Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3h_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N ARG 6.A O no hydrogen 3.142 N/A VAL 11.A N LYS 8.A O no hydrogen 2.820 N/A GLN 12.A N LYS 8.A O no hydrogen 2.832 N/A GLN 14.A N VAL 11.A O no hydrogen 3.102 N/A GLN 15.A N VAL 11.A O no hydrogen 2.405 N/A SER 16.A N GLN 12.A O no hydrogen 2.973 N/A SER 16.A OG GLN 12.A O no hydrogen 3.472 N/A ALA 18.A N GLN 14.A O no hydrogen 3.081 N/A ALA 19.A N SER 16.A O no hydrogen 2.989 N/A ALA 20.A N SER 16.A O no hydrogen 3.270 N/A ALA 20.A N PRO 17.A O no hydrogen 3.321 N/A GLY 23.A N ALA 19.A O no hydrogen 2.948 N/A THR 24.A OG1 GLU 77.A OE2 no hydrogen 3.552 N/A ASP 25.A N GLY 22.A O no hydrogen 2.902 N/A LYS 31.A N LYS 27.A O no hydrogen 3.362 N/A LYS 31.A NZ GLY 23.A O no hydrogen 3.226 N/A LYS 31.A NZ THR 24.A O no hydrogen 3.071 N/A LYS 31.A NZ LYS 27.A O no hydrogen 3.079 N/A LYS 31.A NZ PRO 28.A O no hydrogen 3.561 N/A ARG 33.A N SER 29.A O no hydrogen 2.968 N/A ARG 33.A NH1 SER 29.A OG no hydrogen 2.981 N/A ARG 34.A N GLY 30.A O no hydrogen 2.908 N/A ASP 35.A N LYS 31.A O no hydrogen 3.038 N/A ALA 36.A N GLU 32.A O no hydrogen 2.909 N/A GLY 37.A N ARG 33.A O no hydrogen 2.934 N/A ASP 38.A N ARG 34.A O no hydrogen 2.891 N/A LYS 39.A N ASP 35.A O no hydrogen 2.858 N/A ASP 40.A N ALA 36.A O no hydrogen 2.935 N/A LYS 41.A N GLY 37.A O no hydrogen 2.971 N/A GLU 42.A N ASP 38.A O no hydrogen 2.915 N/A GLN 43.A N LYS 39.A O no hydrogen 2.924 N/A GLU 44.A N ASP 40.A O no hydrogen 2.925 N/A LEU 45.A N LYS 41.A O no hydrogen 2.946 N/A SER 46.A N GLU 42.A O no hydrogen 2.937 N/A SER 46.A OG ASP 54.A OD2 no hydrogen 3.298 N/A SER 46.A OG GLU 57.A OE2 no hydrogen 3.273 N/A GLU 47.A N GLN 43.A O no hydrogen 2.895 N/A MET 58.A N ASP 54.A O no hydrogen 3.332 N/A LEU 59.A N GLU 55.A O no hydrogen 3.176 N/A VAL 60.A N LEU 56.A O no hydrogen 3.129 N/A GLU 61.A N GLU 57.A O no hydrogen 2.892 N/A LEU 63.A N VAL 60.A O no hydrogen 3.135 N/A GLY 64.A N VAL 60.A O no hydrogen 2.850 N/A LYS 66.A NZ ARG 62.A O no hydrogen 3.249 N/A THR 68.A N GLY 64.A O no hydrogen 2.887 N/A THR 68.A OG1 GLY 64.A O no hydrogen 2.730 N/A THR 68.A OG1 GLU 65.A O no hydrogen 2.912 N/A SER 69.A N GLU 65.A O no hydrogen 2.908 N/A SER 69.A OG GLU 65.A O no hydrogen 2.496 N/A SER 69.A OG GLU 65.A OE2 no hydrogen 2.634 N/A LEU 70.A N LYS 66.A O no hydrogen 2.920 N/A TYR 71.A N ASP 67.A O no hydrogen 2.856 N/A ARG 72.A N THR 68.A O no hydrogen 2.927 N/A ARG 72.A NH1 ILE 109.A O no hydrogen 3.367 N/A ARG 72.A NH1 ASN 112.A OD1 no hydrogen 3.091 N/A ARG 72.A NH2 ASN 112.A OD1 no hydrogen 2.447 N/A ARG 79.A N GLU 77.A O no hydrogen 2.697 N/A ARG 79.A NH1 GLN 81.A OE1 no hydrogen 2.736 N/A ARG 80.A NH1 ARG 80.A O no hydrogen 2.359 N/A ARG 80.A NH1 SER 85.A OG no hydrogen 3.267 N/A ARG 83.A N ARG 79.A O no hydrogen 2.913 N/A ARG 83.A NE ARG 83.A O no hydrogen 3.575 N/A ARG 83.A NH1 ARG 72.A O no hydrogen 2.621 N/A SER 84.A N ARG 79.A O no hydrogen 3.374 N/A SER 85.A OG ARG 80.A O no hydrogen 3.491 N/A SER 85.A OG GLN 81.A O no hydrogen 2.579 N/A THR 86.A N ILE 82.A O no hydrogen 2.906 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.546 N/A THR 87.A N ARG 83.A O no hydrogen 2.928 N/A THR 87.A OG1 ILE 109.A O no hydrogen 2.304 N/A SER 88.A N SER 84.A O no hydrogen 