Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w38_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N ARG 6.A O no hydrogen 2.950 N/A VAL 11.A N LYS 8.A O no hydrogen 3.305 N/A GLN 12.A N LYS 8.A O no hydrogen 2.925 N/A SER 16.A N GLN 12.A O no hydrogen 2.934 N/A SER 16.A OG GLN 12.A O no hydrogen 3.153 N/A ALA 19.A N GLN 15.A O no hydrogen 2.704 N/A GLY 23.A N ALA 19.A O no hydrogen 2.725 N/A LYS 31.A N LYS 27.A O no hydrogen 2.928 N/A ARG 33.A N SER 29.A O no hydrogen 2.908 N/A ARG 34.A N GLY 30.A O no hydrogen 2.905 N/A ASP 35.A N LYS 31.A O no hydrogen 2.895 N/A ALA 36.A N GLU 32.A O no hydrogen 2.915 N/A GLY 37.A N ARG 33.A O no hydrogen 2.897 N/A ASP 38.A N ARG 34.A O no hydrogen 2.900 N/A LYS 39.A N ASP 35.A O no hydrogen 2.905 N/A ASP 40.A N ALA 36.A O no hydrogen 2.907 N/A LYS 41.A N GLY 37.A O no hydrogen 2.918 N/A GLU 42.A N ASP 38.A O no hydrogen 2.923 N/A GLN 43.A N LYS 39.A O no hydrogen 2.899 N/A GLU 44.A N ASP 40.A O no hydrogen 2.928 N/A LEU 45.A N LYS 41.A O no hydrogen 2.901 N/A SER 46.A N GLU 42.A O no hydrogen 2.883 N/A SER 46.A OG GLU 42.A O no hydrogen 2.841 N/A SER 46.A OG GLU 42.A OE2 no hydrogen 2.288 N/A GLU 47.A N GLN 43.A O no hydrogen 2.929 N/A GLU 48.A N GLU 44.A O no hydrogen 2.901 N/A LYS 50.A NZ GLN 51.A OE1 no hydrogen 2.586 N/A GLN 51.A NE2 GLN 53.A O no hydrogen 3.483 N/A MET 58.A N ASP 54.A O no hydrogen 2.996 N/A LEU 59.A N GLU 55.A O no hydrogen 2.869 N/A VAL 60.A N LEU 56.A O no hydrogen 2.893 N/A GLU 61.A N GLU 57.A O no hydrogen 2.903 N/A ARG 62.A NH1 LEU 59.A O no hydrogen 2.688 N/A LEU 63.A N VAL 60.A O no hydrogen 3.134 N/A GLY 64.A N VAL 60.A O no hydrogen 2.842 N/A LYS 66.A NZ GLU 61.A O no hydrogen 3.546 N/A LYS 66.A NZ ARG 62.A O no hydrogen 2.369 N/A ASP 67.A N LEU 63.A O no hydrogen 2.956 N/A THR 68.A N GLY 64.A O no hydrogen 2.835 N/A THR 68.A OG1 GLY 64.A O no hydrogen 2.556 N/A THR 68.A OG1 GLU 65.A O no hydrogen 2.907 N/A SER 69.A N GLU 65.A O no hydrogen 2.918 N/A SER 69.A OG GLU 65.A O no hydrogen 2.402 N/A LEU 70.A N LYS 66.A O no hydrogen 2.936 N/A TYR 71.A N ASP 67.A O no hydrogen 2.889 N/A ARG 72.A N THR 68.A O no hydrogen 2.891 N/A ALA 74.A N TYR 71.A O no hydrogen 3.088 N/A ARG 80.A NH1 ARG 80.A O no hydrogen 2.413 N/A ARG 83.A NE ARG 83.A O no hydrogen 3.343 N/A ARG 83.A NH1 ARG 72.A O no hydrogen 3.340 N/A SER 84.A OG ARG 80.A O no hydrogen 3.070 N/A SER 85.A N GLN 81.A O no hydrogen 2.930 N/A SER 85.A OG GLN 81.A O no hydrogen 2.613 N/A THR 86.A N ILE 82.A O no hydrogen 2.893 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.584 N/A THR 87.A N ARG 83.A O no hydrogen 2.938 N/A THR 87.A OG1 ILE 109.A O no hydrogen 2.754 N/A SER 88.A N SER 84.A O no hydrogen 2.901 N/A SER 88.A OG SER 84.A O no hydrogen 3.213 N/A SER 88.A OG SER 85.A O no hydrogen 2.450 N/A MET 89.A N SER 85.A O no hydrogen 2.945 N/A THR 90.A N THR 86.A O no hydrogen 2.883 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.691 N/A SER 91.A N THR 87.A O no hydrogen 2.928 N/A SER 91.A OG SER 91.A O no hydrogen 2.499 N/A VAL 92.A N SER 88.A O no hydrogen 2.894 N/A LYS 94.A N VAL 92.A O no hydrogen 2.923 N/A LYS 94.A NZ SER 134.A OG no hydrogen 2.535 N/A LYS 97.A N PRO 93.A O no hydrogen 2.760 N/A LYS 97.A NZ THR 68.A OG1 no hydrogen 