Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7d4q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 14.A OG GLU 17.A OE2 no hydrogen 3.298 N/A GLU 17.A N SER 14.A OG no hydrogen 3.129 N/A LYS 18.A N SER 14.A O no hydrogen 3.044 N/A ALA 19.A N ALA 15.A O no hydrogen 3.126 N/A PHE 20.A N GLU 16.A O no hydrogen 2.781 N/A LEU 21.A N GLU 17.A O no hydrogen 3.408 N/A ASN 22.A N LYS 18.A O no hydrogen 2.881 N/A ALA 23.A N ALA 19.A O no hydrogen 2.888 N/A VAL 24.A N PHE 20.A O no hydrogen 2.937 N/A GLU 25.A N LEU 21.A O no hydrogen 2.889 N/A LYS 26.A N ASN 22.A O no hydrogen 2.894 N/A LYS 26.A NZ TYR 662.A OH no hydrogen 3.332 N/A GLY 27.A N VAL 24.A O no hydrogen 3.166 N/A ASP 28.A N ALA 23.A O no hydrogen 3.219 N/A THR 31.A OG1 ASP 28.A O no hydrogen 3.162 N/A VAL 32.A N ASP 28.A O no hydrogen 3.273 N/A LYS 33.A N TYR 29.A O no hydrogen 2.907 N/A GLN 34.A N ALA 30.A O no hydrogen 2.907 N/A ALA 35.A N THR 31.A O no hydrogen 2.889 N/A LEU 36.A N VAL 32.A O no hydrogen 2.907 N/A GLN 37.A N LYS 33.A O no hydrogen 2.921 N/A GLU 38.A N GLN 34.A O no hydrogen 2.886 N/A ALA 39.A N ALA 35.A O no hydrogen 2.903 N/A ILE 41.A N GLU 38.A O no hydrogen 3.266 N/A TYR 42.A N GLU 38.A O no hydrogen 2.914 N/A TYR 43.A N ALA 39.A O no hydrogen 2.952 N/A ASN 44.A ND2 GLU 38.A OE2 no hydrogen 3.484 N/A ASN 48.A N ASN 46.A OD1 no hydrogen 3.451 N/A ASN 48.A ND2 ASN 46.A OD1 no hydrogen 3.536 N/A CYS 49.A N ASN 46.A O no hydrogen 3.202 N/A CYS 49.A SG ASN 46.A O no hydrogen 3.142 N/A GLY 54.A N ASP 51.A O no hydrogen 2.871 N/A ILE 60.A N SER 56.A O no hydrogen 3.015 N/A ALA 61.A N ALA 57.A O no hydrogen 2.913 N/A ILE 62.A N LEU 58.A O no hydrogen 2.889 N/A GLU 63.A N LEU 59.A O no hydrogen 2.903 N/A ASN 64.A N ILE 60.A O no hydrogen 3.086 N/A GLU 65.A N ILE 62.A O no hydrogen 3.127 N/A ASN 66.A N ALA 61.A O no hydrogen 3.152 N/A ASN 66.A ND2 GLN 655.A OE1 no hydrogen 2.496 N/A ILE 69.A N ASN 66.A OD1 no hydrogen 3.099 N/A MET 70.A N ASN 66.A O no hydrogen 3.037 N/A GLU 71.A N LEU 67.A O no hydrogen 2.890 N/A LEU 72.A N GLU 68.A O no hydrogen 2.904 N/A LEU 73.A N ILE 69.A O no hydrogen 2.885 N/A LEU 74.A N MET 70.A O no hydrogen 2.923 N/A ASN 75.A N GLU 71.A O no hydrogen 2.896 N/A HIS 76.A N LEU 72.A O no hydrogen 3.287 N/A HIS 76.A N LEU 73.A O no hydrogen 3.124 N/A HIS 76.A ND1 LEU 72.A O no hydrogen 2.870 N/A SER 77.A N LEU 74.A O no hydrogen 3.061 N/A TYR 79.A N ASN 48.A OD1 no hydrogen 2.823 N/A ALA 83.A N VAL 80.A O no hydrogen 3.052 N/A TYR 86.A N ASP 82.A O no hydrogen 3.446 N/A ALA 87.A N ALA 83.A O no hydrogen 2.923 N/A ILE 88.A N LEU 84.A O no hydrogen 2.877 N/A ARG 89.A N LEU 85.A O no hydrogen 2.902 N/A ARG 89.A NH1 GLU 107.A OE1 no hydrogen 2.875 N/A ARG 89.A NH2 GLU 107.A OE1 no hydrogen 2.621 N/A LYS 90.A N TYR 86.A O no hydrogen 2.913 N/A LYS 90.A NZ GLU 63.A O no hydrogen 3.296 N/A LYS 90.A NZ GLU 652.A OE2 no hydrogen 2.735 N/A GLU 91.A N ILE 88.A O no hydrogen 3.032 N/A LEU 98.A N GLY 94.A O no hydrogen 3.025 N/A LEU 99.A N ALA 95.A O no hydrogen 2.803 N/A LEU 100.A N VAL 96.A O no hydrogen 2.354 N/A SER 101.A N GLU 97.A O no hydrogen 3.119 N/A SER 101.A OG GLU 97.A O no hydrogen 3.323 N/A SER 101.A OG LEU 98.A O no hydrogen 3.152 N/A TYR 102.A N LEU 99.A O no hydrogen 3.116 N/A THR 103.A OG1 THR 103.A O no hydrogen 2.616 N/A SER 106.A OG ASP 82.A OD2 no hydrogen 3.110 N/A SER 106.A OG PHE 108.A O no hydrogen 3.434 N/A GLU 107.A N TYR 86.A OH no hydrogen 3.267 N/A PHE 108.A N SER 106.A