2.921 N/A SER 88.A OG SER 84.A O no hydrogen 3.140 N/A SER 88.A OG SER 85.A O no hydrogen 2.569 N/A MET 89.A N SER 85.A O no hydrogen 2.910 N/A THR 90.A N THR 86.A O no hydrogen 2.959 N/A THR 90.A OG1 THR 86.A O no hydrogen 3.111 N/A SER 91.A N THR 87.A O no hydrogen 2.893 N/A SER 91.A N SER 88.A O no hydrogen 3.271 N/A VAL 92.A N SER 88.A O no hydrogen 3.419 N/A LYS 94.A N SER 91.A O no hydrogen 3.389 N/A LYS 94.A NZ LEU 106.A O no hydrogen 2.375 N/A LEU 96.A N PRO 93.A O no hydrogen 2.889 N/A LYS 97.A N PRO 93.A O no hydrogen 2.422 N/A LYS 97.A NZ THR 68.A OG1 no hydrogen 3.137 N/A PHE 98.A N PRO 93.A O no hydrogen 3.355 N/A HIS 102.A N ARG 100.A O no hydrogen 2.595 N/A LYS 105.A N HIS 102.A O no hydrogen 3.090 N/A LYS 105.A NZ PRO 101.A O no hydrogen 3.083 N/A LYS 107.A NZ GLY 104.A O no hydrogen 2.433 N/A GLU 108.A N LYS 105.A O no hydrogen 3.168 N/A GLU 111.A N LYS 107.A O no hydrogen 3.081 N/A ASN 112.A ND2 GLU 108.A O no hydrogen 2.930 N/A ARG 120.A N GLU 117.A O no hydrogen 2.414 N/A PHE 121.A N ASN 118.A O no hydrogen 3.317 N/A ALA 123.A N ARG 120.A O no hydrogen 3.452 N/A THR 132.A N SER 127.A O no hydrogen 3.428 N/A THR 132.A OG1 SER 127.A O no hydrogen 3.354 N/A SER 134.A N ALA 130.A O no hydrogen 2.365 N/A SER 134.A OG ALA 130.A O no hydrogen 3.058 N/A GLY 135.A N MET 131.A O no hydrogen 2.873 N/A GLU 136.A N THR 132.A O no hydrogen 2.949 N/A ARG 137.A N MET 133.A O no hydrogen 3.011 N/A ARG 137.A NH1 LEU 106.A O no hydrogen 2.893 N/A GLU 138.A N SER 134.A O no hydrogen 2.809 N/A CYS 139.A N GLY 135.A O no hydrogen 2.964 N/A CYS 139.A SG GLY 135.A O no hydrogen 3.529 N/A CYS 139.A SG LEU 185.A O no hydrogen 3.842 N/A LEU 140.A N GLU 136.A O no hydrogen 3.002 N/A LYS 141.A N ARG 137.A O no hydrogen 2.827 N/A LYS 141.A NZ GLY 155.A O no hydrogen 3.106 N/A TYR 142.A N GLU 138.A O no hydrogen 2.888 N/A ARG 143.A N CYS 139.A O no hydrogen 2.973 N/A LEU 144.A N LEU 140.A O no hydrogen 2.959 N/A VAL 145.A N LYS 141.A O no hydrogen 2.869 N/A GLY 146.A N TYR 142.A O no hydrogen 2.860 N/A GLU 149.A N VAL 145.A O no hydrogen 2.874 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.893 N/A HIS 156.A N SER 153.A O no hydrogen 2.903 N/A GLU 157.A N TRP 154.A O no hydrogen 3.176 N/A TYR 158.A N TRP 154.A O no hydrogen 2.885 N/A ARG 160.A NH2 MET 196.A O no hydrogen 2.989 N/A HIS 161.A N GLU 157.A O no hydrogen 2.927 N/A LEU 162.A N TYR 158.A O no hydrogen 2.884 N/A ALA 163.A N VAL 159.A O no hydrogen 2.855 N/A GLY 164.A N ARG 160.A O no hydrogen 2.909 N/A GLU 165.A N HIS 161.A O no hydrogen 2.912 N/A VAL 166.A N LEU 162.A O no hydrogen 2.914 N/A ALA 167.A N ALA 163.A O no hydrogen 2.885 N/A LYS 168.A N GLY 164.A O no hydrogen 2.899 N/A GLU 169.A N GLU 165.A O no hydrogen 2.942 N/A TRP 170.A N VAL 166.A O no hydrogen 2.847 N/A GLN 171.A NE2 GLU 212.A OE1 no hydrogen 3.159 N/A GLU 172.A N GLU 169.A O no hydrogen 3.048 N/A LEU 173.A N TRP 170.A O no hydrogen 3.245 N/A VAL 179.A N ALA 176.A O no hydrogen 3.061 N/A GLN 180.A NE2 ASP 834.A O no hydrogen 3.108 N/A ARG 181.A N LYS 178.A O no hydrogen 3.072 N/A GLU 182.A N LYS 178.A O no hydrogen 2.908 N/A LEU 185.A N ARG 181.A O no hydrogen 3.189 N/A THR 186.A N GLU 182.A O no hydrogen 2.890 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.930 N/A THR 186.A OG1 PRO 183.A O no