Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ghd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N HIS 50.A O no hydrogen 2.879 N/A ARG 4.A N GLN 83.A O no hydrogen 2.962 N/A ILE 5.A N PHE 48.A O no hydrogen 2.904 N/A ARG 6.A N THR 81.A O no hydrogen 2.839 N/A VAL 7.A N GLU 46.A O no hydrogen 2.839 N/A ALA 8.A N ARG 79.A O no hydrogen 2.819 N/A THR 9.A OG1 GLU 46.A OE2 no hydrogen 3.510 N/A ALA 11.A N PHE 76.A O no hydrogen 2.965 N/A LEU 13.A N ALA 74.A O no hydrogen 2.875 N/A SER 15.A N ASP 73.A OD1 no hydrogen 2.540 N/A SER 15.A OG ASP 73.A OD1 no hydrogen 3.442 N/A ASN 19.A ND2 ASP 73.A OD2 no hydrogen 2.406 N/A ARG 20.A NE HIS 67.A ND1 no hydrogen 3.694 N/A VAL 21.A N LEU 36.A O no hydrogen 2.899 N/A GLN 22.A N ARG 65.A O no hydrogen 2.854 N/A GLN 22.A NE2 GLU 33.A OE2 no hydrogen 3.169 N/A LEU 23.A N LEU 34.A O no hydrogen 2.924 N/A TRP 24.A N ARG 63.A O no hydrogen 2.861 N/A LEU 25.A N ALA 32.A O no hydrogen 2.874 N/A VAL 26.A N PHE 61.A O no hydrogen 2.903 N/A GLY 27.A N GLY 30.A O no hydrogen 2.681 N/A THR 28.A N LEU 58.A O no hydrogen 2.989 N/A ARG 29.A N LEU 56.A O no hydrogen 3.233 N/A ARG 29.A NE ASP 55.A OD2 no hydrogen 2.827 N/A ARG 29.A NH2 ASP 55.A OD1 no hydrogen 3.262 N/A ARG 29.A NH2 ASP 55.A OD2 no hydrogen 2.774 N/A ALA 32.A N LEU 25.A O no hydrogen 2.920 N/A LEU 34.A N LEU 23.A O no hydrogen 2.822 N/A LEU 36.A N VAL 21.A O no hydrogen 2.857 N/A LEU 38.A N ASN 19.A O no hydrogen 3.149 N/A ARG 39.A N GLU 46.A OE1 no hydrogen 2.668 N/A GLU 46.A N VAL 7.A O no hydrogen 2.987 N/A HIS 50.A N TYR 3.A O no hydrogen 2.953 N/A VAL 52.A N GLY 1.A O no hydrogen 2.839 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.810 N/A GLY 57.A N ASP 55.A OD1 no hydrogen 3.282 N/A GLN 60.A N VAL 26.A O no hydrogen 2.811 N/A PHE 61.A N VAL 26.A O no hydrogen 2.928 N/A VAL 62.A N LEU 107.A O no hydrogen 2.925 N/A ARG 63.A N TRP 24.A O no hydrogen 2.900 N/A ARG 63.A NH1 SER 106.A OG no hydrogen 2.935 N/A LEU 64.A N LEU 105.A O no hydrogen 2.887 N/A ARG 65.A N GLN 22.A O no hydrogen 2.921 N/A LYS 66.A NZ VAL 99.A O no hydrogen 3.274 N/A LYS 66.A NZ GLY 101.A O no hydrogen 2.547 N/A HIS 67.A N ARG 20.A O no hydrogen 2.901 N/A HIS 67.A ND1 GLU 35.A OE2 no hydrogen 2.647 N/A TRP 69.A NE1 ARG 20.A O no hydrogen 2.382 N/A ASP 73.A N LEU 70.A O no hydrogen 3.261 N/A ALA 74.A N LEU 13.A O no hydrogen 2.943 N/A TRP 75.A NE1 THR 9.A OG1 no hydrogen 2.998 N/A PHE 76.A N ALA 11.A O no hydrogen 2.829 N/A CYS 77.A N ARG 97.A O no hydrogen 3.158 N/A CYS 77.A SG ALA 8.A O no hydrogen 3.671 N/A CYS 77.A SG ARG 79.A O no hydrogen 3.987 N/A ARG 79.A N ALA 8.A O no hydrogen 3.044 N/A ILE 80.A N PHE 93.A O no hydrogen 2.927 N/A THR 81.A N ARG 6.A O no hydrogen 2.916 N/A THR 81.A OG1 ARG 6.A O no hydrogen 3.558 N/A VAL 82.A N VAL 91.A O no hydrogen 2.898 N/A GLN 83.A N ARG 4.A O no hydrogen 2.845 N/A CYS 88.A SG GLY 86.A O no hydrogen 3.697 N/A VAL 91.A N VAL 82.A O no hydrogen 2.898 N/A PHE 93.A N ILE 80.A O no hydrogen 2.801 N/A CYS 95.A N ASP 78.A O no hydrogen 3.002 N/A CYS 95.A SG ARG 97.A O no hydrogen 3.912 N/A TYR 96.A N ASP 78.A O no hydrogen 2.867 N/A ARG 97.A N CYS 77.A O no hydrogen 3.421 N/A ARG 97.A NE CYS 95.A O no hydrogen 2.986 N/A ARG 97.A NH2 CYS 95.A O no hydrogen 3.564 N/A TRP 98.A N ASN 162.A OD1 no hydrogen 2.890 N/A VAL 99.A N TRP 75.A O no hydrogen 2.873 N/A LEU 105.A N LEU 64.A O no hydrogen 2.881 N/A LEU 107.A N VAL 62.A O no hydrogen 2.822 N/A GLY 110.A N ALA 92.A O no hydrogen 2.766 N/A THR 111.A N GLU 109.A OE1 no hydrogen 3.370 N/A THR 111.A OG1 GLU 109.A OE1 no hydrogen 3.234 N/A THR 111.A OG1 GLU 109.A OE2 no hydrogen 3.563 N/A THR 111.A OG1 SER 615.A OG no hydrogen 3.245 N/A ARG 113.A N LEU 381.A O no hydrogen 2.811 N/A ARG 113.A