2.797 N/A LYS 97.A NZ MET 89.A O no hydrogen 3.283 N/A LYS 105.A N HIS 102.A O no hydrogen 3.225 N/A LYS 107.A NZ GLY 104.A O no hydrogen 2.384 N/A ILE 109.A N LEU 106.A O no hydrogen 3.508 N/A TYR 110.A N LYS 107.A O no hydrogen 3.292 N/A GLU 111.A N LYS 107.A O no hydrogen 2.923 N/A ASN 112.A ND2 GLU 108.A OE1 no hydrogen 3.164 N/A ASN 118.A ND2 TYR 110.A OH no hydrogen 2.382 N/A ARG 120.A N GLU 117.A O no hydrogen 2.946 N/A ARG 120.A NE GLU 117.A O no hydrogen 2.780 N/A PHE 121.A N ASN 118.A O no hydrogen 3.051 N/A ALA 122.A N ASN 118.A O no hydrogen 2.933 N/A SER 127.A OG SER 127.A O no hydrogen 2.383 N/A SER 134.A N ALA 130.A O no hydrogen 2.899 N/A SER 134.A OG ALA 130.A O no hydrogen 2.280 N/A GLY 135.A N MET 131.A O no hydrogen 2.880 N/A GLU 136.A N THR 132.A O no hydrogen 2.929 N/A ARG 137.A N MET 133.A O no hydrogen 2.868 N/A GLU 138.A N SER 134.A O no hydrogen 2.895 N/A CYS 139.A N GLY 135.A O no hydrogen 2.867 N/A CYS 139.A N GLU 136.A O no hydrogen 3.248 N/A CYS 139.A SG GLY 135.A O no hydrogen 3.202 N/A CYS 139.A SG LEU 185.A O no hydrogen 4.033 N/A LEU 140.A N GLU 136.A O no hydrogen 2.893 N/A LEU 140.A N ARG 137.A O no hydrogen 3.219 N/A LYS 141.A N ARG 137.A O no hydrogen 2.915 N/A LYS 141.A NZ GLU 111.A OE1 no hydrogen 2.801 N/A LYS 141.A NZ GLY 155.A O no hydrogen 3.009 N/A TYR 142.A OH HIS 156.A NE2 no hydrogen 2.892 N/A ARG 143.A NE CYS 139.A O no hydrogen 2.667 N/A LEU 144.A N LEU 140.A O no hydrogen 2.937 N/A VAL 145.A N LYS 141.A O no hydrogen 2.878 N/A GLY 146.A N TYR 142.A O no hydrogen 2.848 N/A GLN 148.A N VAL 145.A O no hydrogen 3.329 N/A GLU 149.A N VAL 145.A O no hydrogen 2.877 N/A HIS 156.A N SER 153.A O no hydrogen 2.566 N/A GLU 157.A N SER 153.A O no hydrogen 3.057 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 3.090 N/A TYR 158.A N TRP 154.A O no hydrogen 2.860 N/A ARG 160.A N HIS 156.A O no hydrogen 2.969 N/A HIS 161.A N GLU 157.A O no hydrogen 2.916 N/A LEU 162.A N TYR 158.A O no hydrogen 2.869 N/A ALA 163.A N VAL 159.A O no hydrogen 2.884 N/A GLY 164.A N ARG 160.A O no hydrogen 2.936 N/A GLU 165.A N HIS 161.A O no hydrogen 2.903 N/A VAL 166.A N LEU 162.A O no hydrogen 2.875 N/A ALA 167.A N ALA 163.A O no hydrogen 2.893 N/A LYS 168.A N GLY 164.A O no hydrogen 2.905 N/A GLU 169.A N VAL 166.A O no hydrogen 3.286 N/A TRP 170.A N VAL 166.A O no hydrogen 2.844 N/A TRP 170.A NE1 ILE 126.A O no hydrogen 3.111 N/A ASP 175.A N GLN 171.A O no hydrogen 2.961 N/A LYS 178.A NZ TRP 170.A O no hydrogen 3.439 N/A VAL 179.A N ALA 176.A O no hydrogen 3.027 N/A ARG 181.A N LYS 178.A O no hydrogen 3.077 N/A GLU 182.A N LYS 178.A O no hydrogen 2.932 N/A LEU 185.A N ARG 181.A O no hydrogen 3.038 N/A THR 186.A N GLU 182.A O no hydrogen 2.934 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.967 N/A THR 186.A OG1 PRO 183.A O no hydrogen 3.187 N/A THR 186.A OG1 GLU 201.A OE1 no hydrogen 3.038 N/A LEU 187.A N PRO 183.A O no hydrogen 2.891 N/A VAL 188.A N LEU 184.A O no hydrogen 2.959 N/A LYS 189.A N LEU 185.A O no hydrogen 2.914 N/A LYS 189.A NZ VAL 159.A O no hydrogen 3.291 N/A LYS 189.A NZ GLU 190.A OE2 no hydrogen 3.309 N/A ALA 197.A N PRO 193.A O no hydrogen 2.951 N/A HIS 198.A N TYR 194.A O no hydrogen 2.888 N/A ASN 199.A N ASN 195.A O no hydrogen 2.845 