hydrogen 3.310 N/A THR 186.A OG1 GLU 201.A OE1 no hydrogen 2.646 N/A VAL 188.A N LEU 184.A O no hydrogen 2.946 N/A LYS 189.A N LEU 185.A O no hydrogen 3.304 N/A LYS 189.A NZ GLU 190.A OE2 no hydrogen 2.555 N/A ALA 197.A N PRO 193.A O no hydrogen 3.438 N/A HIS 198.A N TYR 194.A O no hydrogen 2.896 N/A ASN 199.A N ASN 195.A O no hydrogen 2.834 N/A ASN 199.A ND2 HIS 202.A NE2 no hydrogen 2.978 N/A ALA 200.A N MET 196.A O no hydrogen 2.908 N/A GLU 201.A N ALA 197.A O no hydrogen 2.940 N/A HIS 202.A N HIS 198.A O no hydrogen 2.862 N/A GLU 203.A N ASN 199.A O no hydrogen 2.906 N/A ALA 204.A N GLU 201.A O no hydrogen 3.319 N/A CYS 205.A N GLU 201.A O no hydrogen 2.983 N/A CYS 205.A SG GLN 213.A OE1 no hydrogen 3.787 N/A LEU 207.A N ASP 206.A OD1 no hydrogen 2.625 N/A LEU 208.A N ALA 204.A O no hydrogen 2.899 N/A GLN 213.A NE2 CYS 205.A O no hydrogen 2.694 N/A GLN 213.A NE2 MET 209.A O no hydrogen 2.467 N/A MET 216.A N ASP 215.A OD1 no hydrogen 2.837 N/A LEU 217.A N GLN 213.A O no hydrogen 2.922 N/A GLU 218.A N VAL 214.A O no hydrogen 2.929 N/A LYS 219.A N ASP 215.A O no hydrogen 2.901 N/A LYS 219.A NZ GLU 223.A OE2 no hydrogen 3.104 N/A ASP 220.A N MET 216.A O no hydrogen 2.938 N/A ILE 221.A N LEU 217.A O no hydrogen 2.917 N/A ASP 222.A N GLU 218.A O no hydrogen 2.938 N/A GLU 223.A N LYS 219.A O no hydrogen 2.871 N/A ASN 224.A N ASP 220.A O no hydrogen 2.984 N/A TYR 226.A OH PRO 643.A O no hydrogen 2.832 N/A LYS 228.A NZ TYR 232.A OH no hydrogen 2.851 N/A TYR 232.A N CYS 230.A O no hydrogen 2.856 N/A CYS 236.A N TYR 232.A O no hydrogen 2.940 N/A CYS 236.A SG TYR 232.A O no hydrogen 3.353 N/A ASN 238.A N SER 235.A O no hydrogen 2.961 N/A TYR 239.A N SER 235.A O no hydrogen 2.817 N/A VAL 240.A N CYS 236.A O no hydrogen 3.314 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.622 N/A ASN 245.A N PRO 241.A O no hydrogen 3.024 N/A SER 246.A N GLU 242.A O no hydrogen 2.858 N/A SER 246.A OG PRO 243.A O no hydrogen 2.453 N/A LEU 248.A N PRO 243.A O no hydrogen 3.405 N/A LEU 249.A N SER 246.A O no hydrogen 3.136 N/A PHE 259.A N VAL 255.A O no hydrogen 2.958 N/A SER 260.A N PHE 256.A O no hydrogen 2.872 N/A SER 260.A OG ARG 257.A O no hydrogen 2.885 N/A ARG 261.A N ARG 257.A O no hydrogen 2.939 N/A ARG 261.A N LYS 258.A O no hydrogen 3.322 N/A ARG 261.A NH2 ALA 295.A O no hydrogen 3.106 N/A PHE 262.A N PHE 259.A O no hydrogen 3.180 N/A GLU 264.A N PHE 262.A O no hydrogen 2.620 N/A ALA 265.A N ARG 261.A O no hydrogen 2.981 N/A LEU 270.A N LEU 266.A O no hydrogen 3.290 N/A MET 271.A N LEU 266.A O no hydrogen 3.420 N/A LEU 272.A N ARG 267.A O no hydrogen 2.421 N/A ASN 273.A ND2 ALA 269.A O no hydrogen 2.822 N/A ASP 274.A N MET 271.A O no hydrogen 3.227 N/A MET 275.A N MET 271.A O no hydrogen 2.817 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.640 N/A THR 283.A OG1 TYR 816.A OH no hydrogen 3.385 N/A LYS 286.A N ILE 281.A O no hydrogen 3.332 N/A LYS 286.A NZ GLU 279.A OE2 no hydrogen 3.202 N/A VAL 289.A N CYS 285.A O no hydrogen 2.923 N/A VAL 290.A N LYS 286.A O no hydrogen 2.969 N/A GLN 291.A N VAL 288.A O no hydrogen 3.250 N/A LYS 292.A N VAL 288.A O no hydrogen 2.863 N/A HIS 301.A N MET 297.A O no hydrogen 2.966 N/A HIS 301.A ND1 MET 297.A O no hydrogen 2.503 N/A GLY 302.A N LEU 298.A O no hydrogen 2.927 N/A VAL 303.A N ARG 300.A O no