Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ixc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.702 N/A GLU 3.A N LEU 131.A O no hydrogen 2.829 N/A SER 5.A N GLU 129.A O no hydrogen 3.108 N/A SER 5.A OG THR 6.A O no hydrogen 3.487 N/A SER 5.A OG GLN 67.A OE1 no hydrogen 2.770 N/A CYS 7.A SG GLU 129.A OE1 no hydrogen 3.627 N/A TRP 8.A N ILE 66.A O no hydrogen 2.766 N/A GLN 9.A N GLU 122.A O no hydrogen 2.925 N/A LEU 10.A N PHE 64.A O no hydrogen 2.998 N/A THR 11.A N LEU 120.A O no hydrogen 2.891 N/A VAL 12.A N PHE 62.A O no hydrogen 2.836 N/A ARG 13.A N GLU 118.A O no hydrogen 2.859 N/A ARG 13.A NH1 GLU 118.A OE1 no hydrogen 3.417 N/A VAL 14.A N GLU 60.A O no hydrogen 2.661 N/A LEU 15.A N ASP 116.A O no hydrogen 3.044 N/A ALA 17.A N PRO 56.A O no hydrogen 3.061 N/A ARG 18.A N GLU 114.A O no hydrogen 2.823 N/A ARG 18.A NH1 GLU 16.A OE1 no hydrogen 2.994 N/A ARG 18.A NH1 ASP 116.A OD2 no hydrogen 2.897 N/A ARG 18.A NH2 GLU 114.A OE1 no hydrogen 2.671 N/A ARG 18.A NH2 ASP 116.A OD1 no hydrogen 3.181 N/A ASN 19.A ND2 GLU 112.A O no hydrogen 2.949 N/A LEU 20.A N SER 54.A O no hydrogen 3.063 N/A ARG 21.A N GLU 113.A OE1 no hydrogen 2.835 N/A ARG 21.A NE GLU 113.A OE1 no hydrogen 3.277 N/A TRP 22.A NE1 SER 54.A OG no hydrogen 2.922 N/A ALA 23.A N SER 27.A O no hydrogen 2.729 N/A LEU 25.A N ASP 24.A OD2 no hydrogen 2.940 N/A ASP 30.A N ASP 80.A OD1 no hydrogen 3.012 N/A TYR 32.A N TYR 79.A O no hydrogen 3.005 N/A TYR 32.A OH ASP 87.A OD1 no hydrogen 2.501 N/A VAL 33.A N THR 47.A OG1 no hydrogen 2.652 N/A ILE 34.A N SER 77.A O no hydrogen 2.811 N/A LEU 35.A N PHE 45.A O no hydrogen 2.930 N/A GLN 36.A N GLU 75.A O no hydrogen 2.923 N/A SER 38.A N VAL 73.A O no hydrogen 2.915 N/A SER 38.A OG VAL 73.A O no hydrogen 3.474 N/A THR 39.A OG1 ASN 72.A OD1 no hydrogen 2.694 N/A ALA 40.A N LEU 37.A O no hydrogen 3.129 N/A MET 43.A N ALA 40.A O no hydrogen 3.207 N/A PHE 45.A N LEU 35.A O no hydrogen 3.116 N/A LYS 46.A NZ THR 47.A O no hydrogen 3.544 N/A THR 47.A N VAL 33.A O no hydrogen 2.944 N/A THR 47.A OG1 VAL 33.A O no hydrogen 3.387 N/A THR 47.A OG1 LYS 48.A O no hydrogen 3.173 N/A LYS 48.A N GLU 60.A OE2 no hydrogen 2.560 N/A THR 49.A OG1 ASP 30.A O no hydrogen 3.403 N/A THR 49.A OG1 LEU 50.A O no hydrogen 3.543 N/A THR 49.A OG1 GLU 81.A OE2 no hydrogen 3.463 N/A LEU 50.A N PRO 31.A O no hydrogen 2.950 N/A ASP 52.A N ASP 30.A OD2 no hydrogen 2.913 N/A THR 53.A N ALA 29.A O no hydrogen 3.011 N/A THR 53.A OG1 THR 51.A O no hydrogen 3.100 N/A SER 54.A OG LEU 20.A O no hydrogen 3.193 N/A SER 54.A OG GLU 28.A OE2 no hydrogen 3.163 N/A HIS 55.A ND1 HIS 55.A O no hydrogen 2.798 N/A TRP 58.A N LEU 15.A O no hydrogen 2.817 N/A ASN 59.A N LEU 15.A O no hydrogen 3.075 N/A GLU 60.A N VAL 14.A O no hydrogen 2.966 N/A PHE 62.A N VAL 12.A O no hydrogen 2.807 N/A PHE 64.A N LEU 10.A O no hydrogen 2.947 N/A ILE 66.A N TRP 8.A O no hydrogen 2.802 N/A GLN 67.A NE2 SER 5.A O no hydrogen 3.286 N/A GLN 67.A NE2 GLU 129.A OE1 no hydrogen 3.044 N/A GLN 69.A N GLN 67.A OE1 no hydrogen 3.022 N/A VAL 70.A N GLN 67.A O no hydrogen 3.118 N/A LYS 71.A N LEU 509.A O no hydrogen 2.744 N/A LYS 71.A NZ GLN 511.A O no hydrogen 3.511 N/A ASN 72.A ND2 GLN 67.A O no hydrogen 2.969 N/A VAL 73.A N SER 38.A OG no hydrogen 3.129 N/A LEU 74.A N TYR 95.A O no hydrogen 2.877 N/A GLU 75.A N GLN 36.A O no