358.A N ILE 350.A O no hydrogen 3.057 N/A ARG 358.A NH1 ASP 354.A OD1 no hydrogen 2.963 N/A ARG 358.A NH1 ASP 354.A OD2 no hydrogen 3.490 N/A ARG 358.A NH1 MET 356.A O no hydrogen 2.956 N/A ARG 358.A NH2 SER 330.A O no hydrogen 3.088 N/A ARG 358.A NH2 ASP 354.A OD2 no hydrogen 2.823 N/A VAL 359.A N LYS 372.A O no hydrogen 2.822 N/A TRP 360.A N LEU 348.A O no hydrogen 2.781 N/A TRP 360.A NE1 ASN 368.A O no hydrogen 3.087 N/A ASN 361.A N ASP 370.A O no hydrogen 2.844 N/A ASN 361.A ND2 ASP 370.A OD2 no hydrogen 3.243 N/A THR 362.A N GLY 346.A O no hydrogen 3.191 N/A THR 362.A OG1 GLY 346.A O no hydrogen 2.755 N/A SER 364.A N ASN 361.A O no hydrogen 3.269 N/A SER 364.A OG ASP 370.A OD2 no hydrogen 3.556 N/A TYR 369.A N ASN 367.A OD1 no hydrogen 2.776 N/A TYR 369.A OH THR 5.A O no hydrogen 3.386 N/A LYS 372.A N VAL 359.A O no hydrogen 2.938 N/A PHE 374.A N ILE 357.A O no hydrogen 2.926 N/A GLN 376.A NE2 ASN 412.A O no hydrogen 2.896 N/A VAL 378.A N TRP 375.A O no hydrogen 3.178 N/A SER 380.A OG VAL 378.A O no hydrogen 3.479 N/A SER 380.A OG ASP 401.A OD2 no hydrogen 3.291 N/A LYS 381.A N ASP 400.A OD1.B no hydrogen 3.133 N/A VAL 382.A N VAL 352.A O no hydrogen 3.142 N/A THR 383.A N GLY 398.A O no hydrogen 2.994 N/A THR 383.A OG1 GLY 398.A O no hydrogen 3.517 N/A THR 383.A OG1 VAL 426.A O no hydrogen 2.760 N/A ALA 384.A N GLY 398.A O no hydrogen 3.413 N/A CYS 386.A N ALA 396.A O no hydrogen 2.935 N/A CYS 386.A SG TRP 387.A O no hydrogen 3.608 N/A CYS 386.A SG LEU 429.A O no hydrogen 3.813 N/A TRP 387.A NE1 ALA 339.A O no hydrogen 2.959 N/A HIS 388.A N CYS 394.A O no hydrogen 2.928 N/A THR 390.A N HIS 388.A ND1 no hydrogen 3.082 N/A LYS 391.A N HIS 388.A ND1 no hydrogen 3.111 N/A CYS 394.A N LYS 391.A O no hydrogen 3.228 N/A LEU 395.A N TYR 407.A O no hydrogen 2.916 N/A ALA 396.A N CYS 386.A O no hydrogen 2.991 N/A PHE 397.A N GLY 405.A O no hydrogen 2.867 N/A GLY 398.A N ALA 384.A O no hydrogen 2.938 N/A THR 399.A N LYS 403.A O no hydrogen 2.968 N/A THR 399.A OG1 SER 380.A OG no hydrogen 3.402 N/A THR 399.A OG1 ASP 401.A OD1 no hydrogen 2.683 N/A ASP 400.A N LYS 381.A O no hydrogen 2.877 N/A GLY 402.A N THR 399.A O no hydrogen 3.039 N/A LYS 403.A N THR 399.A OG1 no hydrogen 3.175 N/A LYS 403.A NZ GLY 377.A O no hydrogen 2.798 N/A LYS 403.A NZ VAL 378.A O no hydrogen 2.784 N/A GLY 405.A N PHE 397.A O no hydrogen 2.896 N/A LEU 406.A N GLN 416.A O no hydrogen 2.776 N/A TYR 407.A N LEU 395.A O no hydrogen 2.779 N/A TYR 407.A OH GLN 376.A O no hydrogen 