Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bq1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N SER 1.A OG no hydrogen 2.479 N/A THR 5.A N SER 1.A O no hydrogen 3.170 N/A THR 5.A N ARG 2.A O no hydrogen 2.849 N/A THR 5.A OG1 ARG 2.A O no hydrogen 2.301 N/A GLU 6.A N ARG 2.A O no hydrogen 2.930 N/A ILE 7.A N LEU 3.A O no hydrogen 2.920 N/A GLU 8.A N GLU 4.A O no hydrogen 2.894 N/A ARG 9.A N THR 5.A O no hydrogen 2.908 N/A CYS 10.A N GLU 6.A O no hydrogen 2.929 N/A CYS 10.A SG GLU 6.A O no hydrogen 3.426 N/A ARG 11.A N ILE 7.A O no hydrogen 2.889 N/A SER 12.A N GLU 8.A O no hydrogen 2.884 N/A SER 12.A OG GLU 8.A O no hydrogen 2.817 N/A CYS 14.A N ARG 11.A O no hydrogen 3.294 N/A CYS 14.A SG ARG 11.A O no hydrogen 3.933 N/A CYS 14.A SG TYR 166.A OH no hydrogen 3.105 N/A GLN 15.A N CYS 10.A O no hydrogen 3.177 N/A LEU 22.A N ARG 18.A O no hydrogen 2.813 N/A VAL 23.A N ILE 19.A O no hydrogen 2.901 N/A LYS 24.A N PRO 20.A O no hydrogen 2.891 N/A GLN 25.A N GLU 21.A O no hydrogen 2.908 N/A LEU 26.A N LEU 22.A O no hydrogen 2.458 N/A LEU 37.A N MET 33.A O no hydrogen 2.913 N/A LEU 38.A N ALA 34.A O no hydrogen 2.889 N/A GLY 39.A N GLU 35.A O no hydrogen 2.898 N/A GLU 40.A N LEU 36.A O no hydrogen 2.901 N/A SER 41.A N LEU 37.A O no hydrogen 2.900 N/A SER 41.A OG LEU 37.A O no hydrogen 2.420 N/A LYS 42.A N LEU 38.A O no hydrogen 2.893 N/A LYS 42.A N GLY 39.A O no hydrogen 3.207 N/A LEU 43.A N GLY 39.A O no hydrogen 2.921 N/A GLU 44.A N GLU 40.A O no hydrogen 2.903 N/A GLN 45.A N SER 41.A O no hydrogen 2.882 N/A TYR 46.A N LYS 42.A O no hydrogen 2.889 N/A LEU 47.A N LEU 43.A O no hydrogen 2.886 N/A LYS 48.A N GLU 44.A O no hydrogen 2.885 N/A LYS 48.A NZ GLU 17.A OE2 no hydrogen 2.776 N/A GLU 49.A N GLN 45.A O no hydrogen 2.902 N/A GLU 49.A N TYR 46.A O no hydrogen 3.144 N/A HIS 50.A N TYR 46.A O no hydrogen 2.426 N/A ARG 59.A N VAL 99.A O no hydrogen 2.738 N/A THR 66.A N LYS 62.A O no hydrogen 2.719 N/A THR 66.A OG1 LYS 62.A O no hydrogen 2.799 N/A GLU 67.A N PRO 63.A O no hydrogen 2.874 N/A VAL 68.A N GLN 64.A O no hydrogen 2.918 N/A ARG 69.A N LEU 65.A O no hydrogen 2.873 N/A ARG 69.A NH2 GLU 100.A OE2 no hydrogen 2.781 N/A LYS 70.A N THR 66.A O no hydrogen 2.906 N/A HIS 71.A N GLU 67.A O no hydrogen 2.881 N/A LEU 72.A N VAL 68.A O no hydrogen 2.883 N/A THR 73.A N ARG 69.A O no hydrogen 2.896 N/A THR 73.A OG1 ARG 69.A O no hydrogen 2.406 N/A THR 73.A OG1 LYS 70.A O no hydrogen 3.511 N/A ALA 74.A N LYS 70.A O no hydrogen 2.884 N/A ALA 75.A N HIS 71.A O no hydrogen 2.905 N/A LEU 76.A N LEU 72.A O no hydrogen 2.884 N/A ARG 78.A N ALA 74.A O no hydrogen 2.899 N/A ARG 78.A NE ALA 74.A O no hydrogen 2.504 N/A GLY 79.A N ALA 75.A O no hydrogen 3.231 N/A ASN 80.A N ASP 32.A OD2 no hydrogen 2.492 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.596 N/A LEU 86.A N LYS 82.A O no hydrogen 3.406 N/A GLN 87.A N SER 83.A O no hydrogen 2.888 N/A GLU 88.A N GLU 84.A O no hydrogen 2.896 N/A SER 89.A N PHE 85.A O no hydrogen 2.900 N/A SER 89.A OG PHE 85.A O no hydrogen 2.790 N/A ASN 90.A N LEU 86.A O no hydrogen 2.891 N/A LEU 91.A N GLN 87.A O no hydrogen 2.880 N/A ILE 92.A N GLU 88.A O no hydrogen 2.913 N/A MET 93.A N SER 89.A O no hydrogen 2.893 N/A ALA 94.A N ASN 90.A O no hydrogen 2.879 N/A LYS 95.A N LEU 91.A O no hydrogen 2.869 N/A LYS 95.A NZ GLU 133.A OE1 no hydrogen 2.980 N/A LEU 96.A N ILE 92.A O no hydrogen 2.893 N/A ASN 97.A N MET 93.A O no hydrogen 2.896 N/A TYR 98.A N ALA 94.A O no hydrogen 2.884 N/A VAL 99.A N LYS 95.A O no hydrogen 2.902 N/A GLU 100.A N LEU 96.A O no