hydrogen 2.696 N/A LEU 76.A N VAL 93.A O no hydrogen 2.922 N/A SER 77.A N ILE 34.A O no hydrogen 3.084 N/A ILE 78.A N PHE 91.A O no hydrogen 2.854 N/A TYR 79.A N TYR 32.A O no hydrogen 2.919 N/A ASP 80.A N ASP 88.A O no hydrogen 2.938 N/A GLU 81.A N ASP 30.A O no hydrogen 2.916 N/A ASP 82.A N ASP 87.A OD2 no hydrogen 2.998 N/A VAL 84.A N ASP 82.A OD1 no hydrogen 3.110 N/A THR 85.A N ASP 82.A OD1 no hydrogen 3.391 N/A THR 85.A OG1 ASP 82.A OD2 no hydrogen 2.987 N/A CYS 90.A N ILE 78.A O no hydrogen 2.793 N/A CYS 90.A SG ILE 78.A O no hydrogen 3.246 N/A VAL 93.A N LEU 76.A O no hydrogen 2.957 N/A TYR 95.A N LEU 74.A O no hydrogen 2.770 N/A TYR 95.A OH GLU 99.A OE2 no hydrogen 1.777 N/A ILE 97.A N ASN 72.A O no hydrogen 3.224 N/A SER 98.A N ASP 96.A OD2 no hydrogen 2.709 N/A SER 98.A OG ASP 96.A OD2 no hydrogen 3.183 N/A VAL 100.A N ILE 97.A O no hydrogen 3.229 N/A GLY 103.A N MET 121.A O no hydrogen 2.892 N/A LEU 106.A N PHE 119.A O no hydrogen 3.035 N/A LYS 108.A N VAL 117.A O no hydrogen 2.784 N/A LYS 108.A NZ GLU 99.A OE1 no hydrogen 2.826 N/A THR 109.A OG1 ASP 116.A OD1 no hydrogen 2.716 N/A PHE 110.A N LEU 115.A O no hydrogen 2.836 N/A GLU 114.A N ARG 18.A O no hydrogen 3.085 N/A LEU 115.A N PHE 110.A O no hydrogen 2.928 N/A ASP 116.A N GLU 16.A O no hydrogen 2.803 N/A VAL 117.A N LYS 108.A O no hydrogen 2.860 N/A GLU 118.A N ARG 13.A O no hydrogen 2.935 N/A PHE 119.A N LEU 106.A O no hydrogen 2.899 N/A LEU 120.A N THR 11.A O no hydrogen 2.922 N/A GLU 122.A N GLN 9.A O no hydrogen 2.826 N/A THR 124.A OG1 ASP 126.A OD2 no hydrogen 3.178 N/A ARG 127.A NH1 PRO 128.A O no hydrogen 3.242 N/A ARG 127.A NH1 GLU 141.A OE2 no hydrogen 2.936 N/A ARG 127.A NH2 GLU 141.A OE1 no hydrogen 2.441 N/A GLU 129.A N SER 5.A O no hydrogen 2.777 N/A ASN 130.A N GLU 141.A OE2 no hydrogen 2.791 N/A LEU 131.A N GLU 3.A O no hydrogen 2.754 N/A ILE 132.A N ALA 139.A O no hydrogen 3.084 N/A THR 133.A N GLN 1.A O no hydrogen 2.955 N/A THR 133.A OG1 ILE 137.A O no hydrogen 2.648 N/A ASN 134.A N THR 133.A OG1 no hydrogen 2.620 N/A ASN 134.A N ILE 137.A O no hydrogen 3.028 N/A ASN 134.A ND2 GLY 438.A O no hydrogen 3.338 N/A LYS 135.A N THR 133.A OG1 no hydrogen 3.101 N/A VAL 138.A N GLN 508.A O no hydrogen 2.749 N/A ALA 139.A N ILE 132.A O no hydrogen 2.779 N/A ARG 140.A NE GLU 129.A OE1 no hydrogen 3.171 N/A ARG 140.A NE GLU 129.A OE2 no hydrogen 2.904 N/A ARG 140.A NH1 GLN 508.A OE1 no hydrogen 3.047 N/A ARG 140.A NH2 GLU 129.A OE1 no hydrogen 2.915 N/A ARG 140.A NH2 GLU 129.A OE2 no hydrogen 3.442 N/A GLU 141.A N GLU 129.A OE2 no hydrogen 3.049 N/A SER 143.A N TYR 178.A O no hydrogen 2.886 N/A SER 143.A OG TYR 178.A O no hydrogen 3.566 N/A CYS 144.A N GLU 226.A O no hydrogen 2.499 N/A LEU 145.A N PHE 176.A O no hydrogen 2.716 N/A ASP 146.A N LYS 224.A O no hydrogen 2.804 N/A VAL 147.A N PHE 174.A O no hydrogen 2.980 N/A HIS 148.A N GLN 222.A O no hydrogen 2.923 N/A LEU 152.A N SER 166.A O no hydrogen 3.173 N/A GLU 153.A N ARG 189.A O no hydrogen 3.006 N/A LEU 154.A N GLN 164.A O no hydrogen 2.887 N/A VAL 155.A N SER 187.A O no hydrogen 2.806 N/A LEU 156.A N ASP 162.A O no hydrogen 3.072 N/A SER 159.A N LEU 156.A O no hydrogen 3.311 N/A SER 159.A OG LEU 156.A O no hydrogen 2.397 N/A SER 159.A OG GLU 161.A O no hydrogen 2.212 N/A TYR 160.A N HIS 177.A O no hydrogen 2.995 