NH2 GLU 109.A O no hydrogen 2.972 N/A ARG 113.A NH2 GLU 109.A OE1 no hydrogen 3.131 N/A GLY 116.A N GLN 124.A OE1 no hydrogen 2.928 N/A LEU 120.A N ASN 118.A OD1 no hydrogen 3.306 N/A ASP 121.A N ASN 118.A O no hydrogen 3.397 N/A GLN 124.A N ASP 121.A OD2 no hydrogen 3.087 N/A GLN 124.A NE2 GLU 128.A OE2 no hydrogen 2.502 N/A LYS 125.A N ASP 121.A O no hydrogen 3.059 N/A LYS 125.A NZ ALA 119.A O no hydrogen 2.794 N/A HIS 126.A N MET 122.A O no hydrogen 2.904 N/A ARG 127.A N PHE 123.A O no hydrogen 2.868 N/A ARG 127.A NE GLU 493.A OE1 no hydrogen 3.222 N/A ARG 127.A NE GLU 493.A OE2 no hydrogen 2.989 N/A ARG 127.A NH1 ARG 113.A O no hydrogen 2.934 N/A ARG 127.A NH2 ARG 113.A O no hydrogen 2.657 N/A ARG 127.A NH2 GLU 493.A OE1 no hydrogen 3.085 N/A GLU 128.A N GLN 124.A O no hydrogen 2.976 N/A LYS 129.A N LYS 125.A O no hydrogen 2.952 N/A LYS 129.A NZ ASP 133.A OD2 no hydrogen 3.537 N/A GLU 130.A N HIS 126.A O no hydrogen 2.832 N/A LEU 131.A N ARG 127.A O no hydrogen 2.889 N/A LYS 132.A N GLU 128.A O no hydrogen 3.004 N/A LYS 132.A NZ GLU 128.A O no hydrogen 3.353 N/A ASP 133.A N LYS 129.A O no hydrogen 2.963 N/A ARG 134.A N GLU 130.A O no hydrogen 2.840 N/A ARG 134.A NH1 MET 375.A O no hydrogen 2.989 N/A ARG 134.A NH1 LEU 378.A O no hydrogen 2.618 N/A GLN 135.A N LEU 131.A O no hydrogen 2.888 N/A GLN 135.A NE2 ARG 376.A O no hydrogen 3.303 N/A GLN 136.A N LYS 132.A O no hydrogen 3.005 N/A GLN 136.A N ASP 133.A O no hydrogen 3.188 N/A ILE 137.A N ASP 133.A O no hydrogen 2.972 N/A TYR 138.A N ARG 134.A O no hydrogen 2.649 N/A CYS 139.A SG GLN 135.A O no hydrogen 3.915 N/A CYS 139.A SG GLN 136.A O no hydrogen 3.538 N/A TRP 140.A NE1 GLU 500.A OE2 no hydrogen 2.536 N/A ALA 141.A N THR 150.A O no hydrogen 2.572 N/A LEU 147.A N LYS 144.A O no hydrogen 3.373 N/A LEU 149.A N GLY 505.A O no hydrogen 2.797 N/A THR 150.A N ALA 141.A O no hydrogen 2.726 N/A THR 150.A OG1 ALA 141.A O no hydrogen 3.420 N/A THR 150.A OG1 ILE 151.A O no hydrogen 3.147 N/A ILE 151.A N GLU 368.A OE2 no hydrogen 3.130 N/A ALA 152.A N CYS 139.A O no hydrogen 2.682 N/A ARG 155.A N ASP 158.A OD2 no hydrogen 2.991 N/A ARG 155.A NH1 ASP 157.A OD2 no hydrogen 3.132 N/A ASP 158.A N ARG 155.A O no hydrogen 3.050 N/A LEU 159.A N LYS 156.A O no hydrogen 3.300 N/A MET 163.A N PRO 160.A O no hydrogen 3.115 N/A ARG 164.A N PRO 161.A O no hydrogen 3.237 N/A ARG 164.A NE GLU 397.A OE1 no hydrogen 3.247 N/A ARG 164.A NH1 ASP 157.A OD1 no hydrogen 3.494 N/A PHE 165.A N GLU 397.A OE1 no hydrogen 2.393 N/A HIS 166.A N TYR 394.A OH no hydrogen 3.287 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.754 N/A LYS 169.A NZ GLN 600.A OE1 no hydrogen 3.062 N/A LYS 169.A NZ THR 661.A O no hydrogen 2.961 N/A LYS 169.A NZ THR 661.A OG1 no hydrogen 3.038 N/A ARG 170.A N HIS 166.A O no hydrogen 2.932 N/A LEU 171.A N GLU 167.A O no hydrogen 2.913 N/A ASP 172.A N GLU 168.A O no hydrogen 2.930 N/A PHE 173.A N LYS 169.A O no hydrogen 2.873 N/A GLU 174.A N ARG 170.A O no hydrogen 2.956 N/A TRP 175.A N LEU 171.A O no hydrogen 2.891 N/A THR 176.A N ASP 172.A O no hydrogen 2.871 N/A THR 176.A OG1 ASP 172.A O no hydrogen 2.558 N/A THR 176.A OG1 PHE 173.A O no hydrogen 2.943 N/A LEU 177.A N PHE 173.A O no hydrogen 2.961 N/A LYS 178.A N GLU 174.A O no hydrogen 2.987 N/A LYS 178.A NZ GLU 174.A O no hydrogen 3.405 N/A ALA 179.A N TRP 175.A O no hydrogen 2.841 N/A GLY 180.A N THR 176.A O no hydrogen 2.902 N/A ALA 181.A N LEU 177.A O no hydrogen 2.959 N/A LEU 182.A N LYS 178.A O no hydrogen 2.894 N/A GLU 183.A N ALA 179.A O no hydrogen 2.914 N/A MET 184.A N GLY 180.A O no hydrogen 2.923 N/A ALA 185.A N ALA 181.A O no hydrogen 2.948 N/A LEU 186.A N LEU 182.A O no hydrogen 2.953 N/A LYS 187.A N GLU 183.A O no hydrogen 2.912 N/A LYS 