2.476 N/A THR 409.A N GLY 393.A O no hydrogen 2.813 N/A THR 409.A OG1 GLY 393.A O no hydrogen 3.398 N/A TYR 410.A N ASP 408.A OD1 no hydrogen 2.922 N/A TYR 410.A OH ASP 344.A OD1 no hydrogen 3.418 N/A TYR 410.A OH ASP 344.A OD2 no hydrogen 2.596 N/A SER 411.A N ASP 408.A O no hydrogen 3.071 N/A SER 411.A OG ASP 408.A O no hydrogen 2.882 N/A LYS 413.A N SER 411.A OG no hydrogen 3.030 N/A GLN 416.A N LEU 406.A O no hydrogen 2.991 N/A SER 418.A N VAL 404.A O no hydrogen 2.809 N/A SER 418.A OG THR 420.A O no hydrogen 2.792 N/A SER 418.A OG HIS 455.A ND1 no hydrogen 3.254 N/A SER 419.A N LEU 460.A O no hydrogen 3.273 N/A SER 419.A OG SER 461.A O no hydrogen 2.845 N/A HIS 422.A N GLY 402.A O no hydrogen 2.811 N/A HIS 422.A ND1 GLU 449.A OE2 no hydrogen 2.761 N/A HIS 422.A NE2 SER 445.A OG no hydrogen 2.655 N/A LYS 424.A N GLU 449.A OE1 no hydrogen 3.070 N/A THR 425.A OG1 ASP 400.A O no hydrogen 3.228 N/A THR 425.A OG1 ASP 400.A OD1.A no hydrogen 2.604 N/A VAL 426.A N THR 399.A O no hydrogen 3.064 N/A TYR 427.A N CYS 446.A O no hydrogen 2.807 N/A THR 428.A OG1 GLU 486.A OE1 no hydrogen 2.638 N/A ALA 430.A N TYR 444.A O no hydrogen 2.947 N/A TRP 431.A NE1 CYS 386.A O no hydrogen 3.394 N/A GLY 432.A N ALA 442.A O no hydrogen 2.992 N/A VAL 435.A N GLN 454.A OE1 no hydrogen 2.836 N/A MET 438.A N VAL 435.A O no hydrogen 2.930 N/A ALA 442.A N GLY 432.A O no hydrogen 2.766 N/A LEU 443.A N HIS 455.A O no hydrogen 3.092 N/A TYR 444.A N ALA 430.A O no hydrogen 2.728 N/A TYR 444.A OH PRO 433.A O no hydrogen 2.606 N/A SER 445.A N LEU 453.A O no hydrogen 2.865 N/A SER 445.A OG HIS 422.A NE2 no hydrogen 2.655 N/A SER 445.A OG HIS 455.A NE2 no hydrogen 2.676 N/A CYS 446.A N THR 428.A O no hydrogen 2.988 N/A CYS 446.A SG GLY 447.A O no hydrogen 3.962 N/A CYS 446.A SG HIS 484.A O no hydrogen 3.263 N/A GLY 447.A N ILE 451.A O no hydrogen 3.094 N/A GLY 448.A N THR 425.A O no hydrogen 2.707 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.776 N/A GLY 450.A N GLY 447.A O no hydrogen 2.909 N/A LEU 453.A N SER 445.A O no hydrogen 2.820 N/A GLN 454.A N PHE 465.A O no hydrogen 2.823 N/A GLN 454.A NE2 VAL 435.A O no hydrogen 2.974 N/A HIS 455.A N LEU 443.A O no hydrogen 2.810 N/A HIS 455.A NE2 SER 445.A OG no hydrogen 2.676 N/A TRP 458.A N ASN 456.A OD1 no hydrogen 2.925 N/A LYS 459.A N ASN 456.A O no hydrogen 2.938 N/A GLY 462.A N LYS 459.A O no hydrogen 2.925 N/A PHE 465.A N GLN 454.A O no hydrogen 2.945 N/A ILE 467.A N VAL 452.A O no hydrogen 3.038 N/A ASN 468.A N ASP 