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.850 N/A GLN 164.A N LEU 154.A O no hydrogen 2.804 N/A GLN 164.A NE2 ARG 175.A O no hydrogen 2.829 N/A LEU 168.A N SER 166.A OG no hydrogen 3.271 N/A PHE 174.A N VAL 147.A O no hydrogen 2.918 N/A ARG 175.A NE ASP 146.A OD1 no hydrogen 2.842 N/A ARG 175.A NH2 ASP 146.A OD1 no hydrogen 3.184 N/A PHE 176.A N LEU 145.A O no hydrogen 2.909 N/A HIS 177.A N GLU 161.A OE1 no hydrogen 2.929 N/A HIS 177.A ND1 GLU 161.A OE2 no hydrogen 2.705 N/A HIS 177.A NE2 GLU 230.A OE2 no hydrogen 3.016 N/A TYR 178.A N SER 143.A O no hydrogen 3.096 N/A ALA 180.A N GLU 141.A O no hydrogen 2.620 N/A LEU 182.A N MET 179.A O no hydrogen 3.474 N/A THR 184.A N LEU 198.A O no hydrogen 3.227 N/A THR 184.A OG1 LYS 157.A O no hydrogen 2.974 N/A THR 184.A OG1 GLU 185.A O no hydrogen 3.497 N/A GLU 185.A N THR 184.A OG1 no hydrogen 2.427 N/A LEU 186.A N VAL 196.A O no hydrogen 2.738 N/A SER 187.A N VAL 155.A O no hydrogen 2.761 N/A GLY 188.A N LEU 194.A O no hydrogen 2.764 N/A LEU 194.A N GLY 188.A O no hydrogen 3.004 N/A VAL 196.A N LEU 186.A O no hydrogen 2.729 N/A LEU 198.A N THR 184.A O no hydrogen 2.640 N/A LEU 201.A N ALA 180.A O no hydrogen 2.969 N/A THR 202.A OG1 ARG 199.A O no hydrogen 3.349 N/A VAL 207.A N LEU 223.A O no hydrogen 2.826 N/A MET 209.A N LEU 221.A O no hydrogen 3.096 N/A VAL 211.A N VAL 219.A O no hydrogen 2.668 N/A VAL 219.A N VAL 211.A O no hydrogen 2.872 N/A ARG 220.A NH1 ASP 210.A OD1 no hydrogen 3.023 N/A LEU 221.A N MET 209.A O no hydrogen 2.933 N/A GLN 222.A N HIS 148.A O no hydrogen 3.345 N/A LEU 223.A N VAL 207.A O no hydrogen 2.817 N/A LYS 224.A N ASP 146.A O no hydrogen 3.001 N/A LYS 224.A NZ GLY 204.A O no hydrogen 3.384 N/A GLU 226.A N CYS 144.A O no hydrogen 2.936 N/A CYS 228.A N LEU 142.A O no hydrogen 3.409 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 3.013 N/A ALA 233.A N GLY 453.A O no hydrogen 2.772 N/A VAL 234.A N GLY 453.A O no hydrogen 3.146 N/A HIS 235.A N PHE 440.A O no hydrogen 2.825 N/A GLY 237.A N GLY 438.A O no hydrogen 2.929 N/A CYS 241.A SG GLU 243.A OE1 no hydrogen 3.343 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.720 N/A GLN 245.A N CYS 241.A O no hydrogen 3.154 N/A ALA 246.A N ALA 242.A O no hydrogen 2.899 N/A PHE 247.A N GLU 243.A O no hydrogen 2.897 N/A LEU 248.A N GLU 244.A O no hydrogen 2.891 N/A SER 249.A N GLN 245.A O no hydrogen 3.349 N/A SER 249.A N ALA 246.A O no hydrogen 3.029 N/A SER 249.A OG GLU 271.A OE2 no hydrogen 2.568 N/A ARG 250.A N ALA 246.A O no hydrogen 3.222 N/A ARG 250.A NE GLU 407.A O no hydrogen 2.963 N/A ARG 250.A NH2 LEU 406.A O no hydrogen 3.090 N/A ARG 251.A N PHE 247.A O no hydrogen 2.738 N/A ARG 251.A NE VAL 308.A O no hydrogen 2.965 N/A ARG 251.A NH1 GLY 409.A O no hydrogen 2.824 N/A ARG 251.A NH2 VAL 308.A O no hydrogen 2.943 N/A LYS 252.A N LEU 248.A O no hydrogen 2.934 N/A VAL 255.A N ARG 251.A O no hydrogen 3.026 N/A ALA 256.A N LYS 252.A O no hydrogen 2.846 N/A LYS 257.A N GLN 253.A O no hydrogen 2.978 N/A ALA 258.A N VAL 254.A O no hydrogen 2.783 N/A LEU 259.A N VAL 255.A O no hydrogen 2.767 N/A LYS 260.A N ALA 256.A O no hydrogen 3.117 N/A LYS 260.A NZ ASP 268.A OD2 no hydrogen 2.665 N/A ALA 262.A N ALA 258.A O no hydrogen 3.072 N/A LEU 263.A N LEU 259.A O no hydrogen 2.725 N/A GLN 264.A N GLN 261.A O no hydrogen 3.254 N/A LEU 265.A N LYS 260.A O no hydrogen 