Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8thm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N THR 5.A OG1 no hydrogen 3.413 N/A MET 1.A N ASP 326.A OD2 no hydrogen 3.198 N/A HIS 2.A N ASP 326.A OD2 no hydrogen 2.665 N/A HIS 2.A NE2 THR 282.A OG1 no hydrogen 3.045 N/A LEU 4.A N HIS 2.A ND1 no hydrogen 3.022 N/A THR 5.A N HIS 2.A O no hydrogen 2.771 N/A THR 5.A OG1 HIS 2.A O no hydrogen 3.569 N/A ASP 6.A N SER 323.A OG no hydrogen 2.682 N/A ALA 9.A N ASP 6.A OD1 no hydrogen 3.162 N/A ASN 10.A N ASP 6.A O no hydrogen 2.880 N/A ASN 10.A ND2 SER 323.A O no hydrogen 2.971 N/A ASN 10.A ND2 GLN 330.A OE1.A no hydrogen 2.888 N/A ASP 11.A N ALA 7.A O no hydrogen 3.026 N/A ALA 12.A N SER 8.A O no hydrogen 3.195 N/A LEU 13.A N ALA 9.A O no hydrogen 3.099 N/A HIS 14.A N ASN 10.A O no hydrogen 2.894 N/A ALA 15.A N ASP 11.A O no hydrogen 2.928 N/A TYR 16.A N ALA 12.A O no hydrogen 3.096 N/A ASP 17.A N LEU 13.A O no hydrogen 3.077 N/A THR 18.A N HIS 14.A O no hydrogen 2.879 N/A THR 18.A OG1 HIS 14.A O no hydrogen 3.034 N/A ALA 19.A N ALA 15.A O no hydrogen 2.834 N/A VAL 20.A N TYR 16.A O no hydrogen 2.969 N/A LYS 21.A N ASP 17.A O no hydrogen 3.065 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 3.064 N/A LYS 21.A NZ ARG 358.A O no hydrogen 2.644 N/A LEU 22.A N THR 18.A O no hydrogen 2.936 N/A ALA 23.A N ALA 19.A O no hydrogen 3.100 N/A PHE 24.A N VAL 20.A O no hydrogen 3.338 N/A ASP 25.A N LYS 21.A O no hydrogen 2.831 N/A ARG 26.A NE GLU 54.A O no hydrogen 2.849 N/A ARG 26.A NH2 GLU 54.A O no hydrogen 3.568 N/A ILE 27.A N PHE 24.A O no hydrogen 3.520 N/A VAL 30.A N ARG 26.A O no hydrogen 3.301 N/A LEU 31.A N ILE 27.A O no hydrogen 2.889 N/A LYS 32.A N VAL 28.A O no hydrogen 2.782 N/A ARG 33.A N PRO 29.A O no hydrogen 3.124 N/A LEU 34.A N VAL 30.A O no hydrogen 3.039 N/A SER 35.A N LEU 31.A O no hydrogen 3.041 N/A ALA 36.A N LYS 32.A O no hydrogen 3.386 N/A LEU 37.A N LEU 34.A O no hydrogen 3.087 N/A GLN 38.A N SER 35.A O no hydrogen 3.401 N/A GLN 38.A NE2 SER 35.A O no hydrogen 2.975 N/A GLU 40.A N LEU 37.A O no hydrogen 2.830 N/A PHE 43.A N GLU 40.A O no hydrogen 3.238 N/A ARG 46.A N ASP 42.A O no hydrogen 2.892 N/A ALA 47.A N PHE 43.A O no hydrogen 2.838 N/A GLN 48.A N VAL 44.A O no hydrogen 3.105 N/A GLN 48.A NE2 LEU 59.A O no hydrogen 3.054 N/A ALA 49.A N GLY 45.A O no hydrogen 3.006 N/A ILE 50.A N ARG 46.A O no hydrogen 3.098 N/A ALA 51.A N ALA 47.A O no hydrogen 2.886 N/A LEU 52.A N GLN 48.A O no hydrogen 3.127 N/A GLU 53.A N ALA 49.A O no hydrogen 2.901 N/A GLU 54.A N ILE 50.A O no hydrogen 2.905 N/A LEU 55.A N ALA 51.A O no hydrogen 2.821 N/A GLY 56.A N LEU 52.A O no hydrogen 3.201 N/A LEU 59.A N GLN 48.A OE1 no hydrogen 3.050 N/A ILE 63.A N PRO 60.A O no hydrogen 2.929 N/A LEU 64.A N PRO 60.A O no