466.A OD1 no hydrogen 2.846 N/A LYS 469.A NZ ASP 473.A OD1 no hydrogen 2.913 N/A LYS 469.A NZ ASP 473.A OD2 no hydrogen 2.643 N/A ILE 471.A N ILE 467.A O no hydrogen 3.068 N/A ARG 472.A N ASN 468.A O no hydrogen 2.845 N/A ARG 472.A NH1 ILE 477.A O no hydrogen 3.121 N/A ARG 472.A NH1 TYR 479.A O no hydrogen 3.139 N/A ASP 473.A N LYS 469.A O no hydrogen 2.980 N/A THR 474.A N LEU 470.A O no hydrogen 2.891 N/A THR 474.A OG1 LEU 470.A O no hydrogen 3.010 N/A THR 474.A OG1 ASN 512.A O no hydrogen 2.686 N/A ASN 475.A N ILE 471.A O no hydrogen 3.053 N/A ASN 475.A ND2 ILE 471.A O no hydrogen 2.862 N/A ASN 475.A ND2 LEU 513.A O no hydrogen 3.004 N/A SER 476.A N ASP 473.A O no hydrogen 3.495 N/A ILE 477.A N ARG 472.A O no hydrogen 3.114 N/A LYS 478.A NZ SER 476.A O no hydrogen 3.470 N/A HIS 484.A N GLY 450.A O no hydrogen 3.059 N/A HIS 484.A ND1 ASN 500.A OD1 no hydrogen 2.684 N/A HIS 484.A NE2 ASN 468.A OD1 no hydrogen 2.716 N/A THR 485.A N GLY 499.A O no hydrogen 2.695 N/A THR 485.A OG1 GLY 499.A O no hydrogen 3.304 N/A THR 485.A OG1 VAL 526.A O no hydrogen 2.687 N/A GLU 486.A N GLY 499.A O no hydrogen 3.170 N/A ILE 487.A N GLU 486.A OE1 no hydrogen 3.003 N/A SER 488.A N ALA 497.A O no hydrogen 2.901 N/A SER 488.A OG ILE 529.A O no hydrogen 3.392 N/A LYS 490.A N ILE 495.A O no hydrogen 2.843 N/A LYS 490.A NZ ASP 492.A OD2 no hydrogen 2.733 N/A GLY 493.A N LYS 490.A O no hydrogen 2.912 N/A LYS 494.A N ASP 492.A OD1 no hydrogen 2.935 N/A MET 496.A N PHE 508.A O no hydrogen 2.901 N/A ALA 497.A N SER 488.A O no hydrogen 2.792 N/A LEU 498.A N GLU 506.A O no hydrogen 2.845 N/A GLY 499.A N GLU 486.A O no hydrogen 2.827 N/A ASN 500.A N SER 504.A O no hydrogen 2.920 N/A ASN 500.A ND2 SER 504.A O no hydrogen 3.569 N/A ASN 500.A ND2 SER 504.A OG no hydrogen 3.017 N/A ASN 500.A ND2 GLU 506.A OE1 no hydrogen 3.081 N/A GLU 501.A N VAL 483.A O no hydrogen 2.756 N/A GLY 503.A N ASN 500.A O no hydrogen 2.996 N/A SER 504.A N ASP 502.A OD1 no hydrogen 2.879 N/A SER 504.A OG ASP 502.A OD1 no hydrogen 2.703 N/A ILE 505.A N ILE 519.A O no hydrogen 3.087 N/A GLU 506.A N LEU 498.A O no hydrogen 2.808 N/A ILE 507.A N CYS 517.A O no hydrogen 2.928 N/A PHE 508.A N MET 496.A O no hydrogen 2.879 N/A GLN 509.A N LYS 514.A O no hydrogen 2.936 N/A ILE 510.A N LYS 494.A O no hydrogen 3.084 N/A LYS 514.A N GLN 509.A O no hydrogen 3.173 N/A LEU 515.A N ASN 475.A OD1 no hydrogen 2.782 N/A ILE 516.A N ILE 507.A O no hydrogen 2.837 N/A CYS 517.A SG VAL 571.A O no hydrogen 3.789 N/A THR 