Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wpl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 15.A ND2 GLU 19.A OE2 no hydrogen 2.724 N/A THR 16.A OG1 ASN 18.A OD1 no hydrogen 2.353 N/A ASN 18.A ND2 ASP 45.A O no hydrogen 3.158 N/A ASN 18.A ND2 ASP 45.A OD2 no hydrogen 3.017 N/A LEU 21.A N LEU 17.A O no hydrogen 2.908 N/A PHE 22.A N ASN 18.A O no hydrogen 2.882 N/A LEU 23.A N GLU 19.A O no hydrogen 2.930 N/A LEU 24.A N LYS 20.A O no hydrogen 2.883 N/A ALA 25.A N LEU 21.A O no hydrogen 2.895 N/A CYS 26.A N PHE 22.A O no hydrogen 2.912 N/A CYS 26.A SG PHE 22.A O no hydrogen 3.334 N/A LYS 28.A NZ ASP 27.A OD1 no hydrogen 3.543 N/A ASP 30.A N ALA 25.A O no hydrogen 3.281 N/A VAL 34.A N ASP 30.A O no hydrogen 2.987 N/A LYS 35.A N TYR 31.A O no hydrogen 2.906 N/A LYS 36.A N TYR 32.A O no hydrogen 2.936 N/A ILE 37.A N MET 33.A O no hydrogen 2.856 N/A LEU 38.A N VAL 34.A O no hydrogen 2.869 N/A GLU 39.A N LYS 35.A O no hydrogen 2.883 N/A GLU 40.A N LYS 36.A O no hydrogen 2.946 N/A ASN 41.A N ILE 37.A O no hydrogen 2.819 N/A SER 42.A N LEU 38.A O no hydrogen 2.890 N/A SER 42.A OG GLU 39.A O no hydrogen 2.343 N/A SER 43.A N GLU 39.A O no hydrogen 2.919 N/A SER 43.A OG GLU 39.A O no hydrogen 2.987 N/A GLY 44.A N GLU 40.A O no hydrogen 2.654 N/A ASP 45.A N GLU 40.A O no hydrogen 3.109 N/A ASN 47.A N ASN 47.A OD1 no hydrogen 2.581 N/A CYS 50.A SG ILE 48.A O no hydrogen 3.690 N/A GLY 55.A N ASP 52.A O no hydrogen 3.303 N/A ARG 56.A N ASP 52.A OD1 no hydrogen 2.529 N/A ARG 56.A NH1 THR 60.A O no hydrogen 3.077 N/A ARG 56.A NH2 GLU 64.A OE1 no hydrogen 2.922 N/A ILE 61.A N ASN 57.A O no hydrogen 2.904 N/A THR 62.A N ALA 58.A O no hydrogen 2.925 N/A ILE 63.A N VAL 59.A O no hydrogen 2.886 N/A GLU 64.A N THR 60.A O no hydrogen 2.922 N/A ASN 65.A N ILE 61.A O no hydrogen 3.029 N/A GLU 66.A N ILE 63.A O no hydrogen 2.969 N/A ASN 67.A N THR 62.A O no hydrogen 3.264 N/A GLN 72.A N LEU 68.A O no hydrogen 2.879 N/A LEU 73.A N ASP 69.A O no hydrogen 2.931 N/A LEU 74.A N ILE 70.A O no hydrogen 2.878 N/A LEU 75.A N LEU 71.A O no hydrogen 2.895 N/A ASP 76.A N GLN 72.A O no hydrogen 2.903 N/A TYR 77.A N LEU 74.A O no hydrogen 3.284 N/A GLY 78.A N LEU 75.A O no hydrogen 3.402 N/A CYS 79.A SG LEU 74.A O no hydrogen 3.285 N/A ALA 88.A N ALA 84.A O no hydrogen 2.917 N/A ILE 89.A N LEU 85.A O no hydrogen 2.876 N/A ASP 90.A N LEU 86.A O no hydrogen 2.914 N/A SER 91.A N VAL 87.A O no hydrogen 3.119 N/A SER 91.A OG GLU 66.A OE1 no hydrogen 2.827 N/A SER 91.A OG GLU 66.A OE2 no hydrogen 3.531 N/A SER 91.A OG ALA 88.A O no hydrogen 3.366 N/A GLU 92.A N ILE 89.A O no hydrogen 3.049 N/A ASP 98.A N VAL 94.A O no hydrogen 2.929 N/A ILE 99.A N GLY 95.A O no hydrogen 2.901 N/A LEU 100.A N ALA 96.A O no hydrogen 2.915 N/A LEU 100.A N VAL 97.A O no hydrogen 3.229 N/A LEU 101.A N VAL 97.A O no hydrogen 3.112 N/A VAL 108.A N THR 105.A O no hydrogen 3.348 N/A LEU 113.A N ALA 109.A O no hydrogen 2.882 N/A ALA 114.A N PRO 110.A O no hydrogen 2.905 N/A ALA 115.A N VAL 111.A O no hydrogen 2.920 N/A HIS 116.A N ILE 112.A O no