hydrogen 3.439 N/A ASP 65.A N GLU 61.A O no hydrogen 2.749 N/A THR 66.A N PRO 62.A O no hydrogen 3.202 N/A THR 66.A N ILE 63.A O no hydrogen 3.304 N/A THR 66.A OG1 PRO 62.A O no hydrogen 2.912 N/A THR 66.A OG1 ILE 63.A O no hydrogen 3.380 N/A ALA 67.A N LEU 64.A O no hydrogen 3.443 N/A VAL 69.A N THR 66.A O no hydrogen 2.895 N/A LEU 72.A N GLN 38.A OE1 no hydrogen 2.898 N/A ARG 75.A NH1 GLN 434.A O no hydrogen 2.999 N/A THR 76.A N ASP 73.A OD1 no hydrogen 3.253 N/A THR 76.A OG1 ASP 73.A OD2 no hydrogen 2.497 N/A LEU 77.A N ASP 73.A O no hydrogen 3.019 N/A TYR 78.A N MET 74.A O no hydrogen 2.719 N/A ALA 79.A N ARG 75.A O no hydrogen 3.063 N/A TRP 80.A N THR 76.A O no hydrogen 2.794 N/A CYS 81.A N LEU 77.A O no hydrogen 2.833 N/A CYS 81.A SG LEU 77.A O no hydrogen 3.415 N/A VAL 82.A N TYR 78.A O no hydrogen 2.943 N/A PHE 83.A N ALA 79.A O no hydrogen 2.913 N/A GLU 84.A N TRP 80.A O no hydrogen 2.890 N/A THR 85.A N CYS 81.A O no hydrogen 2.838 N/A THR 85.A OG1 CYS 81.A O no hydrogen 2.682 N/A TYR 86.A N VAL 82.A O no hydrogen 2.833 N/A GLU 87.A N.A PHE 83.A O no hydrogen 2.899 N/A GLU 87.A N.B PHE 83.A O no hydrogen 2.895 N/A GLN 88.A N GLU 84.A O no hydrogen 2.914 N/A THR 89.A N THR 85.A O no hydrogen 2.935 N/A THR 89.A OG1 THR 85.A O no hydrogen 2.623 N/A THR 89.A OG1 TYR 86.A O no hydrogen 2.972 N/A SER 90.A N TYR 86.A O no hydrogen 2.789 N/A SER 90.A OG GLU 354.A OE1 no hydrogen 2.931 N/A GLU 91.A N GLU 87.A O.A no hydrogen 3.058 N/A GLU 91.A N GLU 87.A O.B no hydrogen 3.077 N/A ALA 92.A N GLN 88.A O no hydrogen 3.000 N/A PHE 93.A N THR 89.A O no hydrogen 2.920 N/A PHE 94.A N SER 90.A O no hydrogen 3.320 N/A ARG 95.A N GLU 91.A O no hydrogen 3.084 N/A ARG 95.A NE ASP 96.A OD1 no hydrogen 2.920 N/A ARG 95.A NH2 ASP 96.A OD2 no hydrogen 3.003 N/A ASP 96.A N ALA 92.A O no hydrogen 2.709 N/A ASP 97.A N PHE 93.A O no hydrogen 3.105 N/A GLN 100.A N ASP 97.A O no hydrogen 2.917 N/A GLY 101.A N ASP 97.A OD1 no hydrogen 3.071 N/A GLN 102.A N ASP 97.A OD2 no hydrogen 2.966 N/A SER 105.A N GLN 102.A O no hydrogen 2.850 N/A SER 105.A OG GLN 100.A O no hydrogen 3.424 N/A SER 105.A OG GLN 102.A O no hydrogen 3.106 N/A SER 107.A OG GLN 100.A O no hydrogen 3.064 N/A ALA 108.A N SER 105.A OG no hydrogen 3.151 N/A GLU 109.A N SER 105.A O no hydrogen 3.006 N/A ALA 110.A N PRO 106.A O no hydrogen 2.968 N/A PHE 111.A N SER 107.A O no hydrogen 2.988 N/A ASP 112.A N ALA 108.A O no hydrogen 3.102 N/A ARG 113.A N GLU 109.A O no hydrogen 3.161 N/A PHE 114.A N ALA 110.A O no hydrogen 2.894 N/A LEU 115.A N PHE 111.A O no hydrogen 2.821 N/A LEU 116.A N ASP 112.A O no hydrogen 3.130 N/A ASP 117.A N ARG 113.A O no hydrogen 2.807 N/A CYS 118.A N PHE 114.A O no hydrogen 2.976 N/A CYS 118.A N LEU 115.A O no hydrogen 3.061 N/A CYS 118.A SG PHE 114.A