N/A ASN 199.A ND2 HIS 202.A NE2 no hydrogen 3.255 N/A ALA 200.A N MET 196.A O no hydrogen 2.960 N/A GLU 201.A N ALA 197.A O no hydrogen 2.935 N/A HIS 202.A N HIS 198.A O no hydrogen 2.897 N/A HIS 202.A ND1 ASP 206.A OD2 no hydrogen 3.308 N/A GLU 203.A N ASN 199.A O no hydrogen 2.918 N/A ALA 204.A N ALA 200.A O no hydrogen 2.983 N/A CYS 205.A N GLU 201.A O no hydrogen 2.936 N/A CYS 205.A SG GLU 201.A O no hydrogen 3.673 N/A CYS 205.A SG HIS 202.A O no hydrogen 3.640 N/A CYS 205.A SG GLN 213.A OE1 no hydrogen 3.626 N/A ASP 206.A N HIS 202.A O no hydrogen 2.915 N/A LEU 208.A N ALA 204.A O no hydrogen 2.970 N/A MET 209.A N CYS 205.A O no hydrogen 2.891 N/A MET 216.A N ASP 215.A OD1 no hydrogen 2.767 N/A LEU 217.A N GLN 213.A O no hydrogen 2.909 N/A GLU 218.A N VAL 214.A O no hydrogen 2.919 N/A LYS 219.A N ASP 215.A O no hydrogen 2.913 N/A LYS 219.A NZ GLU 835.A OE1 no hydrogen 3.275 N/A ASP 220.A N MET 216.A O no hydrogen 2.884 N/A ILE 221.A N LEU 217.A O no hydrogen 2.904 N/A ASP 222.A N GLU 218.A O no hydrogen 2.951 N/A GLU 223.A N LYS 219.A O no hydrogen 2.861 N/A ASN 224.A N ASP 220.A O no hydrogen 2.920 N/A ALA 225.A N ILE 221.A O no hydrogen 2.915 N/A TYR 226.A N ASP 222.A O no hydrogen 2.930 N/A TYR 226.A OH PRO 643.A O no hydrogen 2.646 N/A TYR 232.A N CYS 230.A O no hydrogen 2.626 N/A THR 234.A OG1 LYS 228.A O no hydrogen 3.486 N/A CYS 236.A SG TYR 232.A O no hydrogen 3.602 N/A TYR 239.A N SER 235.A O no hydrogen 2.901 N/A VAL 240.A N CYS 236.A O no hydrogen 2.924 N/A GLU 242.A N TYR 239.A O no hydrogen 3.339 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.396 N/A ASN 245.A N PRO 241.A O no hydrogen 2.935 N/A ASN 245.A ND2 PRO 241.A O no hydrogen 2.439 N/A SER 246.A N GLU 242.A O no hydrogen 2.877 N/A SER 246.A OG PRO 243.A O no hydrogen 2.529 N/A LEU 249.A N SER 246.A O no hydrogen 2.995 N/A ARG 250.A NH1 ARG 250.A O no hydrogen 3.141 N/A ARG 257.A N LEU 253.A O no hydrogen 2.956 N/A LYS 258.A N GLY 254.A O no hydrogen 3.480 N/A LYS 258.A NZ GLN 766.A OE1 no hydrogen 3.441 N/A PHE 259.A N VAL 255.A O no hydrogen 2.905 N/A SER 260.A N PHE 256.A O no hydrogen 2.888 N/A SER 260.A OG PHE 256.A O no hydrogen 3.356 N/A SER 260.A OG ARG 257.A O no hydrogen 2.863 N/A ARG 261.A N ARG 257.A O no hydrogen 2.913 N/A ARG 261.A N LYS 258.A O no hydrogen 3.212 N/A PHE 262.A N PHE 259.A O no hydrogen 3.246 N/A GLU 264.A N PHE 262.A O no hydrogen 2.620 N/A LEU 266.A N PRO 263.A O no hydrogen 3.230 N/A ARG 267.A N ALA 265.A O no hydrogen 2.788 N/A LEU 270.A N LEU 266.A O no hydrogen 3.212 N/A LEU 272.A N ARG 267.A O no hydrogen 2.431 N/A ASN 273.A ND2 ALA 269.A O no hydrogen 2.841 N/A ASP 274.A N MET 271.A O no hydrogen 3.498 N/A MET 275.A N MET 271.A O no hydrogen 3.164 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.877 N/A LEU 277.A N ASP 274.A O no hydrogen 3.415 N/A CYS 285.A SG ALA 252.A O no hydrogen 3.252 N/A ASP 287.A N SER 284.A O no hydrogen 3.117 N/A VAL 289.A N CYS 285.A O no hydrogen 2.924 N/A VAL 290.A N LYS 286.A O no hydrogen 3.000 N/A GLN 291.A N ASP 287.A O no hydrogen 2.873 N/A GLN 291.A NE2 ILE 320.A O no hydrogen 3.373 N/A LYS 292.A N VAL 288.A O no hydrogen 2.884 N/A LYS 292.A N VAL 289.A O no hydrogen 3.147 N/A ALA 295.A N GLN 293.A O no hydrogen 2.723 