hydrogen 2.887 N/A HIS 116.A NE2 ASP 163.A O no hydrogen 2.987 N/A ARG 117.A N LEU 113.A O no hydrogen 2.948 N/A ASN 118.A N ALA 115.A O no hydrogen 3.280 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.474 N/A LEU 123.A N ASN 119.A O no hydrogen 3.064 N/A THR 124.A N TYR 120.A O no hydrogen 2.862 N/A MET 125.A N GLU 121.A O no hydrogen 2.959 N/A LEU 126.A N ILE 122.A O no hydrogen 2.891 N/A LEU 127.A N LEU 123.A O no hydrogen 2.884 N/A LYS 135.A NZ PRO 136.A O no hydrogen 3.106 N/A CYS 141.A N ALA 138.A O no hydrogen 3.290 N/A CYS 141.A SG HIS 137.A ND1 no hydrogen 3.247 N/A CYS 146.A SG HIS 137.A ND1 no hydrogen 3.058 N/A CYS 146.A SG CYS 141.A O no hydrogen 3.891 N/A SER 147.A N CYS 143.A O no hydrogen 2.971 N/A SER 147.A OG GLU 142.A OE2 no hydrogen 3.243 N/A SER 147.A OG CYS 143.A O no hydrogen 2.684 N/A LYS 151.A N ASN 150.A OD1 no hydrogen 2.666 N/A LYS 152.A N ALA 148.A O no hydrogen 3.432 N/A ASP 153.A N LYS 149.A O no hydrogen 2.915 N/A SER 154.A OG ASN 150.A O no hydrogen 2.580 N/A HIS 157.A N ASP 153.A O no hydrogen 2.936 N/A SER 158.A N SER 154.A O no hydrogen 2.908 N/A SER 158.A OG SER 154.A O no hydrogen 2.776 N/A ARG 159.A N LEU 155.A O no hydrogen 2.935 N/A PHE 160.A N ARG 156.A O no hydrogen 2.853 N/A ARG 161.A N HIS 157.A O no hydrogen 2.963 N/A LEU 162.A N SER 158.A O no hydrogen 2.933 N/A ASP 163.A N ARG 159.A O no hydrogen 2.874 N/A ILE 164.A N PHE 160.A O no hydrogen 2.926 N/A TYR 165.A N ARG 161.A O no hydrogen 2.952 N/A ARG 166.A N LEU 162.A O no hydrogen 2.847 N/A ARG 166.A NH1 GLU 208.A OE2 no hydrogen 3.361 N/A ARG 166.A NH2 ASP 205.A OD2 no hydrogen 3.222 N/A CYS 167.A N ASP 163.A O no hydrogen 2.908 N/A LEU 168.A N ILE 164.A O no hydrogen 2.929 N/A ALA 169.A N TYR 165.A O no hydrogen 3.070 N/A SER 170.A N CYS 167.A O no hydrogen 3.438 N/A SER 170.A OG CYS 167.A O no hydrogen 2.651 N/A ILE 174.A N SER 170.A O no hydrogen 3.367 N/A MET 175.A N PRO 171.A O no hydrogen 2.955 N/A LEU 176.A N ALA 172.A O no hydrogen 2.930 N/A THR 177.A N LEU 173.A O no hydrogen 3.078 N/A ARG 184.A N ASP 180.A O no hydrogen 3.070 N/A ARG 184.A NH2 GLU 178.A OE2 no hydrogen 3.502 N/A ALA 185.A N PRO 181.A O no hydrogen 2.901 N/A PHE 186.A N ILE 182.A O no hydrogen 2.950 N/A GLU 187.A N LEU 183.A O no hydrogen 2.930 N/A LEU 188.A N ARG 184.A O no hydrogen 2.854 N/A SER 189.A N ALA 185.A O no hydrogen 2.915 N/A SER 189.A OG PHE 186.A O no hydrogen 3.154 N/A ALA 190.A N PHE 186.A O no hydrogen 3.016 N/A ASP 191.A N GLU 187.A O no hydrogen 2.903 N/A LEU 192.A N LEU 188.A O no hydrogen 2.873 N/A LYS 193.A N SER 189.A O no hydrogen 2.935 N/A GLU 194.A N ALA 190.A O no hydrogen 2.983 N/A LEU 195.A N ASP 191.A O no hydrogen 2.882 N/A SER 196.A N LEU 192.A O no hydrogen 2.898 N/A SER 196.A OG LYS 193.A O no hydrogen 2.751 N/A LEU 197.A N LYS 193.A O no hydrogen 2.954 N/A VAL 198.A N GLU 194.A O no hydrogen 2.920 N/A GLU 199.A N LEU 195.A O no hydrogen 2.606 N/A TYR 206.A N PHE 202.A O no hydrogen 3.467 N/A GLU 207.A N ARG 203.A O no hydrogen 2.915 N/A GLU 208.A N ASN 204.A O no hydrogen 