187.A NZ GLU 183.A OE2 no hydrogen 3.323 N/A LYS 187.A NZ ILE 205.A O no hydrogen 3.013 N/A LYS 187.A NZ TRP 207.A O no hydrogen 3.110 N/A ARG 188.A N MET 184.A O no hydrogen 2.896 N/A VAL 189.A N ALA 185.A O no hydrogen 2.933 N/A TYR 190.A N LEU 186.A O no hydrogen 2.923 N/A THR 191.A N LYS 187.A O no hydrogen 3.072 N/A THR 191.A OG1 LYS 187.A O no hydrogen 3.196 N/A THR 191.A OG1 ARG 188.A O no hydrogen 3.197 N/A LEU 192.A N VAL 189.A O no hydrogen 3.274 N/A SER 194.A OG THR 191.A O no hydrogen 3.489 N/A SER 194.A OG GLN 204.A OE1 no hydrogen 2.640 N/A ASN 197.A N ASP 201.A OD2 no hydrogen 2.819 N/A CYS 198.A N ASP 201.A OD2 no hydrogen 3.303 N/A CYS 198.A SG ASN 197.A OD1 no hydrogen 4.046 N/A CYS 198.A SG ASP 201.A OD1 no hydrogen 3.356 N/A ASP 201.A N CYS 198.A O no hydrogen 3.139 N/A PHE 202.A N LEU 199.A O no hydrogen 3.006 N/A ASP 203.A N GLU 200.A O no hydrogen 2.934 N/A GLN 204.A N ASP 201.A O no hydrogen 2.976 N/A GLN 204.A NE2 SER 195.A O no hydrogen 3.455 N/A PHE 206.A N ASP 203.A O no hydrogen 3.390 N/A TRP 207.A N ILE 205.A O no hydrogen 2.911 N/A TRP 207.A NE1 GLN 204.A O no hydrogen 2.940 N/A GLN 209.A N TRP 207.A O no hydrogen 2.750 N/A SER 211.A OG ASP 548.A OD1 no hydrogen 2.501 N/A ALA 214.A N SER 211.A OG no hydrogen 3.215 N/A GLU 215.A N SER 211.A O no hydrogen 2.912 N/A LYS 216.A N ALA 212.A O no hydrogen 2.973 N/A VAL 217.A N LEU 213.A O no hydrogen 2.867 N/A ARG 218.A N ALA 214.A O no hydrogen 2.899 N/A ARG 218.A NE ASP 203.A OD1 no hydrogen 2.510 N/A ARG 218.A NH2 ASP 203.A OD1 no hydrogen 3.365 N/A ARG 218.A NH2 ASP 203.A OD2 no hydrogen 3.102 N/A GLN 219.A N GLU 215.A O no hydrogen 2.944 N/A CYS 220.A N VAL 217.A O no hydrogen 3.103 N/A CYS 220.A SG LYS 216.A O no hydrogen 3.283 N/A ASP 223.A N CYS 220.A O no hydrogen 3.204 N/A PHE 227.A N ASP 223.A O no hydrogen 3.291 N/A SER 228.A N ASP 224.A O no hydrogen 2.934 N/A SER 228.A OG ASP 224.A O no hydrogen 2.924 N/A TYR 229.A N GLU 225.A O no hydrogen 2.835 N/A GLN 230.A N LEU 226.A O no hydrogen 2.969 N/A GLN 230.A NE2 LEU 226.A O no hydrogen 3.399 N/A GLN 230.A NE2 ASN 555.A OD1 no hydrogen 2.957 N/A PHE 231.A N SER 228.A O no hydrogen 3.254 N/A LEU 232.A N TYR 229.A O no hydrogen 3.105 N/A ASN 233.A N TYR 229.A O no hydrogen 2.889 N/A ASN 233.A ND2 GLY 456.A O no hydrogen 2.613 N/A GLY 234.A N GLN 230.A O no hydrogen 3.072 N/A ASN 236.A ND2 ASP 350.A O no hydrogen 3.639 N/A ASN 236.A ND2 ASP 350.A OD1 no hydrogen 2.429 N/A MET 238.A N ASN 236.A OD1 no hydrogen 3.448 N/A ARG 241.A N GLU 274.A O no hydrogen 2.837 N/A ARG 241.A NH1 ASP 448.A OD2 no hydrogen 3.140 N/A ARG 241.A NH2 ASP 448.A OD2 no hydrogen 3.122 N/A ARG 242.A N ARG 449.A O no hydrogen 2.622 N/A ARG 242.A NE GLY 450.A O no hydrogen 2.801 N/A ARG 242.A NH1 GLY 270.A O no hydrogen 2.440 N/A ARG 242.A NH2 GLY 450.A O no hydrogen 2.861 N/A SER 243.A N LEU 272.A O no hydrogen 2.824 N/A SER 243.A OG GLU 274.A OE1 no hydrogen 2.712 N/A ARG 249.A NE GLN 316.A OE1 no hydrogen 2.879 N/A ARG 249.A NH1 ASP 276.A OD1 no hydrogen 2.954 N/A ARG 249.A NH1 ALA 297.A O no hydrogen 2.530 N/A ARG 249.A NH2 ALA 297.A O no hydrogen 2.784 N/A ARG 249.A NH2 GLN 316.A OE1 no hydrogen 2.826 N/A LEU 250.A N PRO 247.A O no hydrogen 3.213 N/A GLY 255.A N GLU 257.A OE2 no hydrogen 2.917 N/A GLN 260.A N MET 256.A O no hydrogen 2.886 N/A ALA 261.A N GLU 257.A O no hydrogen 2.903 N/A GLN 262.A N GLU 258.A O no hydrogen 2.932 N/A LEU 263.A N LEU 259.A O no hydrogen 2.876 N/A GLU 264.A N GLN 260.A O no hydrogen 2.913 N/A LYS 265.A N ALA 261.A O no hydrogen 2.905 N/A LYS 265.A NZ GLU 266.A OE2 no hydrogen 3.203 N/A GLU 266.A N GLN 262.A O no hydrogen 2.924 N/A LEU 267.A N LEU 263.A O no hydrogen 2.880 N/A GLN 268.A N GLU 264.A O no hydrogen 2.918 