N/A ARG 300.A N PHE 296.A O no hydrogen 2.919 N/A HIS 301.A N MET 297.A O no hydrogen 2.870 N/A HIS 301.A ND1 MET 297.A O no hydrogen 2.361 N/A GLY 302.A N LEU 298.A O no hydrogen 2.931 N/A PHE 304.A N ARG 300.A O no hydrogen 2.911 N/A LEU 305.A N HIS 301.A O no hydrogen 2.901 N/A LEU 307.A N VAL 303.A O no hydrogen 2.931 N/A SER 308.A OG LEU 305.A O no hydrogen 2.263 N/A GLU 312.A N GLU 312.A OE1 no hydrogen 2.612 N/A THR 318.A N TYR 314.A O no hydrogen 2.916 N/A THR 318.A OG1 TYR 314.A O no hydrogen 2.714 N/A THR 318.A OG1 GLU 315.A O no hydrogen 2.780 N/A GLU 319.A N GLU 315.A O no hydrogen 2.907 N/A ILE 320.A N ASP 316.A O no hydrogen 2.941 N/A MET 321.A N LEU 317.A O no hydrogen 2.927 N/A MET 321.A N THR 318.A O no hydrogen 3.328 N/A SER 322.A N THR 318.A O no hydrogen 2.916 N/A SER 322.A OG VAL 455.A O no hydrogen 3.493 N/A ASN 323.A ND2 VAL 455.A O no hydrogen 3.137 N/A SER 328.A OG GLN 325.A O no hydrogen 2.812 N/A ASN 329.A N GLN 325.A O no hydrogen 2.927 N/A PHE 330.A N LEU 326.A O no hydrogen 2.874 N/A LEU 331.A N ASN 327.A O no hydrogen 2.910 N/A ALA 332.A N SER 328.A O no hydrogen 2.917 N/A LEU 333.A N ASN 329.A O no hydrogen 2.890 N/A ALA 334.A N PHE 330.A O no hydrogen 2.887 N/A ARG 335.A N LEU 331.A O no hydrogen 2.923 N/A LEU 337.A N ALA 332.A O no hydrogen 2.581 N/A GLU 341.A N ILE 339.A O no hydrogen 3.057 N/A LYS 343.A NZ GLN 387.A OE1 no hydrogen 3.459 N/A TYR 349.A N ASP 346.A O no hydrogen 3.326 N/A LYS 350.A N ASP 346.A O no hydrogen 2.948 N/A THR 351.A N ASP 347.A O no hydrogen 2.908 N/A ASN 356.A N LEU 353.A O no hydrogen 3.444 N/A ARG 357.A N GLU 354.A O no hydrogen 3.283 N/A ARG 357.A NH1 SER 363.A O no hydrogen 2.448 N/A SER 361.A OG GLY 360.A O no hydrogen 2.652 N/A ARG 369.A N SER 367.A OG no hydrogen 3.201 N/A ARG 369.A NH1 ALA 792.A O no hydrogen 2.974 N/A ARG 369.A NH2 ALA 792.A O no hydrogen 2.590 N/A ASN 371.A N SER 367.A O no hydrogen 2.906 N/A LEU 372.A N ALA 368.A O no hydrogen 2.883 N/A ALA 373.A N ARG 369.A O no hydrogen 2.923 N/A SER 374.A N MET 370.A O no hydrogen 2.917 N/A SER 374.A OG MET 370.A O no hydrogen 3.108 N/A SER 374.A OG ASN 371.A O no hydrogen 2.716 N/A SER 375.A N ASN 371.A O no hydrogen 2.861 N/A SER 375.A OG LEU 372.A O no hydrogen 2.441 N/A PHE 376.A N LEU 372.A O no hydrogen 2.939 N/A VAL 377.A N ALA 373.A O no hydrogen 2.946 N/A ASN 378.A N SER 374.A O no hydrogen 2.904 N/A GLY 379.A N SER 375.A O no hydrogen 2.875 N/A PHE 380.A N PHE 376.A O no hydrogen 2.946 N/A VAL 381.A N VAL 377.A O no hydrogen 2.961 N/A ASN 382.A N ASN 378.A O no hydrogen 2.951 N/A PHE 385.A N ILE 417.A O no hydrogen 3.259 N/A GLN 387.A NE2 GLU 341.A OE2 no hydrogen 3.039 N/A LYS 389.A NZ ASP 393.A OD1 no hydrogen 2.695 N/A LEU 399.A N GLY 395.A O no hydrogen 2.867 N/A TYR 400.A N ASN 396.A O no hydrogen 2.923 N/A LYS 401.A N LYS 397.A O no hydrogen 2.934 N/A LYS 401.A NZ LYS 397.A O no hydrogen 3.008 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.588 N/A MET 407.A N LYS 403.A O no hydrogen 2.913 N/A LEU 408.A N ASP 404.A O no hydrogen 2.909 N/A SER 409.A N HIS 405.A O no hydrogen 2.930 N/A SER 409.A OG HIS 405.A O no hydrogen 2.877 N/A ALA 410.A N GLY 406.A O no hydrogen 2.914 N/A ALA 411.A N MET 407.A O no hydrogen 2.877 N/A ALA 412.A