2.918 N/A LEU 209.A N ASP 205.A O no hydrogen 2.914 N/A ALA 210.A N TYR 206.A O no hydrogen 2.926 N/A ARG 211.A N GLU 207.A O no hydrogen 2.936 N/A GLN 212.A N GLU 208.A O no hydrogen 2.880 N/A GLN 212.A NE2 ALA 169.A O no hydrogen 2.552 N/A CYS 213.A N LEU 209.A O no hydrogen 2.936 N/A CYS 213.A SG ALA 169.A O no hydrogen 3.973 N/A CYS 213.A SG LEU 209.A O no hydrogen 3.658 N/A LYS 214.A N ALA 210.A O no hydrogen 2.961 N/A LYS 214.A NZ ASN 252.A O no hydrogen 3.502 N/A MET 215.A N ARG 211.A O no hydrogen 2.888 N/A PHE 216.A N GLN 212.A O no hydrogen 2.901 N/A ALA 217.A N CYS 213.A O no hydrogen 2.951 N/A LYS 218.A N LYS 214.A O no hydrogen 2.960 N/A LYS 218.A NZ GLN 259.A OE1 no hydrogen 2.719 N/A ASP 219.A N MET 215.A O no hydrogen 2.917 N/A LEU 220.A N PHE 216.A O no hydrogen 2.881 N/A LEU 221.A N ALA 217.A O no hydrogen 2.966 N/A ALA 222.A N LYS 218.A O no hydrogen 2.930 N/A GLN 223.A N LEU 220.A O no hydrogen 3.491 N/A GLN 223.A NE2 ASP 219.A O no hydrogen 3.200 N/A ALA 224.A N LEU 221.A O no hydrogen 3.281 N/A ARG 225.A N GLU 229.A OE2 no hydrogen 2.450 N/A GLU 231.A N SER 227.A O no hydrogen 2.916 N/A VAL 232.A N ARG 228.A O no hydrogen 2.935 N/A ILE 233.A N GLU 229.A O no hydrogen 2.930 N/A LEU 234.A N LEU 230.A O no hydrogen 2.930 N/A THR 237.A OG1 SER 239.A OG no hydrogen 3.214 N/A SER 239.A OG THR 237.A OG1 no hydrogen 3.214 N/A ARG 244.A NH1 ASP 180.A OD1 no hydrogen 3.346 N/A ARG 244.A NH1 ASP 180.A OD2 no hydrogen 2.485 N/A ARG 244.A NH2 ASP 180.A OD2 no hydrogen 3.015 N/A LYS 246.A N LEU 242.A O no hydrogen 3.003 N/A LYS 246.A NZ ASN 241.A O no hydrogen 2.898 N/A LEU 247.A N SER 243.A O no hydrogen 2.909 N/A ALA 248.A N ARG 244.A O no hydrogen 2.906 N/A ILE 249.A N LEU 245.A O no hydrogen 2.911 N/A LYS 250.A N LYS 246.A O no hydrogen 2.893 N/A TYR 251.A N LEU 247.A O no hydrogen 2.910 N/A ASN 252.A N ILE 249.A O no hydrogen 3.389 N/A GLN 253.A N ALA 248.A O no hydrogen 3.062 N/A GLN 253.A NE2 SER 189.A OG no hydrogen 2.583 N/A GLN 253.A NE2 TYR 251.A O no hydrogen 3.400 N/A LYS 254.A N ASN 252.A O no hydrogen 3.034 N/A LYS 254.A NZ GLU 587.A OE2 no hydrogen 3.076 N/A VAL 257.A N GLN 253.A O no hydrogen 3.133 N/A SER 258.A N LYS 254.A O no hydrogen 3.018 N/A SER 258.A OG SER 258.A O no hydrogen 2.376 N/A CYS 262.A SG VAL 257.A O no hydrogen 3.860 N/A GLN 263.A N GLN 259.A O no hydrogen 2.738 N/A GLN 264.A N SER 260.A O no hydrogen 2.892 N/A PHE 265.A N ASN 261.A O no hydrogen 2.947 N/A LEU 266.A N CYS 262.A O no hydrogen 2.878 N/A ASN 267.A N GLN 263.A O no hydrogen 2.891 N/A ASN 267.A ND2 GLN 263.A O no hydrogen 2.406 N/A THR 268.A N GLN 264.A O no hydrogen 2.945 N/A THR 268.A OG1 GLN 264.A O no hydrogen 3.262 N/A THR 268.A OG1 PHE 265.A O no hydrogen 2.590 N/A VAL 269.A N PHE 265.A O no hydrogen 2.960 N/A TRP 270.A N LEU 266.A O no hydrogen 2.837 N/A PHE 271.A N ASN 267.A O no hydrogen 2.938 N/A GLY 272.A N THR 268.A O no hydrogen 3.320 N/A MET 274.A N PHE 271.A O no hydrogen 3.323 N/A TYR 277.A N MET 274.A O no hydrogen 3.401 N/A TYR 277.A OH LYS 285.A O no hydrogen 