O no hydrogen 3.555 N/A GLY 119.A N LEU 116.A O no hydrogen 2.877 N/A PHE 120.A N LEU 115.A O no hydrogen 3.082 N/A HIS 121.A N ARG 188.A O no hydrogen 3.179 N/A HIS 121.A ND1 THR 187.A OG1 no hydrogen 2.626 N/A ASP 124.A N LEU 190.A O no hydrogen 2.943 N/A ILE 125.A N ARG 149.A O no hydrogen 2.826 N/A THR 126.A N VAL 192.A O no hydrogen 2.866 N/A THR 126.A OG1 ARG 151.A O no hydrogen 3.042 N/A CYS 128.A N LEU 194.A O no hydrogen 3.138 N/A CYS 128.A SG HIS 153.A O no hydrogen 3.965 N/A CYS 128.A SG HIS 196.A NE2 no hydrogen 3.811 N/A ALA 129.A N HIS 153.A O no hydrogen 2.838 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.841 N/A ARG 132.A NE ASP 130.A OD1 no hydrogen 2.816 N/A ARG 132.A NH1 GLU 205.A O no hydrogen 2.978 N/A ARG 132.A NH1 ALA 339.A O no hydrogen 2.919 N/A ARG 132.A NH2 ASP 130.A OD2 no hydrogen 2.833 N/A ARG 132.A NH2 GLU 205.A O no hydrogen 3.378 N/A ARG 132.A NH2 GLY 206.A O no hydrogen 3.499 N/A LEU 133.A N ASP 130.A O no hydrogen 2.841 N/A HIS 135.A N HIS 135.A ND1 no hydrogen 3.043 N/A HIS 135.A NE2 ASP 254.A OD1 no hydrogen 3.148 N/A HIS 135.A NE2 ASP 254.A OD2 no hydrogen 2.989 N/A ALA 136.A N LEU 133.A O no hydrogen 2.725 N/A PHE 139.A N HIS 135.A O no hydrogen 2.802 N/A GLY 140.A N HIS 135.A O no hydrogen 3.342 N/A LEU 141.A N ALA 136.A O no hydrogen 2.873 N/A ARG 142.A NE PHE 139.A O no hydrogen 2.608 N/A ARG 142.A NH1 ASN 10.A OD1 no hydrogen 2.872 N/A ARG 142.A NH2 ASN 10.A OD1 no hydrogen 2.579 N/A ARG 142.A NH2 GLN 324.A OE1 no hydrogen 2.759 N/A LEU 143.A N ILE 137.A O no hydrogen 2.877 N/A SER 146.A N GLY 101.A O no hydrogen 3.211 N/A SER 146.A OG GLY 101.A O no hydrogen 2.761 N/A SER 147.A N PRO 144.A O no hydrogen 2.863 N/A SER 147.A OG ASP 112.A OD1 no hydrogen 3.228 N/A VAL 148.A N PHE 145.A O no hydrogen 3.365 N/A ARG 149.A N LEU 123.A O no hydrogen 2.994 N/A ARG 150.A NH1 ILE 355.A O no hydrogen 3.073 N/A ARG 150.A NH2 ILE 355.A O no hydrogen 2.875 N/A ARG 151.A N ILE 125.A O no hydrogen 2.861 N/A HIS 153.A N PRO 127.A O no hydrogen 3.406 N/A ALA 156.A N HIS 153.A O no hydrogen 2.911 N/A LEU 157.A N ALA 154.A O no hydrogen 3.369 N/A ASN 162.A N ASP 159.A OD1 no hydrogen 2.702 N/A THR 163.A N ASP 159.A O no hydrogen 3.067 N/A THR 163.A OG1 ASP 159.A O no hydrogen 2.790 N/A VAL 164.A N VAL 160.A O no hydrogen 3.000 N/A ASN 165.A N GLU 161.A O no hydrogen 2.987 N/A ARG 166.A N ASN 162.A O no hydrogen 2.752 N/A ARG 166.A NH2 ASP 124.A OD2 no hydrogen 2.837 N/A TRP 167.A N THR 163.A O no hydrogen 2.750 N/A VAL 168.A N VAL 164.A O no hydrogen 2.808 N/A LYS 169.A N ASN 165.A O no hydrogen 2.842 N/A THR 170.A N ARG 166.A O no hydrogen 2.822 N/A THR 170.A OG1 ARG 166.A O no hydrogen 2.845 N/A GLU 171.A N TRP 167.A O no hydrogen 2.895 N/A HIS 172.A N VAL 168.A O no hydrogen 2.849 