N LEU 408.A O no hydrogen 2.923 N/A SER 413.A N SER 409.A O no hydrogen 2.884 N/A SER 413.A OG ALA 410.A O no hydrogen 2.735 N/A LEU 414.A N ALA 410.A O no hydrogen 2.948 N/A ILE 417.A N SER 413.A O no hydrogen 2.850 N/A LEU 418.A N LEU 414.A O no hydrogen 2.958 N/A THR 427.A OG1 GLY 424.A O no hydrogen 3.532 N/A THR 427.A OG1 GLN 428.A OE1 no hydrogen 2.788 N/A ILE 429.A N GLY 425.A O no hydrogen 2.936 N/A ASP 430.A N LEU 426.A O no hydrogen 2.884 N/A LYS 431.A N THR 427.A O no hydrogen 2.943 N/A LEU 433.A N ILE 429.A O no hydrogen 2.873 N/A TYR 434.A N ASP 430.A O no hydrogen 2.945 N/A SER 435.A OG LYS 431.A O no hydrogen 3.276 N/A SER 435.A OG TYR 432.A O no hydrogen 2.845 N/A ILE 440.A N GLU 437.A OE1 no hydrogen 2.657 N/A LYS 441.A N GLU 437.A O no hydrogen 2.894 N/A LYS 441.A NZ LEU 433.A O no hydrogen 2.872 N/A SER 442.A N ASP 438.A O no hydrogen 2.894 N/A GLY 443.A N TYR 439.A O no hydrogen 2.892 N/A ALA 444.A N ILE 440.A O no hydrogen 2.894 N/A LEU 445.A N LYS 441.A O no hydrogen 2.903 N/A LEU 446.A N SER 442.A O no hydrogen 2.899 N/A ALA 447.A N GLY 443.A O no hydrogen 2.876 N/A CYS 448.A N ALA 444.A O no hydrogen 2.876 N/A GLY 449.A N LEU 445.A O no hydrogen 2.977 N/A ILE 450.A N LEU 446.A O no hydrogen 2.853 N/A VAL 451.A N ALA 447.A O no hydrogen 2.919 N/A SER 453.A N ILE 450.A O no hydrogen 3.146 N/A SER 453.A OG LEU 487.A O no hydrogen 3.132 N/A ALA 464.A N ASP 460.A O no hydrogen 2.919 N/A LEU 465.A N PRO 461.A O no hydrogen 2.932 N/A LEU 466.A N LEU 463.A O no hydrogen 3.291 N/A SER 467.A N LEU 463.A O no hydrogen 2.918 N/A SER 467.A OG LEU 463.A O no hydrogen 3.173 N/A TYR 469.A N ASP 468.A OD1 no hydrogen 2.963 N/A LEU 471.A N ASP 468.A O no hydrogen 3.443 N/A ASN 473.A ND2 ASN 473.A O no hydrogen 2.845 N/A THR 476.A OG1 ASP 438.A OD1 no hydrogen 3.029 N/A THR 476.A OG1 ASP 438.A OD2 no hydrogen 3.458 N/A ARG 478.A N SER 474.A O no hydrogen 2.982 N/A ARG 478.A NE HIS 472.A O no hydrogen 3.297 N/A ARG 478.A NH1 ASN 475.A OD1 no hydrogen 2.619 N/A LEU 479.A N ASN 475.A O no hydrogen 2.899 N/A GLY 480.A N THR 476.A O no hydrogen 2.914 N/A SER 481.A N MET 477.A O no hydrogen 2.901 N/A SER 481.A OG LEU 466.A O no hydrogen 3.283 N/A ILE 482.A N ARG 478.A O no hydrogen 2.898 N/A PHE 483.A N LEU 479.A O no hydrogen 2.979 N/A GLY 484.A N GLY 480.A O no hydrogen 2.885 N/A LEU 485.A N SER 481.A O no hydrogen 2.913 N/A GLY 486.A N ILE 482.A O no hydrogen 2.947 N/A LEU 487.A N PHE 483.A O no hydrogen 2.939 N/A ALA 488.A N GLY 484.A O no hydrogen 2.897 N/A TYR 489.A N LEU 485.A O no hydrogen 2.929 N/A VAL 497.A N ASP 496.A OD1 no hydrogen 2.494 N/A LEU 498.A N ARG 494.A O no hydrogen 2.923 N/A THR 499.A N GLU 495.A O no hydrogen 2.855 N/A THR 499.A OG1 GLU 495.A O no hydrogen 2.937 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.717 N/A LEU 500.A N ASP 496.A O no hydrogen 2.927 N/A LEU 501.A N VAL 497.A O no hydrogen 2.887 N/A VAL 504.A N LEU 501.A O no hydrogen 3.212 N/A ASP 507.A N PRO 503.A O no hydrogen 2.915 N/A LYS 509.A N ASP 507.A OD1 no hydrogen 3.209 N/A LYS 509.A NZ ASP 507.A OD2 no hydrogen 3.365 N/A SER 510.A OG VAL 504.A O no hydrogen 2.789 N/A SER 510.A OG ASP 507.A O no hydrogen 2.905 N/A ALA 515.A N SER 511.A O no hydrogen 2.896 N/A GLY 516.A N