3.342 N/A LYS 280.A N TYR 277.A O no hydrogen 3.270 N/A LYS 285.A N PRO 281.A O no hydrogen 3.081 N/A LYS 285.A NZ LYS 280.A O no hydrogen 3.051 N/A ILE 286.A N THR 282.A O no hydrogen 2.967 N/A MET 287.A N CYS 283.A O no hydrogen 2.918 N/A THR 288.A N LYS 284.A O no hydrogen 2.860 N/A THR 288.A OG1 LYS 284.A O no hydrogen 2.670 N/A VAL 289.A N LYS 285.A O no hydrogen 2.961 N/A LEU 290.A N ILE 286.A O no hydrogen 2.890 N/A THR 291.A N MET 287.A O no hydrogen 2.905 N/A THR 291.A OG1 MET 287.A O no hydrogen 2.770 N/A THR 291.A OG1 THR 288.A O no hydrogen 2.798 N/A VAL 292.A N THR 288.A O no hydrogen 2.952 N/A GLY 293.A N VAL 289.A O no hydrogen 2.901 N/A ILE 294.A N LEU 290.A O no hydrogen 2.902 N/A LEU 299.A N PHE 295.A O no hydrogen 3.145 N/A SER 300.A N TRP 296.A O no hydrogen 2.933 N/A LEU 301.A N PRO 297.A O no hydrogen 2.880 N/A CYS 302.A N VAL 298.A O no hydrogen 2.903 N/A TYR 303.A N LEU 299.A O no hydrogen 2.913 N/A TYR 303.A OH HIS 316.A NE2 no hydrogen 3.239 N/A LEU 304.A N SER 300.A O no hydrogen 2.919 N/A ILE 305.A N LEU 301.A O no hydrogen 2.908 N/A ALA 306.A N CYS 302.A O no hydrogen 3.076 N/A GLN 310.A N SER 309.A OG no hydrogen 2.406 N/A ARG 313.A N GLN 310.A O no hydrogen 3.073 N/A ARG 313.A NH1 GLN 273.A OE1 no hydrogen 3.252 N/A ARG 313.A NH2 GLN 310.A OE1 no hydrogen 3.292 N/A ILE 314.A N GLN 310.A O no hydrogen 3.354 N/A THR 317.A N ILE 314.A O no hydrogen 3.274 N/A LYS 321.A N THR 317.A O no hydrogen 2.749 N/A LYS 321.A NZ ASP 601.A O no hydrogen 3.089 N/A PHE 322.A N PRO 318.A O no hydrogen 2.886 N/A ILE 323.A N PHE 319.A O no hydrogen 2.955 N/A ILE 324.A N MET 320.A O no hydrogen 2.886 N/A HIS 325.A N LYS 321.A O no hydrogen 2.919 N/A GLY 326.A N PHE 322.A O no hydrogen 2.867 N/A ALA 327.A N ILE 323.A O no hydrogen 2.898 N/A SER 328.A N ILE 324.A O no hydrogen 2.882 N/A TYR 329.A N HIS 325.A O no hydrogen 2.935 N/A TYR 329.A OH SER 444.A O no hydrogen 2.895 N/A PHE 330.A N GLY 326.A O no hydrogen 2.870 N/A THR 331.A N ALA 327.A O no hydrogen 2.907 N/A PHE 332.A N SER 328.A O no hydrogen 2.977 N/A LEU 333.A N TYR 329.A O no hydrogen 2.927 N/A LEU 334.A N PHE 330.A O no hydrogen 2.866 N/A LEU 335.A N THR 331.A O no hydrogen 2.906 N/A LEU 336.A N PHE 332.A O no hydrogen 2.964 N/A ASN 337.A N LEU 333.A O no hydrogen 2.895 N/A LEU 338.A N LEU 334.A O no hydrogen 2.873 N/A TYR 339.A N LEU 335.A O no hydrogen 2.949 N/A VAL 342.A N LEU 338.A O no hydrogen 2.911 N/A TYR 343.A N TYR 339.A O no hydrogen 2.909 N/A GLU 345.A N TYR 343.A O no hydrogen 2.870 N/A GLU 356.A N ASP 359.A OD2 no hydrogen 3.414 N/A TYR 360.A N GLU 356.A O no hydrogen 3.227 N/A LEU 361.A N ARG 357.A O no hydrogen 2.943 N/A LEU 362.A N ILE 358.A O no hydrogen 2.867 N/A ILE 363.A N ASP 359.A O no hydrogen 2.906 N/A LEU 364.A N TYR 360.A O no hydrogen 3.018 N/A TRP 365.A N LEU 361.A O no hydrogen 2.888 N/A ILE 366.A N LEU 362.A O no hydrogen 2.918 N/A ILE 367.A N ILE 363.A O no hydrogen 2.947 N/A GLY 368.A N LEU 364.A O no hydrogen 2.975 N/A MET 369.A N TRP 365.A O no hydrogen 2.941 N/A ILE 370.A N ILE 366.A