OG no hydrogen 3.172 N/A THR 109.A OG1 ASP 111.A OD1 no hydrogen 2.254 N/A ILE 112.A N THR 109.A O no hydrogen 3.064 N/A LEU 117.A N THR 113.A O no hydrogen 2.839 N/A ALA 118.A N PRO 114.A O no hydrogen 2.913 N/A ALA 119.A N ILE 115.A O no hydrogen 2.894 N/A HIS 120.A N MET 116.A O no hydrogen 2.904 N/A HIS 120.A NE2 ASN 167.A O no hydrogen 2.853 N/A THR 121.A N LEU 117.A O no hydrogen 2.923 N/A THR 121.A OG1 ALA 118.A O no hydrogen 2.658 N/A ASN 122.A N ALA 118.A O no hydrogen 3.064 N/A ASN 122.A N ALA 119.A O no hydrogen 3.115 N/A ASN 123.A ND2 GLU 91.A OE1 no hydrogen 3.530 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.511 N/A ILE 126.A N ASN 123.A OD1 no hydrogen 3.155 N/A ILE 127.A N ASN 123.A O no hydrogen 2.954 N/A LYS 128.A N TYR 124.A O no hydrogen 2.884 N/A LEU 129.A N GLU 125.A O no hydrogen 2.911 N/A LEU 130.A N ILE 126.A O no hydrogen 2.929 N/A VAL 131.A N ILE 127.A O no hydrogen 2.882 N/A GLN 132.A N LYS 128.A O no hydrogen 2.909 N/A LYS 133.A N LEU 130.A O no hydrogen 3.288 N/A CYS 145.A N GLN 142.A O no hydrogen 3.171 N/A CYS 145.A SG HIS 141.A ND1 no hydrogen 3.955 N/A CYS 147.A SG HIS 141.A ND1 no hydrogen 3.638 N/A CYS 150.A SG HIS 141.A ND1 no hydrogen 2.857 N/A VAL 151.A N CYS 147.A O no hydrogen 3.292 N/A SER 152.A N VAL 148.A O no hydrogen 2.909 N/A SER 153.A N GLU 149.A O no hydrogen 2.912 N/A SER 153.A OG GLU 149.A O no hydrogen 3.173 N/A SER 153.A OG CYS 150.A O no hydrogen 2.798 N/A SER 153.A OG HIS 161.A ND1 no hydrogen 3.224 N/A SER 154.A N CYS 150.A O no hydrogen 2.902 N/A GLU 155.A N VAL 151.A O no hydrogen 2.905 N/A VAL 156.A N SER 152.A O no hydrogen 2.902 N/A ASP 157.A N SER 153.A O no hydrogen 2.980 N/A SER 158.A OG SER 154.A O no hydrogen 2.488 N/A ARG 160.A N ASP 157.A OD1 no hydrogen 2.783 N/A ARG 160.A NE ASP 157.A OD2 no hydrogen 3.466 N/A ARG 160.A NH1 ASP 157.A OD2 no hydrogen 3.551 N/A HIS 161.A N ASP 157.A O no hydrogen 3.176 N/A SER 162.A N SER 158.A O no hydrogen 2.919 N/A ARG 163.A N LEU 159.A O no hydrogen 2.914 N/A SER 164.A N ARG 160.A O no hydrogen 2.895 N/A SER 164.A OG ARG 160.A O no hydrogen 2.869 N/A ARG 165.A N HIS 161.A O no hydrogen 2.956 N/A LEU 166.A N SER 162.A O no hydrogen 2.952 N/A ASN 167.A N ARG 163.A O no hydrogen 2.899 N/A ASN 167.A ND2 ASP 111.A OD1 no hydrogen 3.400 N/A ASN 167.A ND2 ASP 111.A OD2 no hydrogen 2.713 N/A ILE 168.A N SER 164.A O no hydrogen 2.933 N/A TYR 169.A N ARG 165.A O no hydrogen 2.970 N/A TYR 169.A OH GLU 195.A OE2 no hydrogen 2.899 N/A LYS 170.A N LEU 166.A O no hydrogen 2.875 N/A ALA 171.A N ASN 167.A O no hydrogen 2.921 N/A LEU 172.A N ILE 168.A O no hydrogen 2.922 N/A ALA 173.A N TYR 169.A O no hydrogen 3.008 N/A SER 174.A N ALA 171.A O no hydrogen 3.291 N/A SER 174.A OG ALA 119.A O no hydrogen 3.161 N/A SER 174.A OG ASN 122.A OD1 no hydrogen 3.036 N/A SER 176.A N ASN 122.A OD1 no hydrogen 2.948 N/A SER 176.A OG ASN 122.A OD1 no hydrogen 2.913 N/A ILE 178.A N SER 174.A O no hydrogen 2.935 N/A ALA 179.A N PRO 175.A O no hydrogen 2.895 N/A LEU 180.A N SER 176.A O no hydrogen 3.021 N/A SER 181.A OG LEU 177.A O no hydrogen 3.003 N/A THR 188.A N ASP 184.A O no hydrogen 2.918 N/A THR 188.A OG1 SER 182.A OG no hydrogen 2.934 N/A THR 188.A OG1 ASP 184.A O no hydrogen 2.928 N/A ALA 189.A N PRO 185.A O no hydrogen 2.887 N/A PHE 190.A N ILE 186.A O no hydrogen 2.931 N/A ARG 191.A N LEU 187.A O no hydrogen 2.951 N/A LEU 192.A N THR 188.A O no hydrogen 2.868 N/A GLY 193.A N ALA 189.A O no hydrogen 