MET 512.A O no hydrogen 2.896 N/A VAL 517.A N GLU 513.A O no hydrogen 2.926 N/A THR 518.A N VAL 514.A O no hydrogen 2.852 N/A THR 518.A OG1 VAL 514.A O no hydrogen 2.514 N/A ALA 519.A N ALA 515.A O no hydrogen 2.908 N/A LEU 520.A N GLY 516.A O no hydrogen 2.931 N/A ALA 521.A N VAL 517.A O no hydrogen 2.824 N/A CYS 522.A N THR 518.A O no hydrogen 2.887 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.164 N/A GLY 523.A N ALA 519.A O no hydrogen 2.987 N/A MET 524.A N LEU 520.A O no hydrogen 2.870 N/A ILE 525.A N ALA 521.A O no hydrogen 2.856 N/A ALA 526.A N CYS 522.A O no hydrogen 2.929 N/A VAL 527.A N ASN 493.A OD1 no hydrogen 2.974 N/A SER 529.A OG ASN 531.A OD1 no hydrogen 2.493 N/A VAL 534.A N CYS 530.A O no hydrogen 3.026 N/A THR 535.A N ASN 531.A O no hydrogen 2.909 N/A THR 535.A OG1 ASN 531.A O no hydrogen 2.633 N/A THR 535.A OG1 GLY 532.A O no hydrogen 2.802 N/A SER 536.A N GLY 532.A O no hydrogen 2.905 N/A SER 536.A OG GLY 532.A O no hydrogen 2.453 N/A THR 537.A N ASP 533.A O no hydrogen 2.917 N/A THR 537.A OG1 ASP 533.A O no hydrogen 3.007 N/A THR 537.A OG1 VAL 534.A O no hydrogen 2.659 N/A ILE 538.A N VAL 534.A O no hydrogen 2.942 N/A LEU 539.A N THR 535.A O no hydrogen 2.896 N/A GLN 540.A N SER 536.A O no hydrogen 2.947 N/A THR 541.A N THR 537.A O no hydrogen 2.916 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.640 N/A ILE 542.A N ILE 538.A O no hydrogen 2.857 N/A MET 543.A N LEU 539.A O no hydrogen 2.952 N/A GLU 544.A N ILE 542.A O no hydrogen 2.766 N/A GLU 549.A N LYS 545.A O no hydrogen 2.951 N/A LEU 550.A N SER 546.A O no hydrogen 2.900 N/A LYS 551.A N GLU 547.A O no hydrogen 2.921 N/A THR 553.A OG1 ASP 552.A O no hydrogen 2.555 N/A TRP 557.A N TYR 554.A O no hydrogen 3.398 N/A LEU 558.A N ALA 555.A O no hydrogen 3.097 N/A LEU 560.A N TRP 557.A O no hydrogen 3.320 N/A GLY 563.A N PRO 559.A O no hydrogen 2.930 N/A LEU 564.A N LEU 560.A O no hydrogen 2.869 N/A ASN 565.A N GLY 561.A O no hydrogen 2.896 N/A HIS 566.A N LEU 562.A O no hydrogen 2.943 N/A GLY 568.A N ALA 599.A O no hydrogen 3.012 N/A LYS 569.A NZ GLY 528.A O no hydrogen 2.573 N/A LYS 569.A NZ LEU 567.A O no hydrogen 2.796 N/A ALA 575.A N GLU 571.A O no hydrogen 2.909 N/A ALA 578.A N GLU 574.A O no hydrogen 2.893 N/A ALA 579.A N ALA 575.A O no hydrogen 2.939 N/A LEU 580.A N ILE 576.A O no hydrogen 2.875 N/A GLU 581.A N LEU 577.A O no hydrogen 2.918 N/A SER 584.A OG GLU 585.A O no hydrogen 3.160 N/A GLU 585.A N GLU 585.A OE1 no hydrogen 2.947 N/A ARG 588.A N GLU 585.A O no hydrogen 2.459 N/A ARG 588.A NH1 VAL 582.A O no hydrogen 2.563 N/A PHE 590.A N PRO 586.A O no hydrogen 2.968 N/A ALA 591.A N PHE 587.A O no hydrogen 2.882 N/A ASN 592.A N ARG 588.A O no hydrogen 2.855 N/A THR 593.A N SER 589.A O no hydrogen 2.915 N/A THR 593.A OG1 SER 589.A O no hydrogen 2.512 N/A THR 593.A OG1 PHE 590.A O no hydrogen 2.887 N/A THR 593.A OG1 ASP 628.A OD1 no hydrogen 2.672 N/A LEU 594.A N PHE 590.A O no hydrogen 2.944 N/A VAL 595.A N ALA 591.A O no hydrogen 2.896 N/A ASP 596.A N ASN 592.A O no hydrogen 2.889 N/A VAL 597.A N THR 593.A O no hydrogen 2.912 N/A CYS 598.A N LEU 594.A O no hydrogen 2.917 N/A CYS 598.A SG LEU 594.A O no hydrogen 3.295 N/A ALA 599.A N VAL 595.A O no hydrogen 2.909 N/A TYR 600.A N VAL 