hydrogen 3.456 N/A PHE 304.A N ARG 300.A O no hydrogen 2.921 N/A LEU 307.A N VAL 303.A O no hydrogen 3.080 N/A SER 308.A N PHE 304.A O no hydrogen 3.119 N/A GLU 312.A N GLU 312.A OE1 no hydrogen 2.725 N/A LEU 317.A N GLU 313.A O no hydrogen 3.286 N/A THR 318.A N TYR 314.A O no hydrogen 3.004 N/A THR 318.A OG1 TYR 314.A O no hydrogen 2.993 N/A THR 318.A OG1 GLU 315.A O no hydrogen 3.250 N/A GLU 319.A N GLU 315.A O no hydrogen 2.876 N/A ILE 320.A N ASP 316.A O no hydrogen 2.908 N/A MET 321.A N LEU 317.A O no hydrogen 2.937 N/A SER 322.A N THR 318.A O no hydrogen 3.331 N/A SER 322.A OG VAL 455.A O no hydrogen 2.338 N/A ASN 327.A N ASN 323.A O no hydrogen 2.392 N/A SER 328.A N VAL 324.A O no hydrogen 2.990 N/A SER 328.A OG VAL 324.A O no hydrogen 3.312 N/A SER 328.A OG GLN 325.A O no hydrogen 3.053 N/A ASN 329.A N GLN 325.A O no hydrogen 2.840 N/A PHE 330.A N LEU 326.A O no hydrogen 2.819 N/A LEU 331.A N ASN 327.A O no hydrogen 2.942 N/A ALA 332.A N SER 328.A O no hydrogen 2.914 N/A LEU 333.A N ASN 329.A O no hydrogen 2.835 N/A ALA 334.A N PHE 330.A O no hydrogen 2.878 N/A ARG 335.A N LEU 331.A O no hydrogen 2.898 N/A ARG 335.A NE LEU 331.A O no hydrogen 3.381 N/A GLU 336.A N ALA 332.A O no hydrogen 2.858 N/A LEU 337.A N ALA 332.A O no hydrogen 3.019 N/A ASP 338.A N LEU 333.A O no hydrogen 3.146 N/A GLU 341.A N ILE 339.A O no hydrogen 2.736 N/A LYS 343.A NZ GLN 387.A OE1 no hydrogen 3.545 N/A THR 351.A N ASP 347.A O no hydrogen 3.150 N/A THR 351.A OG1 LEU 353.A O no hydrogen 3.237 N/A THR 351.A OG1 ASN 356.A OD1 no hydrogen 2.438 N/A GLU 354.A N GLU 354.A OE1 no hydrogen 2.753 N/A ASN 356.A N LEU 353.A O no hydrogen 3.274 N/A PHE 358.A N ASN 355.A O no hydrogen 3.206 N/A SER 361.A N ARG 357.A O no hydrogen 2.872 N/A SER 361.A OG GLY 360.A O no hydrogen 2.655 N/A ARG 369.A N SER 367.A OG no hydrogen 3.301 N/A ARG 369.A NH1 ALA 792.A O no hydrogen 3.225 N/A ARG 369.A NH2 ALA 792.A O no hydrogen 2.354 N/A ASN 371.A N SER 367.A O no hydrogen 3.269 N/A LEU 372.A N ALA 368.A O no hydrogen 2.865 N/A ALA 373.A N ARG 369.A O no hydrogen 2.942 N/A SER 374.A N MET 370.A O no hydrogen 2.892 N/A SER 374.A OG MET 370.A O no hydrogen 3.238 N/A SER 374.A OG ASN 371.A O no hydrogen 2.691 N/A SER 375.A N ASN 371.A O no hydrogen 2.851 N/A SER 375.A OG LEU 372.A O no hydrogen 2.318 N/A PHE 376.A N LEU 372.A O no hydrogen 2.966 N/A VAL 377.A N ALA 373.A O no hydrogen 2.937 N/A ASN 378.A N SER 374.A O no hydrogen 2.873 N/A GLY 379.A N SER 375.A O no hydrogen 2.965 N/A PHE 380.A N PHE 376.A O no hydrogen 2.924 N/A VAL 381.A N VAL 377.A O no hydrogen 2.925 N/A ASN 382.A ND2 VAL 344.A O no hydrogen 3.404 N/A ASN 382.A ND2 ASP 388.A O no hydrogen 3.489 N/A ALA 383.A N PHE 380.A O no hydrogen 3.183 N/A PHE 385.A N ILE 417.A O no hydrogen 2.963 N/A GLN 387.A NE2 GLU 341.A OE2 no hydrogen 2.931 N/A LEU 399.A N GLY 395.A O no hydrogen 2.589 N/A TYR 400.A N LYS 397.A O no hydrogen 3.335 N/A LYS 401.A NZ LYS 397.A O no hydrogen 2.582 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.804 N/A MET 407.A N LYS 403.A O no hydrogen 2.764 N/A LEU 408.A N ASP 404.A O no hydrogen 2.917 N/A SER 409.A N HIS 405.A O no hydrogen 2.951 N/A SER 409.A OG HIS 405.A O no hydrogen 3.291 N/A ALA 410.A N GLY 406.A O no hydrogen 2.884 N/A ALA 411.A N MET 407.A O no hydrogen 2.898 