2.848 N/A GLN 270.A N GLU 273.A OE2 no hydrogen 2.951 N/A GLU 273.A N GLN 270.A O no hydrogen 2.960 N/A VAL 274.A N GLU 271.A O no hydrogen 3.096 N/A VAL 276.A N ASP 543.A OD2 no hydrogen 2.864 N/A GLY 278.A N LEU 544.A O no hydrogen 2.994 N/A ILE 279.A N TYR 310.A O no hydrogen 2.700 N/A MET 280.A N LEU 546.A O no hydrogen 2.879 N/A ALA 281.A N SER 531.A OG no hydrogen 3.160 N/A THR 282.A N PHE 548.A O no hydrogen 3.413 N/A THR 282.A OG1 GLY 283.A O no hydrogen 2.964 N/A ARG 287.A NE TYR 642.A O no hydrogen 2.932 N/A ARG 287.A NH1 TYR 550.A O no hydrogen 2.421 N/A ARG 287.A NH2 TYR 642.A O no hydrogen 3.517 N/A ALA 288.A N GLY 284.A O no hydrogen 3.190 N/A MET 289.A N GLY 285.A O no hydrogen 3.177 N/A THR 290.A N ALA 286.A O no hydrogen 3.033 N/A SER 291.A N ARG 287.A O no hydrogen 2.993 N/A SER 291.A OG SER 661.A OG no hydrogen 2.640 N/A LEU 292.A N ALA 288.A O no hydrogen 2.889 N/A TYR 293.A N MET 289.A O no hydrogen 3.294 N/A GLY 294.A N THR 290.A O no hydrogen 3.141 N/A HIS 295.A N SER 291.A O no hydrogen 3.018 N/A HIS 295.A ND1 TYR 550.A OH no hydrogen 2.839 N/A LEU 296.A N LEU 292.A O no hydrogen 2.869 N/A LEU 297.A N TYR 293.A O no hydrogen 2.972 N/A ALA 298.A N GLY 294.A O no hydrogen 3.262 N/A LEU 299.A N HIS 295.A O no hydrogen 3.146 N/A GLN 300.A N LEU 296.A O no hydrogen 2.821 N/A GLN 300.A NE2 SER 331.A O no hydrogen 2.907 N/A GLN 300.A NE2 ARG 333.A O no hydrogen 2.712 N/A LYS 301.A N LEU 297.A O no hydrogen 2.907 N/A LEU 302.A N ALA 298.A O no hydrogen 3.159 N/A GLY 303.A N GLN 300.A O no hydrogen 2.862 N/A LEU 304.A N LEU 299.A O no hydrogen 2.792 N/A LEU 305.A N LEU 299.A O no hydrogen 2.860 N/A CYS 307.A N LEU 304.A O no hydrogen 2.788 N/A VAL 308.A N LEU 305.A O no hydrogen 3.307 N/A THR 309.A N VAL 277.A O no hydrogen 2.705 N/A TYR 310.A N VAL 277.A O no hydrogen 3.143 N/A TYR 310.A OH GLU 244.A OE2 no hydrogen 2.579 N/A PHE 311.A N LEU 413.A O no hydrogen 2.742 N/A SER 312.A N ILE 279.A O no hydrogen 2.920 N/A SER 312.A OG ILE 279.A O no hydrogen 3.004 N/A SER 312.A OG SER 531.A O no hydrogen 3.502 N/A SER 312.A OG SER 531.A OG no hydrogen 2.500 N/A GLY 313.A N LEU 415.A O no hydrogen 3.109 N/A SER 317.A N ILE 314.A O no hydrogen 3.053 N/A SER 317.A OG THR 282.A O no hydrogen 2.710 N/A THR 318.A N SER 315.A O no hydrogen 2.897 N/A THR 318.A OG1 SER 315.A O no hydrogen 2.550 N/A TRP 319.A N GLY 316.A O no hydrogen 3.069 N/A TRP 319.A NE1 SER 472.A OG no hydrogen 2.788 N/A THR 320.A OG1 MET 289.A O no hydrogen 2.651 N/A MET 321.A N SER 317.A O no hydrogen 3.146 N/A ALA 322.A N THR 318.A O no hydrogen 2.675 N/A HIS 323.A N TRP 319.A O no hydrogen 3.281 N/A LEU 324.A N THR 320.A O no hydrogen 3.236 N/A TYR 325.A N MET 321.A O no hydrogen 2.985 N/A TYR 325.A OH PRO 412.A O no hydrogen 2.370 N/A GLY 326.A N HIS 323.A O no hydrogen 2.803 N/A ASP 327.A N LEU 324.A O no hydrogen 3.136 N/A GLU 329.A N ASP 327.A OD1 no hydrogen 2.883 N/A TRP 330.A N ASP 327.A O no hydrogen 3.257 N/A SER 331.A N ASN 411.A OD1 no hydrogen 3.048 N/A SER 331.A OG GLN 410.A O no hydrogen 2.707 N/A SER 331.A OG ASN 411.A OD1 no hydrogen 2.603 N/A GLN 332.A N GLU 329.A O no hydrogen 2.971 N/A GLN 332.A NE2 GLN 410.A O no hydrogen 3.146 N/A ARG 333.A N GLU 329.A O no hydrogen 2.988 N/A LEU 335.A N GLN 300.A OE1 no hydrogen 3.400 N/A ILE 339.A N LEU 335.A O no hydrogen 3.040 