N/A ASN 269.A N LYS 265.A O no hydrogen 2.918 N/A GLY 270.A N LEU 267.A O no hydrogen 3.205 N/A SER 271.A N GLU 266.A O no hydrogen 3.037 N/A SER 271.A OG GLU 266.A OE1 no hydrogen 2.382 N/A PHE 273.A N LEU 302.A O no hydrogen 2.907 N/A GLU 274.A N ARG 241.A O no hydrogen 2.697 N/A ALA 275.A N VAL 300.A O no hydrogen 2.928 N/A PHE 277.A N PRO 298.A O no hydrogen 2.771 N/A LEU 280.A N PHE 277.A O no hydrogen 3.114 N/A ASP 281.A N ILE 278.A O no hydrogen 3.121 N/A ILE 283.A N LEU 280.A O no hydrogen 3.259 N/A ASN 286.A N SER 418.A O no hydrogen 2.650 N/A ASN 286.A ND2 ASP 414.A O no hydrogen 2.907 N/A ASN 286.A ND2 VAL 417.A O no hydrogen 3.078 N/A ILE 288.A N GLU 291.A O no hydrogen 2.809 N/A GLU 291.A N ILE 288.A O no hydrogen 2.944 N/A GLN 293.A N ASN 286.A O no hydrogen 2.783 N/A GLN 293.A NE2 GLU 291.A O no hydrogen 2.957 N/A GLN 293.A NE2 GLU 291.A OE1 no hydrogen 3.388 N/A TYR 294.A N MET 560.A O no hydrogen 2.754 N/A LEU 299.A N GLN 316.A O no hydrogen 2.850 N/A VAL 300.A N ALA 275.A O no hydrogen 2.989 N/A MET 301.A N VAL 314.A O no hydrogen 2.952 N/A LEU 302.A N PHE 273.A O no hydrogen 2.841 N/A LYS 303.A N GLN 311.A O no hydrogen 2.680 N/A MET 304.A N SER 271.A O no hydrogen 2.857 N/A GLU 305.A N LYS 309.A O no hydrogen 3.187 N/A GLY 308.A N GLU 305.A O no hydrogen 3.093 N/A LYS 309.A N ASN 307.A OD1 no hydrogen 3.323 N/A GLN 311.A N LYS 303.A O no hydrogen 2.714 N/A MET 313.A N MET 301.A O no hydrogen 2.678 N/A ILE 315.A N PHE 330.A O no hydrogen 2.728 N/A GLN 316.A N LEU 299.A O no hydrogen 2.900 N/A GLN 316.A NE2 ARG 249.A O no hydrogen 2.883 N/A SER 321.A N SER 324.A O no hydrogen 3.041 N/A SER 321.A OG SER 323.A OG no hydrogen 2.845 N/A SER 323.A OG SER 321.A OG no hydrogen 2.845 N/A SER 324.A N SER 321.A OG no hydrogen 2.855 N/A THR 328.A OG1 THR 566.A O no hydrogen 2.293 N/A PHE 330.A N ILE 315.A O no hydrogen 2.749 N/A LEU 331.A N ASP 334.A OD2 no hydrogen 2.866 N/A ASP 334.A N LEU 331.A O no hydrogen 3.178 N/A TRP 339.A N PRO 335.A O no hydrogen 3.225 N/A TRP 339.A NE1 ASP 224.A OD1 no hydrogen 2.857 N/A LEU 340.A N PRO 336.A O no hydrogen 2.870 N/A LEU 341.A N LEU 337.A O no hydrogen 2.894 N/A ALA 342.A N ALA 338.A O no hydrogen 2.908 N/A LYS 343.A N TRP 339.A O no hydrogen 2.912 N/A LYS 343.A NZ ASP 224.A OD1 no hydrogen 2.830 N/A SER 344.A N LEU 340.A O no hydrogen 2.882 N/A SER 344.A OG LEU 340.A O no hydrogen 2.760 N/A TRP 345.A N LEU 341.A O no hydrogen 2.876 N/A VAL 346.A N ALA 342.A O no hydrogen 2.955 N/A ARG 347.A N LYS 343.A O no hydrogen 2.893 N/A ARG 347.A NE ASN 555.A O no hydrogen 3.067 N/A ARG 347.A NH1 ASP 350.A OD2 no hydrogen 2.499 N/A ASN 348.A N SER 344.A O no hydrogen 2.845 N/A ASN 348.A ND2 PRO 557.A O no hydrogen 2.591 N/A SER 349.A N TRP 345.A O no hydrogen 2.930 N/A SER 349.A OG TRP 345.A O no hydrogen 2.658 N/A ASP 350.A N VAL 346.A O no hydrogen 2.853 N/A PHE 351.A N ARG 347.A O no hydrogen 2.852 N/A GLN 352.A N ASN 348.A O no hydrogen 2.975 N/A GLN 352.A NE2 ASN 348.A O no hydrogen 3.180 N/A GLN 352.A NE2 CYS 558.A O no hydrogen 2.985 N/A LEU 353.A N SER 349.A O no hydrogen 2.944 N/A HIS 354.A N ASP 350.A O no hydrogen 2.781 N/A HIS 354.A NE2 ILE 542.A O no hydrogen 2.609 N/A GLU 355.A N PHE 351.A O no hydrogen 2.951 N/A ILE 356.A N GLN 352.A O no hydrogen 2.969 N/A GLN 357.A N LEU 353.A O no hydrogen 3.086 N/A TYR 358.A N LEU 353.A O no hydrogen 3.151 N/A HIS 359.A ND1 GLU 355.A OE1 no hydrogen 2.962 N/A LEU 360.A N GLU 355.A O no hydrogen 2.837 N/A LEU 361.A N ILE 356.A O no hydrogen 2.979 N/A ASN 362.A N GLN 357.A O no hydrogen 2.792 N/A THR 363.A OG1 HIS 359.A O no hydrogen 2.285 N/A HIS 364.A N HIS 359.A O no hydrogen 3.059 N/A HIS 364.A NE2 HIS 539.A NE2 no hydrogen 3.027 N/A LEU 365.A N LEU 360.A O