2.892 N/A TRP 194.A N PHE 190.A O no hydrogen 2.968 N/A GLU 195.A N ARG 191.A O no hydrogen 2.911 N/A LEU 196.A N LEU 192.A O no hydrogen 2.889 N/A LYS 197.A N GLY 193.A O no hydrogen 2.917 N/A GLU 198.A N TRP 194.A O no hydrogen 2.953 N/A LEU 199.A N GLU 195.A O no hydrogen 2.884 N/A SER 200.A N LEU 196.A O no hydrogen 2.878 N/A SER 200.A OG LYS 207.A O no hydrogen 3.322 N/A LYS 201.A N LYS 197.A O no hydrogen 2.964 N/A VAL 202.A N GLU 198.A O no hydrogen 2.910 N/A GLU 203.A N LEU 199.A O no hydrogen 2.644 N/A TYR 210.A N PHE 206.A O no hydrogen 3.280 N/A GLU 211.A N LYS 207.A O no hydrogen 2.933 N/A GLU 212.A N ALA 208.A O no hydrogen 2.906 N/A LEU 213.A N GLU 209.A O no hydrogen 2.934 N/A SER 214.A N TYR 210.A O no hydrogen 2.932 N/A SER 214.A OG GLY 193.A O no hydrogen 2.847 N/A GLN 215.A N GLU 211.A O no hydrogen 2.927 N/A GLN 215.A NE2 GLU 257.A OE2 no hydrogen 3.491 N/A GLN 216.A N GLU 212.A O no hydrogen 2.876 N/A GLN 216.A NE2 ALA 173.A O no hydrogen 2.341 N/A CYS 217.A N LEU 213.A O no hydrogen 2.983 N/A CYS 217.A SG LEU 213.A O no hydrogen 3.729 N/A LYS 218.A N SER 214.A O no hydrogen 2.957 N/A LYS 218.A NZ HIS 254.A O no hydrogen 3.501 N/A LYS 218.A NZ GLN 255.A OE1 no hydrogen 3.519 N/A LEU 219.A N GLN 215.A O no hydrogen 2.903 N/A PHE 220.A N GLN 216.A O no hydrogen 2.911 N/A ALA 221.A N CYS 217.A O no hydrogen 3.003 N/A LYS 222.A N LYS 218.A O no hydrogen 2.973 N/A ASP 223.A N LEU 219.A O no hydrogen 2.868 N/A LEU 224.A N PHE 220.A O no hydrogen 2.933 N/A LEU 225.A N ALA 221.A O no hydrogen 3.009 N/A ASP 226.A N LYS 222.A O no hydrogen 2.870 N/A GLN 227.A N ASP 223.A O no hydrogen 3.007 N/A GLN 227.A N LEU 224.A O no hydrogen 3.209 N/A ALA 228.A N LEU 225.A O no hydrogen 3.131 N/A ARG 229.A N GLU 233.A OE1 no hydrogen 3.182 N/A LEU 234.A N SER 230.A O no hydrogen 3.215 N/A GLU 235.A N SER 231.A O no hydrogen 2.900 N/A ILE 236.A N ARG 232.A O no hydrogen 2.935 N/A ILE 237.A N GLU 233.A O no hydrogen 2.903 N/A LEU 238.A N LEU 234.A O no hydrogen 2.926 N/A ASN 239.A N GLU 235.A O no hydrogen 2.914 N/A HIS 240.A N ILE 237.A O no hydrogen 3.431 N/A HIS 240.A NE2 ASN 621.A OD1 no hydrogen 3.079 N/A ARG 241.A N GLN 620.A OE1 no hydrogen 2.920 N/A LYS 246.A N LEU 238.A O no hydrogen 2.920 N/A LYS 246.A NZ ASP 184.A OD2 no hydrogen 3.142 N/A LEU 247.A N LEU 238.A O no hydrogen 3.446 N/A LYS 248.A N LEU 244.A O no hydrogen 3.003 N/A LYS 248.A NZ ASP 243.A O no hydrogen 3.397 N/A VAL 249.A N ALA 245.A O no hydrogen 2.932 N/A ALA 250.A N LYS 246.A O no hydrogen 2.873 N/A ILE 251.A N LEU 247.A O no hydrogen 2.916 N/A LYS 252.A N LYS 248.A O no hydrogen 2.901 N/A TYR 253.A N VAL 249.A O no hydrogen 3.148 N/A HIS 254.A N ILE 251.A O no hydrogen 3.158 N/A GLN 255.A N ALA 250.A O no hydrogen 3.077 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.677 N/A VAL 259.A N GLN 255.A O no hydrogen 2.988 N/A ALA 260.A N LYS 256.A O no hydrogen 2.881 N/A GLN 261.A N PHE 258.A O no hydrogen 3.434 N/A GLN 261.A NE2 ASP 226.A OD1 no hydrogen 2.879 N/A GLN 261.A NE2 ASN 263.A OD1 no hydrogen 2.987 N/A CYS 264.A SG VAL 259.A O no hydrogen 3.219 N/A GLN 265.A N GLN 261.A O no hydrogen 2.749 N/A GLN 265.A NE2 VAL 259.A O no hydrogen 2.478 N/A GLN 265.A NE2 THR 596.A OG1 no hydrogen 3.015 N/A GLN 266.A N PRO 262.A O no hydrogen 2.885 N/A LEU 267.A N ASN 263.A O no hydrogen 2.952 N/A LEU 268.A N CYS 264.A O no hydrogen 2.920 N/A ALA 269.A N GLN 265.A O no hydrogen 2.842 N/A THR 270.A N GLN 266.A O no hydrogen 