597.A O no hydrogen 3.264 N/A GLN 610.A N VAL 606.A O no hydrogen 2.888 N/A GLN 611.A N LEU 607.A O no hydrogen 2.909 N/A LEU 612.A N LYS 608.A O no hydrogen 2.925 N/A LEU 613.A N VAL 609.A O no hydrogen 2.874 N/A HIS 614.A N GLN 610.A O no hydrogen 2.894 N/A HIS 614.A N GLN 611.A O no hydrogen 3.307 N/A ILE 615.A N GLN 611.A O no hydrogen 2.901 N/A CYS 616.A SG ASP 628.A OD2 no hydrogen 3.416 N/A SER 617.A OG LEU 613.A O no hydrogen 2.720 N/A SER 617.A OG HIS 614.A O no hydrogen 2.949 N/A GLU 618.A N HIS 614.A O no hydrogen 2.895 N/A HIS 619.A N ILE 615.A O no hydrogen 2.891 N/A PHE 620.A N CYS 616.A O no hydrogen 2.902 N/A LYS 623.A NZ HIS 619.A O no hydrogen 2.923 N/A LYS 625.A NZ GLU 626.A O no hydrogen 2.434 N/A LYS 631.A NZ PHE 590.A O no hydrogen 2.485 N/A LYS 631.A NZ ASP 628.A OD1 no hydrogen 2.807 N/A LYS 632.A N ASP 628.A O no hydrogen 2.923 N/A LYS 632.A NZ LEU 612.A O no hydrogen 3.321 N/A LYS 634.A N ASP 630.A O no hydrogen 2.912 N/A LYS 635.A N LYS 631.A O no hydrogen 2.908 N/A ASP 638.A N LYS 635.A O no hydrogen 3.304 N/A LYS 639.A N ALA 601.A O no hydrogen 2.887 N/A LYS 640.A N LYS 637.A O no hydrogen 3.172 N/A LYS 640.A NZ GLY 647.A O no hydrogen 3.418 N/A GLN 650.A N MET 646.A O no hydrogen 2.970 N/A GLY 651.A N GLY 647.A O no hydrogen 2.842 N/A VAL 652.A N ALA 648.A O no hydrogen 2.957 N/A VAL 654.A N GLN 650.A O no hydrogen 2.960 N/A LEU 655.A N GLY 651.A O no hydrogen 2.875 N/A GLY 656.A N VAL 652.A O no hydrogen 2.902 N/A ILE 657.A N ALA 653.A O no hydrogen 2.956 N/A LEU 659.A N LEU 655.A O no hydrogen 3.050 N/A GLU 665.A N GLU 665.A OE1 no hydrogen 2.816 N/A ILE 666.A N GLU 664.A OE1 no hydrogen 2.813 N/A ALA 668.A N GLU 664.A OE1 no hydrogen 3.006 N/A MET 670.A N GLY 667.A O no hydrogen 3.409 N/A THR 674.A OG1 GLU 633.A O no hydrogen 3.221 N/A THR 674.A OG1 LYS 634.A O no hydrogen 3.117 N/A PHE 675.A N LEU 672.A O no hydrogen 3.203 N/A HIS 677.A N ARG 673.A O no hydrogen 2.927 N/A LEU 678.A N THR 674.A O no hydrogen 2.902 N/A LEU 679.A N PHE 675.A O no hydrogen 2.946 N/A ARG 680.A NE PHE 760.A O no hydrogen 2.824 N/A ARG 680.A NH2 PHE 760.A O no hydrogen 3.228 N/A GLY 682.A N HIS 715.A O no hydrogen 2.852 N/A THR 685.A OG1 PRO 684.A O no hydrogen 2.715 N/A LEU 686.A N GLU 683.A OE1 no hydrogen 2.909 N/A ARG 687.A N GLU 683.A OE1 no hydrogen 2.633 N/A ARG 687.A NH2 HIS 649.A ND1 no hydrogen 3.000 N/A ALA 693.A N ARG 688.A O no hydrogen 3.258 N/A LEU 694.A N ALA 689.A O no hydrogen 3.208 N/A SER 698.A N ALA 695.A O no hydrogen 3.211 N/A SER 698.A OG ALA 695.A O no hydrogen 2.830 N/A SER 698.A OG ASN 705.A OD1 no hydrogen 3.076 N/A ARG 703.A N ASN 701.A OD1 no hydrogen 2.944 N/A ASN 705.A N ASN 701.A O no hydrogen 2.978 N/A ASN 705.A ND2 SER 698.A O no hydrogen 2.711 N/A ILE 706.A N PRO 702.A O no hydrogen 2.858 N/A LEU 707.A N ARG 703.A O no hydrogen 2.918 N/A ASP 708.A N LEU 704.A O no hydrogen 2.948 N/A THR 709.A N ASN 705.A O no hydrogen 2.978 N/A THR 709.A OG1 ASN 705.A O no hydrogen 2.783 N/A THR 709.A OG1 ILE 706.A O no hydrogen 2.520 N/A LEU 710.A N ILE 706.A O no hydrogen 2.959 N/A SER 711.A N LEU 707.A O no hydrogen 2.806 N/A SER 711.A OG LEU 672.A O no hydrogen 2.585 N/A LYS 712.A N ASP 708.A O no hydrogen 2.930 N/A SER 714.A N LEU 710.A O no