no hydrogen 2.798 N/A VAL 366.A N LEU 361.A O no hydrogen 3.212 N/A ALA 367.A N THR 363.A O no hydrogen 3.028 N/A GLU 368.A N HIS 364.A O no hydrogen 2.924 N/A VAL 369.A N LEU 365.A O no hydrogen 2.915 N/A ILE 370.A N VAL 366.A O no hydrogen 2.920 N/A ALA 371.A N ALA 367.A O no hydrogen 2.838 N/A VAL 372.A N GLU 368.A O no hydrogen 2.923 N/A ALA 373.A N VAL 369.A O no hydrogen 2.961 N/A THR 374.A N ILE 370.A O no hydrogen 2.856 N/A THR 374.A OG1 ILE 370.A O no hydrogen 2.479 N/A MET 375.A N ALA 371.A O no hydrogen 2.957 N/A ARG 376.A N VAL 372.A O no hydrogen 2.872 N/A ARG 376.A NE GLU 500.A OE2 no hydrogen 2.697 N/A ARG 376.A NH1 GLN 135.A O no hydrogen 3.160 N/A ARG 376.A NH1 TYR 138.A O no hydrogen 2.482 N/A CYS 377.A N ALA 373.A O no hydrogen 2.943 N/A CYS 377.A SG ALA 496.A O no hydrogen 3.559 N/A LEU 378.A N THR 374.A O no hydrogen 3.187 N/A GLY 380.A N GLU 130.A OE1 no hydrogen 3.201 N/A GLY 380.A N GLU 130.A OE2 no hydrogen 2.916 N/A HIS 382.A N PRO 379.A O no hydrogen 2.934 N/A HIS 382.A NE2 ASP 491.A OD1 no hydrogen 3.218 N/A HIS 382.A NE2 ASP 491.A OD2 no hydrogen 2.916 N/A ILE 384.A N HIS 382.A ND1 no hydrogen 3.147 N/A LYS 386.A N HIS 382.A O no hydrogen 3.164 N/A LYS 386.A NZ GLY 110.A O no hydrogen 2.544 N/A PHE 387.A N PRO 383.A O no hydrogen 2.895 N/A LEU 388.A N ILE 384.A O no hydrogen 2.913 N/A ILE 389.A N PHE 385.A O no hydrogen 2.834 N/A HIS 391.A N LEU 388.A O no hydrogen 2.886 N/A HIS 391.A ND1 ASN 658.A O no hydrogen 3.119 N/A ILE 392.A N ILE 389.A O no hydrogen 3.454 N/A THR 395.A OG1 ARG 393.A O no hydrogen 3.557 N/A THR 395.A OG1 VAL 660.A O no hydrogen 3.131 N/A ILE 398.A N TYR 394.A O no hydrogen 3.045 N/A ASN 399.A N THR 395.A O no hydrogen 2.993 N/A ASN 399.A ND2 HIS 364.A O no hydrogen 3.203 N/A ASN 399.A ND2 THR 395.A O no hydrogen 2.664 N/A THR 400.A N MET 396.A O no hydrogen 2.876 N/A THR 400.A OG1 MET 396.A O no hydrogen 2.575 N/A ARG 401.A N GLU 397.A O no hydrogen 2.794 N/A ARG 401.A NE GLU 397.A OE2 no hydrogen 2.926 N/A ARG 401.A NH2 GLU 174.A OE2 no hydrogen 3.528 N/A ARG 401.A NH2 GLU 397.A OE2 no hydrogen 3.267 N/A ALA 402.A N ILE 398.A O no hydrogen 2.959 N/A ARG 403.A N ASN 399.A O no hydrogen 2.905 N/A ARG 403.A NH1 GLU 368.A OE1 no hydrogen 2.834 N/A ARG 403.A NH2 GLU 368.A OE2 no hydrogen 2.502 N/A THR 404.A N THR 400.A O no hydrogen 2.865 N/A THR 404.A OG1 THR 400.A O no hydrogen 2.961 N/A THR 404.A OG1 ARG 401.A O no hydrogen 3.296 N/A GLN 405.A N ARG 401.A O no hydrogen 2.915 N/A LEU 406.A N ALA 402.A O no hydrogen 2.903 N/A ILE 407.A N ALA 402.A O no hydrogen 2.751 N/A SER 408.A OG THR 404.A O no hydrogen 3.236 N/A GLY 410.A N ASP 414.A OD2 no hydrogen 2.660 N/A GLY 411.A N SER 408.A O no hydrogen 2.965 N/A ILE 412.A N GLN 405.A O no hydrogen 3.170 N/A PHE 413.A N LEU 406.A O no hydrogen 2.761 N/A ASP 414.A N GLY 411.A O no hydrogen 3.056 N/A LYS 415.A N ILE 412.A O no hydrogen 2.984 N/A LYS 415.A NZ GLY 410.A O no hydrogen 2.931 N/A LYS 415.A NZ GLY 411.A O no hydrogen 3.443 N/A VAL 417.A N PHE 413.A O no hydrogen 3.343 N/A SER 418.A N CYS 558.A O no hydrogen 3.152 N/A THR 419.A N GLN 352.A OE1 no hydrogen 3.331 N/A THR 419.A OG1 GLN 352.A OE1 no hydrogen 2.553 N/A GLY 420.A N VAL 417.A O no hydrogen 3.313 N/A GLY 421.A N ASP 414.A OD1 no hydrogen 2.570 N/A HIS 424.A NE2 ILE 407.A O no hydrogen 3.316 N/A VAL 425.A N GLY 422.A O no hydrogen 3.193 N/A GLN 426.A N GLY 422.A O no hydrogen 3.446 N/A LEU 427.A N GLY 423.A O no hydrogen 2.911 N/A LEU 428.A N HIS 424.A O no hydrogen 2.825 N/A ARG 429.A N VAL 425.A O no hydrogen 2.918 N/A ARG 429.A NH1 GLU 145.A O no hydrogen 2.438 N/A ARG 430.A N GLN 426.A O no hydrogen 2.934 N/A ARG 430.A NH1 LEU 279.A O no hydrogen 2.973 N/A ARG 430.A NH1 ASP 281.A O no