N/A ARG 173.A N LYS 169.A O no hydrogen 3.025 N/A ARG 173.A NE GLU 177.A OE1 no hydrogen 3.213 N/A ARG 173.A NH2 GLU 177.A OE2 no hydrogen 3.323 N/A ARG 174.A N THR 170.A O no hydrogen 3.087 N/A ARG 174.A NE ASN 181.A OD1 no hydrogen 2.889 N/A ARG 174.A NH1 GLU 171.A OE1 no hydrogen 3.048 N/A ARG 174.A NH2 ASN 181.A OD1 no hydrogen 3.376 N/A ARG 174.A NH2 ALA 185.A O no hydrogen 3.294 N/A TYR 175.A N GLU 171.A O no hydrogen 2.940 N/A ARG 176.A N HIS 172.A O no hydrogen 2.971 N/A GLU 177.A N ARG 173.A O no hydrogen 3.003 N/A ALA 178.A N ARG 174.A O no hydrogen 3.070 N/A ASN 181.A ND2 THR 187.A OG1 no hydrogen 3.049 N/A ALA 185.A N PRO 182.A O no hydrogen 3.139 N/A THR 187.A OG1 HIS 121.A ND1 no hydrogen 2.626 N/A ARG 188.A N GLY 119.A O no hydrogen 3.035 N/A ARG 188.A NH2.B THR 187.A O no hydrogen 3.308 N/A TYR 189.A OH ASP 124.A OD2 no hydrogen 2.542 N/A LEU 190.A N LEU 122.A O no hydrogen 2.935 N/A LYS 191.A N ASP 243.A O no hydrogen 3.012 N/A LYS 191.A NZ ASP 124.A OD1 no hydrogen 2.620 N/A LYS 191.A NZ THR 126.A OG1 no hydrogen 2.780 N/A VAL 192.A N ASP 124.A O no hydrogen 2.757 N/A ALA 193.A N LEU 245.A O no hydrogen 3.127 N/A LEU 194.A N THR 126.A O no hydrogen 2.882 N/A TYR 195.A N MET 247.A O no hydrogen 2.795 N/A TYR 195.A OH HIS 259.A NE2 no hydrogen 2.798 N/A PHE 197.A N ILE 249.A O no hydrogen 3.353 N/A SER 198.A OG ASP 252.A OD2 no hydrogen 2.477 N/A SER 199.A N ASP 250.A OD1 no hydrogen 2.881 N/A SER 199.A OG ASP 250.A OD1 no hydrogen 3.406 N/A SER 199.A OG ASP 250.A OD2 no hydrogen 2.506 N/A LEU 200.A N ASP 252.A OD2 no hydrogen 2.918 N/A ASP 201.A N SER 198.A OG no hydrogen 3.002 N/A HIS 204.A N ASP 201.A O no hydrogen 3.229 N/A HIS 204.A ND1 ASP 201.A OD1 no hydrogen 2.704 N/A GLU 205.A N ASP 201.A O no hydrogen 2.979 N/A GLY 206.A N SER 212.A OG no hydrogen 2.755 N/A HIS 210.A N CYS 207.A O no hydrogen 3.202 N/A HIS 210.A NE2 GLY 155.A O no hydrogen 2.973 N/A GLY 211.A N ALA 208.A O no hydrogen 3.221 N/A SER 212.A N CYS 207.A O no hydrogen 2.623 N/A SER 212.A OG PRO 202.A O no hydrogen 2.770 N/A ASP 213.A N HIS 210.A O no hydrogen 3.195 N/A LEU 216.A N ASP 213.A OD1 no hydrogen 3.187 N/A ALA 217.A N ASP 213.A O no hydrogen 2.945 N/A ALA 218.A N ASP 214.A O no hydrogen 2.990 N/A SER 219.A N ALA 215.A O no hydrogen 2.824 N/A CYS 220.A N LEU 216.A O no hydrogen 2.841 N/A CYS 220.A SG LEU 216.A O no hydrogen 3.384 N/A GLY 221.A N ALA 217.A O no hydrogen 2.973 N/A LEU 222.A N ALA 218.A O no hydrogen 2.887 N/A SER 223.A N SER 219.A O no hydrogen 3.202 N/A ARG 224.A N CYS 220.A O no hydrogen 3.213 N/A ARG 224.A NH1 PHE 158.A O no hydrogen 2.797 N/A LEU 225.A N GLY 221.A O no hydrogen 3.160 N/A LYS 226.A N LEU 222.A O no hydrogen 2.958 N/A ASP 227.A N SER 223.A O no hydrogen 2.989 N/A PHE 228.A N ARG 224.A O