518.A N VAL 571.A O no hydrogen 2.875 N/A ILE 519.A N ILE 505.A O no hydrogen 2.806 N/A GLN 520.A N ILE 573.A O no hydrogen 2.847 N/A GLN 521.A NE2 THR 574.A O no hydrogen 3.064 N/A HIS 522.A NE2 SER 547.A OG no hydrogen 2.723 N/A LYS 524.A NZ ASN 551.A OD1 no hydrogen 3.006 N/A VAL 526.A N ASN 500.A O no hydrogen 3.121 N/A ASN 527.A N GLY 548.A O no hydrogen 2.812 N/A ASN 527.A ND2 ASN 550.A OD1 no hydrogen 2.868 N/A ASN 527.A ND2 ILE 587.A O no hydrogen 2.994 N/A THR 528.A N GLY 548.A O no hydrogen 3.122 N/A ILE 529.A N GLU 486.A OE2 no hydrogen 2.935 N/A SER 530.A N ALA 546.A O no hydrogen 2.967 N/A TRP 531.A NE1 SER 488.A O no hydrogen 3.269 N/A HIS 532.A N LEU 544.A O no hydrogen 3.039 N/A HIS 532.A ND1 HIS 533.A O no hydrogen 2.807 N/A HIS 533.A NE2 HIS 596.A O no hydrogen 2.940 N/A HIS 535.A N HIS 533.A ND1 no hydrogen 3.229 N/A HIS 535.A NE2 PRO 594.A O no hydrogen 2.743 N/A SER 537.A N ASP 597.A OD1 no hydrogen 2.985 N/A SER 537.A OG ASP 597.A OD2 no hydrogen 2.598 N/A LEU 541.A N GLN 538.A O no hydrogen 3.356 N/A SER 542.A N PRO 539.A O no hydrogen 3.188 N/A SER 542.A OG PRO 539.A O no hydrogen 2.835 N/A TYR 543.A N GLU 540.A O no hydrogen 3.065 N/A TYR 543.A OH GLU 564.A OE2 no hydrogen 3.023 N/A LEU 544.A N LEU 541.A O no hydrogen 2.985 N/A MET 545.A N HIS 557.A O no hydrogen 2.800 N/A ALA 546.A N SER 530.A O no hydrogen 2.928 N/A SER 547.A N TYR 555.A O no hydrogen 2.876 N/A SER 547.A OG HIS 522.A NE2 no hydrogen 2.723 N/A GLY 548.A N THR 528.A O no hydrogen 2.925 N/A SER 549.A OG HIS 522.A ND1 no hydrogen 3.276 N/A ASN 550.A N LEU 525.A O no hydrogen 3.049 N/A ASN 551.A N SER 549.A OG no hydrogen 2.989 N/A ILE 554.A N LEU 580.A O no hydrogen 3.035 N/A TYR 555.A N SER 547.A O no hydrogen 3.153 N/A VAL 556.A N ARG 578.A O no hydrogen 2.905 N/A HIS 557.A N MET 545.A O no hydrogen 2.939 N/A HIS 557.A NE2 GLN 521.A OE1 no hydrogen 2.867 N/A LEU 559.A N TYR 543.A O no hydrogen 2.933 N/A LYS 560.A N ASN 558.A OD1 no hydrogen 3.091 N/A LYS 560.A NZ GLU 564.A OE1 no hydrogen 2.679 N/A LYS 560.A NZ GLU 564.A OE2 no hydrogen 3.092 N/A ILE 563.A N LEU 559.A O no hydrogen 3.030 N/A GLU 564.A N LYS 560.A O no hydrogen 2.858 N/A SER 565.A N THR 561.A O no hydrogen 2.960 N/A SER 565.A OG THR 561.A O no hydrogen 3.363 N/A SER 565.A OG VAL 562.A O no hydrogen 3.084 N/A SER 566.A N ILE 563.A O no hydrogen 3.124 N/A SER 566.A OG GLN 509.A OE1.A no hydrogen 2.903 N/A SER 566.A OG GLN 509.A OE1.B no hydrogen 3.235 N/A VAL 571.A N ILE 516.A O no hydrogen 