Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8phe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 5.A OE1 no hydrogen 3.237 N/A ALA 1.A N GLU 5.A OE2 no hydrogen 3.232 N/A ALA 3.A N GLU 341.A OE2 no hydrogen 3.359 N/A LYS 4.A NZ ASP 337.A OD2 no hydrogen 3.212 N/A LEU 6.A N PHE 2.A O no hydrogen 2.952 N/A PHE 7.A N LYS 4.A O no hydrogen 3.393 N/A LEU 8.A N GLU 5.A O no hydrogen 3.195 N/A GLY 9.A N LEU 6.A O no hydrogen 3.249 N/A LYS 10.A N GLU 5.A O no hydrogen 3.437 N/A LYS 12.A NZ ALA 1.A O no hydrogen 3.299 N/A SER 23.A OG ASP 25.A OD1 no hydrogen 2.337 N/A GLU 26.A N ASP 25.A OD1 no hydrogen 2.860 N/A LEU 27.A N SER 23.A O no hydrogen 3.196 N/A ASN 28.A N GLN 24.A O no hydrogen 2.904 N/A GLU 29.A N ASP 25.A O no hydrogen 2.899 N/A ILE 30.A N GLU 26.A O no hydrogen 2.913 N/A ASN 31.A N LEU 27.A O no hydrogen 2.917 N/A GLN 32.A N ASN 28.A O no hydrogen 2.872 N/A PHE 33.A N GLU 29.A O no hydrogen 2.926 N/A LEU 34.A N ILE 30.A O no hydrogen 2.885 N/A LYS 39.A N GLY 35.A O no hydrogen 2.857 N/A PHE 41.A N VAL 37.A O no hydrogen 2.923 N/A THR 42.A N GLU 38.A O no hydrogen 2.903 N/A THR 42.A OG1 GLU 38.A O no hydrogen 2.979 N/A THR 42.A OG1 LYS 39.A O no hydrogen 3.085 N/A GLU 43.A N LYS 39.A O no hydrogen 2.908 N/A GLU 44.A N PHE 40.A O no hydrogen 2.903 N/A SER 47.A OG MET 97.A O no hydrogen 3.107 N/A ILE 50.A N ASP 46.A O no hydrogen 3.071 N/A ASP 51.A N SER 47.A O no hydrogen 2.914 N/A GLN 52.A N ARG 48.A O no hydrogen 2.913 N/A GLU 53.A N LYS 49.A O no hydrogen 2.903 N/A GLY 54.A N ILE 50.A O no hydrogen 2.900 N/A GLU 59.A N ASP 58.A OD1 no hydrogen 3.067 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 3.098 N/A LEU 61.A N PRO 57.A O no hydrogen 3.103 N/A GLU 62.A N ASP 58.A O no hydrogen 2.886 N/A LYS 63.A N GLU 59.A O no hydrogen 2.925 N/A LEU 64.A N THR 60.A O no hydrogen 2.890 N/A LYS 65.A N LEU 61.A O no hydrogen 2.908 N/A LYS 65.A NZ GLY 135.A O no hydrogen 3.281 N/A SER 66.A N GLU 62.A O no hydrogen 2.901 N/A LEU 67.A N LYS 63.A O no hydrogen 2.907 N/A GLY 68.A N LYS 65.A O no hydrogen 3.129 N/A LEU 69.A N LEU 64.A O no hydrogen 3.394 N/A GLY 71.A N GLY 68.A O no hydrogen 3.454 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.666 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.826 N/A TYR 78.A N PRO 75.A O no hydrogen 2.938 N/A GLY 80.A N PRO 75.A O no hydrogen 3.324 N/A LEU 81.A N GLY 71.A O no hydrogen 3.034 N/A GLY 82.A N VAL 74.A O no hydrogen 2.672 N/A PHE 83.A N LEU 72.A O no hydrogen 2.997 N/A SER 84.A OG THR 86.A OG1 no hydrogen 3.414 N/A ASN 85.A N ASP 331.A OD1 no hydrogen 3.145 N/A THR 86.A OG1 SER 84.A OG no hydrogen 3.414 N/A THR 86.A OG1 ASP 331.A OD2 no hydrogen 3.318 N/A TYR 88.A N SER 84.A O no hydrogen 3.188 N/A SER 89.A OG ASN 85.A O no hydrogen 2.925 N/A GLY 92.A N TYR 88.A O no hydrogen 2.932 N/A ILE 95.A N LEU 91.A O no hydrogen 2.931 