no hydrogen 2.858 N/A GLN 229.A N LEU 225.A O no hydrogen 2.962 N/A GLN 229.A NE2 VAL 242.A O no hydrogen 3.117 N/A GLN 230.A N LYS 226.A O no hydrogen 2.891 N/A ALA 231.A N ASP 227.A O no hydrogen 2.807 N/A VAL 232.A N PHE 228.A O no hydrogen 3.112 N/A GLU 233.A N GLN 229.A O no hydrogen 2.942 N/A ASN 234.A N GLN 230.A O no hydrogen 2.815 N/A SER 235.A N ALA 231.A O no hydrogen 3.002 N/A SER 235.A N VAL 232.A O no hydrogen 3.131 N/A SER 235.A OG ALA 231.A O no hydrogen 2.759 N/A SER 241.A OG GLU 233.A OE2 no hydrogen 3.045 N/A SER 241.A OG VAL 242.A O no hydrogen 3.307 N/A ASP 243.A N TYR 189.A O no hydrogen 2.881 N/A LEU 245.A N LYS 191.A O no hydrogen 3.215 N/A MET 247.A N ALA 193.A O no hydrogen 3.061 N/A GLY 248.A N ARG 257.A O no hydrogen 2.872 N/A ILE 249.A N TYR 195.A O no hydrogen 3.161 N/A ASP 250.A N ALA 255.A O no hydrogen 2.894 N/A THR 251.A N PHE 197.A O no hydrogen 2.918 N/A THR 251.A OG1 PHE 197.A O no hydrogen 3.262 N/A ASP 252.A N ASP 250.A OD1 no hydrogen 2.957 N/A THR 253.A N ASP 250.A O no hydrogen 3.216 N/A THR 253.A OG1 ASP 250.A OD2 no hydrogen 2.964 N/A ASP 254.A N ASP 250.A O no hydrogen 2.587 N/A ALA 255.A N THR 253.A OG1 no hydrogen 3.357 N/A ILE 256.A N ASN 321.A OD1 no hydrogen 2.774 N/A ARG 257.A N GLY 248.A O no hydrogen 2.880 N/A ARG 257.A NE TYR 195.A OH no hydrogen 2.978 N/A ARG 257.A NH2 TYR 195.A OH no hydrogen 3.273 N/A VAL 258.A N LEU 273.A O no hydrogen 2.941 N/A HIS 259.A N LEU 246.A O no hydrogen 2.872 N/A HIS 259.A ND1 ARG 268.A O no hydrogen 3.016 N/A HIS 259.A NE2 TYR 195.A OH no hydrogen 2.798 N/A GLY 262.A N SER 266.A O no hydrogen 2.903 N/A MET 263.A N VAL 305.A O no hydrogen 3.038 N/A GLY 265.A N GLY 262.A O no hydrogen 2.872 N/A SER 266.A N ASP 264.A OD1 no hydrogen 3.280 N/A SER 266.A OG ASP 264.A OD1 no hydrogen 2.597 N/A SER 266.A OG ASP 264.A OD2 no hydrogen 2.591 N/A SER 266.A OG SER 304.A OG no hydrogen 3.414 N/A THR 267.A OG1 GLY 265.A O no hydrogen 2.972 N/A ARG 271.A NE ASP 270.A OD1 no hydrogen 3.466 N/A LEU 273.A N VAL 258.A O no hydrogen 2.923 N/A ALA 275.A N ILE 256.A O no hydrogen 2.732 N/A ARG 276.A N.A ASP 274.A OD1 no hydrogen 2.698 N/A ARG 276.A N.B ASP 274.A OD1 no hydrogen 2.694 N/A ASP 277.A N ASP 274.A O no hydrogen 2.884 N/A VAL 278.A N ASP 274.A O no hydrogen 3.036 N/A TYR 279.A N ALA 275.A O no hydrogen 2.683 N/A TYR 279.A OH ASP 326.A OD1 no hydrogen 2.526 N/A TYR 279.A OH ASP 326.A OD2 no hydrogen 3.348 N/A ASP 280.A N ARG 276.A O.A no hydrogen 3.062 N/A ASP 280.A N ARG 276.A O.B no hydrogen 2.965 N/A ALA 281.A N ASP 277.A O no hydrogen 3.007 N/A THR 282.A N VAL 278.A O no hydrogen 3.119 N/A THR 282.A N TYR 279.A O no hydrogen 3.093 N/A THR 282.A OG1 HIS 2.A NE2 no hydrogen 3.045 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.684 N/A