2.951 N/A THR 270.A OG1 GLN 266.A O no hydrogen 3.487 N/A THR 270.A OG1 LEU 267.A O no hydrogen 2.543 N/A LEU 271.A N LEU 267.A O no hydrogen 2.979 N/A TRP 272.A N LEU 268.A O no hydrogen 2.848 N/A TYR 273.A N ALA 269.A O no hydrogen 3.021 N/A VAL 285.A N HIS 283.A ND1 no hydrogen 3.258 N/A LYS 287.A N HIS 283.A O no hydrogen 3.082 N/A LEU 288.A N TRP 284.A O no hydrogen 2.927 N/A LEU 289.A N VAL 285.A O no hydrogen 2.896 N/A THR 290.A N VAL 286.A O no hydrogen 2.913 N/A THR 290.A OG1 VAL 286.A O no hydrogen 2.843 N/A CYS 291.A N LYS 287.A O no hydrogen 2.907 N/A CYS 291.A SG LYS 287.A O no hydrogen 3.233 N/A MET 292.A N LEU 288.A O no hydrogen 2.921 N/A THR 293.A N LEU 289.A O no hydrogen 2.899 N/A THR 293.A OG1 LEU 289.A O no hydrogen 2.870 N/A ILE 294.A N THR 290.A O no hydrogen 2.927 N/A GLY 295.A N CYS 291.A O no hydrogen 2.891 N/A PHE 296.A N MET 292.A O no hydrogen 2.916 N/A LEU 297.A N ILE 294.A O no hydrogen 3.216 N/A PHE 298.A N GLY 295.A O no hydrogen 3.256 N/A LEU 301.A N LEU 297.A O no hydrogen 3.101 N/A SER 302.A N PHE 298.A O no hydrogen 2.933 N/A SER 302.A OG PHE 298.A O no hydrogen 2.947 N/A ILE 303.A N PRO 299.A O no hydrogen 2.903 N/A ALA 304.A N MET 300.A O no hydrogen 2.885 N/A TYR 305.A N LEU 301.A O no hydrogen 2.923 N/A LEU 306.A N SER 302.A O no hydrogen 2.924 N/A ILE 307.A N ILE 303.A O no hydrogen 2.893 N/A SER 308.A N ALA 304.A O no hydrogen 3.005 N/A SER 311.A OG SER 308.A O no hydrogen 3.147 N/A GLY 314.A N SER 311.A OG no hydrogen 2.672 N/A LEU 315.A N SER 311.A O no hydrogen 3.376 N/A LYS 318.A N LEU 315.A O no hydrogen 3.315 N/A PHE 321.A N TRP 272.A O no hydrogen 3.221 N/A LYS 323.A N LYS 319.A O no hydrogen 2.755 N/A PHE 324.A N PRO 320.A O no hydrogen 2.911 N/A ILE 325.A N PHE 321.A O no hydrogen 2.925 N/A CYS 326.A N ILE 322.A O no hydrogen 2.894 N/A CYS 326.A SG ILE 322.A O no hydrogen 3.309 N/A HIS 327.A N LYS 323.A O no hydrogen 2.944 N/A HIS 327.A NE2 THR 608.A O no hydrogen 2.838 N/A THR 328.A N PHE 324.A O no hydrogen 2.914 N/A THR 328.A OG1 PHE 324.A O no hydrogen 2.889 N/A ALA 329.A N ILE 325.A O no hydrogen 2.868 N/A SER 330.A N CYS 326.A O no hydrogen 2.902 N/A SER 330.A OG PRO 611.A O no hydrogen 2.418 N/A TYR 331.A N HIS 327.A O no hydrogen 2.954 N/A TYR 331.A OH SER 441.A O no hydrogen 3.027 N/A LEU 332.A N THR 328.A O no hydrogen 2.887 N/A THR 333.A N ALA 329.A O no hydrogen 2.900 N/A THR 333.A OG1 ALA 329.A O no hydrogen 3.300 N/A THR 333.A OG1 SER 330.A O no hydrogen 2.610 N/A PHE 334.A N SER 330.A O no hydrogen 2.952 N/A LEU 335.A N TYR 331.A O no hydrogen 2.919 N/A PHE 336.A N LEU 332.A O no hydrogen 2.878 N/A MET 337.A N THR 333.A O no hydrogen 2.915 N/A LEU 338.A N PHE 334.A O no hydrogen 2.914 N/A LEU 339.A N LEU 335.A O no hydrogen 2.910 N/A LEU 340.A N PHE 336.A O no hydrogen 2.913 N/A ALA 341.A N MET 337.A O no hydrogen 2.896 N/A ALA 341.A N LEU 338.A O no hydrogen 3.282 N/A SER 342.A N LEU 339.A O no hydrogen 3.467 N/A SER 342.A OG SER 342.A O no hydrogen 2.654 N/A GLN 343.A N LEU 340.A O no hydrogen 3.237 N/A HIS 346.A N ASP 344.A OD1 no hydrogen 3.142 N/A TRP 357.A N THR 353.A O no hydrogen 2.806 N/A MET 358.A N VAL 354.A O no hydrogen 2.917 N/A ILE 359.A N VAL 355.A O no hydrogen 2.871 N/A LEU 360.A N GLU 356.A O no hydrogen 2.935 N/A TRP 362.A NE1 SER 330.A OG no hydrogen 3.116 N/A VAL 363.A N ILE 359.A O no hydrogen 3.200 N/A LEU 364.A N LEU 360.A O no hydrogen 2.944 N/A GLY 365.A N PRO 361.A O no hydrogen 2.856 N/A