N/A ARG 340.A N GLU 336.A O no hydrogen 3.170 N/A ARG 340.A NE GLU 344.A OE2 no hydrogen 2.996 N/A TYR 341.A N GLY 337.A O no hydrogen 3.213 N/A TYR 341.A OH HIS 391.A ND1 no hydrogen 2.693 N/A ALA 342.A N PRO 338.A O no hydrogen 3.047 N/A ARG 343.A N ILE 339.A O no hydrogen 2.861 N/A ARG 343.A NE GLU 655.A OE2 no hydrogen 3.252 N/A ARG 343.A NH2 GLU 655.A OE2 no hydrogen 2.770 N/A GLU 344.A N ARG 340.A O no hydrogen 2.848 N/A HIS 345.A N TYR 341.A O no hydrogen 3.088 N/A HIS 345.A ND1 TYR 341.A O no hydrogen 2.740 N/A LEU 346.A N ALA 342.A O no hydrogen 2.821 N/A ALA 347.A N ARG 343.A O no hydrogen 2.910 N/A LYS 348.A N GLU 344.A O no hydrogen 3.044 N/A LYS 350.A NZ LEU 346.A O no hydrogen 3.557 N/A LYS 350.A NZ LYS 348.A O no hydrogen 2.818 N/A PHE 354.A N LEU 351.A O no hydrogen 3.259 N/A SER 355.A N GLU 352.A O no hydrogen 2.722 N/A SER 355.A OG GLU 352.A O no hydrogen 2.609 N/A SER 355.A OG GLU 357.A OE1 no hydrogen 2.930 N/A ARG 358.A N SER 355.A O no hydrogen 2.854 N/A LEU 359.A N SER 355.A O no hydrogen 2.995 N/A ALA 360.A N PRO 356.A O no hydrogen 2.933 N/A SER 361.A N GLU 357.A O no hydrogen 3.317 N/A SER 361.A OG ARG 358.A O no hydrogen 2.587 N/A TYR 362.A N ARG 358.A O no hydrogen 2.808 N/A ARG 363.A N LEU 359.A O no hydrogen 3.011 N/A ARG 363.A NH1 GLU 367.A OE1 no hydrogen 2.511 N/A ARG 364.A N ALA 360.A O no hydrogen 2.852 N/A GLU 365.A N SER 361.A O no hydrogen 3.230 N/A GLU 365.A N TYR 362.A O no hydrogen 2.857 N/A LEU 366.A N TYR 362.A O no hydrogen 2.710 N/A GLU 367.A N ARG 363.A O no hydrogen 2.713 N/A ARG 369.A N GLU 365.A O no hydrogen 2.832 N/A ALA 370.A N LEU 366.A O no hydrogen 2.529 N/A GLU 371.A N GLU 367.A O no hydrogen 2.814 N/A GLN 372.A N LEU 368.A O no hydrogen 3.233 N/A THR 377.A OG1 ASP 380.A OD1 no hydrogen 2.433 N/A ASP 380.A N THR 377.A O no hydrogen 3.069 N/A TRP 382.A N PHE 378.A O no hydrogen 2.794 N/A ALA 383.A N VAL 379.A O no hydrogen 2.859 N/A LEU 384.A N ASP 380.A O no hydrogen 3.387 N/A VAL 385.A N LEU 381.A O no hydrogen 2.992 N/A LEU 386.A N TRP 382.A O no hydrogen 2.893 N/A GLU 387.A N ALA 383.A O no hydrogen 2.961 N/A SER 388.A N LEU 384.A O no hydrogen 3.008 N/A SER 388.A OG TYR 362.A OH no hydrogen 3.180 N/A MET 389.A N VAL 385.A O no hydrogen 2.758 N/A LEU 390.A N LEU 386.A O no hydrogen 2.952 N/A HIS 391.A N GLU 387.A O no hydrogen 2.794 N/A HIS 391.A ND1 TYR 341.A OH no hydrogen 2.693 N/A GLN 393.A NE2 VAL 394.A O no hydrogen 3.604 N/A MET 395.A N GLU 387.A OE2 no hydrogen 2.844 N/A GLN 397.A N MET 395.A O no hydrogen 3.029 N/A GLN 397.A NE2 GLY 326.A O no hydrogen 3.503 N/A SER 400.A N GLU 461.A OE2 no hydrogen 2.991 N/A SER 400.A OG GLU 461.A OE1 no hydrogen 2.521 N/A SER 400.A OG GLU 461.A OE2 no hydrogen 3.175 N/A GLY 401.A N LYS 398.A O no hydrogen 2.704 N/A GLN 402.A N LEU 399.A O no hydrogen 3.050 N/A ARG 403.A N SER 400.A O no hydrogen 3.320 N/A ARG 403.A NE PRO 429.A O no hydrogen 3.291 N/A ARG 403.A NH2 GLU 444.A OE2 no hydrogen 2.829 N/A ALA 404.A N GLY 401.A O no hydrogen 3.294 N/A ALA 405.A N GLN 402.A O no hydrogen 3.022 N/A LEU 406.A N ARG 403.A O no hydrogen 2.715 N/A GLU 407.A N ALA 404.A O no hydrogen 3.484 N/A ARG 408.A N GLN 410.A OE1 no hydrogen 2.873 N/A GLY 409.A N LEU 406.A O no hydrogen 2.942 N/A GLN 410.A N GLN 410.A OE1 no hydrogen 2.595 N/A GLN 410.A NE2 PRO 328.A O no hydrogen 