N/A ALA 412.A N LEU 408.A O no hydrogen 2.997 N/A SER 413.A N SER 409.A O no hydrogen 2.852 N/A SER 413.A OG ALA 410.A O no hydrogen 2.542 N/A LEU 414.A N ALA 410.A O no hydrogen 2.867 N/A GLY 415.A N ALA 411.A O no hydrogen 2.992 N/A MET 416.A N ALA 412.A O no hydrogen 2.908 N/A ILE 417.A N SER 413.A O no hydrogen 2.942 N/A LEU 418.A N GLY 415.A O no hydrogen 2.979 N/A THR 427.A OG1 GLY 424.A O no hydrogen 2.953 N/A THR 427.A OG1 GLN 428.A OE1 no hydrogen 2.352 N/A ILE 429.A N GLY 425.A O no hydrogen 2.959 N/A ASP 430.A N LEU 426.A O no hydrogen 2.881 N/A LYS 431.A NZ ASN 396.A OD1 no hydrogen 3.184 N/A LEU 433.A N ASP 430.A O no hydrogen 3.100 N/A SER 435.A N LEU 433.A O no hydrogen 2.962 N/A SER 435.A OG TYR 432.A O no hydrogen 2.819 N/A SER 436.A OG SER 436.A O no hydrogen 2.639 N/A ILE 440.A N GLU 437.A OE1 no hydrogen 2.868 N/A LYS 441.A N GLU 437.A O no hydrogen 3.265 N/A LYS 441.A NZ LEU 433.A O no hydrogen 2.490 N/A SER 442.A N ASP 438.A O no hydrogen 2.946 N/A SER 442.A OG THR 476.A O no hydrogen 2.745 N/A GLY 443.A N TYR 439.A O no hydrogen 2.889 N/A ALA 444.A N ILE 440.A O no hydrogen 2.886 N/A LEU 445.A N LYS 441.A O no hydrogen 2.895 N/A LEU 446.A N SER 442.A O no hydrogen 2.923 N/A ALA 447.A N GLY 443.A O no hydrogen 2.838 N/A CYS 448.A N ALA 444.A O no hydrogen 2.838 N/A GLY 449.A N LEU 445.A O no hydrogen 2.966 N/A ILE 450.A N LEU 446.A O no hydrogen 2.930 N/A VAL 451.A N ALA 447.A O no hydrogen 2.901 N/A SER 453.A N ILE 450.A O no hydrogen 3.286 N/A SER 453.A OG LEU 487.A O no hydrogen 2.286 N/A GLU 458.A N ASN 457.A OD1 no hydrogen 2.852 N/A ASP 460.A N ASN 457.A O no hydrogen 3.025 N/A LEU 466.A N ALA 462.A O no hydrogen 2.920 N/A SER 467.A N LEU 463.A O no hydrogen 2.895 N/A SER 467.A OG LEU 463.A O no hydrogen 2.818 N/A TYR 469.A N ASP 468.A OD1 no hydrogen 2.826 N/A HIS 472.A ND1 ASP 468.A O no hydrogen 3.093 N/A SER 474.A N HIS 472.A O no hydrogen 2.865 N/A SER 474.A OG ASP 438.A OD1 no hydrogen 3.565 N/A SER 474.A OG THR 476.A OG1 no hydrogen 3.112 N/A THR 476.A OG1 ASP 438.A OD1 no hydrogen 2.337 N/A THR 476.A OG1 SER 474.A OG no hydrogen 3.112 N/A ARG 478.A N SER 474.A O no hydrogen 3.212 N/A ARG 478.A NH1 LYS 509.A O no hydrogen 2.484 N/A ARG 478.A NH2 SER 511.A OG no hydrogen 2.392 N/A LEU 479.A N ASN 475.A O no hydrogen 2.714 N/A GLY 480.A N THR 476.A O no hydrogen 3.336 N/A SER 481.A N MET 477.A O no hydrogen 2.982 N/A SER 481.A OG LEU 466.A O no hydrogen 2.220 N/A ILE 482.A N ARG 478.A O no hydrogen 2.862 N/A PHE 483.A N LEU 479.A O no hydrogen 2.914 N/A GLY 484.A N GLY 480.A O no hydrogen 2.932 N/A LEU 485.A N SER 481.A O no hydrogen 2.944 N/A GLY 486.A N ILE 482.A O no hydrogen 2.905 N/A LEU 487.A N PHE 483.A O no hydrogen 2.900 N/A ALA 488.A N GLY 484.A O no hydrogen 2.910 N/A TYR 489.A N GLY 486.A O no hydrogen 3.325 N/A ARG 494.A NH1 HIS 301.A NE2 no hydrogen 3.101 N/A VAL 497.A N ASP 496.A OD1 no hydrogen 2.691 N/A THR 499.A N GLU 495.A O no hydrogen 2.877 N/A THR 499.A OG1 GLU 495.A O no hydrogen 2.534 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.865 N/A LEU 500.A N ASP 496.A O no hydrogen 2.909 N/A LEU 501.A N VAL 497.A O no hydrogen 2.872 N/A LEU 502.A N LEU 498.A O no hydrogen 2.912 N/A VAL 504.A N LEU 501.A O no hydrogen 3.107 N/A ASP 507.A N VAL 504.A O no hydrogen 3.112 