PHE 366.A N TRP 362.A O no hydrogen 2.893 N/A ILE 367.A N VAL 363.A O no hydrogen 2.968 N/A TRP 368.A N LEU 364.A O no hydrogen 2.897 N/A GLY 369.A N GLY 365.A O no hydrogen 2.853 N/A GLU 370.A N PHE 366.A O no hydrogen 2.944 N/A ILE 371.A N ILE 367.A O no hydrogen 2.969 N/A LYS 372.A N TRP 368.A O no hydrogen 2.859 N/A GLU 373.A N GLY 369.A O no hydrogen 2.890 N/A MET 374.A N GLU 370.A O no hydrogen 2.944 N/A TRP 375.A N ILE 371.A O no hydrogen 2.880 N/A ASP 376.A N LYS 372.A O no hydrogen 2.895 N/A GLY 377.A N GLU 373.A O no hydrogen 2.900 N/A TYR 382.A OH GLU 370.A OE2 no hydrogen 2.848 N/A ILE 383.A N PHE 379.A O no hydrogen 3.051 N/A HIS 384.A N THR 380.A O no hydrogen 2.916 N/A TRP 387.A N ASP 385.A OD1 no hydrogen 3.398 N/A ASN 388.A ND2 TYR 382.A O no hydrogen 2.405 N/A ASP 391.A N TRP 387.A O no hydrogen 3.404 N/A PHE 392.A N ASN 388.A O no hydrogen 2.866 N/A ALA 393.A N LEU 389.A O no hydrogen 2.922 N/A MET 394.A N MET 390.A O no hydrogen 2.870 N/A ASN 395.A N ASP 391.A O no hydrogen 2.901 N/A SER 396.A N PHE 392.A O no hydrogen 2.884 N/A SER 396.A OG PHE 392.A O no hydrogen 2.968 N/A SER 396.A OG ALA 393.A O no hydrogen 2.719 N/A LEU 397.A N ALA 393.A O no hydrogen 2.914 N/A TYR 398.A N MET 394.A O no hydrogen 2.885 N/A TYR 398.A OH SER 441.A OG no hydrogen 2.743 N/A LEU 399.A N ASN 395.A O no hydrogen 2.889 N/A ALA 400.A N SER 396.A O no hydrogen 2.898 N/A THR 401.A N LEU 397.A O no hydrogen 2.870 N/A THR 401.A OG1 LEU 397.A O no hydrogen 2.699 N/A ILE 402.A N TYR 398.A O no hydrogen 2.916 N/A SER 403.A N LEU 399.A O no hydrogen 2.903 N/A SER 403.A OG LEU 399.A O no hydrogen 2.871 N/A LEU 404.A N ALA 400.A O no hydrogen 2.902 N/A LYS 405.A N THR 401.A O no hydrogen 2.892 N/A ILE 406.A N ILE 402.A O no hydrogen 2.928 N/A VAL 407.A N SER 403.A O no hydrogen 2.900 N/A ALA 408.A N LEU 404.A O no hydrogen 2.896 N/A TYR 409.A N LYS 405.A O no hydrogen 2.894 N/A VAL 410.A N ILE 406.A O no hydrogen 2.935 N/A TYR 412.A N ALA 408.A O no hydrogen 3.226 N/A ARG 418.A NH1 LEU 345.A O no hydrogen 2.966 N/A ARG 418.A NH1 GLU 431.A OE2 no hydrogen 3.539 N/A ARG 418.A NH2 GLU 431.A OE1 no hydrogen 2.598 N/A ARG 418.A NH2 GLU 431.A OE2 no hydrogen 3.125 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.672 N/A GLU 420.A N PRO 417.A O no hydrogen 3.321 N/A TRP 421.A N ARG 418.A O no hydrogen 3.247 N/A TRP 421.A NE1 ARG 416.A O no hydrogen 2.559 N/A HIS 425.A N GLU 422.A O no hydrogen 3.319 N/A THR 427.A N HIS 425.A ND1 no hydrogen 3.230 N/A ILE 429.A N HIS 425.A O no hydrogen 3.254 N/A ALA 430.A N PRO 426.A O no hydrogen 2.903 N/A GLU 431.A N THR 427.A O no hydrogen 2.895 N/A ALA 432.A N LEU 428.A O no hydrogen 2.944 N/A LEU 433.A N ILE 429.A O no hydrogen 2.919 N/A PHE 434.A N ALA 430.A O no hydrogen 2.886 N/A ALA 435.A N GLU 431.A O no hydrogen 2.906 N/A ILE 436.A N ALA 432.A O no hydrogen 2.981 N/A SER 437.A N LEU 433.A O no hydrogen 2.889 N/A SER 437.A OG LEU 433.A O no hydrogen 2.476 N/A ASN 438.A N PHE 434.A O no hydrogen 2.869 N/A ILE 439.A N ALA 435.A O no hydrogen 2.984 N/A LEU 440.A N ILE 436.A O no hydrogen 2.968 N/A SER 441.A N SER 437.A O no hydrogen 2.821 N/A SER 441.A OG TYR 398.A OH no hydrogen 2.743 N/A SER 441.A OG SER 437.A O no hydrogen 2.716 N/A SER 442.A N ASN 438.A O no hydrogen 2.960 N/A SER 442.A OG ASN 438.A O no hydrogen 3.153 N/A LEU 443.A N ILE 439.A O no hydrogen 2.920 N/A ARG 444.A N LEU 440.A O no hydrogen 2.907 N/A ARG 444.A N SER 441.A O no hydrogen 3.154 N/A