3.130 N/A GLN 410.A NE2 ALA 404.A O no hydrogen 2.847 N/A ASN 411.A ND2 PRO 328.A O no hydrogen 3.050 N/A ASN 411.A ND2 ALA 405.A O no hydrogen 2.691 N/A LEU 413.A N THR 309.A O no hydrogen 2.986 N/A LEU 415.A N PHE 311.A O no hydrogen 2.634 N/A TYR 416.A N PHE 427.A O no hydrogen 2.756 N/A TYR 416.A OH GLN 402.A OE1 no hydrogen 2.849 N/A LEU 417.A N GLY 313.A O no hydrogen 3.100 N/A SER 418.A N VAL 425.A O no hydrogen 2.771 N/A ASN 420.A N GLU 423.A O no hydrogen 2.981 N/A LYS 422.A NZ ASP 523.A OD1 no hydrogen 3.268 N/A GLU 423.A N ASN 420.A O no hydrogen 3.366 N/A VAL 425.A N SER 418.A O no hydrogen 2.675 N/A GLU 426.A N GLY 433.A O no hydrogen 2.812 N/A PHE 427.A N TYR 416.A O no hydrogen 2.723 N/A SER 428.A N GLU 431.A O no hydrogen 2.898 N/A SER 428.A OG GLU 431.A O no hydrogen 3.234 N/A TYR 430.A N SER 428.A OG no hydrogen 3.237 N/A GLU 431.A N SER 428.A OG no hydrogen 3.177 N/A VAL 432.A N VAL 441.A O no hydrogen 2.740 N/A GLY 433.A N GLU 426.A O no hydrogen 2.841 N/A PHE 434.A N ALA 439.A O no hydrogen 3.069 N/A LEU 435.A N TRP 424.A O no hydrogen 3.260 N/A LYS 436.A NZ LYS 422.A O no hydrogen 3.557 N/A TYR 437.A OH GLU 423.A OE1 no hydrogen 2.575 N/A GLY 438.A N LEU 435.A O no hydrogen 3.347 N/A PHE 440.A N HIS 235.A O no hydrogen 2.956 N/A VAL 441.A N VAL 432.A O no hydrogen 2.824 N/A GLU 444.A N GLU 444.A OE1 no hydrogen 2.626 N/A LEU 445.A N PRO 442.A O no hydrogen 2.905 N/A PHE 446.A N PRO 443.A O no hydrogen 3.167 N/A SER 448.A N LEU 445.A O no hydrogen 2.918 N/A SER 448.A OG ILE 459.A O no hydrogen 3.308 N/A GLU 449.A N ARG 457.A O no hydrogen 3.004 N/A PHE 451.A N ARG 454.A O no hydrogen 2.773 N/A MET 452.A N GLN 505.A O no hydrogen 2.918 N/A ARG 454.A N PHE 451.A O no hydrogen 2.897 N/A ARG 454.A NH1 MET 452.A O no hydrogen 2.569 N/A MET 456.A N GLU 449.A O no hydrogen 2.834 N/A ARG 457.A N GLU 449.A O no hydrogen 3.268 N/A ARG 457.A NE GLU 449.A OE1 no hydrogen 3.319 N/A ILE 459.A N SER 448.A OG no hydrogen 2.915 N/A ARG 463.A NE GLU 387.A OE2 no hydrogen 2.771 N/A ARG 463.A NH1 GLU 365.A OE1 no hydrogen 2.712 N/A ARG 463.A NH2 GLU 365.A OE1 no hydrogen 3.219 N/A ARG 463.A NH2 GLU 387.A OE1 no hydrogen 2.974 N/A ILE 464.A N GLN 397.A O no hydrogen 2.888 N/A CYS 465.A SG ALA 383.A O no hydrogen 3.864 N/A PHE 466.A N ARG 463.A O no hydrogen 2.913 N/A GLU 468.A N ILE 464.A O no hydrogen 2.947 N/A ALA 469.A N CYS 465.A O no hydrogen 3.121 N/A TRP 471.A N LEU 467.A O no hydrogen 2.991 N/A SER 472.A N GLU 468.A O no hydrogen 2.853 N/A SER 472.A OG GLU 468.A O no hydrogen 2.420 N/A ASN 473.A N ILE 470.A O no hydrogen 3.341 N/A ASN 473.A ND2 PHE 475.A O no hydrogen 3.458 N/A PHE 475.A N ASN 473.A OD1 no hydrogen 2.928 N/A SER 476.A N LEU 519.A O no hydrogen 3.039 N/A SER 476.A OG ARG 518.A O no hydrogen 2.653 N/A ASN 478.A ND2 ASN 478.A O no hydrogen 2.105 N/A GLN 486.A NE2 ALA 482.A O no hydrogen 3.332 N/A THR 489.A OG1 GLN 486.A O no hydrogen 2.642 N/A ALA 490.A N GLN 486.A O no hydrogen 3.235 N/A LEU 491.A N PRO 487.A O no hydrogen 2.993 N/A ALA 492.A N GLY 488.A O no hydrogen 2.973 N/A GLN 493.A N THR 489.A O no hydrogen 2.828 N/A ALA 494.A N ALA 490.A O no hydrogen 3.410 N/A PHE 495.A N LEU 491.A O no hydrogen 3.069 N/A PHE 495.A N ALA 492.A O no hydrogen 3.010 N/A LEU 504.A N ASN 502.A OD1 no hydrogen 3.234 N/A GLN 505.A N ASN 502.A O no hydrogen 