hydrogen 2.882 N/A GLY 101.A N ASN 97.A O no hydrogen 3.076 N/A ASP 102.A N ASN 97.A O no hydrogen 2.543 N/A LEU 107.A N TYR 103.A O no hydrogen 3.454 N/A ASN 108.A N LYS 104.A O no hydrogen 2.884 N/A ASN 108.A ND2 GLU 105.A OE1 no hydrogen 3.411 N/A ILE 109.A N GLU 105.A O no hydrogen 2.901 N/A TYR 110.A N ALA 106.A O no hydrogen 2.889 N/A ALA 111.A N LEU 107.A O no hydrogen 3.056 N/A ARG 112.A N ILE 109.A O no hydrogen 2.993 N/A VAL 113.A N ILE 109.A O no hydrogen 2.929 N/A LEU 118.A N LEU 115.A O no hydrogen 3.051 N/A LEU 128.A N PRO 124.A O no hydrogen 3.299 N/A ARG 129.A N PRO 125.A O no hydrogen 2.877 N/A ARG 129.A NH1 GLU 44.A OE2 no hydrogen 2.649 N/A VAL 130.A N TYR 126.A O no hydrogen 2.904 N/A ILE 131.A N ARG 127.A O no hydrogen 2.897 N/A ALA 132.A N LEU 128.A O no hydrogen 2.857 N/A GLU 133.A N ARG 129.A O no hydrogen 2.932 N/A ALA 134.A N VAL 130.A O no hydrogen 2.890 N/A TYR 135.A N ILE 131.A O no hydrogen 2.846 N/A ALA 136.A N ALA 132.A O no hydrogen 2.958 N/A THR 137.A N GLU 133.A O no hydrogen 2.887 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.553 N/A LYS 138.A N ALA 134.A O no hydrogen 2.872 N/A LYS 138.A NZ TYR 110.A O no hydrogen 3.275 N/A GLY 139.A N TYR 135.A O no hydrogen 2.918 N/A LEU 140.A N ALA 136.A O no hydrogen 2.907 N/A CYS 141.A N THR 137.A O no hydrogen 2.880 N/A CYS 141.A SG THR 137.A O no hydrogen 3.220 N/A LEU 142.A N LYS 138.A O no hydrogen 2.903 N/A GLU 143.A N LEU 140.A O no hydrogen 3.076 N/A LYS 144.A N LEU 140.A O no hydrogen 2.842 N/A ARG 148.A NH2 LEU 142.A O no hydrogen 2.725 N/A ARG 148.A NH2 GLU 143.A O no hydrogen 3.400 N/A GLN 150.A N ASP 147.A OD2 no hydrogen 2.307 N/A ASP 151.A N ASP 147.A O no hydrogen 3.294 N/A VAL 152.A N ARG 148.A O no hydrogen 2.891 N/A ILE 153.A N GLU 149.A O no hydrogen 2.901 N/A THR 154.A N GLN 150.A O no hydrogen 2.865 N/A THR 154.A OG1 GLN 150.A O no hydrogen 2.893 N/A CYS 155.A N ASP 151.A O no hydrogen 2.906 N/A TYR 156.A N VAL 152.A O no hydrogen 2.920 N/A GLU 157.A N ILE 153.A O no hydrogen 2.906 N/A LYS 158.A N THR 154.A O no hydrogen 2.901 N/A LYS 158.A NZ ASP 116.A OD2 no hydrogen 2.843 N/A ALA 159.A N CYS 155.A O no hydrogen 2.893 N/A GLY 160.A N TYR 156.A O no hydrogen 2.891 N/A ASP 161.A N GLU 157.A O no hydrogen 2.904 N/A ILE 162.A N LYS 158.A O no hydrogen 2.897 N/A ALA 163.A N ALA 159.A O no hydrogen 2.878 N/A LEU 164.A N GLY 160.A O no hydrogen 2.872 N/A LEU 165.A N ASP 161.A O no hydrogen 2.892 N/A TYR 166.A N ILE 162.A O no hydrogen 2.891 N/A LEU 167.A N ALA 163.A O no hydrogen 2.911 N/A GLN 168.A N LEU 164.A O no hydrogen 2.901 N/A GLN 168.A NE2 VAL 213.A O no hydrogen 3.380 N/A GLN 168.A NE2 ARG 267.A O no hydrogen 3.679 N/A GLU 169.A N LEU 165.A O no hydrogen 2.856 N/A ILE 170.A N TYR 166.A O no hydrogen 2.853 N/A GLU 171.A N LEU 167.A O no hydrogen 2.917 N/A ARG 172.A N GLN 168.A O no hydrogen 2.861 N/A ARG 172.A NE GLU 169.A OE1 no hydrogen 3.521 N/A ARG 172.A NH2 GLU 169.A OE1 no hydrogen 3.183 N/A VAL 173.A N GLU 169.A O no hydrogen 2.899 N/A ILE 174.A N ILE 170.A O no hydrogen 2.880 N/A LEU 175.A N GLU 171.A O no hydrogen 3.230 N/A SER 176.A N VAL 173.A O no hydrogen 2.897 N/A SER 176.A OG ARG 172.A O no hydrogen 2.496 N/A GLU 183.A N GLY 179.A O no hydrogen 3.483 N/A THR 184.A N PHE 180.A O no hydrogen 2.890 N/A THR 184.A OG1 PHE 180.A O no hydrogen 3.029 N/A GLY 185.A N PHE 181.A O no hydrogen 2.877 N/A LEU 186.A N LEU 182.A O no hydrogen 2.911 N/A GLN 187.A N GLU 183.A O no hydrogen 2.916 N/A ARG 188.A N THR 184.A O no hydrogen 2.882 N/A ARG 188.A NE GLU 143.A OE1 