ARG 444.A NE ASP 391.A OD1 no hydrogen 2.351 N/A ARG 444.A NH2 ASP 391.A OD2 no hydrogen 2.631 N/A LEU 445.A N SER 442.A O no hydrogen 3.471 N/A ILE 446.A N LEU 443.A O no hydrogen 3.231 N/A SER 447.A N ARG 444.A O no hydrogen 3.444 N/A SER 447.A OG ARG 444.A O no hydrogen 2.867 N/A LEU 448.A N LEU 445.A O no hydrogen 3.161 N/A PHE 449.A N ILE 446.A O no hydrogen 2.963 N/A THR 450.A OG1 SER 447.A O no hydrogen 3.189 N/A THR 450.A OG1 GLN 459.A OE1 no hydrogen 3.214 N/A ALA 451.A N LEU 448.A O no hydrogen 3.280 N/A ASN 452.A N PHE 449.A O no hydrogen 3.303 N/A LEU 455.A N ASN 452.A OD1 no hydrogen 2.734 N/A GLY 456.A N ASN 452.A O no hydrogen 3.092 N/A GLN 459.A N LEU 455.A O no hydrogen 3.096 N/A ILE 460.A N GLY 456.A O no hydrogen 2.952 N/A SER 461.A N PRO 457.A O no hydrogen 2.918 N/A SER 461.A OG PRO 457.A O no hydrogen 2.868 N/A LEU 462.A N LEU 458.A O no hydrogen 2.943 N/A GLY 463.A N GLN 459.A O no hydrogen 2.894 N/A ARG 464.A N ILE 460.A O no hydrogen 2.961 N/A MET 465.A N SER 461.A O no hydrogen 2.946 N/A LEU 466.A N LEU 462.A O no hydrogen 2.982 N/A LEU 466.A N GLY 463.A O no hydrogen 3.272 N/A ILE 469.A N MET 465.A O no hydrogen 3.038 N/A LEU 470.A N LEU 466.A O no hydrogen 2.870 N/A LYS 471.A N LEU 467.A O no hydrogen 2.930 N/A PHE 472.A N ASP 468.A O no hydrogen 2.974 N/A LEU 473.A N ILE 469.A O no hydrogen 2.932 N/A LEU 473.A N LEU 470.A O no hydrogen 3.085 N/A TYR 476.A N PHE 472.A O no hydrogen 3.038 N/A TYR 476.A OH TYR 560.A OH no hydrogen 2.902 N/A CYS 477.A N LEU 473.A O no hydrogen 2.863 N/A CYS 477.A SG LEU 473.A O no hydrogen 3.176 N/A LEU 478.A N PHE 474.A O no hydrogen 2.943 N/A VAL 479.A N ILE 475.A O no hydrogen 3.034 N/A LEU 480.A N TYR 476.A O no hydrogen 2.866 N/A LEU 481.A N CYS 477.A O no hydrogen 2.886 N/A ALA 482.A N LEU 478.A O no hydrogen 2.964 N/A PHE 483.A N VAL 479.A O no hydrogen 3.009 N/A ALA 484.A N LEU 480.A O no hydrogen 2.874 N/A ASN 485.A N LEU 481.A O no hydrogen 2.899 N/A GLY 486.A N ALA 482.A O no hydrogen 3.020 N/A LEU 487.A N PHE 483.A O no hydrogen 2.894 N/A ASN 488.A N ALA 484.A O no hydrogen 2.897 N/A GLN 489.A N ASN 485.A O no hydrogen 2.927 N/A LEU 490.A N GLY 486.A O no hydrogen 2.971 N/A TYR 491.A N LEU 487.A O no hydrogen 2.911 N/A TYR 491.A OH THR 540.A O no hydrogen 3.114 N/A PHE 492.A N ASN 488.A O no hydrogen 2.929 N/A TYR 494.A N TYR 491.A O no hydrogen 3.305 N/A TYR 494.A OH HIS 546.A ND1 no hydrogen 2.537 N/A THR 496.A N ASN 515.A OD1 no hydrogen 3.107 N/A THR 496.A OG1 GLU 501.A OE2 no hydrogen 2.530 N/A ASP 500.A N ARG 497.A O no hydrogen 3.220 N/A GLU 501.A N ALA 498.A O no hydrogen 3.150 N/A ASN 504.A N GLU 501.A O no hydrogen 3.336 N/A LYS 506.A NZ GLU 495.A OE2 no hydrogen 3.095 N/A LYS 506.A NZ THR 496.A O no hydrogen 3.154 N/A GLY 507.A N ASN 514.A OD1 no hydrogen 3.319 N/A ILE 508.A N GLU 522.A OE2 no hydrogen 2.903 N/A CYS 510.A SG GLY 507.A O no hydrogen 3.800 N/A GLN 513.A N TYR 538.A OH no hydrogen 3.019 N/A GLN 513.A NE2 ILE 508.A O no hydrogen 3.279 N/A GLN 513.A NE2 LEU 534.A O no hydrogen 2.902 N/A ASN 514.A N GLY 507.A O no hydrogen 3.060 N/A ASN 514.A ND2 CYS 505.A O no hydrogen 3.259 N/A ASN 514.A ND2 LYS 512.A O no hydrogen 2.926 N/A ASN 515.A ND2 THR 496.A OG1 no hydrogen 2.955 N/A ASN 515.A ND2 GLU 501.A OE2 no hydrogen 3.020 N/A ASN 515.A ND2 ASN 514.A OD1 no hydrogen 2.858 N/A SER 518.A OG ASN 515.A OD1 no hydrogen 2.840 N/A GLU 522.A N THR 519.A OG1 no hydrogen 3.239 N/A THR 523.A N THR 519.A O no