3.079 N/A ILE 573.A N THR 518.A O no hydrogen 2.775 N/A TYR 577.A N VAL 556.A O no hydrogen 2.837 N/A ARG 578.A N VAL 556.A O no hydrogen 3.060 N/A ARG 578.A NE LEU 615.A O no hydrogen 2.912 N/A ARG 578.A NH1 TYR 577.A O no hydrogen 2.976 N/A THR 579.A N GLU 617.A OE2 no hydrogen 2.862 N/A LEU 580.A N ILE 554.A O no hydrogen 2.774 N/A HIS 583.A ND1 ASP 606.A OD2 no hydrogen 2.795 N/A HIS 583.A NE2 SER 602.A OG no hydrogen 2.739 N/A THR 584.A N ASP 606.A OD2 no hydrogen 3.103 N/A LYS 586.A NZ ASN 550.A OD1 no hydrogen 3.030 N/A ILE 587.A N SER 549.A O no hydrogen 3.080 N/A THR 588.A N ALA 603.A O no hydrogen 2.946 N/A THR 588.A OG1 ALA 603.A O no hydrogen 3.218 N/A THR 588.A OG1 LEU 630.A O no hydrogen 2.761 N/A VAL 590.A N THR 528.A OG1 no hydrogen 2.991 N/A ALA 591.A N VAL 601.A O no hydrogen 2.798 N/A TRP 592.A NE1 SER 530.A O no hydrogen 2.922 N/A SER 593.A N ARG 599.A O no hydrogen 2.776 N/A SER 593.A OG HIS 596.A ND1 no hydrogen 2.687 N/A HIS 595.A N SER 593.A OG no hydrogen 3.029 N/A HIS 595.A NE2 SER 636.A O no hydrogen 3.097 N/A HIS 596.A ND1 SER 593.A OG no hydrogen 2.687 N/A GLY 598.A N HIS 532.A NE2 no hydrogen 3.043 N/A LEU 600.A N TRP 612.A O no hydrogen 2.940 N/A VAL 601.A N ALA 591.A O no hydrogen 2.807 N/A SER 602.A N GLN 610.A O no hydrogen 2.894 N/A SER 602.A OG HIS 583.A NE2 no hydrogen 2.739 N/A SER 602.A OG GLN 610.A O no hydrogen 3.330 N/A ALA 603.A N SER 589.A O no hydrogen 2.788 N/A SER 604.A N THR 608.A O no hydrogen 3.161 N/A SER 604.A OG ALA 585.A O no hydrogen 3.224 N/A SER 604.A OG LYS 586.A O no hydrogen 3.114 N/A TYR 605.A N LYS 586.A O no hydrogen 2.873 N/A ASP 606.A N SER 604.A OG no hydrogen 2.914 N/A GLY 607.A N SER 604.A O no hydrogen 3.069 N/A THR 608.A N ASP 606.A OD1 no hydrogen 2.998 N/A THR 608.A OG1 ASP 606.A OD1 no hydrogen 2.753 N/A ALA 609.A N PHE 623.A O no hydrogen 3.120 N/A GLN 610.A N SER 602.A O no hydrogen 2.935 N/A GLN 610.A NE2 VAL 611.A O no hydrogen 2.996 N/A GLN 610.A NE2 SER 663.A O no hydrogen 2.826 N/A VAL 611.A N CYS 621.A O no hydrogen 2.734 N/A TRP 612.A N LEU 600.A O no hydrogen 2.661 N/A TRP 612.A NE1 SER 602.A OG no hydrogen 2.924 N/A ASP 613.A N GLU 618.A O no hydrogen 2.842 N/A ALA 614.A N GLY 598.A O no hydrogen 2.813 N/A ARG 616.A N ASP 613.A O no hydrogen 3.225 N/A ARG 616.A N ASP 613.A OD1 no hydrogen 3.042 N/A GLU 617.A N ALA 614.A O no hydrogen 3.089 N/A GLU 618.A N ASP 613.A O no hydrogen 2.966 N/A LEU 620.A N VAL 611.A O no hydrogen 2.749 N/A CYS 621.A N VAL 611.A O