no hydrogen 3.127 N/A VAL 191.A N GLN 187.A O no hydrogen 2.978 N/A LEU 192.A N ARG 188.A O no hydrogen 2.901 N/A TYR 193.A N ALA 189.A O no hydrogen 2.898 N/A TYR 193.A OH GLU 157.A OE2 no hydrogen 2.783 N/A PHE 194.A N HIS 190.A O no hydrogen 2.915 N/A LYS 195.A N VAL 191.A O no hydrogen 2.914 N/A ASN 196.A N LEU 192.A O no hydrogen 2.857 N/A ASN 196.A N TYR 193.A O no hydrogen 3.146 N/A ASN 198.A N TYR 193.A O no hydrogen 2.697 N/A LEU 199.A N GLY 197.A O no hydrogen 2.858 N/A THR 200.A OG1 ASN 198.A OD1 no hydrogen 3.305 N/A ARG 201.A N ASN 198.A OD1 no hydrogen 3.157 N/A ARG 201.A NE GLU 157.A OE2 no hydrogen 2.721 N/A GLY 202.A N ASN 198.A O no hydrogen 2.937 N/A VAL 203.A N LEU 199.A O no hydrogen 2.928 N/A GLY 204.A N THR 200.A O no hydrogen 2.891 N/A ARG 205.A N ARG 201.A O no hydrogen 2.855 N/A ARG 205.A NH2 GLU 157.A O no hydrogen 3.463 N/A PHE 206.A N GLY 202.A O no hydrogen 2.905 N/A ARG 207.A N VAL 203.A O no hydrogen 2.909 N/A ARG 207.A NH1 TRP 243.A O no hydrogen 2.532 N/A ARG 207.A NH2 TRP 243.A O no hydrogen 2.834 N/A GLU 208.A N GLY 204.A O no hydrogen 2.864 N/A LEU 209.A N ARG 205.A O no hydrogen 2.884 N/A LEU 210.A N PHE 206.A O no hydrogen 2.896 N/A ARG 211.A N ARG 207.A O no hydrogen 2.851 N/A VAL 213.A N ARG 267.A O no hydrogen 2.991 N/A GLU 214.A N TYR 269.A OH no hydrogen 3.345 N/A THR 215.A N THR 218.A OG1 no hydrogen 3.079 N/A THR 218.A N THR 215.A O no hydrogen 2.913 N/A THR 218.A OG1 THR 215.A O no hydrogen 2.693 N/A ARG 222.A N THR 218.A O no hydrogen 2.430 N/A MET 223.A N GLN 219.A O no hydrogen 2.885 N/A THR 224.A N ASN 220.A O no hydrogen 2.937 N/A THR 224.A OG1 ASN 220.A O no hydrogen 3.054 N/A THR 224.A OG1 LEU 221.A O no hydrogen 2.818 N/A ILE 225.A N LEU 221.A O no hydrogen 2.877 N/A ALA 226.A N ARG 222.A O no hydrogen 2.870 N/A ARG 227.A N MET 223.A O no hydrogen 2.887 N/A GLN 228.A N THR 224.A O no hydrogen 2.922 N/A LEU 229.A N ILE 225.A O no hydrogen 2.867 N/A ALA 230.A N ALA 226.A O no hydrogen 2.889 N/A GLU 231.A N ARG 227.A O no hydrogen 2.892 N/A ILE 232.A N GLN 228.A O no hydrogen 2.938 N/A LEU 233.A N LEU 229.A O no hydrogen 2.851 N/A LEU 234.A N ALA 230.A O no hydrogen 2.962 N/A LEU 234.A N GLU 231.A O no hydrogen 2.952 N/A ARG 235.A N GLU 231.A O no hydrogen 2.883 N/A GLY 236.A N ILE 232.A O no hydrogen 3.234 N/A CYS 238.A SG SER 241.A OG no hydrogen 3.451 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.651 N/A TYR 242.A N GLU 239.A O no hydrogen 3.357 N/A TYR 242.A OH PRO 277.A O no hydrogen 2.402 N/A TYR 242.A OH GLU 283.A OE1 no hydrogen 3.006 N/A ASN 244.A N GLU 247.A OE1 no hydrogen 3.474 N/A ASN 244.A ND2 GLU 247.A OE2 no hydrogen 2.885 N/A ASN 244.A ND2 GLN 278.A OE1 no hydrogen 2.670 N/A GLU 247.A N ASN 244.A O no hydrogen 2.920 N/A THR 257.A N ASN 256.A OD1 no hydrogen 2.503 N/A TYR 260.A OH ILE 153.A O no hydrogen 3.294 N/A THR 261.A OG1 TYR 260.A O no hydrogen 2.795 N/A ARG 264.A NH1 LEU 120.A O no hydrogen 2.583 N/A ARG 267.A N GLN 168.A OE1 no hydrogen 2.738 N/A TYR 269.A N ARG 211.A O no hydrogen 3.054 N/A SER 270.A OG TYR 269.A O no hydrogen 2.540 N/A GLN 278.A N GLU 282.A OE1 no hydrogen 3.182 N/A GLN 278.A NE2 CYS 276.A O no hydrogen 3.307 N/A THR 281.A N GLU 279.A OE1 no hydrogen 2.559 N/A THR 281.A OG1 GLU 279.A OE1 no hydrogen 3.087 N/A THR 281.A OG1 ASN 280.A OD1 no hydrogen 3.188 N/A GLU 282.A N GLU 279.A OE2 no hydrogen 2.899 N/A GLU 283.A N GLU 279.A O no hydrogen 3.374 N/A ALA 284.A N ASN 280.A O no hydrogen 2.889 N/A LEU 285.A N THR 281.A O no hydrogen 2.896 N/A LEU 286.A N GLU 282.A O no hydrogen 