O no hydrogen 2.859 N/A TRP 371.A N ILE 367.A O no hydrogen 2.899 N/A SER 372.A N GLY 368.A O no hydrogen 2.953 N/A SER 372.A OG GLY 368.A O no hydrogen 2.940 N/A ASP 373.A N MET 369.A O no hydrogen 2.926 N/A ILE 374.A N ILE 370.A O no hydrogen 2.855 N/A LYS 375.A N TRP 371.A O no hydrogen 2.908 N/A ARG 376.A N SER 372.A O no hydrogen 2.938 N/A LEU 377.A N ASP 373.A O no hydrogen 2.897 N/A TRP 378.A N ILE 374.A O no hydrogen 2.906 N/A TYR 379.A N LYS 375.A O no hydrogen 2.912 N/A GLU 380.A N ARG 376.A O no hydrogen 3.222 N/A LEU 386.A N LEU 382.A O no hydrogen 3.100 N/A ARG 390.A N GLU 388.A OE1 no hydrogen 3.406 N/A ASN 391.A ND2 PHE 385.A O no hydrogen 3.496 N/A GLN 392.A N GLU 388.A O no hydrogen 3.445 N/A LEU 393.A N SER 389.A O no hydrogen 2.944 N/A SER 394.A N ARG 390.A O no hydrogen 2.860 N/A SER 394.A OG ARG 390.A O no hydrogen 2.966 N/A PHE 395.A N ASN 391.A O no hydrogen 2.893 N/A VAL 396.A N GLN 392.A O no hydrogen 2.955 N/A MET 397.A N LEU 393.A O no hydrogen 2.906 N/A ASN 398.A N SER 394.A O no hydrogen 2.871 N/A SER 399.A N PHE 395.A O no hydrogen 2.919 N/A LEU 400.A N VAL 396.A O no hydrogen 2.927 N/A TYR 401.A N MET 397.A O no hydrogen 2.901 N/A TYR 401.A OH ASN 441.A OD1 no hydrogen 3.137 N/A TYR 401.A OH SER 444.A OG no hydrogen 3.153 N/A LEU 402.A N ASN 398.A O no hydrogen 2.893 N/A ALA 403.A N SER 399.A O no hydrogen 2.945 N/A THR 404.A N LEU 400.A O no hydrogen 2.872 N/A THR 404.A OG1 LEU 400.A O no hydrogen 2.756 N/A THR 404.A OG1 ALA 433.A O no hydrogen 3.418 N/A PHE 405.A N TYR 401.A O no hydrogen 2.950 N/A ALA 406.A N LEU 402.A O no hydrogen 2.912 N/A LEU 407.A N ALA 403.A O no hydrogen 2.914 N/A LYS 408.A N THR 404.A O no hydrogen 2.882 N/A LYS 408.A NZ TYR 339.A OH no hydrogen 3.050 N/A VAL 409.A N PHE 405.A O no hydrogen 2.938 N/A VAL 410.A N ALA 406.A O no hydrogen 2.938 N/A ALA 411.A N LEU 407.A O no hydrogen 2.887 N/A HIS 412.A N LYS 408.A O no hydrogen 2.908 N/A ASN 413.A N VAL 409.A O no hydrogen 2.926 N/A LYS 414.A N VAL 410.A O no hydrogen 2.902 N/A PHE 415.A N ALA 411.A O no hydrogen 2.805 N/A HIS 416.A ND1 HIS 412.A O no hydrogen 3.306 N/A ARG 421.A NH1 LYS 348.A O no hydrogen 2.388 N/A ARG 421.A NH2 GLU 434.A OE2 no hydrogen 2.979 N/A LYS 422.A N ASP 420.A OD1 no hydrogen 2.997 N/A ASP 423.A N ASP 420.A O no hydrogen 3.437 N/A TRP 424.A N ARG 421.A O no hydrogen 3.514 N/A THR 430.A N HIS 428.A ND1 no hydrogen 3.048 N/A THR 430.A OG1 MET 351.A O no hydrogen 2.487 N/A VAL 432.A N HIS 428.A O no hydrogen 3.180 N/A ALA 433.A N PRO 429.A O no hydrogen 2.909 N/A GLU 434.A N THR 430.A O no hydrogen 2.940 N/A GLY 435.A N LEU 431.A O no hydrogen 2.925 N/A LEU 436.A N VAL 432.A O no hydrogen 2.940 N/A PHE 437.A N ALA 433.A O no hydrogen 2.867 N/A ALA 438.A N GLU 434.A O no hydrogen 2.904 N/A PHE 439.A N GLY 435.A O no hydrogen 3.004 N/A ALA 440.A N LEU 436.A O no hydrogen 2.876 N/A ASN 441.A N PHE 437.A O no hydrogen 2.871 N/A VAL 442.A N ALA 438.A O no hydrogen 2.968 N/A LEU 443.A N PHE 439.A O no hydrogen 2.981 N/A SER 444.A N ALA 440.A O no hydrogen 2.833 