hydrogen 2.946 N/A SER 714.A OG SER 711.A O no hydrogen 3.007 N/A SER 714.A OG TYR 781.A OH no hydrogen 3.414 N/A HIS 715.A N SER 711.A O no hydrogen 2.927 N/A HIS 715.A N LYS 712.A O no hydrogen 3.172 N/A ASP 716.A N LYS 712.A O no hydrogen 2.947 N/A SER 725.A OG SER 722.A O no hydrogen 3.206 N/A ALA 728.A N ASN 724.A O no hydrogen 2.900 N/A MET 729.A N SER 725.A O no hydrogen 2.892 N/A GLY 730.A N ILE 726.A O no hydrogen 2.846 N/A MET 731.A N PHE 727.A O no hydrogen 2.986 N/A VAL 732.A N ALA 728.A O no hydrogen 2.955 N/A SER 734.A N MET 731.A O no hydrogen 3.260 N/A SER 734.A OG GLY 730.A O no hydrogen 2.299 N/A GLY 735.A N MET 731.A O no hydrogen 2.905 N/A THR 736.A OG1 THR 736.A O no hydrogen 2.383 N/A ALA 743.A N ALA 739.A O no hydrogen 2.901 N/A MET 744.A N ARG 740.A O no hydrogen 2.860 N/A LEU 745.A N LEU 741.A O no hydrogen 2.988 N/A ARG 746.A N ALA 742.A O no hydrogen 2.965 N/A ARG 746.A NE THR 736.A O no hydrogen 3.293 N/A ARG 746.A NH1 GLN 747.A OE1 no hydrogen 2.496 N/A GLN 747.A N ALA 743.A O no hydrogen 2.954 N/A LEU 748.A N MET 744.A O no hydrogen 2.832 N/A ALA 749.A N LEU 745.A O no hydrogen 2.912 N/A GLN 750.A N ARG 746.A O no hydrogen 2.975 N/A HIS 752.A N ALA 749.A O no hydrogen 3.161 N/A ALA 753.A N ALA 749.A O no hydrogen 2.971 N/A ASP 755.A N ASP 718.A OD1 no hydrogen 3.261 N/A ASN 757.A N GLU 720.A OE2 no hydrogen 3.445 N/A GLN 766.A N GLN 766.A OE1 no hydrogen 2.703 N/A GLN 766.A NE2 THR 769.A OG1 no hydrogen 3.182 N/A GLY 767.A N LEU 764.A O no hydrogen 3.048 N/A THR 775.A N LEU 771.A O no hydrogen 2.913 N/A TYR 781.A N LEU 778.A O no hydrogen 3.086 N/A HIS 782.A N LEU 778.A O no hydrogen 3.341 N/A SER 783.A N CYS 779.A O no hydrogen 2.990 N/A SER 783.A OG CYS 779.A O no hydrogen 2.318 N/A ARG 785.A N HIS 782.A O no hydrogen 3.361 N/A ARG 785.A NH1 ARG 785.A O no hydrogen 2.799 N/A GLN 786.A N SER 783.A O no hydrogen 3.265 N/A LEU 787.A N SER 783.A O no hydrogen 2.956 N/A SER 789.A OG TYR 554.A OH no hydrogen 3.274 N/A GLN 790.A N LEU 787.A O no hydrogen 3.233 N/A VAL 791.A N LEU 787.A O no hydrogen 3.323 N/A ALA 792.A N LEU 787.A O no hydrogen 3.215 N/A GLY 795.A N VAL 793.A O no hydrogen 2.680 N/A VAL 801.A N THR 798.A O no hydrogen 3.206 N/A SER 802.A N THR 798.A O no hydrogen 2.885 N/A SER 802.A OG VAL 799.A O no hydrogen 2.970 N/A PHE 803.A N VAL 799.A O no hydrogen 3.014 N/A LEU 804.A N VAL 801.A O no hydrogen 3.338 N/A ASP 805.A N PHE 803.A O no hydrogen 3.016 N/A LEU 811.A N GLY 854.A O no hydrogen 3.367 N/A GLY 812.A N GLU 878.A O no hydrogen 2.499 N/A LYS 813.A N TYR 819.A OH no hydrogen 2.974 N/A VAL 831.A N VAL 842.A O no hydrogen 3.125 N/A PHE 833.A N VAL 831.A O no hydrogen 3.190 N/A GLU 835.A N ASP 834.A OD1 no hydrogen 2.829 N/A LEU 840.A N ARG 838.A O no hydrogen 2.719 N/A GLN 855.A N GLN 855.A OE1 no hydrogen 2.708 N/A ALA 856.A N ILE 809.A O no hydrogen 3.469 N/A LYS 858.A NZ ASP 645.A OD2 no hydrogen 2.921 N/A THR 861.A OG1 VAL 842.A O no hydrogen 3.015 N/A ILE 862.A N THR 861.A OG1 no hydrogen 2.628 N/A THR 867.A OG1 GLN 866.A O no hydrogen 2.549 N/A THR 869.A OG1 HIS 868.A O no hydrogen 2.532 N/A ALA 883.A N THR 870.A O no hydrogen 3.428 N/A THR 884.A OG1 GLU 885.A O no hydrogen 3.418 N/A PHE 887.A N GLU 885.A O no hydrogen 3.058 N/A