2.915 N/A LEU 287.A N GLU 283.A O no hydrogen 2.905 N/A LEU 288.A N ALA 284.A O no hydrogen 2.892 N/A LEU 289.A N LEU 285.A O no hydrogen 2.889 N/A ILE 290.A N LEU 286.A O no hydrogen 2.965 N/A SER 291.A N LEU 287.A O no hydrogen 2.871 N/A SER 291.A OG LEU 287.A O no hydrogen 2.692 N/A GLU 292.A N LEU 289.A O no hydrogen 3.001 N/A SER 293.A N LEU 289.A O no hydrogen 2.980 N/A SER 293.A OG ILE 290.A O no hydrogen 2.636 N/A MET 294.A N ILE 290.A O no hydrogen 2.896 N/A ALA 295.A N SER 291.A O no hydrogen 2.860 N/A ASN 296.A N GLU 292.A O no hydrogen 3.079 N/A ASN 296.A N SER 293.A O no hydrogen 3.007 N/A ARG 297.A N SER 293.A O no hydrogen 3.067 N/A ARG 297.A NH2 SER 293.A O no hydrogen 3.073 N/A ASP 298.A N MET 294.A O no hydrogen 2.857 N/A SER 302.A OG LEU 301.A O no hydrogen 2.648 N/A ARG 311.A N LYS 308.A O no hydrogen 2.988 N/A LEU 312.A N LYS 308.A O no hydrogen 3.110 N/A SER 314.A OG ASP 298.A O no hydrogen 3.213 N/A LEU 315.A N ARG 311.A O no hydrogen 3.046 N/A GLN 316.A N LEU 312.A O no hydrogen 2.872 N/A SER 317.A N ILE 313.A O no hydrogen 2.940 N/A SER 317.A OG ILE 313.A O no hydrogen 3.072 N/A SER 317.A OG SER 314.A O no hydrogen 3.214 N/A SER 319.A N LEU 315.A O no hydrogen 2.897 N/A SER 319.A OG ASP 323.A OD2 no hydrogen 3.394 N/A VAL 320.A N GLN 316.A O no hydrogen 2.945 N/A VAL 321.A N SER 317.A O no hydrogen 2.971 N/A TYR 322.A N ALA 318.A O no hydrogen 2.863 N/A ASP 323.A N SER 319.A O no hydrogen 2.927 N/A LEU 324.A N VAL 320.A O no hydrogen 2.993 N/A LEU 325.A N VAL 321.A O no hydrogen 2.890 N/A THR 326.A N TYR 322.A O no hydrogen 2.829 N/A THR 326.A OG1 TYR 322.A O no hydrogen 2.872 N/A ILE 327.A N ASP 323.A O no hydrogen 3.010 N/A ALA 328.A N LEU 324.A O no hydrogen 2.874 N/A LEU 329.A N LEU 325.A O no hydrogen 2.903 N/A GLY 330.A N ILE 327.A O no hydrogen 3.216 N/A ARG 331.A N ILE 327.A O no hydrogen 2.916 N/A ARG 331.A NH2 LEU 234.A O no hydrogen 3.269 N/A ARG 332.A NH2 GLU 239.A OE2 no hydrogen 2.705 N/A ARG 332.A NH2 GLU 279.A OE1 no hydrogen 3.217 N/A GLY 333.A N GLY 330.A O no hydrogen 2.966 N/A GLN 334.A N LEU 329.A O no hydrogen 2.897 N/A LEU 338.A N GLN 334.A O no hydrogen 3.306 N/A SER 339.A N TYR 335.A O no hydrogen 2.866 N/A SER 339.A OG TYR 335.A O no hydrogen 3.039 N/A GLU 340.A N GLU 336.A O no hydrogen 2.937 N/A CYS 341.A N MET 337.A O no hydrogen 2.881 N/A CYS 341.A SG MET 337.A O no hydrogen 3.148 N/A LEU 342.A N LEU 338.A O no hydrogen 2.912 N/A GLU 343.A N SER 339.A O no hydrogen 2.861 N/A ARG 344.A N GLU 340.A O no hydrogen 2.926 N/A ALA 345.A N CYS 341.A O no hydrogen 2.877 N/A PHE 348.A N ALA 345.A O no hydrogen 3.437 N/A TYR 357.A N PHE 353.A O no hydrogen 2.929 N/A GLN 358.A N HIS 354.A O no hydrogen 2.916 N/A PHE 359.A N LEU 355.A O no hydrogen 2.888 N/A ALA 360.A N TRP 356.A O no hydrogen 2.858 N/A LEU 361.A N TYR 357.A O no hydrogen 2.915 N/A SER 362.A N GLN 358.A O no hydrogen 2.866 N/A SER 362.A OG GLN 358.A O no hydrogen 3.162 N/A SER 362.A OG PHE 359.A O no hydrogen 2.242 N/A LEU 363.A N PHE 359.A O no hydrogen 2.906 N/A MET 364.A N ALA 360.A O no hydrogen 2.886 N/A ALA 365.A N LEU 361.A O no hydrogen 2.889 N/A GLY 367.A N MET 364.A O no hydrogen 3.310 N/A SER 369.A OG GLY 367.A O no hydrogen 3.205 N/A VAL 373.A N SER 369.A O no hydrogen 3.036 N/A LYS 374.A N ALA 370.A O no hydrogen 3.004 N/A VAL 375.A N ARG 371.A O no hydrogen 2.860 N/A LEU 376.A N ALA 372.A O no hydrogen 2.884 N/A LYS 377.A N VAL 373.A O no hydrogen 2.912 N/A GLU 378.A N LYS 374.A O no hydrogen 2.980 N/A CYS 379.A N VAL 375.A O no hydrogen 2.841 N/A CYS 