N/A SER 444.A OG TYR 401.A OH no hydrogen 3.153 N/A SER 444.A OG ALA 440.A O no hydrogen 2.380 N/A TYR 445.A N ASN 441.A O no hydrogen 2.986 N/A TYR 445.A OH LEU 333.A O no hydrogen 3.102 N/A LEU 446.A N VAL 442.A O no hydrogen 2.907 N/A ARG 447.A N LEU 443.A O no hydrogen 2.901 N/A ARG 447.A NH1 SER 394.A OG no hydrogen 2.968 N/A PHE 449.A N LEU 446.A O no hydrogen 3.306 N/A TYR 452.A N PHE 449.A O no hydrogen 3.201 N/A SER 455.A N TYR 452.A O no hydrogen 3.166 N/A GLN 462.A N LEU 458.A O no hydrogen 3.447 N/A ILE 463.A N GLY 459.A O no hydrogen 2.964 N/A SER 464.A N PRO 460.A O no hydrogen 2.885 N/A SER 464.A OG PRO 460.A O no hydrogen 3.287 N/A SER 464.A OG LEU 461.A O no hydrogen 2.470 N/A MET 465.A N LEU 461.A O no hydrogen 2.963 N/A GLY 466.A N GLN 462.A O no hydrogen 2.953 N/A GLN 467.A N ILE 463.A O no hydrogen 2.890 N/A MET 468.A N SER 464.A O no hydrogen 2.916 N/A ASP 471.A N MET 468.A O no hydrogen 3.212 N/A GLY 473.A N LEU 469.A O no hydrogen 3.025 N/A LYS 474.A N GLN 470.A O no hydrogen 2.948 N/A PHE 475.A N ASP 471.A O no hydrogen 2.963 N/A LEU 476.A N PHE 472.A O no hydrogen 2.788 N/A GLY 477.A N GLY 473.A O no hydrogen 3.118 N/A PHE 479.A N PHE 475.A O no hydrogen 2.988 N/A LEU 480.A N LEU 476.A O no hydrogen 2.874 N/A LEU 481.A N GLY 477.A O no hydrogen 3.039 N/A VAL 482.A N MET 478.A O no hydrogen 3.021 N/A LEU 483.A N PHE 479.A O no hydrogen 2.876 N/A PHE 484.A N LEU 480.A O no hydrogen 2.903 N/A SER 485.A N LEU 481.A O no hydrogen 2.987 N/A SER 485.A OG VAL 482.A O no hydrogen 2.598 N/A PHE 486.A N VAL 482.A O no hydrogen 3.015 N/A THR 487.A N LEU 483.A O no hydrogen 2.863 N/A THR 487.A OG1 LEU 483.A O no hydrogen 2.663 N/A ILE 488.A N PHE 484.A O no hydrogen 2.955 N/A GLY 489.A N SER 485.A O no hydrogen 3.037 N/A LEU 490.A N PHE 486.A O no hydrogen 2.943 N/A THR 491.A N THR 487.A O no hydrogen 2.908 N/A THR 491.A OG1 THR 487.A O no hydrogen 3.245 N/A THR 491.A OG1 SER 514.A O no hydrogen 3.225 N/A THR 491.A OG1 THR 518.A OG1 no hydrogen 2.668 N/A GLN 492.A N ILE 488.A O no hydrogen 2.919 N/A LEU 493.A N GLY 489.A O no hydrogen 2.974 N/A TYR 494.A N LEU 490.A O no hydrogen 2.915 N/A TYR 494.A OH THR 537.A O no hydrogen 2.452 N/A LYS 496.A NZ ASP 495.A OD1 no hydrogen 3.495 N/A LYS 496.A NZ ASP 495.A OD2 no hydrogen 2.386 N/A CYS 499.A SG PHE 503.A O no hydrogen 3.296 N/A CYS 504.A SG GLY 501.A O no hydrogen 3.707 N/A GLN 507.A NE2 ILE 502.A O no hydrogen 3.099 N/A GLN 507.A NE2 HIS 531.A O no hydrogen 3.010 N/A THR 511.A OG1 GLY 517.A O no hydrogen 3.428 N/A PHE 512.A N ASN 509.A O no hydrogen 3.330 N/A HIS 513.A N ASP 510.A O no hydrogen 3.447 N/A THR 518.A N SER 514.A O no hydrogen 2.885 N/A THR 518.A OG1 THR 491.A OG1 no hydrogen 2.668 N/A THR 518.A OG1 SER 514.A O no hydrogen 2.398 N/A CYS 519.A N PHE 515.A O no hydrogen 2.930 N/A CYS 519.A SG THR 487.A OG1 no hydrogen 3.581 N/A PHE 520.A N ILE 516.A O no hydrogen 2.914 N/A ALA 521.A N GLY 517.A O no hydrogen 2.876 N/A LEU 522.A N THR 518.A O no hydrogen 2.911 N/A PHE 523.A N CYS 519.A O no hydrogen 2.914 N/A PHE 