no hydrogen 3.396 N/A CYS 621.A SG THR 657.A O no hydrogen 3.217 N/A ASN 622.A N HIS 662.A O no hydrogen 2.938 N/A ASN 622.A ND2 THR 608.A OG1 no hydrogen 3.092 N/A ASN 622.A ND2 GLN 610.A OE1 no hydrogen 2.769 N/A PHE 623.A N ALA 609.A O no hydrogen 2.799 N/A ARG 624.A NE ASN 622.A OD1 no hydrogen 2.773 N/A ARG 624.A NH2 ARG 664.A O no hydrogen 2.865 N/A HIS 626.A ND1 ASP 649.A OD2 no hydrogen 2.987 N/A HIS 626.A NE2 SER 645.A OG no hydrogen 2.718 N/A GLN 627.A N ASP 649.A OD2 no hydrogen 2.915 N/A GLY 628.A N ASP 649.A OD2 no hydrogen 3.101 N/A ARG 629.A N ASP 648.A OD1 no hydrogen 2.800 N/A ARG 629.A NE ASP 648.A OD2 no hydrogen 3.039 N/A ARG 629.A NH1 ASP 648.A OD2 no hydrogen 3.570 N/A LEU 630.A N SER 604.A O no hydrogen 3.228 N/A LEU 631.A N GLY 646.A O no hydrogen 2.873 N/A CYS 632.A N GLY 646.A O no hydrogen 3.369 N/A CYS 632.A SG ALA 335.A O no hydrogen 3.292 N/A ALA 634.A N TYR 644.A O no hydrogen 2.813 N/A TRP 635.A NE1.A PRO 640.A O no hydrogen 2.961 N/A TRP 635.A NE1.B ALA 591.A O no hydrogen 3.095 N/A SER 636.A N CYS 642.A O no hydrogen 2.816 N/A SER 636.A OG ASP 639.A O no hydrogen 2.669 N/A SER 636.A OG CYS 642.A O no hydrogen 3.005 N/A ASP 639.A N SER 636.A OG no hydrogen 3.165 N/A ASP 641.A N ASP 639.A OD1 no hydrogen 2.839 N/A CYS 642.A N ASP 639.A O no hydrogen 2.952 N/A CYS 642.A SG.A TRP 655.A O no hydrogen 3.693 N/A CYS 642.A SG.B ASP 639.A OD2 no hydrogen 2.505 N/A ILE 643.A N TRP 655.A O no hydrogen 2.994 N/A TYR 644.A N ALA 634.A O no hydrogen 2.933 N/A SER 645.A N HIS 653.A O no hydrogen 2.850 N/A SER 645.A OG HIS 626.A NE2 no hydrogen 2.718 N/A GLY 646.A N CYS 632.A O no hydrogen 2.985 N/A ALA 647.A N CYS 651.A O no hydrogen 3.213 N/A ASP 648.A N ARG 629.A O no hydrogen 3.017 N/A PHE 650.A N ALA 647.A O no hydrogen 3.245 N/A CYS 651.A N ASP 649.A OD1 no hydrogen 3.003 N/A CYS 651.A SG ASP 649.A O no hydrogen 3.691 N/A VAL 652.A N LEU 6.A O no hydrogen 3.041 N/A HIS 653.A N SER 645.A O no hydrogen 2.892 N/A HIS 653.A ND1 THR 5.A OG1 no hydrogen 2.852 N/A LYS 654.A N ARG 4.A O no hydrogen 2.832 N/A TRP 655.A N ILE 643.A O no hydrogen 2.836 N/A TRP 655.A NE1 SER 645.A OG no hydrogen 2.966 N/A THR 657.A N ASP 641.A O no hydrogen 2.701 N/A THR 657.A OG1 ASP 641.A OD1 no hydrogen 2.195 N/A SER 658.A N ASP 641.A OD1 no hydrogen 2.828 N/A SER 658.A OG ASP 641.A OD2 no hydrogen 2.651 N/A MET 659.A N LEU 656.A O no hydrogen 3.027 N/A GLN 660.A N THR 657.A O no hydrogen 3.223 N/A GLN 660.A NE2 LEU 656.A O no hydrogen 3.053 N/A