N/A LYS 509.A N ASP 507.A OD1 no hydrogen 3.225 N/A LYS 509.A NZ HIS 472.A O no hydrogen 2.594 N/A SER 510.A OG VAL 504.A O no hydrogen 2.840 N/A SER 510.A OG ASP 507.A O no hydrogen 2.789 N/A SER 511.A OG ASN 475.A OD1 no hydrogen 2.452 N/A ALA 515.A N SER 511.A O no hydrogen 2.823 N/A GLY 516.A N MET 512.A O no hydrogen 2.932 N/A VAL 517.A N GLU 513.A O no hydrogen 2.905 N/A THR 518.A N VAL 514.A O no hydrogen 2.870 N/A THR 518.A OG1 VAL 514.A O no hydrogen 2.629 N/A ALA 519.A N ALA 515.A O no hydrogen 2.894 N/A LEU 520.A N GLY 516.A O no hydrogen 2.902 N/A ALA 521.A N VAL 517.A O no hydrogen 2.857 N/A CYS 522.A N THR 518.A O no hydrogen 2.879 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.201 N/A GLY 523.A N ALA 519.A O no hydrogen 2.919 N/A MET 524.A N LEU 520.A O no hydrogen 2.913 N/A ILE 525.A N ALA 521.A O no hydrogen 2.868 N/A SER 529.A OG ASN 531.A OD1 no hydrogen 2.826 N/A SER 529.A OG HIS 566.A NE2 no hydrogen 3.214 N/A CYS 530.A SG ASP 533.A OD2 no hydrogen 3.315 N/A ASP 533.A N CYS 530.A O no hydrogen 3.026 N/A THR 535.A N ASN 531.A O no hydrogen 2.972 N/A THR 535.A OG1 ASN 531.A O no hydrogen 2.630 N/A THR 535.A OG1 GLY 532.A O no hydrogen 2.815 N/A SER 536.A N GLY 532.A O no hydrogen 2.895 N/A SER 536.A OG GLY 532.A O no hydrogen 2.548 N/A THR 537.A N ASP 533.A O no hydrogen 2.904 N/A THR 537.A OG1 ASP 533.A O no hydrogen 2.927 N/A THR 537.A OG1 VAL 534.A O no hydrogen 2.861 N/A ILE 538.A N VAL 534.A O no hydrogen 2.916 N/A LEU 539.A N THR 535.A O no hydrogen 2.903 N/A GLN 540.A N SER 536.A O no hydrogen 2.939 N/A THR 541.A N THR 537.A O no hydrogen 2.885 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.371 N/A ILE 542.A N ILE 538.A O no hydrogen 2.928 N/A MET 543.A N LEU 539.A O no hydrogen 3.252 N/A GLU 549.A N LYS 545.A O no hydrogen 2.827 N/A LEU 550.A N SER 546.A O no hydrogen 2.920 N/A THR 553.A OG1 ASP 552.A O no hydrogen 2.579 N/A TYR 554.A OH SER 789.A O no hydrogen 2.517 N/A TYR 554.A OH SER 789.A OG no hydrogen 3.098 N/A LEU 558.A N ALA 555.A O no hydrogen 3.040 N/A LEU 560.A N TRP 557.A O no hydrogen 3.318 N/A GLY 561.A N LEU 558.A O no hydrogen 3.119 N/A GLY 563.A N PRO 559.A O no hydrogen 2.441 N/A LEU 564.A N LEU 560.A O no hydrogen 2.876 N/A ASN 565.A ND2 CYS 530.A O no hydrogen 2.741 N/A HIS 566.A N GLY 563.A O no hydrogen 2.950 N/A HIS 566.A NE2 SER 529.A OG no hydrogen 3.214 N/A LYS 569.A NZ VAL 527.A O no hydrogen 3.024 N/A LYS 569.A NZ GLY 528.A O no hydrogen 2.965 N/A ALA 575.A N GLU 571.A O no hydrogen 2.900 N/A ALA 578.A N GLU 574.A O no hydrogen 2.904 N/A ALA 579.A N ALA 575.A O no hydrogen 2.906 N/A LEU 580.A N ILE 576.A O no hydrogen 2.890 N/A GLU 581.A N ALA 578.A O no hydrogen 3.435 N/A ARG 588.A N GLU 585.A O no hydrogen 2.842 N/A ARG 588.A NH1 SER 584.A O no hydrogen 2.560 N/A SER 589.A N PRO 586.A O no hydrogen 3.434 N/A SER 589.A OG PRO 586.A O no hydrogen 3.363 N/A PHE 590.A N PHE 587.A O no hydrogen 3.168 N/A ASN 592.A N ARG 588.A O no hydrogen 2.869 N/A ASN 592.A ND2 ALA 578.A O no hydrogen 3.497 N/A THR 593.A N SER 589.A O no hydrogen 2.947 N/A THR 593.A OG1 SER 589.A O no hydrogen 2.927 N/A THR 593.A OG1 PHE 590.A O no hydrogen 3.127 N/A THR 593.A OG1 ASP 628.A OD1 no hydrogen 3.288 N/A LEU 594.A N PHE 590.A O no hydrogen 2.910 N/A VAL 595.A N ALA 591.A O no hydrogen 