379.A SG VAL 375.A O no hydrogen 3.157 N/A ILE 380.A N LEU 376.A O no hydrogen 2.878 N/A ARG 381.A N LYS 377.A O no hydrogen 2.946 N/A LEU 382.A N GLU 378.A O no hydrogen 2.883 N/A LYS 383.A N CYS 379.A O no hydrogen 2.937 N/A THR 388.A N ASP 386.A OD1 no hydrogen 2.628 N/A THR 388.A OG1 ASP 386.A OD1 no hydrogen 3.134 N/A LEU 391.A N ALA 387.A O no hydrogen 2.888 N/A LEU 392.A N THR 388.A O no hydrogen 2.858 N/A ALA 393.A N ILE 389.A O no hydrogen 2.911 N/A ALA 394.A N PRO 390.A O no hydrogen 2.878 N/A LYS 395.A N LEU 391.A O no hydrogen 2.890 N/A LEU 396.A N LEU 392.A O no hydrogen 2.882 N/A CYS 397.A N ALA 393.A O no hydrogen 2.886 N/A CYS 397.A SG ALA 393.A O no hydrogen 3.096 N/A MET 398.A N ALA 394.A O no hydrogen 3.157 N/A TRP 403.A N CYS 397.A O no hydrogen 2.447 N/A ALA 407.A N TRP 403.A O no hydrogen 2.873 N/A GLU 408.A N LEU 404.A O no hydrogen 2.885 N/A LYS 409.A N GLU 405.A O no hydrogen 2.988 N/A LYS 409.A NZ GLU 405.A OE2 no hydrogen 3.197 N/A PHE 410.A N GLU 406.A O no hydrogen 2.867 N/A ALA 411.A N ALA 407.A O no hydrogen 2.918 N/A LYS 412.A N GLU 408.A O no hydrogen 2.879 N/A THR 413.A N LYS 409.A O no hydrogen 2.920 N/A THR 413.A OG1 LYS 409.A O no hydrogen 3.500 N/A THR 413.A OG1 PHE 410.A O no hydrogen 2.399 N/A VAL 414.A N PHE 410.A O no hydrogen 2.894 N/A VAL 414.A N ALA 411.A O no hydrogen 2.958 N/A VAL 415.A N ALA 411.A O no hydrogen 2.892 N/A ASP 416.A N LYS 412.A O no hydrogen 2.849 N/A VAL 417.A N VAL 414.A O no hydrogen 3.005 N/A LYS 422.A N THR 418.A O no hydrogen 3.452 N/A ALA 423.A N SER 419.A O no hydrogen 2.862 N/A GLY 425.A N PHE 421.A O no hydrogen 2.887 N/A TYR 426.A N LYS 422.A O no hydrogen 2.904 N/A LEU 427.A N ALA 423.A O no hydrogen 2.893 N/A ALA 428.A N LYS 424.A O no hydrogen 2.845 N/A LEU 429.A N GLY 425.A O no hydrogen 2.883 N/A GLY 430.A N TYR 426.A O no hydrogen 2.827 N/A LEU 431.A N LEU 427.A O no hydrogen 2.846 N/A THR 432.A N ALA 428.A O no hydrogen 2.890 N/A THR 432.A OG1 ALA 428.A O no hydrogen 2.383 N/A TYR 433.A N LEU 429.A O no hydrogen 2.917 N/A SER 434.A N GLY 430.A O no hydrogen 2.846 N/A SER 434.A OG GLN 477.A OE1 no hydrogen 2.777 N/A LEU 435.A N LEU 431.A O no hydrogen 2.884 N/A GLN 436.A N THR 432.A O no hydrogen 2.916 N/A GLN 436.A NE2 LEU 404.A O no hydrogen 3.125 N/A GLN 436.A NE2 GLU 408.A OE1 no hydrogen 3.203 N/A ALA 437.A N TYR 433.A O no hydrogen 2.833 N/A THR 438.A N SER 434.A O no hydrogen 2.928 N/A THR 438.A OG1 SER 434.A O no hydrogen 3.403 N/A ASP 439.A N LEU 435.A O no hydrogen 3.319 N/A GLN 446.A N LEU 442.A O no hydrogen 3.311 N/A GLN 446.A NE2 ALA 440.A O no hydrogen 2.333 N/A GLN 446.A NE2 VAL 678.A O no hydrogen 3.267 N/A GLU 447.A N ARG 443.A O no hydrogen 2.896 N/A VAL 448.A N GLY 444.A O no hydrogen 2.876 N/A LEU 449.A N MET 445.A O no hydrogen 2.909 N/A GLN 450.A N GLN 446.A O no hydrogen 2.860 N/A ARG 451.A N GLU 447.A O no hydrogen 2.907 N/A ARG 451.A NE GLU 447.A O no hydrogen 3.325 N/A LYS 452.A N VAL 448.A O no hydrogen 2.867 N/A ALA 453.A N LEU 449.A O no hydrogen 2.895 N/A LEU 454.A N GLN 450.A O no hydrogen 2.859 N/A LEU 455.A N ARG 451.A O no hydrogen 2.865 N/A ALA 456.A N LYS 452.A O no hydrogen 2.854 N/A PHE 457.A N ALA 453.A O no hydrogen 2.840 N/A GLN 458.A N LEU 454.A O no hydrogen 2.941 N/A ARG 459.A N LEU 455.A O no hydrogen 2.884 N/A ALA 460.A N ALA 456.A O no hydrogen 2.878 N/A HIS 461.A N PHE 457.A O no hydrogen 2.866 N/A SER 462.A N GLN 458.A O no hydrogen 2.879 N/A SER 462.A OG GLN 458.A O no hydrogen 3.405 N/A SER 462.A OG ARG 459.A O no hydrogen 2.502 N/A LEU 463.A N