523.A N PHE 520.A O no hydrogen 3.257 N/A TRP 524.A N PHE 520.A O no hydrogen 3.335 N/A SER 528.A OG PHE 527.A O no hydrogen 2.914 N/A ALA 533.A N GLN 507.A OE1 no hydrogen 3.184 N/A THR 537.A N ILE 534.A O no hydrogen 3.386 N/A THR 537.A OG1 ILE 534.A O no hydrogen 2.685 N/A ARG 538.A N PHE 535.A O no hydrogen 3.443 N/A ARG 538.A NH2 GLU 544.A OE1 no hydrogen 3.514 N/A SER 547.A N GLU 543.A O no hydrogen 3.087 N/A SER 547.A OG GLU 543.A O no hydrogen 3.276 N/A SER 547.A OG GLU 544.A O no hydrogen 3.068 N/A PHE 548.A N GLU 544.A O no hydrogen 2.902 N/A VAL 549.A N LEU 545.A O no hydrogen 2.880 N/A GLY 550.A N GLN 546.A O no hydrogen 2.911 N/A ALA 551.A N SER 547.A O no hydrogen 2.898 N/A VAL 552.A N PHE 548.A O no hydrogen 2.889 N/A ILE 553.A N VAL 549.A O no hydrogen 2.889 N/A VAL 554.A N GLY 550.A O no hydrogen 2.905 N/A GLY 555.A N ALA 551.A O no hydrogen 2.870 N/A THR 556.A N VAL 552.A O no hydrogen 2.871 N/A THR 556.A OG1 VAL 552.A O no hydrogen 2.662 N/A TYR 557.A N ILE 553.A O no hydrogen 2.912 N/A TYR 557.A OH LEU 522.A O no hydrogen 2.612 N/A ASN 558.A N VAL 554.A O no hydrogen 2.865 N/A VAL 559.A N GLY 555.A O no hydrogen 2.896 N/A VAL 560.A N THR 556.A O no hydrogen 2.923 N/A VAL 561.A N TYR 557.A O no hydrogen 2.904 N/A VAL 562.A N ASN 558.A O no hydrogen 2.857 N/A ILE 563.A N VAL 559.A O no hydrogen 2.930 N/A LEU 565.A N VAL 560.A O no hydrogen 3.001 N/A THR 566.A N VAL 561.A O no hydrogen 3.020 N/A THR 566.A OG1 VAL 561.A O no hydrogen 3.329 N/A THR 566.A OG1 VAL 562.A O no hydrogen 3.505 N/A LYS 567.A NZ VAL 562.A O no hydrogen 2.790 N/A LEU 568.A N VAL 564.A O no hydrogen 2.912 N/A LEU 569.A N LEU 565.A O no hydrogen 2.852 N/A VAL 570.A N THR 566.A O no hydrogen 2.932 N/A ALA 571.A N LYS 567.A O no hydrogen 2.945 N/A MET 572.A N LEU 568.A O no hydrogen 2.915 N/A LEU 573.A N LEU 569.A O no hydrogen 2.887 N/A HIS 574.A N VAL 570.A O no hydrogen 2.867 N/A LYS 575.A N ALA 571.A O no hydrogen 3.020 N/A SER 576.A N MET 572.A O no hydrogen 2.891 N/A PHE 577.A N LEU 573.A O no hydrogen 2.848 N/A GLN 578.A N HIS 574.A O no hydrogen 2.954 N/A LEU 579.A N LYS 575.A O no hydrogen 2.977 N/A ILE 580.A N SER 576.A O no hydrogen 2.861 N/A ALA 581.A N PHE 577.A O no hydrogen 3.026 N/A HIS 583.A N ILE 580.A O no hydrogen 3.137 N/A LYS 586.A NZ GLU 255.A OE2 no hydrogen 2.663 N/A GLU 587.A N HIS 583.A O no hydrogen 3.291 N/A TRP 588.A N GLU 584.A O no hydrogen 2.940 N/A TRP 588.A NE1 THR 453.A O no hydrogen 2.552 N/A LYS 589.A N ASP 585.A O no hydrogen 2.903 N/A PHE 590.A N LYS 586.A O no hydrogen 2.925 N/A ALA 591.A N GLU 587.A O no hydrogen 2.933 N/A ARG 592.A N TRP 588.A O no hydrogen 2.874 N/A ALA 593.A N LYS 589.A O no hydrogen 2.880 N/A LYS 594.A N PHE 590.A O no hydrogen 2.951 N/A LEU 595.A N ALA 591.A O no hydrogen 2.927 N/A TRP 596.A N ARG 592.A O no hydrogen 2.873 N/A LEU 597.A N ALA 593.A O no hydrogen 2.864 N/A SER 598.A N LYS 594.A O no hydrogen 2.953 N/A SER 598.A OG LEU 595.A O no hydrogen 2.574 N/A TYR 599.A N TRP 596.A O no hydrogen 2.960 N/A THR 605.A OG1 ASP 602.A O no