THR 282.A OG1 TYR 279.A O no hydrogen 3.211 N/A LEU 283.A N ASP 280.A O no hydrogen 3.397 N/A ALA 290.A N PRO 286.A O no hydrogen 2.852 N/A ARG 291.A N PRO 287.A O no hydrogen 3.102 N/A ARG 291.A NE GLU 319.A OE1 no hydrogen 2.802 N/A GLN 292.A N ASP 288.A O no hydrogen 3.455 N/A ARG 293.A N GLN 289.A O no hydrogen 2.896 N/A VAL 294.A N ALA 290.A O no hydrogen 2.873 N/A SER 295.A N ARG 291.A O no hydrogen 2.892 N/A SER 295.A OG ARG 291.A O no hydrogen 3.522 N/A ALA 296.A N GLN 292.A O no hydrogen 2.829 N/A LEU 297.A N ARG 293.A O no hydrogen 2.944 N/A VAL 298.A N VAL 294.A O no hydrogen 2.888 N/A GLN 299.A N SER 295.A O no hydrogen 2.814 N/A GLU 300.A N ALA 296.A O no hydrogen 2.875 N/A ALA 301.A N LEU 297.A O no hydrogen 2.966 N/A ALA 301.A N VAL 298.A O no hydrogen 3.116 N/A ALA 302.A N GLN 299.A O no hydrogen 3.258 N/A ALA 303.A N VAL 260.A O no hydrogen 3.101 N/A VAL 311.A N ASP 307.A O no hydrogen 2.993 N/A THR 312.A N PRO 308.A O no hydrogen 2.893 N/A THR 312.A OG1 PRO 308.A O no hydrogen 3.267 N/A LEU 313.A N GLY 309.A O no hydrogen 2.905 N/A VAL 314.A N MET 310.A O no hydrogen 2.791 N/A ALA 315.A N VAL 311.A O no hydrogen 2.851 N/A ARG 316.A N THR 312.A O no hydrogen 3.112 N/A LEU 317.A N LEU 313.A O no hydrogen 3.074 N/A PHE 318.A N VAL 314.A O no hydrogen 3.038 N/A GLU 319.A N ALA 315.A O no hydrogen 2.974 N/A HIS 320.A N ARG 316.A O no hydrogen 3.013 N/A HIS 320.A ND1 LEU 141.A O no hydrogen 2.815 N/A ASN 321.A N LEU 317.A O no hydrogen 2.806 N/A ASN 321.A ND2 GLY 140.A O no hydrogen 2.720 N/A ASN 321.A ND2 ASP 254.A O no hydrogen 2.929 N/A ILE 322.A N PHE 318.A O no hydrogen 2.917 N/A SER 323.A N HIS 320.A O no hydrogen 2.782 N/A GLN 324.A N HIS 320.A O no hydrogen 3.456 N/A GLN 324.A NE2 ASP 254.A OD2 no hydrogen 2.872 N/A ILE 325.A N ASN 321.A O no hydrogen 2.812 N/A ASP 326.A N ILE 322.A O no hydrogen 3.063 N/A TYR 327.A N SER 323.A O no hydrogen 2.899 N/A VAL 328.A N GLN 324.A O no hydrogen 3.044 N/A ARG 329.A N ILE 325.A O no hydrogen 3.089 N/A GLN 330.A N.A ASP 326.A O no hydrogen 2.716 N/A GLN 330.A N.B ASP 326.A O no hydrogen 2.740 N/A PHE 331.A N TYR 327.A O no hydrogen 2.854 N/A HIS 332.A N VAL 328.A O no hydrogen 2.879 N/A GLY 333.A N ARG 329.A O no hydrogen 2.974 N/A GLY 334.A N VAL 328.A O no hydrogen 3.237 N/A TYR 336.A N ASP 252.A O no hydrogen 2.944 N/A TYR 336.A OH ASP 254.A OD2 no hydrogen 2.424 N/A ASP 338.A N ASP 338.A OD1 no hydrogen 2.420 N/A HIS 341.A ND1 GLU 343.A OE1 no hydrogen 2.801 N/A ALA 342.A N ASN 359.A OD1 no hydrogen 2.952 N/A GLU 343.A N GLU 343.A OE2 no hydrogen 2.898 N/A ARG 344.A N LEU 360.A O no hydrogen 2.857 N/A ARG 344.A NE ASP 25.A OD1 no hydrogen 3.524 N/A ARG 344.A NH1 ASN 359.A O no hydrogen 2.752 N/A ARG 344.A NH2 ASP 25.A OD1 no hydrogen 3.464 N/A ARG 344.A