hydrogen 2.697 N/A THR 523.A OG1 THR 519.A O no hydrogen 2.471 N/A LEU 524.A N LEU 520.A O no hydrogen 2.877 N/A GLN 525.A N PHE 521.A O no hydrogen 3.031 N/A SER 526.A N GLU 522.A O no hydrogen 2.849 N/A SER 526.A OG ALA 516.A O no hydrogen 2.796 N/A SER 526.A OG GLU 522.A O no hydrogen 2.944 N/A LEU 527.A N THR 523.A O no hydrogen 2.919 N/A PHE 528.A N LEU 524.A O no hydrogen 2.933 N/A TRP 529.A N GLN 525.A O no hydrogen 2.925 N/A SER 530.A N SER 526.A O no hydrogen 2.997 N/A SER 530.A OG SER 526.A O no hydrogen 3.511 N/A SER 530.A OG LEU 527.A O no hydrogen 2.788 N/A VAL 531.A N PHE 528.A O no hydrogen 3.142 N/A PHE 532.A N TRP 529.A O no hydrogen 3.244 N/A GLY 533.A N SER 530.A O no hydrogen 3.228 N/A LEU 534.A N TRP 529.A O no hydrogen 3.110 N/A ASN 536.A N GLN 513.A OE1 no hydrogen 2.570 N/A TYR 538.A OH ASN 536.A OD1 no hydrogen 3.136 N/A THR 540.A N LEU 537.A O no hydrogen 2.949 N/A THR 540.A OG1 LEU 537.A O no hydrogen 2.583 N/A ASN 541.A N TYR 538.A O no hydrogen 3.069 N/A VAL 542.A N GLU 550.A OE2 no hydrogen 3.079 N/A HIS 546.A ND1 TYR 494.A OH no hydrogen 2.537 N/A GLU 550.A N HIS 546.A O no hydrogen 2.951 N/A PHE 551.A N GLU 547.A O no hydrogen 2.889 N/A VAL 552.A N PHE 548.A O no hydrogen 2.900 N/A GLY 553.A N THR 549.A O no hydrogen 2.926 N/A ALA 554.A N GLU 550.A O no hydrogen 2.875 N/A THR 555.A N PHE 551.A O no hydrogen 2.828 N/A THR 555.A OG1 PHE 551.A O no hydrogen 2.598 N/A MET 556.A N VAL 552.A O no hydrogen 2.913 N/A PHE 557.A N GLY 553.A O no hydrogen 2.931 N/A GLY 558.A N ALA 554.A O no hydrogen 2.821 N/A THR 559.A N THR 555.A O no hydrogen 2.859 N/A THR 559.A OG1 THR 555.A O no hydrogen 2.752 N/A TYR 560.A N MET 556.A O no hydrogen 2.924 N/A TYR 560.A OH TYR 476.A OH no hydrogen 2.902 N/A TYR 560.A OH LEU 527.A O no hydrogen 2.634 N/A ASN 561.A N PHE 557.A O no hydrogen 2.913 N/A ASN 561.A ND2 PHE 557.A O no hydrogen 2.373 N/A VAL 562.A N GLY 558.A O no hydrogen 2.857 N/A ILE 563.A N THR 559.A O no hydrogen 2.929 N/A SER 564.A N TYR 560.A O no hydrogen 2.902 N/A SER 564.A OG TYR 560.A O no hydrogen 2.823 N/A SER 564.A OG ASN 561.A O no hydrogen 3.449 N/A LEU 565.A N ASN 561.A O no hydrogen 2.935 N/A VAL 566.A N VAL 562.A O no hydrogen 2.860 N/A VAL 567.A N VAL 562.A O no hydrogen 3.252 N/A VAL 567.A N ILE 563.A O no hydrogen 2.954 N/A LEU 568.A N ILE 563.A O no hydrogen 2.838 N/A MET 571.A N VAL 567.A O no hydrogen 3.145 N/A LEU 572.A N LEU 568.A O no hydrogen 2.895 N/A ILE 573.A N LEU 569.A O no hydrogen 2.933 N/A ALA 574.A N ASN 570.A O no hydrogen 2.918 N/A MET 575.A N MET 571.A O no hydrogen 2.914 N/A MET 576.A N LEU 572.A O no hydrogen 2.915 N/A ASN 577.A N ILE 573.A O no hydrogen 2.909 N/A ASN 578.A N ALA 574.A O no hydrogen 2.995 N/A SER 579.A N MET 575.A O no hydrogen 2.911 N/A SER 579.A OG MET 575.A O no hydrogen 3.241 N/A SER 579.A OG MET 576.A O no hydrogen 3.011 N/A TYR 580.A N MET 576.A O no hydrogen 2.870 N/A GLN 581.A N ASN 577.A O no hydrogen 2.963 N/A LEU 582.A N ASN 578.A O no hydrogen 2.917 N/A ILE 583.A N SER 579.A O no hydrogen 2.903 N/A GLU 590.A N HIS 586.A O no hydrogen 3.194 N/A TRP 591.A N ALA 587.A O no hydrogen 2.899 N/A TRP 591.A NE1 THR 450.A O no hydrogen 2.733 N/A LYS 592.A N ASP 588.A O no hydrogen 2.890 N/A PHE 593.A N ILE 589.A O no hydrogen 2.945 N/A ALA 594.A N GLU 590.A O no hydrogen 2.955 N/A ARG 595.A N TRP 591.A O no hydrogen 2.843 N/A ARG 595.A NH2 GLN 265.A OE1 no hydrogen 3.327 N/A THR 596.A N LYS 592.A O no hydrogen 