3.049 N/A LEU 507.A N LEU 504.A O no hydrogen 2.915 N/A GLN 508.A N VAL 138.A O no hydrogen 2.977 N/A GLN 508.A NE2 THR 39.A O no hydrogen 3.109 N/A HIS 510.A N VAL 136.A O no hydrogen 2.724 N/A GLN 511.A N GLN 69.A O no hydrogen 2.637 N/A GLN 511.A NE2 GLN 511.A O no hydrogen 3.263 N/A LEU 521.A N ILE 474.A O no hydrogen 3.157 N/A TYR 526.A N ASP 523.A O no hydrogen 3.047 N/A PHE 527.A N ALA 524.A O no hydrogen 2.959 N/A SER 531.A N THR 530.A OG1 no hydrogen 2.797 N/A SER 531.A OG ALA 281.A O no hydrogen 3.334 N/A SER 531.A OG SER 312.A OG no hydrogen 2.500 N/A SER 532.A OG THR 530.A O no hydrogen 3.569 N/A SER 532.A OG THR 562.A OG1 no hydrogen 2.517 N/A SER 534.A OG GLU 426.A OE1 no hydrogen 2.425 N/A PHE 536.A N PRO 533.A O no hydrogen 3.282 N/A ARG 537.A NH1 GLU 426.A OE2 no hydrogen 2.987 N/A ARG 537.A NH1 GLU 431.A OE2 no hydrogen 2.949 N/A ARG 537.A NH2 ASN 239.A O no hydrogen 3.542 N/A ARG 537.A NH2 GLU 431.A OE2 no hydrogen 2.560 N/A ARG 540.A N ARG 537.A O no hydrogen 3.113 N/A ARG 540.A NE GLU 244.A OE2 no hydrogen 2.887 N/A ARG 540.A NH1 GLU 426.A OE1 no hydrogen 2.603 N/A ARG 540.A NH1 GLU 426.A OE2 no hydrogen 3.548 N/A ARG 540.A NH1 SER 534.A O no hydrogen 2.595 N/A ARG 540.A NH2 GLU 244.A OE1 no hydrogen 3.132 N/A ARG 540.A NH2 GLU 426.A OE1 no hydrogen 3.393 N/A ARG 540.A NH2 GLU 426.A OE2 no hydrogen 2.961 N/A ASP 543.A N VAL 276.A O no hydrogen 2.967 N/A LEU 544.A N VAL 276.A O no hydrogen 3.234 N/A ILE 545.A N ILE 602.A O no hydrogen 2.757 N/A LEU 546.A N GLY 278.A O no hydrogen 2.873 N/A SER 547.A N LEU 604.A O no hydrogen 2.705 N/A SER 547.A OG HIS 605.A ND1 no hydrogen 3.017 N/A PHE 548.A N MET 280.A O no hydrogen 2.786 N/A ASP 549.A N PHE 606.A O no hydrogen 3.199 N/A TYR 550.A N THR 282.A OG1 no hydrogen 3.041 N/A TYR 550.A OH HIS 295.A ND1 no hydrogen 2.839 N/A SER 551.A N ASP 549.A OD2 no hydrogen 3.217 N/A SER 551.A OG SER 553.A O no hydrogen 1.976 N/A SER 551.A OG ALA 554.A O no hydrogen 3.232 N/A GLN 560.A N PHE 556.A O no hydrogen 3.091 N/A GLN 561.A N GLU 557.A O no hydrogen 2.916 N/A GLN 561.A NE2 GLU 557.A OE1 no hydrogen 3.267 N/A THR 562.A N ALA 558.A O no hydrogen 3.077 N/A THR 562.A OG1 SER 532.A OG no hydrogen 2.517 N/A THR 562.A OG1 ALA 558.A O no hydrogen 2.799 N/A GLU 563.A N LEU 559.A O no hydrogen 2.907 N/A LEU 564.A N GLN 560.A O no hydrogen 3.128 N/A TYR 565.A N GLN 561.A O no hydrogen 2.833 N/A CYS 566.A N THR 562.A O no hydrogen 2.997 N/A CYS 566.A SG THR 562.A O no hydrogen 3.385 N/A ARG 567.A N GLU 563.A O no hydrogen 2.768 N/A ALA 568.A N LEU 564.A O no hydrogen 2.889 N/A ARG 569.A N CYS 566.A O no hydrogen 2.849 N/A ARG 569.A NH1 TYR 565.A O no hydrogen 2.798 N/A GLY 570.A N ARG 567.A O no hydrogen 3.398 N/A LEU 571.A N CYS 566.A O no hydrogen 3.176 N/A ARG 575.A NE ASP 594.A OD1 no hydrogen 3.019 N/A VAL 576.A N GLU 563.A OE2 no hydrogen 3.354 N/A SER 579.A N ASP 582.A OD2 no hydrogen 3.314 N/A ASP 582.A N SER 579.A OG no hydrogen 3.375 N/A GLN 583.A N SER 579.A O no hydrogen 2.964 N/A HIS 584.A N PRO 580.A O no hydrogen 3.047 N/A HIS 584.A ND1 PRO 580.A O no hydrogen 2.634 N/A GLN 585.A N GLN 581.A O no hydrogen 3.050 N/A ARG 587.A N HIS 590.A NE2 no hydrogen 3.211 N/A GLU 588.A N GLU 588.A OE1 no hydrogen 2.851 N/A HIS 590.A N HIS 605.A O no hydrogen 2.978 N/A PHE 592.A N LEU 603.A O no hydrogen 2.863 N/A ILE 