NH2 ASP 25.A OD2 no hydrogen 3.532 N/A PHE 345.A N LEU 360.A O no hydrogen 3.482 N/A ILE 346.A N PRO 395.A O no hydrogen 2.882 N/A GLY 347.A N TYR 362.A O no hydrogen 2.751 N/A VAL 348.A N VAL 397.A O no hydrogen 2.964 N/A GLY 349.A N ALA 364.A O no hydrogen 3.200 N/A ILE 350.A N ARG 399.A O no hydrogen 2.914 N/A GLU 354.A N GLU 354.A OE2 no hydrogen 2.658 N/A ILE 355.A N PHE 352.A O no hydrogen 3.264 N/A HIS 356.A NE2 LYS 353.A O no hydrogen 3.060 N/A ARG 358.A NH1 THR 251.A O no hydrogen 2.989 N/A ARG 358.A NH1 ASP 338.A O no hydrogen 3.382 N/A ARG 358.A NH2 ASP 338.A O no hydrogen 3.146 N/A ASN 359.A N GLY 131.A O no hydrogen 2.918 N/A ASN 359.A ND2 ASP 338.A OD2 no hydrogen 3.034 N/A ASN 359.A ND2 GLY 340.A O no hydrogen 2.931 N/A TYR 362.A N PHE 345.A O no hydrogen 2.991 N/A ALA 364.A N GLY 347.A O no hydrogen 2.930 N/A MET 366.A N GLY 349.A O no hydrogen 2.884 N/A GLU 371.A N THR 368.A O no hydrogen 3.172 N/A GLY 372.A N THR 368.A O no hydrogen 3.222 N/A LEU 376.A N GLY 372.A O no hydrogen 3.106 N/A ASP 377.A N ALA 373.A O no hydrogen 2.901 N/A VAL 378.A N ALA 374.A O no hydrogen 3.234 N/A VAL 378.A N ASP 375.A O no hydrogen 3.193 N/A GLY 379.A N ASP 375.A O no hydrogen 3.390 N/A VAL 380.A N LEU 376.A O no hydrogen 2.785 N/A LYS 381.A N ASP 377.A O no hydrogen 2.823 N/A ILE 382.A N VAL 378.A O no hydrogen 2.885 N/A PHE 383.A N GLY 379.A O no hydrogen 2.829 N/A LYS 384.A N VAL 380.A O no hydrogen 2.917 N/A GLY 385.A N LYS 381.A O no hydrogen 3.432 N/A LEU 386.A N ILE 382.A O no hydrogen 2.893 N/A ASN 387.A N PHE 383.A O no hydrogen 2.827 N/A ASN 387.A ND2 PRO 393.A O no hydrogen 3.033 N/A VAL 388.A N PHE 383.A O no hydrogen 3.140 N/A SER 389.A N LYS 384.A O no hydrogen 2.824 N/A SER 389.A OG LYS 384.A O no hydrogen 3.292 N/A SER 389.A OG GLY 385.A O no hydrogen 2.281 N/A ARG 390.A N ASN 387.A O no hydrogen 2.937 N/A ARG 390.A NE LEU 386.A O no hydrogen 3.122 N/A GLY 391.A N VAL 388.A O no hydrogen 3.072 N/A LEU 392.A N ASN 387.A O no hydrogen 2.894 N/A VAL 394.A N LEU 436.A O no hydrogen 2.818 N/A VAL 396.A N HIS 438.A O no hydrogen 2.842 N/A VAL 397.A N ILE 346.A O no hydrogen 2.740 N/A VAL 398.A N LEU 440.A O no hydrogen 2.830 N/A ARG 399.A N VAL 348.A O no hydrogen 2.759 N/A ARG 399.A NE THR 442.A OG1 no hydrogen 2.911 N/A ARG 399.A NH1 GLU 354.A OE2 no hydrogen 3.057 N/A ARG 399.A NH2 TYR 86.A OH no hydrogen 2.625 N/A ARG 399.A NH2 GLU 354.A OE1 no hydrogen 2.811 N/A ARG 399.A NH2 GLU 354.A OE2 no hydrogen 3.488 N/A PHE 400.A N THR 442.A O no hydrogen 3.279 N/A TYR 402.A N ARG 444.A O no hydrogen 3.023 N/A TYR 402.A OH GLU 453.A OE1 no hydrogen 3.162 N/A HIS 403.A ND1 ASP 447.A OD1 no hydrogen 2.719 N/A GLY 404.A N ASP 445.A OD1 no hydrogen 3.039 N/A GLN 405.A N ASP 447.A OD2 no hydrogen 3.014 N/A VAL 406.A