2.920 N/A ASP 596.A N ASN 592.A O no hydrogen 2.933 N/A VAL 597.A N THR 593.A O no hydrogen 2.898 N/A CYS 598.A N LEU 594.A O no hydrogen 2.874 N/A CYS 598.A SG LEU 594.A O no hydrogen 3.313 N/A ALA 599.A N VAL 595.A O no hydrogen 2.929 N/A TYR 600.A N VAL 597.A O no hydrogen 2.978 N/A TYR 600.A OH GLU 571.A OE1 no hydrogen 3.378 N/A LYS 608.A NZ TYR 600.A OH no hydrogen 2.820 N/A GLN 610.A N VAL 606.A O no hydrogen 2.883 N/A GLN 610.A NE2 HIS 614.A ND1 no hydrogen 3.370 N/A GLN 611.A N LEU 607.A O no hydrogen 2.886 N/A LEU 612.A N LYS 608.A O no hydrogen 2.921 N/A LEU 613.A N VAL 609.A O no hydrogen 2.907 N/A HIS 614.A N GLN 610.A O no hydrogen 2.893 N/A ILE 615.A N GLN 611.A O no hydrogen 2.910 N/A CYS 616.A N GLN 611.A O no hydrogen 3.315 N/A SER 617.A OG LEU 613.A O no hydrogen 2.364 N/A SER 617.A OG HIS 614.A O no hydrogen 3.358 N/A GLU 618.A N HIS 614.A O no hydrogen 3.323 N/A PHE 620.A N SER 617.A O no hydrogen 3.260 N/A ASP 621.A N SER 617.A O no hydrogen 2.889 N/A SER 622.A N ASP 621.A OD1 no hydrogen 2.695 N/A LYS 623.A N PHE 620.A O no hydrogen 3.340 N/A LYS 625.A NZ GLU 626.A O no hydrogen 2.619 N/A LYS 631.A NZ PHE 590.A O no hydrogen 3.100 N/A LYS 631.A NZ THR 593.A OG1 no hydrogen 2.351 N/A LYS 634.A N ASP 630.A O no hydrogen 3.334 N/A LYS 635.A N LYS 631.A O no hydrogen 2.886 N/A LYS 639.A N ALA 601.A O no hydrogen 2.648 N/A LYS 640.A N LYS 637.A O no hydrogen 3.046 N/A LYS 640.A NZ ALA 648.A O no hydrogen 3.179 N/A MET 646.A N PRO 643.A O no hydrogen 3.288 N/A GLY 651.A N GLY 647.A O no hydrogen 2.895 N/A VAL 652.A N ALA 648.A O no hydrogen 3.003 N/A VAL 654.A N GLN 650.A O no hydrogen 2.939 N/A LEU 655.A N GLY 651.A O no hydrogen 2.902 N/A GLY 656.A N VAL 652.A O no hydrogen 2.949 N/A ILE 657.A N ALA 653.A O no hydrogen 2.954 N/A ALA 658.A N LEU 655.A O no hydrogen 3.270 N/A LEU 659.A N LEU 655.A O no hydrogen 2.904 N/A GLU 665.A N GLU 665.A OE1 no hydrogen 2.605 N/A ILE 666.A N GLU 664.A OE1 no hydrogen 2.654 N/A GLY 667.A N GLU 664.A OE1 no hydrogen 2.367 N/A ALA 668.A N GLU 664.A OE1 no hydrogen 3.438 N/A LEU 672.A N MET 670.A O no hydrogen 2.789 N/A THR 674.A OG1 GLU 633.A O no hydrogen 2.992 N/A PHE 675.A N LEU 672.A O no hydrogen 3.269 N/A HIS 677.A N ARG 673.A O no hydrogen 2.930 N/A LEU 678.A N THR 674.A O no hydrogen 2.926 N/A LEU 679.A N PHE 675.A O no hydrogen 3.334 N/A ARG 680.A NE PHE 760.A O no hydrogen 3.367 N/A THR 685.A OG1 PRO 684.A O no hydrogen 2.736 N/A LEU 686.A N GLU 683.A OE1 no hydrogen 2.911 N/A ARG 687.A N GLU 683.A OE1 no hydrogen 2.446 N/A ARG 687.A NH2 HIS 649.A ND1 no hydrogen 3.019 N/A ARG 688.A NH1 ASN 724.A OD1 no hydrogen 3.457 N/A LEU 692.A N ARG 688.A O no hydrogen 3.278 N/A ALA 693.A N ALA 689.A O no hydrogen 2.895 N/A LEU 696.A N ALA 693.A O no hydrogen 3.326 N/A SER 698.A N ALA 695.A O no hydrogen 3.239 N/A SER 698.A OG ALA 695.A O no hydrogen 2.356 N/A SER 698.A OG ASN 705.A OD1 no hydrogen 2.805 N/A ARG 703.A N ASN 701.A OD1 no hydrogen 3.018 N/A ASN 705.A N ASN 701.A O no hydrogen 3.413 N/A ASN 705.A ND2 SER 698.A O no hydrogen 2.480 N/A ILE 706.A N PRO 702.A O no hydrogen 2.904 N/A LEU 707.A N ARG 703.A O no hydrogen 2.908 N/A ASP 708.A N LEU 704.A O no hydrogen 2.932 N/A THR 709.A OG1 ILE 706.A O no hydrogen 3.002 N/A SER 711.A N LEU 707.A O no hydrogen 2.977 