hydrogen 2.386 N/A ARG 430.A NH2 ASP 281.A O no hydrogen 3.046 N/A ALA 431.A N LEU 427.A O no hydrogen 2.891 N/A ALA 432.A N LEU 428.A O no hydrogen 2.833 N/A ALA 433.A N ARG 429.A O no hydrogen 2.992 N/A GLN 434.A N ARG 430.A O no hydrogen 3.143 N/A LEU 435.A N ALA 432.A O no hydrogen 3.189 N/A TYR 437.A N ARG 512.A O no hydrogen 2.817 N/A TYR 437.A OH HIS 526.A ND1 no hydrogen 2.532 N/A SER 439.A N THR 436.A O no hydrogen 3.256 N/A SER 439.A N THR 436.A OG1 no hydrogen 3.071 N/A SER 439.A OG THR 436.A O no hydrogen 2.755 N/A LEU 440.A N TYR 437.A O no hydrogen 3.341 N/A CYS 441.A SG TYR 437.A O no hydrogen 3.251 N/A ASP 445.A N CYS 441.A O no hydrogen 2.730 N/A LEU 446.A N PRO 442.A O no hydrogen 2.866 N/A ALA 447.A N PRO 443.A O no hydrogen 2.960 N/A ASP 448.A N ASP 444.A O no hydrogen 2.899 N/A ARG 449.A N ASP 445.A O no hydrogen 2.945 N/A ARG 449.A NE ASP 445.A OD2 no hydrogen 3.217 N/A ARG 449.A NH1 PRO 237.A O no hydrogen 3.045 N/A ARG 449.A NH1 LEU 240.A O no hydrogen 2.494 N/A ARG 449.A NH2 PRO 237.A O no hydrogen 2.966 N/A ARG 449.A NH2 ASP 445.A OD2 no hydrogen 3.178 N/A GLY 450.A N ALA 447.A O no hydrogen 3.281 N/A LEU 451.A N LEU 446.A O no hydrogen 2.850 N/A ALA 457.A N LEU 454.A O no hydrogen 3.396 N/A LEU 458.A N GLY 456.A O no hydrogen 3.028 N/A TYR 459.A N ASN 233.A OD1 no hydrogen 3.040 N/A HIS 461.A N ALA 457.A O no hydrogen 3.106 N/A HIS 461.A ND1 ASP 462.A OD1 no hydrogen 3.206 N/A ASP 462.A N LEU 458.A O no hydrogen 2.979 N/A ALA 463.A N TYR 459.A O no hydrogen 2.784 N/A LEU 464.A N ALA 460.A O no hydrogen 2.948 N/A ARG 465.A N HIS 461.A O no hydrogen 2.998 N/A ARG 465.A NE GLU 636.A OE1 no hydrogen 3.159 N/A ARG 465.A NH1 GLU 468.A OE2 no hydrogen 3.335 N/A ARG 465.A NH2 GLU 636.A OE1 no hydrogen 2.837 N/A LEU 466.A N ASP 462.A O no hydrogen 2.866 N/A TRP 467.A N ALA 463.A O no hydrogen 2.830 N/A GLU 468.A N LEU 464.A O no hydrogen 2.956 N/A ILE 469.A N ARG 465.A O no hydrogen 2.996 N/A ILE 470.A N LEU 466.A O no hydrogen 2.854 N/A ALA 471.A N TRP 467.A O no hydrogen 2.796 N/A ARG 472.A N GLU 468.A O no hydrogen 2.905 N/A ARG 472.A NH1 ASP 629.A OD2 no hydrogen 2.697 N/A TYR 473.A N ILE 469.A O no hydrogen 3.036 N/A VAL 474.A N ILE 470.A O no hydrogen 2.831 N/A GLU 475.A N ALA 471.A O no hydrogen 2.843 N/A GLY 476.A N ARG 472.A O no hydrogen 2.929 N/A ILE 477.A N TYR 473.A O no hydrogen 3.072 N/A VAL 478.A N VAL 474.A O no hydrogen 2.858 N/A HIS 479.A N GLU 475.A O no hydrogen 2.859 N/A LEU 480.A N GLY 476.A O no hydrogen 2.949 N/A PHE 481.A N ILE 477.A O no hydrogen 3.035 N/A PHE 481.A N VAL 478.A O no hydrogen 2.920 N/A TYR 482.A N VAL 478.A O no hydrogen 2.394 N/A TYR 482.A OH ASP 491.A OD2 no hydrogen 2.353 N/A ARG 484.A NE ASP 486.A OD1 no hydrogen 3.108 N/A VAL 488.A N ARG 484.A O no hydrogen 3.385 N/A LYS 489.A N ASP 485.A O no hydrogen 2.921 N/A GLY 490.A N ASP 486.A O no hydrogen 2.739 N/A LEU 494.A N ASP 491.A OD1 no hydrogen 3.115 N/A GLN 495.A N ASP 491.A O no hydrogen 3.211 N/A GLN 495.A NE2 VAL 488.A O no hydrogen 2.722 N/A GLN 495.A NE2 PHE 518.A O no hydrogen 3.492 N/A ALA 496.A N PRO 492.A O no hydrogen 2.917 N/A TRP 497.A N GLU 493.A O no hydrogen 2.895 N/A TRP 497.A NE1 THR 374.A OG1 no hydrogen 3.104 N/A CYS 498.A N LEU 494.A O no hydrogen 2.910 N/A CYS 498.A SG PRO 515.A O no hydrogen 3.210 N/A ARG 499.A N GLN 495.A O no hydrogen 2.921 N/A GLU 500.A N ALA 496.A O no hydrogen 2.835 N/A ILE 501.A N TRP 497.A O no hydrogen 2.973 N/A THR 502.A N CYS 498.A O no hydrogen 2.932 N/A THR 502.A OG1 CYS 498.A O no hydrogen 3.059 N/A THR 502.A OG1 PRO 515.A O no hydrogen 2.528 N/A GLU 503.A N ARG 499.A O no hydrogen 2.721 N/A VAL 504.A N ARG 499.A O no hydrogen 3.137 N/A GLY 505.A N GLU 500.A O no hydrogen 2.538 N/A LEU 