N HIS 403.A O no hydrogen 2.903 N/A ALA 409.A N VAL 406.A O no hydrogen 2.974 N/A ARG 410.A NE GLU 453.A OE2 no hydrogen 2.952 N/A ARG 410.A NH2 GLU 453.A OE2 no hydrogen 2.831 N/A ASP 411.A N GLY 408.A O no hydrogen 3.127 N/A ARG 412.A N GLY 408.A O no hydrogen 3.058 N/A ALA 413.A N ALA 409.A O no hydrogen 2.968 N/A VAL 414.A N ARG 410.A O no hydrogen 3.100 N/A ARG 415.A N.A ASP 411.A O no hydrogen 2.865 N/A ARG 415.A N.B ASP 411.A O no hydrogen 2.896 N/A HIS 416.A N ARG 412.A O no hydrogen 2.830 N/A CYS 417.A N ALA 413.A O no hydrogen 2.901 N/A CYS 417.A SG ALA 413.A O no hydrogen 3.491 N/A CYS 417.A SG THR 442.A O no hydrogen 3.512 N/A GLN 418.A N VAL 414.A O no hydrogen 2.974 N/A ARG 419.A N ARG 415.A O.A no hydrogen 2.957 N/A ARG 419.A N ARG 415.A O.B no hydrogen 3.060 N/A VAL 420.A N HIS 416.A O no hydrogen 3.045 N/A GLN 421.A N CYS 417.A O no hydrogen 2.909 N/A GLN 421.A NE2 GLU 425.A OE1 no hydrogen 2.861 N/A THR 422.A N GLN 418.A O no hydrogen 3.022 N/A THR 422.A OG1 GLN 418.A O no hydrogen 3.170 N/A ALA 423.A N ARG 419.A O no hydrogen 3.103 N/A ILE 424.A N VAL 420.A O no hydrogen 2.970 N/A GLU 425.A N GLN 421.A O no hydrogen 3.106 N/A SER 426.A N THR 422.A O no hydrogen 3.282 N/A SER 426.A OG THR 422.A O no hydrogen 3.372 N/A ARG 427.A N ALA 423.A O no hydrogen 2.777 N/A ARG 427.A N ILE 424.A O no hydrogen 2.889 N/A ARG 427.A NE ASP 377.A OD1 no hydrogen 3.378 N/A ARG 427.A NH2 ASP 377.A OD2 no hydrogen 2.856 N/A TYR 428.A N ILE 424.A O no hydrogen 2.937 N/A TYR 428.A OH ASP 377.A OD1 no hydrogen 2.526 N/A PHE 432.A N TYR 428.A O no hydrogen 3.105 N/A GLN 433.A N PRO 429.A O no hydrogen 3.100 N/A GLN 434.A N GLU 430.A O no hydrogen 3.115 N/A GLY 435.A N PHE 432.A O no hydrogen 2.983 N/A LEU 436.A N LEU 431.A O no hydrogen 2.696 N/A HIS 438.A N VAL 394.A O no hydrogen 3.030 N/A HIS 438.A ND1 THR 458.A OG1 no hydrogen 2.930 N/A ALA 439.A N THR 458.A OG1 no hydrogen 2.929 N/A LEU 440.A N VAL 396.A O no hydrogen 2.897 N/A LEU 441.A N GLY 456.A O no hydrogen 2.727 N/A THR 442.A N VAL 398.A O no hydrogen 2.920 N/A THR 442.A OG1 VAL 398.A O no hydrogen 2.798 N/A VAL 443.A N GLU 453.A O no hydrogen 3.003 N/A ARG 444.A N PHE 400.A O no hydrogen 3.053 N/A ARG 444.A NE ASP 401.A OD1 no hydrogen 3.299 N/A ARG 444.A NH2 ASP 401.A OD2 no hydrogen 2.786 N/A GLN 446.A N TYR 402.A O no hydrogen 2.825 N/A ASP 447.A N ASP 445.A OD1 no hydrogen 2.783 N/A THR 450.A OG1 PRO 451.A O no hydrogen 3.115 N/A GLU 453.A N VAL 443.A O no hydrogen 2.842 N/A VAL 455.A N LEU 441.A O no hydrogen 2.648 N/A SER 457.A OG ILE 459.A O no hydrogen 3.520 N/A THR 458.A N ALA 439.A O no hydrogen 3.032 N/A THR 458.A OG1 HIS 438.A ND1 no hydrogen 2.930 N/A THR 458.A OG1 ALA 439.A O no hydrogen 3.363 N/A ILE 459.A N SER 457.A OG no hydrogen 2.936 N/A