N/A SER 96.A N GLY 92.A O no hydrogen 2.904 N/A SER 96.A OG GLY 92.A O no hydrogen 3.522 N/A SER 96.A OG GLU 93.A O no hydrogen 2.601 N/A SER 96.A OG VAL 273.A O no hydrogen 3.132 N/A MET 97.A N ILE 94.A O no hydrogen 3.436 N/A THR 104.A OG1 SER 100.A O no hydrogen 3.079 N/A LEU 105.A N ILE 101.A O no hydrogen 2.874 N/A ALA 107.A N VAL 103.A O no hydrogen 3.016 N/A HIS 108.A N LEU 105.A O no hydrogen 3.168 N/A HIS 108.A NE2 PHE 70.A O no hydrogen 2.888 N/A GLN 109.A N LEU 105.A O no hydrogen 2.927 N/A GLN 109.A N ALA 106.A O no hydrogen 3.208 N/A GLN 109.A NE2 LEU 69.A O no hydrogen 2.415 N/A ALA 110.A N ALA 106.A O no hydrogen 2.630 N/A LEU 113.A N HIS 108.A O no hydrogen 3.058 N/A GLY 115.A N GLY 112.A O no hydrogen 3.345 N/A ILE 117.A N LEU 113.A O no hydrogen 3.213 N/A LEU 118.A N LYS 114.A O no hydrogen 2.905 N/A ALA 119.A N GLY 115.A O no hydrogen 2.907 N/A GLY 120.A N ILE 116.A O no hydrogen 2.847 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.869 N/A GLN 124.A N THR 121.A OG1 no hydrogen 3.350 N/A GLN 124.A NE2 GLU 246.A O no hydrogen 2.747 N/A GLN 124.A NE2 ILE 248.A O no hydrogen 3.242 N/A LYS 125.A N THR 121.A O no hydrogen 2.950 N/A LYS 125.A NZ ILE 117.A O no hydrogen 3.292 N/A LYS 127.A N GLN 124.A O no hydrogen 3.181 N/A TYR 128.A N GLN 124.A O no hydrogen 3.132 N/A TYR 128.A OH GLU 211.A OE2 no hydrogen 2.339 N/A LEU 129.A N LYS 125.A O no hydrogen 3.188 N/A LEU 132.A N TYR 128.A O no hydrogen 2.855 N/A ALA 133.A N LEU 129.A O no hydrogen 2.903 N/A SER 134.A OG PRO 130.A O no hydrogen 2.899 N/A HIS 137.A N LYS 131.A O no hydrogen 3.084 N/A ALA 139.A N HIS 108.A ND1 no hydrogen 3.088 N/A ALA 140.A N ILE 185.A O no hydrogen 2.976 N/A CYS 142.A N THR 187.A O no hydrogen 3.198 N/A THR 144.A OG1 VAL 175.A O no hydrogen 3.335 N/A ALA 153.A N ASP 151.A OD2 no hydrogen 2.851 N/A SER 154.A N ASP 151.A OD2 no hydrogen 2.920 N/A ARG 156.A N GLU 145.A OE2 no hydrogen 3.218 N/A ARG 156.A NH1 SER 154.A OG no hydrogen 3.306 N/A SER 157.A OG GLU 145.A OE2 no hydrogen 3.329 N/A ARG 158.A N ASN 171.A O no hydrogen 2.917 N/A THR 160.A N ILE 169.A O no hydrogen 2.906 N/A SER 162.A N HIS 167.A O no hydrogen 3.310 N/A SER 162.A OG ASP 164.A OD1 no hydrogen 2.351 N/A SER 162.A OG HIS 167.A O no hydrogen 3.295 N/A LYS 165.A N SER 162.A O no hydrogen 3.305 N/A LYS 166.A N SER 162.A OG no hydrogen 3.413 N/A LYS 166.A NZ ASP 164.A OD1 no hydrogen 3.515 N/A LYS 166.A NZ ASP 164.A OD2 no hydrogen 2.503 N/A TYR 168.A N ILE 243.A O no hydrogen 2.870 N/A ILE 169.A N THR 160.A O no hydrogen 2.882 N/A LEU 170.A N THR 241.A O no hydrogen 2.872 N/A ASN 171.A N ARG 158.A O no hydrogen 2.910 N/A ASN 171.A ND2 ASN 240.A OD1 no hydrogen 3.223 N/A GLY 172.A N PHE 238.A O no hydrogen 2.978 N/A SER 173.A OG HIS 237.A ND1 no hydrogen 2.733 N/A LYS 174.A N VAL 236.A O no hydrogen 2.745 N/A LYS 174.A NZ LEU 143.A O no