ARG 459.A O no hydrogen 2.874 N/A GLN 469.A N ASP 467.A OD1 no hydrogen 2.814 N/A GLN 469.A NE2 LEU 728.A OXT no hydrogen 3.187 N/A ALA 471.A N ASP 467.A O no hydrogen 3.249 N/A PHE 472.A N HIS 468.A O no hydrogen 2.887 N/A TYR 473.A N GLN 469.A O no hydrogen 2.910 N/A TYR 473.A OH PRO 725.A O no hydrogen 3.413 N/A LEU 474.A N ALA 470.A O no hydrogen 2.917 N/A ALA 475.A N ALA 471.A O no hydrogen 2.872 N/A LEU 476.A N PHE 472.A O no hydrogen 2.851 N/A GLN 477.A N TYR 473.A O no hydrogen 2.903 N/A LEU 478.A N LEU 474.A O no hydrogen 2.894 N/A ALA 479.A N ALA 475.A O no hydrogen 2.889 N/A ILE 480.A N LEU 476.A O no hydrogen 2.912 N/A SER 481.A N GLN 477.A O no hydrogen 2.939 N/A SER 481.A OG GLN 477.A O no hydrogen 2.807 N/A ARG 482.A N ALA 479.A O no hydrogen 2.962 N/A ARG 482.A NH1 SER 715.A OG no hydrogen 2.855 N/A ARG 482.A NH2 THR 681.A O no hydrogen 2.562 N/A GLN 483.A N LEU 478.A O no hydrogen 3.233 N/A GLU 486.A N GLU 486.A OE1 no hydrogen 2.600 N/A ALA 487.A N GLN 483.A O no hydrogen 3.403 N/A LEU 488.A N ILE 484.A O no hydrogen 2.853 N/A GLY 489.A N PRO 485.A O no hydrogen 2.872 N/A TYR 490.A N GLU 486.A O no hydrogen 2.972 N/A VAL 491.A N ALA 487.A O no hydrogen 2.846 N/A ARG 492.A N LEU 488.A O no hydrogen 2.842 N/A GLN 493.A N GLY 489.A O no hydrogen 2.915 N/A ALA 494.A N TYR 490.A O no hydrogen 2.881 N/A LEU 495.A N VAL 491.A O no hydrogen 2.877 N/A GLN 496.A N ARG 492.A O no hydrogen 2.857 N/A LEU 497.A N GLN 493.A O no hydrogen 2.898 N/A GLN 498.A N ALA 494.A O no hydrogen 2.821 N/A ASN 503.A N ASP 501.A OD1 no hydrogen 3.239 N/A SER 504.A OG ASP 501.A OD2 no hydrogen 2.905 N/A HIS 506.A N ALA 502.A O no hydrogen 2.862 N/A LEU 507.A N ASN 503.A O no hydrogen 2.845 N/A LEU 508.A N SER 504.A O no hydrogen 2.927 N/A ALA 509.A N LEU 505.A O no hydrogen 2.914 N/A LEU 510.A N HIS 506.A O no hydrogen 2.909 N/A LEU 511.A N LEU 507.A O no hydrogen 2.909 N/A LEU 512.A N LEU 508.A O no hydrogen 2.891 N/A SER 513.A N ALA 509.A O no hydrogen 2.872 N/A SER 513.A OG ALA 509.A O no hydrogen 3.433 N/A SER 513.A OG LEU 510.A O no hydrogen 2.421 N/A ALA 514.A N LEU 511.A O no hydrogen 2.913 N/A GLN 515.A N LEU 511.A O no hydrogen 2.933 N/A HIS 517.A N LEU 512.A O no hydrogen 2.629 N/A ALA 521.A N HIS 517.A O no hydrogen 3.072 N/A LEU 522.A N TYR 518.A O no hydrogen 2.837 N/A ASN 523.A N HIS 519.A O no hydrogen 2.896 N/A ILE 524.A N ASP 520.A O no hydrogen 2.922 N/A ILE 525.A N ALA 521.A O no hydrogen 2.895 N/A ASP 526.A N LEU 522.A O no hydrogen 2.882 N/A MET 527.A N ASN 523.A O no hydrogen 2.876 N/A ALA 528.A N ILE 524.A O no hydrogen 2.877 N/A LEU 529.A N ILE 525.A O no hydrogen 2.872 N/A SER 530.A N ASP 526.A O no hydrogen 2.846 N/A SER 530.A OG ASP 526.A O no hydrogen 3.263 N/A SER 530.A OG MET 527.A O no hydrogen 2.423 N/A GLU 531.A N MET 527.A O no hydrogen 2.939 N/A TYR 532.A N ALA 528.A O no hydrogen 2.913 N/A ILE 537.A N ASN 535.A OD1 no hydrogen 3.252 N/A PHE 540.A N PHE 536.A O no hydrogen 2.924 N/A SER 541.A N ILE 537.A O no hydrogen 2.959 N/A SER 541.A OG HIS 506.A NE2 no hydrogen 2.833 N/A SER 541.A OG ILE 537.A O no hydrogen 3.285 N/A LYS 542.A N LEU 538.A O no hydrogen 2.872 N/A VAL 543.A N LEU 539.A O no hydrogen 2.900 N/A LYS 544.A N PHE 540.A O no hydrogen 2.929 N/A LEU 545.A N SER 541.A O no hydrogen 2.902 N/A GLN 546.A N LYS 542.A O no hydrogen 2.904 N/A SER 547.A N VAL 543.A O no hydrogen 2.899 N/A SER 547.A OG VAL 543.A O no hydrogen 3.084 N/A LEU 548.A N LYS 544.A O no hydrogen 2.887 N/A LEU 548.A N LEU 545.A O no hydrogen 2.932 N/A CYS 549.A N LEU 545.A O no