506.A N ILE 501.A O no hydrogen 2.693 N/A CYS 507.A N VAL 504.A O no hydrogen 3.389 N/A CYS 507.A SG LEU 147.A O no hydrogen 3.215 N/A CYS 507.A SG VAL 504.A O no hydrogen 3.852 N/A GLN 508.A N GLU 503.A O no hydrogen 3.229 N/A ALA 509.A N THR 502.A O no hydrogen 3.126 N/A ARG 512.A N ALA 509.A O no hydrogen 3.273 N/A ARG 512.A NH1 LEU 506.A O no hydrogen 3.474 N/A ARG 512.A NH2 LEU 506.A O no hydrogen 2.849 N/A GLY 513.A N GLN 510.A O no hydrogen 3.178 N/A PHE 514.A N ALA 509.A O no hydrogen 3.130 N/A SER 517.A OG GLN 519.A OE1 no hydrogen 2.562 N/A PHE 518.A N GLN 495.A OE1 no hydrogen 2.901 N/A GLN 519.A N GLN 523.A OE1 no hydrogen 3.072 N/A SER 520.A OG SER 522.A OG no hydrogen 3.013 N/A GLN 521.A N ASP 485.A OD1 no hydrogen 3.050 N/A SER 522.A OG SER 520.A OG no hydrogen 3.013 N/A GLN 523.A N SER 520.A OG no hydrogen 3.212 N/A LEU 524.A N SER 520.A O no hydrogen 3.454 N/A CYS 525.A N GLN 521.A O no hydrogen 2.868 N/A CYS 525.A SG GLN 521.A O no hydrogen 3.241 N/A HIS 526.A N SER 522.A O no hydrogen 2.887 N/A HIS 526.A ND1 TYR 437.A OH no hydrogen 2.532 N/A PHE 527.A N GLN 523.A O no hydrogen 2.978 N/A LEU 528.A N LEU 524.A O no hydrogen 2.899 N/A THR 529.A N CYS 525.A O no hydrogen 2.902 N/A THR 529.A OG1 CYS 525.A O no hydrogen 2.489 N/A MET 530.A N HIS 526.A O no hydrogen 2.937 N/A CYS 531.A N PHE 527.A O no hydrogen 2.929 N/A CYS 531.A SG PHE 527.A O no hydrogen 3.268 N/A VAL 532.A N LEU 528.A O no hydrogen 2.916 N/A PHE 533.A N THR 529.A O no hydrogen 2.916 N/A THR 534.A N MET 530.A O no hydrogen 2.906 N/A THR 534.A OG1 MET 530.A O no hydrogen 2.920 N/A CYS 535.A N CYS 531.A O no hydrogen 2.922 N/A CYS 535.A SG CYS 531.A O no hydrogen 3.190 N/A THR 536.A N VAL 532.A O no hydrogen 2.825 N/A THR 536.A OG1 VAL 532.A O no hydrogen 2.701 N/A GLN 538.A N PHE 533.A O no hydrogen 2.608 N/A GLN 538.A NE2 TYR 459.A OH no hydrogen 2.565 N/A HIS 539.A NE2 ILE 662.A OXT no hydrogen 3.049 N/A ALA 540.A N THR 536.A O no hydrogen 3.141 N/A ALA 541.A N ALA 537.A O no hydrogen 2.900 N/A ILE 542.A N GLN 538.A O no hydrogen 2.910 N/A ASN 543.A ND2 GLN 544.A OE1 no hydrogen 2.483 N/A ASN 543.A ND2 LEU 596.A O no hydrogen 3.043 N/A GLN 544.A N ALA 540.A O no hydrogen 3.077 N/A GLN 546.A N ASN 543.A O no hydrogen 3.429 N/A GLN 546.A NE2 GLU 355.A OE2 no hydrogen 2.778 N/A LEU 547.A N SER 597.A OG no hydrogen 3.143 N/A TRP 549.A N GLY 545.A O no hydrogen 3.028 N/A TYR 550.A N GLN 546.A O no hydrogen 2.846 N/A ALA 551.A N LEU 547.A O no hydrogen 3.288 N/A ASN 555.A N TRP 552.A O no hydrogen 3.110 N/A ASN 555.A ND2 GLN 230.A OE1 no hydrogen 2.691 N/A ASN 555.A ND2 TRP 549.A O no hydrogen 2.535 N/A ALA 556.A N VAL 553.A O no hydrogen 3.017 N/A CYS 558.A SG ALA 416.A O no hydrogen 3.327 N/A CYS 558.A SG GLN 585.A O no hydrogen 3.452 N/A THR 559.A OG1 GLN 293.A OE1 no hydrogen 2.464 N/A ARG 561.A N SER 579.A O no hydrogen 3.066 N/A ARG 561.A NE LEU 580.A O no hydrogen 2.521 N/A ARG 561.A NH1 GLU 291.A OE2 no hydrogen 3.382 N/A ARG 561.A NH2 MET 577.A O no hydrogen 2.860 N/A ARG 561.A NH2 LEU 580.A O no hydrogen 2.957 N/A THR 567.A OG1 ASP 570.A OD2 no hydrogen 2.672 N/A LYS 568.A NZ LEU 329.A O no hydrogen 2.812 N/A LYS 568.A NZ ASP 334.A OD1 no hydrogen 3.090 N/A LYS 568.A NZ ASP 334.A OD2 no hydrogen 2.960 N/A GLU 569.A N GLU 569.A OE1 no hydrogen 2.753 N/A THR 575.A N THR 572.A OG1 no hydrogen 3.266 N/A VAL 576.A N THR 572.A O no hydrogen 3.064 N/A MET 577.A N MET 573.A O no hydrogen 2.900 N/A GLY 578.A N ALA 574.A O no hydrogen 2.864 N/A SER 579.A N THR 575.A O no hydrogen 2.891 N/A SER 579.A OG THR 575.A O no hydrogen 2.501 N/A LEU 580.A N VAL 576.A O no hydrogen 2.790 N/A ASP 582.A N GLN 585.A OE1 no hydrogen 3.180 N/A GLN 585.A N ASP 582.A OD1 no hydrogen 3.204 N/A GLN 