N/A SER 711.A OG LEU 672.A O no hydrogen 2.660 N/A LYS 712.A N ASP 708.A O no hydrogen 2.799 N/A PHE 713.A N THR 709.A O no hydrogen 2.981 N/A SER 714.A N LEU 710.A O no hydrogen 2.864 N/A SER 714.A OG LEU 710.A O no hydrogen 3.280 N/A SER 714.A OG SER 711.A O no hydrogen 3.002 N/A HIS 715.A N SER 711.A O no hydrogen 2.976 N/A ASP 716.A N PHE 713.A O no hydrogen 3.027 N/A MET 729.A N SER 725.A O no hydrogen 2.959 N/A GLY 730.A N ILE 726.A O no hydrogen 2.876 N/A MET 731.A N PHE 727.A O no hydrogen 2.924 N/A SER 734.A N MET 731.A O no hydrogen 2.992 N/A SER 734.A OG GLY 730.A O no hydrogen 2.610 N/A THR 736.A OG1 THR 736.A O no hydrogen 2.524 N/A ALA 743.A N ALA 739.A O no hydrogen 3.092 N/A MET 744.A N ARG 740.A O no hydrogen 2.931 N/A LEU 745.A N LEU 741.A O no hydrogen 2.924 N/A ARG 746.A N ALA 742.A O no hydrogen 2.952 N/A ARG 746.A NH1 GLN 747.A OE1 no hydrogen 2.897 N/A GLN 747.A N ALA 743.A O no hydrogen 2.964 N/A LEU 748.A N MET 744.A O no hydrogen 2.894 N/A ALA 749.A N LEU 745.A O no hydrogen 2.850 N/A GLN 750.A N ARG 746.A O no hydrogen 2.940 N/A HIS 752.A N LEU 748.A O no hydrogen 2.966 N/A HIS 752.A N ALA 749.A O no hydrogen 2.859 N/A LYS 754.A NZ VAL 721.A O no hydrogen 3.506 N/A LEU 759.A N ASN 758.A OD1 no hydrogen 2.626 N/A ARG 763.A NH2 GLU 641.A OE2 no hydrogen 3.444 N/A LEU 764.A N THR 769.A O no hydrogen 2.903 N/A GLN 766.A N GLN 766.A OE1 no hydrogen 2.648 N/A GLN 766.A NE2 THR 769.A OG1 no hydrogen 2.871 N/A GLY 767.A N LEU 764.A O no hydrogen 2.906 N/A LYS 773.A NZ ASP 805.A O no hydrogen 2.973 N/A THR 775.A N LEU 771.A O no hydrogen 3.102 N/A LEU 776.A N LYS 773.A O no hydrogen 3.441 N/A THR 777.A N GLY 774.A O no hydrogen 3.442 N/A CYS 779.A SG LEU 776.A O no hydrogen 3.301 N/A TYR 781.A N LEU 778.A O no hydrogen 3.065 N/A HIS 782.A N LEU 778.A O no hydrogen 3.381 N/A SER 783.A N CYS 779.A O no hydrogen 2.965 N/A SER 783.A OG CYS 779.A O no hydrogen 2.440 N/A ARG 785.A NH1 ARG 785.A O no hydrogen 3.131 N/A ARG 785.A NH2 ASP 630.A OD2 no hydrogen 2.382 N/A SER 789.A OG TYR 554.A OH no hydrogen 3.098 N/A SER 789.A OG SER 789.A O no hydrogen 2.437 N/A GLN 790.A NE2 THR 553.A O no hydrogen 3.114 N/A VAL 791.A N LEU 787.A O no hydrogen 3.203 N/A VAL 793.A N LEU 787.A O no hydrogen 3.154 N/A GLY 795.A N VAL 793.A O no hydrogen 2.586 N/A VAL 801.A N THR 798.A O no hydrogen 3.263 N/A SER 802.A N VAL 799.A O no hydrogen 3.047 N/A SER 802.A OG VAL 799.A O no hydrogen 2.413 N/A LEU 804.A N VAL 801.A O no hydrogen 3.504 N/A LEU 811.A N GLY 854.A O no hydrogen 2.477 N/A GLY 812.A N GLU 878.A O no hydrogen 3.167 N/A LYS 813.A NZ TYR 819.A OH no hydrogen 2.787 N/A LYS 813.A NZ ASP 851.A O no hydrogen 2.956 N/A TYR 816.A OH THR 283.A OG1 no hydrogen 3.385 N/A GLY 820.A N LEU 818.A O no hydrogen 2.912 N/A VAL 831.A N VAL 842.A O no hydrogen 3.011 N/A GLU 835.A N ASP 834.A OD1 no hydrogen 2.792 N/A SER 843.A OG ARG 845.A O no hydrogen 2.869 N/A VAL 844.A N MET 829.A O no hydrogen 3.179 N/A GLN 855.A N GLN 855.A OE1 no hydrogen 2.679 N/A LYS 860.A N LYS 858.A O no hydrogen 3.087 N/A LYS 860.A NZ PRO 859.A O no hydrogen 2.731 N/A ILE 862.A N THR 861.A OG1 no hydrogen 2.511 N/A THR 863.A OG1 HIS 876.A NE2 no hydrogen 3.179 N/A THR 867.A OG1 GLN 866.A O no hydrogen 2.610 N/A HIS 876.A NE2 THR 863.A OG1 no hydrogen 3.179 N/A