2.862 N/A THR 596.A OG1 LYS 592.A O no hydrogen 2.897 N/A LYS 597.A N PHE 593.A O no hydrogen 2.995 N/A LEU 598.A N ALA 594.A O no hydrogen 2.943 N/A TRP 599.A N ARG 595.A O no hydrogen 2.857 N/A MET 600.A N THR 596.A O no hydrogen 2.889 N/A SER 601.A N LYS 597.A O no hydrogen 2.952 N/A SER 601.A OG LEU 598.A O no hydrogen 2.610 N/A TYR 602.A N TRP 599.A O no hydrogen 3.077 N/A PHE 603.A N MET 600.A O no hydrogen 3.032 N/A THR 608.A OG1 GLU 605.A O no hydrogen 2.500 N/A ASN 614.A ND2 GLY 365.A O no hydrogen 2.957 N/A ILE 615.A N PRO 612.A O no hydrogen 3.398 N/A ASN 621.A N SER 617.A O no hydrogen 2.880 N/A GLN 622.A N LEU 618.A O no hydrogen 2.915 N/A HIS 623.A N ILE 619.A O no hydrogen 2.925 N/A TYR 624.A N GLN 620.A O no hydrogen 2.901 N/A TYR 624.A OH ASP 184.A OD1 no hydrogen 2.360 N/A TYR 624.A OH ASP 184.A OD2 no hydrogen 3.355 N/A GLN 625.A N ASN 621.A O no hydrogen 2.843 N/A GLN 625.A NE2 GLU 183.A O no hydrogen 3.463 N/A GLU 626.A N GLN 622.A O no hydrogen 2.960 N/A VAL 627.A N HIS 623.A O no hydrogen 2.973 N/A ILE 628.A N TYR 624.A O no hydrogen 2.857 N/A ARG 629.A N GLN 625.A O no hydrogen 2.874 N/A ASN 630.A N GLU 626.A O no hydrogen 3.007 N/A LEU 631.A N VAL 627.A O no hydrogen 2.901 N/A VAL 632.A N ILE 628.A O no hydrogen 2.849 N/A LYS 633.A N ARG 629.A O no hydrogen 2.985 N/A ARG 634.A N ASN 630.A O no hydrogen 2.973 N/A ARG 634.A NH1 GLN 227.A O no hydrogen 3.121 N/A ARG 634.A NH1 GLU 233.A OE1 no hydrogen 2.936 N/A ARG 634.A NH2 GLU 233.A OE2 no hydrogen 3.216 N/A TYR 635.A N LEU 631.A O no hydrogen 2.850 N/A VAL 636.A N VAL 632.A O no hydrogen 2.906 N/A ALA 637.A N LYS 633.A O no hydrogen 2.991 N/A ALA 638.A N ARG 634.A O no hydrogen 2.882 N/A MET 639.A N TYR 635.A O no hydrogen 2.887 N/A ILE 640.A N VAL 636.A O no hydrogen 2.939 N/A ARG 641.A N ALA 637.A O no hydrogen 2.929 N/A ASN 642.A N ALA 638.A O no hydrogen 2.868 N/A SER 643.A N MET 639.A O no hydrogen 2.901 N/A SER 643.A OG MET 639.A O no hydrogen 3.293 N/A SER 643.A OG ILE 640.A O no hydrogen 2.753 N/A LYS 644.A N ILE 640.A O no hydrogen 2.928 N/A THR 645.A N ARG 641.A O no hydrogen 2.879 N/A THR 645.A OG1 ARG 641.A O no hydrogen 2.696 N/A THR 645.A OG1 ASN 642.A O no hydrogen 3.282 N/A ASN 649.A N THR 646.A O no hydrogen 3.290 N/A ASN 649.A N THR 646.A OG1 no hydrogen 3.340 N/A LYS 651.A N GLU 647.A O no hydrogen 2.925 N/A LYS 651.A NZ ASN 64.A OD1 no hydrogen 3.295 N/A GLU 652.A N GLU 648.A O no hydrogen 2.870 N/A LEU 653.A N ASN 649.A O no hydrogen 2.924 N/A LYS 654.A N PHE 650.A O no hydrogen 2.900 N/A GLN 655.A N LYS 651.A O no hydrogen 2.882 N/A GLN 655.A NE2 GLU 25.A O no hydrogen 2.689 N/A ASP 656.A N GLU 652.A O no hydrogen 2.892 N/A ILE 657.A N LEU 653.A O no hydrogen 2.959 N/A SER 658.A N LYS 654.A O no hydrogen 2.879 N/A SER 658.A OG LYS 26.A O no hydrogen 2.850 N/A SER 658.A OG LYS 654.A O no hydrogen 2.923 N/A SER 658.A OG GLN 655.A O no hydrogen 2.836 N/A SER 659.A N GLN 655.A O no hydrogen 2.900 N/A SER 659.A OG GLY 27.A O no hydrogen 3.444 N/A SER 659.A OG GLN 655.A O no hydrogen 2.882 N/A PHE 660.A N ASP 656.A O no hydrogen 2.951 N/A ARG 661.A N ILE 657.A O no hydrogen 2.868 N/A TYR 662.A N SER 658.A O no hydrogen 2.889 N/A GLU 663.A N SER 659.A O no hydrogen 2.955 N/A VAL 664.A N PHE 660.A O no hydrogen 2.934 N/A LEU 665.A N ARG 661.A O no hydrogen 2.892 N/A ASP 666.A N TYR 662.A O no hydrogen 2.909 N/A LEU 667.A N GLU 663.A O no hydrogen 2.932 N/A LEU 668.A N VAL 664.A O no hydrogen 2.909 N/A