585.A NE2 GLN 293.A OE1 no hydrogen 3.497 N/A ALA 586.A N ASP 582.A O no hydrogen 2.877 N/A CYS 587.A N VAL 583.A O no hydrogen 2.857 N/A CYS 587.A SG VAL 583.A O no hydrogen 3.194 N/A LEU 588.A N ARG 584.A O no hydrogen 2.975 N/A GLN 589.A N GLN 585.A O no hydrogen 2.889 N/A GLN 589.A NE2 TYR 550.A O no hydrogen 2.590 N/A GLN 589.A NE2 ALA 556.A O no hydrogen 3.014 N/A MET 590.A N ALA 586.A O no hydrogen 2.937 N/A ALA 591.A N CYS 587.A O no hydrogen 2.905 N/A ILE 592.A N LEU 588.A O no hydrogen 2.972 N/A SER 593.A N GLN 589.A O no hydrogen 2.940 N/A SER 593.A OG GLN 589.A O no hydrogen 2.659 N/A TRP 594.A N MET 590.A O no hydrogen 2.920 N/A HIS 595.A N ALA 591.A O no hydrogen 2.890 N/A LEU 596.A N ILE 592.A O no hydrogen 2.870 N/A SER 597.A N SER 593.A O no hydrogen 2.994 N/A SER 597.A OG SER 593.A O no hydrogen 2.270 N/A ARG 598.A N TRP 594.A O no hydrogen 3.027 N/A ARG 598.A NH1 ASP 172.A OD1 no hydrogen 3.243 N/A ARG 598.A NH1 ASP 172.A OD2 no hydrogen 2.793 N/A ARG 598.A NH2 ASP 172.A OD1 no hydrogen 3.279 N/A GLN 600.A NE2 ARG 598.A O no hydrogen 3.317 N/A MET 603.A N GLN 600.A O no hydrogen 3.222 N/A LEU 606.A N ILE 656.A O no hydrogen 2.847 N/A GLY 607.A N ASN 658.A OD1 no hydrogen 2.832 N/A HIS 608.A N PRO 605.A O no hydrogen 2.987 N/A LYS 612.A N TYR 96.A OH no hydrogen 2.602 N/A LYS 612.A NZ LYS 610.A O no hydrogen 3.053 N/A LYS 620.A NZ ASN 624.A OD1 no hydrogen 2.924 N/A ALA 621.A N PRO 617.A O no hydrogen 2.891 N/A VAL 622.A N LYS 618.A O no hydrogen 2.947 N/A LEU 623.A N PRO 619.A O no hydrogen 2.905 N/A ASN 624.A N LYS 620.A O no hydrogen 2.877 N/A GLN 625.A N ALA 621.A O no hydrogen 2.908 N/A PHE 626.A N VAL 622.A O no hydrogen 2.929 N/A ARG 627.A N LEU 623.A O no hydrogen 2.919 N/A ARG 627.A NE GLY 607.A O no hydrogen 2.452 N/A ARG 627.A NH2 GLY 607.A O no hydrogen 3.179 N/A THR 628.A N ASN 624.A O no hydrogen 2.895 N/A THR 628.A OG1 ASN 624.A O no hydrogen 2.956 N/A ASP 629.A N GLN 625.A O no hydrogen 2.957 N/A LEU 630.A N PHE 626.A O no hydrogen 2.948 N/A GLU 631.A N ARG 627.A O no hydrogen 2.922 N/A LYS 632.A N THR 628.A O no hydrogen 2.968 N/A LYS 632.A NZ GLU 636.A OE2 no hydrogen 3.276 N/A LEU 633.A N ASP 629.A O no hydrogen 2.900 N/A GLU 634.A N LEU 630.A O no hydrogen 2.863 N/A LYS 635.A N GLU 631.A O no hydrogen 2.938 N/A GLU 636.A N LYS 632.A O no hydrogen 2.979 N/A ILE 637.A N LEU 633.A O no hydrogen 2.852 N/A THR 638.A N GLU 634.A O no hydrogen 2.894 N/A THR 638.A OG1 GLU 634.A O no hydrogen 2.902 N/A ALA 639.A N LYS 635.A O no hydrogen 2.938 N/A ARG 640.A N GLU 636.A O no hydrogen 2.926 N/A ARG 640.A NE ASN 641.A OD1 no hydrogen 3.098 N/A ARG 640.A NH1 ASP 462.A OD1 no hydrogen 2.587 N/A ARG 640.A NH1 ASP 462.A OD2 no hydrogen 3.336 N/A ARG 640.A NH2 ASP 462.A OD2 no hydrogen 2.893 N/A ARG 640.A NH2 ASN 641.A OD1 no hydrogen 3.128 N/A ARG 640.A NH2 TYR 648.A O no hydrogen 3.061 N/A ASN 641.A N ILE 637.A O no hydrogen 2.817 N/A ASN 641.A ND2 TYR 648.A O no hydrogen 2.638 N/A GLU 642.A N THR 638.A O no hydrogen 2.959 N/A GLN 643.A N ARG 640.A O no hydrogen 3.351 N/A LEU 644.A N ASN 641.A O no hydrogen 3.085 N/A TYR 648.A N ASN 641.A OD1 no hydrogen 3.375 N/A TYR 650.A OH ASP 548.A OD2 no hydrogen 3.230 N/A LYS 652.A N GLU 649.A O no hydrogen 3.395 N/A SER 654.A N GLU 634.A OE1 no hydrogen 2.714 N/A SER 654.A OG GLU 634.A OE1 no hydrogen 3.214 N/A SER 654.A OG GLU 634.A OE2 no hydrogen 2.414 N/A CYS 655.A N LYS 652.A O no hydrogen 2.810 N/A ILE 656.A N PRO 653.A O no hydrogen 3.331 N/A ASN 658.A N VAL 604.A O no hydrogen 2.589 N/A ASN 658.A ND2 HIS 609.A ND1 no hydrogen 3.301 N/A SER 659.A OG ARG 393.A O no hydrogen 2.869 N/A THR 661.A OG1 GLU 657.A OE1 no hydrogen 3.059 N/A THR 661.A OG1 GLU 657.A OE2 no hydrogen 2.694 N/A