hydrogen 2.918 N/A CYS 549.A SG LEU 545.A O no hydrogen 3.647 N/A ARG 550.A N GLN 546.A O no hydrogen 2.900 N/A GLY 551.A N GLN 546.A O no hydrogen 2.636 N/A GLU 554.A N GLU 554.A OE1 no hydrogen 2.665 N/A LEU 556.A N PRO 552.A O no hydrogen 2.904 N/A LEU 557.A N ASP 553.A O no hydrogen 2.919 N/A THR 558.A N GLU 554.A O no hydrogen 2.859 N/A THR 558.A OG1 GLN 546.A OE1 no hydrogen 2.489 N/A THR 558.A OG1 GLU 554.A O no hydrogen 3.087 N/A CYS 559.A N ALA 555.A O no hydrogen 2.879 N/A CYS 559.A SG ALA 555.A O no hydrogen 3.182 N/A LYS 560.A N LEU 556.A O no hydrogen 2.915 N/A HIS 561.A N LEU 557.A O no hydrogen 2.880 N/A MET 562.A N THR 558.A O no hydrogen 2.869 N/A LEU 563.A N CYS 559.A O no hydrogen 2.902 N/A GLN 564.A N LYS 560.A O no hydrogen 2.887 N/A ILE 565.A N HIS 561.A O no hydrogen 2.945 N/A TRP 566.A N MET 562.A O no hydrogen 2.873 N/A LYS 567.A N LEU 563.A O no hydrogen 2.910 N/A SER 568.A N GLN 564.A O no hydrogen 2.877 N/A CYS 569.A N ILE 565.A O no hydrogen 2.876 N/A CYS 569.A SG ILE 565.A O no hydrogen 3.487 N/A TYR 570.A N TRP 566.A O no hydrogen 3.023 N/A TRP 577.A N LEU 574.A O no hydrogen 2.816 N/A THR 579.A N HIS 575.A O no hydrogen 2.832 N/A THR 579.A OG1 HIS 575.A O no hydrogen 2.988 N/A LEU 580.A N PRO 576.A O no hydrogen 2.929 N/A ALA 581.A N TRP 577.A O no hydrogen 2.972 N/A GLN 582.A N MET 578.A O no hydrogen 2.863 N/A ILE 583.A N THR 579.A O no hydrogen 2.962 N/A TRP 584.A N LEU 580.A O no hydrogen 2.900 N/A LEU 585.A N ALA 581.A O no hydrogen 2.914 N/A HIS 586.A N GLN 582.A O no hydrogen 2.882 N/A ALA 587.A N ILE 583.A O no hydrogen 2.944 N/A ALA 588.A N TRP 584.A O no hydrogen 2.877 N/A GLU 589.A N LEU 585.A O no hydrogen 2.878 N/A VAL 590.A N HIS 586.A O no hydrogen 2.971 N/A TYR 591.A N ALA 587.A O no hydrogen 2.947 N/A ILE 592.A N ALA 588.A O no hydrogen 2.905 N/A GLY 593.A N GLU 589.A O no hydrogen 2.855 N/A ILE 594.A N VAL 590.A O no hydrogen 2.933 N/A GLY 595.A N TYR 591.A O no hydrogen 2.869 N/A LYS 596.A N TYR 591.A O no hydrogen 2.897 N/A GLU 599.A N GLU 599.A OE1 no hydrogen 2.641 N/A THR 601.A N PRO 597.A O no hydrogen 2.872 N/A THR 601.A OG1 PRO 597.A O no hydrogen 2.358 N/A ALA 602.A N ALA 598.A O no hydrogen 2.890 N/A CYS 603.A N GLU 599.A O no hydrogen 2.909 N/A CYS 603.A SG GLU 599.A O no hydrogen 3.227 N/A THR 604.A N ALA 600.A O no hydrogen 2.876 N/A GLN 605.A N THR 601.A O no hydrogen 2.917 N/A GLU 606.A N ALA 602.A O no hydrogen 2.890 N/A ALA 607.A N CYS 603.A O no hydrogen 2.903 N/A ALA 608.A N THR 604.A O no hydrogen 2.886 N/A ASN 609.A N GLN 605.A O no hydrogen 2.893 N/A ASN 609.A ND2 GLU 606.A OE1 no hydrogen 3.433 N/A LEU 610.A N ALA 607.A O no hydrogen 2.887 N/A PHE 611.A N ALA 607.A O no hydrogen 3.241 N/A SER 614.A N PHE 611.A O no hydrogen 3.410 N/A LEU 618.A N SER 614.A O no hydrogen 3.067 N/A TYR 619.A N HIS 615.A O no hydrogen 2.867 N/A MET 620.A N ASN 616.A O no hydrogen 2.896 N/A ARG 621.A N VAL 617.A O no hydrogen 2.853 N/A GLY 622.A N LEU 618.A O no hydrogen 2.872 N/A GLN 623.A N TYR 619.A O no hydrogen 2.872 N/A ILE 624.A N MET 620.A O no hydrogen 2.904 N/A ALA 625.A N ARG 621.A O no hydrogen 2.915 N/A GLU 626.A N GLY 622.A O no hydrogen 2.871 N/A LEU 627.A N GLN 623.A O no hydrogen 2.901 N/A ARG 628.A N ILE 624.A O no hydrogen 2.899 N/A ARG 628.A NH2 PRO 597.A O no hydrogen 3.206 N/A GLY 629.A N GLU 626.A O no hydrogen 3.316 N/A SER 630.A N ALA 625.A O no hydrogen 3.067 N/A ALA 634.A N SER 630.A O no hydrogen 2.970 N/A ARG 635.A N MET 631.A O no hydrogen 2.888 N/A ARG 636.A N ASP 632.A O no hydrogen 2.886 N/A