hydrogen 2.934 N/A ASN 611.A ND2 GLY 368.A O no hydrogen 3.202 N/A LEU 614.A N ASN 613.A OD1 no hydrogen 2.849 N/A GLN 616.A N ARG 612.A O no hydrogen 3.215 N/A LYS 617.A N ASN 613.A O no hydrogen 2.917 N/A ARG 618.A N LEU 614.A O no hydrogen 2.898 N/A ASP 619.A N LYS 615.A O no hydrogen 2.902 N/A GLU 620.A N GLN 616.A O no hydrogen 2.903 N/A ASN 621.A N LYS 617.A O no hydrogen 2.927 N/A TYR 622.A N ARG 618.A O no hydrogen 2.898 N/A TYR 622.A OH ASP 180.A OD1 no hydrogen 2.393 N/A GLN 623.A N ASP 619.A O no hydrogen 2.879 N/A LYS 624.A N GLU 620.A O no hydrogen 2.948 N/A VAL 625.A N ASN 621.A O no hydrogen 2.968 N/A MET 626.A N TYR 622.A O no hydrogen 2.837 N/A CYS 627.A N GLN 623.A O no hydrogen 2.884 N/A CYS 627.A SG GLN 623.A O no hydrogen 3.256 N/A CYS 628.A N LYS 624.A O no hydrogen 3.000 N/A CYS 628.A SG LYS 624.A O no hydrogen 3.457 N/A LEU 629.A N VAL 625.A O no hydrogen 2.902 N/A VAL 630.A N MET 626.A O no hydrogen 2.851 N/A HIS 631.A N CYS 627.A O no hydrogen 2.956 N/A ARG 632.A N CYS 628.A O no hydrogen 2.958 N/A ARG 632.A NH1 GLN 223.A O no hydrogen 3.437 N/A ARG 632.A NH1 GLU 229.A OE1 no hydrogen 3.118 N/A ARG 632.A NH1 GLU 229.A OE2 no hydrogen 2.836 N/A TYR 633.A N LEU 629.A O no hydrogen 2.875 N/A LEU 634.A N VAL 630.A O no hydrogen 2.919 N/A THR 635.A N HIS 631.A O no hydrogen 3.031 N/A THR 635.A OG1 HIS 631.A O no hydrogen 3.238 N/A THR 635.A OG1 ARG 632.A O no hydrogen 2.946 N/A SER 636.A N ARG 632.A O no hydrogen 2.907 N/A SER 636.A OG TYR 633.A O no hydrogen 2.954 N/A MET 637.A N TYR 633.A O no hydrogen 2.880 N/A ARG 638.A N LEU 634.A O no hydrogen 2.949 N/A GLN 639.A N THR 635.A O no hydrogen 2.993 N/A LYS 640.A N SER 636.A O no hydrogen 2.918 N/A MET 641.A N MET 637.A O no hydrogen 2.923 N/A GLN 642.A N ARG 638.A O no hydrogen 2.952 N/A SER 643.A N LYS 640.A O no hydrogen 3.349 N/A SER 643.A OG GLN 639.A O no hydrogen 2.489 N/A SER 643.A OG GLN 639.A OE1 no hydrogen 2.876 N/A THR 644.A N LYS 640.A O no hydrogen 2.879 N/A THR 644.A OG1 LYS 640.A O no hydrogen 2.327 N/A THR 648.A N ASN 651.A OD1 no hydrogen 3.472 N/A ASN 653.A N VAL 649.A O no hydrogen 2.905 N/A GLU 654.A N GLU 650.A O no hydrogen 2.879 N/A LEU 655.A N ASN 651.A O no hydrogen 2.929 N/A ARG 656.A N LEU 652.A O no hydrogen 2.925 N/A GLN 657.A N ASN 653.A O no hydrogen 2.877 N/A ASP 658.A N GLU 654.A O no hydrogen 2.915 N/A LEU 659.A N LEU 655.A O no hydrogen 2.941 N/A SER 660.A N ARG 656.A O no hydrogen 2.897 N/A SER 660.A OG LYS 28.A O no hydrogen 3.237 N/A SER 660.A OG ARG 656.A O no hydrogen 2.624 N/A SER 660.A OG GLN 657.A O no hydrogen 2.861 N/A LYS 661.A N GLN 657.A O no hydrogen 2.894 N/A PHE 662.A N ASP 658.A O no hydrogen 2.958 N/A ARG 663.A N LEU 659.A O no hydrogen 2.894 N/A ASN 664.A N SER 660.A O no hydrogen 2.886 N/A GLU 665.A N LYS 661.A O no hydrogen 2.918 N/A ILE 666.A N PHE 662.A O no hydrogen 2.924 N/A ARG 667.A N ARG 663.A O no hydrogen 2.899 N/A ASP 668.A N ASN 664.A O no hydrogen 2.898 N/A LEU 669.A N GLU 665.A O no hydrogen 2.905 N/A LEU 670.A N ILE 666.A O no hydrogen 2.855 N/A