602.A N ASP 543.A O no hydrogen 2.831 N/A LEU 603.A N PHE 592.A O no hydrogen 3.238 N/A LEU 604.A N ILE 545.A O no hydrogen 3.034 N/A HIS 605.A N HIS 590.A O no hydrogen 2.929 N/A HIS 605.A ND1 SER 547.A OG no hydrogen 3.017 N/A HIS 605.A NE2 PRO 555.A O no hydrogen 2.840 N/A PHE 606.A N SER 547.A O no hydrogen 2.771 N/A ASN 610.A ND2 GLY 631.A O no hydrogen 2.941 N/A SER 612.A N GLU 588.A OE2 no hydrogen 3.038 N/A SER 612.A OG GLU 588.A OE2 no hydrogen 2.894 N/A SER 612.A OG TYR 663.A OH no hydrogen 2.591 N/A PHE 613.A N ASN 610.A O no hydrogen 3.330 N/A LYS 614.A N ALA 611.A O no hydrogen 3.254 N/A HIS 616.A ND1 SER 612.A O no hydrogen 2.899 N/A HIS 616.A ND1 ASP 615.A OD1 no hydrogen 2.840 N/A VAL 621.A N ALA 618.A O no hydrogen 2.959 N/A ARG 623.A N ASP 615.A O no hydrogen 2.973 N/A ARG 623.A NE PHE 613.A O no hydrogen 3.158 N/A ARG 623.A NH1 GLU 627.A O no hydrogen 2.398 N/A ARG 623.A NH2 PHE 613.A O no hydrogen 3.262 N/A ARG 623.A NH2 HIS 616.A O no hydrogen 3.262 N/A ALA 626.A N SER 624.A OG no hydrogen 2.709 N/A GLY 631.A N LEU 628.A O no hydrogen 3.123 N/A GLN 632.A N GLN 629.A O no hydrogen 2.758 N/A THR 639.A OG1 ALA 638.A O no hydrogen 2.546 N/A CYS 640.A SG ASP 634.A O no hydrogen 3.249 N/A TYR 642.A OH ASP 653.A O no hydrogen 2.389 N/A ASN 646.A N THR 643.A O no hydrogen 3.096 N/A ASN 646.A ND2 PRO 641.A O no hydrogen 2.855 N/A ASN 646.A ND2 THR 648.A O no hydrogen 3.077 N/A THR 648.A N ASN 646.A OD1 no hydrogen 3.060 N/A THR 648.A OG1 ASN 646.A OD1 no hydrogen 3.290 N/A TYR 649.A N LEU 346.A O no hydrogen 2.996 N/A PHE 654.A N LYS 650.A O no hydrogen 2.990 N/A GLU 655.A N GLU 651.A O no hydrogen 3.018 N/A ARG 656.A N GLU 652.A O no hydrogen 3.262 N/A ARG 656.A NH2 GLU 652.A OE1 no hydrogen 3.307 N/A LEU 657.A N ASP 653.A O no hydrogen 3.456 N/A LEU 658.A N PHE 654.A O no hydrogen 2.936 N/A ARG 659.A N GLU 655.A O no hydrogen 2.881 N/A LEU 660.A N ARG 656.A O no hydrogen 2.827 N/A SER 661.A N LEU 657.A O no hydrogen 3.007 N/A SER 661.A OG SER 291.A OG no hydrogen 2.640 N/A SER 661.A OG LEU 657.A O no hydrogen 2.908 N/A ASP 662.A N LEU 658.A O no hydrogen 2.932 N/A TYR 663.A N ARG 659.A O no hydrogen 2.919 N/A TYR 663.A OH SER 612.A OG no hydrogen 2.591 N/A ASN 664.A N LEU 660.A O no hydrogen 3.022 N/A ASN 664.A ND2 VAL 609.A O no hydrogen 3.123 N/A VAL 665.A N SER 661.A O no hydrogen 3.297 N/A GLN 666.A N ASP 662.A O no hydrogen 2.916 N/A THR 667.A N TYR 663.A O no hydrogen 2.830 N/A SER 668.A N VAL 665.A O no hydrogen 2.962 N/A SER 668.A OG ASN 664.A O no hydrogen 2.674 N/A GLN 669.A N GLN 666.A O no hydrogen 3.139 N/A ILE 672.A N SER 668.A O no hydrogen 3.120 N/A LEU 673.A N GLN 669.A O no hydrogen 2.873 N/A GLN 674.A N GLY 670.A O no hydrogen 2.714 N/A ALA 675.A N ALA 671.A O no hydrogen 2.821 N/A LEU 676.A N ILE 672.A O no hydrogen 2.749 N/A ARG 677.A N LEU 673.A O no hydrogen 2.808 N/A THR 678.A N GLN 674.A O no hydrogen 3.002 N/A THR 678.A OG1 GLN 674.A O no hydrogen 2.707 N/A ALA 679.A N ALA 675.A O no hydrogen 2.841 N/A LEU 680.A N LEU 676.A O no hydrogen 3.253 N/A LEU 680.A N ARG 677.A O no hydrogen 3.049 N/A HIS 682.A N THR 678.A O no hydrogen 3.181 N/A ARG 683.A N ALA 679.A O no hydrogen 3.094 N/A ARG 683.A NH1 VAL 274.A O no hydrogen 3.007 N/A THR 684.A N LEU 680.A O no hydrogen 3.287 N/A THR 684.A OG1 LYS 681.A O no hydrogen 2.883 N/A