TRP 637.A N GLU 633.A O no hydrogen 2.879 N/A TYR 638.A N ALA 634.A O no hydrogen 2.874 N/A GLU 639.A N ARG 635.A O no hydrogen 2.908 N/A GLU 640.A N ARG 636.A O no hydrogen 2.804 N/A ALA 641.A N TRP 637.A O no hydrogen 2.938 N/A SER 645.A N ALA 641.A O no hydrogen 3.065 N/A THR 647.A OG1 SER 645.A OG no hydrogen 2.910 N/A HIS 648.A N SER 645.A O no hydrogen 3.077 N/A SER 651.A N HIS 648.A ND1 no hydrogen 3.106 N/A SER 651.A OG HIS 648.A ND1 no hydrogen 2.935 N/A GLN 653.A N VAL 649.A O no hydrogen 2.992 N/A ARG 654.A N LYS 650.A O no hydrogen 2.930 N/A ARG 654.A NE GLU 626.A OE1 no hydrogen 3.195 N/A ARG 654.A NE GLU 626.A OE2 no hydrogen 2.723 N/A ARG 654.A NH2 GLU 626.A OE1 no hydrogen 2.858 N/A LEU 655.A N SER 651.A O no hydrogen 2.882 N/A ALA 656.A N MET 652.A O no hydrogen 2.912 N/A LEU 657.A N GLN 653.A O no hydrogen 2.890 N/A ILE 658.A N ARG 654.A O no hydrogen 2.927 N/A LEU 659.A N LEU 655.A O no hydrogen 2.884 N/A HIS 660.A N ALA 656.A O no hydrogen 2.855 N/A HIS 660.A NE2 GLU 691.A O no hydrogen 2.576 N/A GLN 661.A N LEU 657.A O no hydrogen 2.936 N/A LEU 662.A N ILE 658.A O no hydrogen 2.803 N/A ALA 668.A N ARG 664.A O no hydrogen 3.440 N/A GLU 669.A N TYR 665.A O no hydrogen 2.942 N/A LYS 670.A N SER 666.A O no hydrogen 2.926 N/A ILE 671.A N LEU 667.A O no hydrogen 2.860 N/A LEU 672.A N ALA 668.A O no hydrogen 2.925 N/A ARG 673.A N GLU 669.A O no hydrogen 2.916 N/A ASP 674.A N LYS 670.A O no hydrogen 2.860 N/A ALA 675.A N ILE 671.A O no hydrogen 2.878 N/A VAL 676.A N LEU 672.A O no hydrogen 2.921 N/A GLN 677.A N ARG 673.A O no hydrogen 2.912 N/A VAL 678.A N ASP 674.A O no hydrogen 2.888 N/A ASN 679.A N ALA 675.A O no hydrogen 3.170 N/A THR 681.A N ASN 679.A OD1 no hydrogen 2.904 N/A THR 681.A OG1 ASN 679.A OD1 no hydrogen 2.270 N/A TRP 686.A NE1 SER 680.A O no hydrogen 2.815 N/A ASN 687.A N HIS 683.A O no hydrogen 2.905 N/A GLY 688.A N GLU 684.A O no hydrogen 2.930 N/A LEU 689.A N VAL 685.A O no hydrogen 2.894 N/A GLY 690.A N TRP 686.A O no hydrogen 2.856 N/A GLU 691.A N ASN 687.A O no hydrogen 2.900 N/A VAL 692.A N GLY 688.A O no hydrogen 2.902 N/A LEU 693.A N LEU 689.A O no hydrogen 2.867 N/A GLN 694.A N GLY 690.A O no hydrogen 2.881 N/A ALA 695.A N GLU 691.A O no hydrogen 2.895 N/A GLN 696.A N LEU 693.A O no hydrogen 2.920 N/A GLN 696.A NE2 GLU 669.A OE1 no hydrogen 3.520 N/A GLY 697.A N LEU 693.A O no hydrogen 2.666 N/A ALA 702.A N ASN 698.A O no hydrogen 2.985 N/A THR 703.A N ASP 699.A O no hydrogen 2.913 N/A THR 703.A OG1 ASP 699.A O no hydrogen 2.952 N/A THR 703.A OG1 ALA 700.A O no hydrogen 2.886 N/A GLU 704.A N ALA 700.A O no hydrogen 2.930 N/A CYS 705.A N ALA 701.A O no hydrogen 2.853 N/A CYS 705.A SG ALA 701.A O no hydrogen 3.040 N/A PHE 706.A N ALA 702.A O no hydrogen 2.904 N/A LEU 707.A N THR 703.A O no hydrogen 2.910 N/A THR 708.A N GLU 704.A O no hydrogen 2.866 N/A THR 708.A OG1 GLU 704.A O no hydrogen 2.508 N/A ALA 709.A N CYS 705.A O no hydrogen 2.860 N/A LEU 710.A N PHE 706.A O no hydrogen 2.882 N/A GLU 711.A N LEU 707.A O no hydrogen 2.922 N/A LEU 712.A N THR 708.A O no hydrogen 2.910 N/A GLU 713.A N ALA 709.A O no hydrogen 2.858 N/A ALA 714.A N LEU 710.A O no hydrogen 2.889 N/A SER 715.A N GLU 711.A O no hydrogen 2.982 N/A SER 715.A N LEU 712.A O no hydrogen 2.846 N/A SER 715.A OG GLU 711.A O no hydrogen 3.537 N/A SER 715.A OG LEU 712.A O no hydrogen 2.886 N/A SER 716.A OG PRO 717.A O no hydrogen 3.319 N/A ALA 718.A N SER 513.A OG no hydrogen 3.403 N/A ILE 723.A N PRO 720.A O no hydrogen 3.105 N/A ARG 726.A NH2 THR 438.A OG1 no hydrogen 3.285 N/A