hydrogen 3.489 N/A LYS 174.A NZ GLU 145.A OE2 no hydrogen 3.230 N/A LYS 174.A NZ PHE 189.A O no hydrogen 2.890 N/A VAL 175.A N THR 144.A O no hydrogen 3.314 N/A ILE 177.A N CYS 234.A O no hydrogen 2.918 N/A ASN 179.A ND2 THR 104.A O no hydrogen 3.145 N/A GLY 180.A N ASN 232.A O no hydrogen 3.244 N/A GLY 181.A N ASN 232.A OD1 no hydrogen 2.961 N/A LEU 182.A N ASN 179.A O no hydrogen 3.248 N/A ALA 183.A N ASN 179.A O no hydrogen 2.799 N/A ASN 184.A N ILE 138.A O no hydrogen 2.836 N/A ASN 184.A ND2 HIS 137.A ND1 no hydrogen 3.045 N/A ILE 185.A N ILE 138.A O no hydrogen 3.101 N/A PHE 186.A N VAL 210.A O no hydrogen 2.661 N/A THR 187.A N ALA 140.A O no hydrogen 3.033 N/A THR 187.A OG1 ALA 140.A O no hydrogen 3.005 N/A THR 187.A OG1 THR 187.A O no hydrogen 2.604 N/A VAL 188.A N PHE 208.A O no hydrogen 3.156 N/A PHE 189.A N CYS 142.A O no hydrogen 3.375 N/A ALA 190.A N THR 206.A O no hydrogen 2.934 N/A LYS 191.A N SER 157.A O no hydrogen 2.928 N/A THR 192.A N LYS 204.A O no hydrogen 2.905 N/A THR 192.A OG1 ALA 159.A O no hydrogen 2.939 N/A VAL 194.A N LYS 202.A O no hydrogen 2.964 N/A GLY 199.A N ASP 196.A O no hydrogen 2.901 N/A SER 200.A N ASP 198.A OD1 no hydrogen 3.275 N/A SER 200.A OG ASP 198.A OD2 no hydrogen 3.128 N/A LYS 202.A N SER 200.A OG no hydrogen 3.298 N/A LYS 204.A N THR 192.A O no hydrogen 2.902 N/A THR 206.A N ALA 190.A O no hydrogen 2.864 N/A PHE 208.A N VAL 188.A O no hydrogen 2.687 N/A ILE 209.A N ASN 247.A O no hydrogen 3.162 N/A VAL 210.A N PHE 186.A O no hydrogen 2.701 N/A ARG 212.A N ASN 184.A O no hydrogen 3.201 N/A ARG 212.A NE ALA 183.A O no hydrogen 3.104 N/A ARG 212.A NH2 GLY 180.A O no hydrogen 2.510 N/A ARG 212.A NH2 ALA 183.A O no hydrogen 3.184 N/A PHE 214.A N GLU 211.A O no hydrogen 3.066 N/A THR 218.A N HIS 237.A O no hydrogen 2.888 N/A ASN 219.A ND2 GLY 180.A O no hydrogen 2.555 N/A GLY 220.A N GLU 235.A O no hydrogen 3.226 N/A GLU 223.A N THR 233.A O no hydrogen 2.879 N/A ARG 229.A N GLY 227.A O no hydrogen 2.941 N/A GLY 230.A N SER 100.A OG no hydrogen 3.080 N/A CYS 234.A N ILE 177.A O no hydrogen 3.076 N/A CYS 234.A SG GLY 220.A O no hydrogen 3.230 N/A CYS 234.A SG ASN 232.A OD1 no hydrogen 3.106 N/A VAL 236.A N LYS 174.A O no hydrogen 2.982 N/A HIS 237.A N THR 218.A O no hydrogen 2.601 N/A HIS 237.A ND1 SER 173.A OG no hydrogen 2.733 N/A PHE 238.A N GLY 172.A O no hydrogen 3.133 N/A GLU 239.A N GLY 216.A O no hydrogen 2.753 N/A ASN 240.A N ASN 171.A OD1 no hydrogen 2.512 N/A THR 241.A N LEU 170.A O no hydrogen 2.950 N/A THR 241.A OG1 GLY 215.A O no hydrogen 3.322 N/A ILE 243.A N TYR 168.A O no hydrogen 2.908 N/A ASN 247.A N PRO 244.A O no hydrogen 2.922 N/A ASN 247.A ND2 ILE 209.A O no hydrogen 3.358 N/A ASN 247.A ND2 GLU 211.A OE2 no hydrogen 3.410 N/A LEU 249.A N ALA 207.A O no hydrogen 3.003 N/A GLY 253.A N THR 206.A OG1 no hydrogen 2.666 N/A ASP 254.A N GLU 251.A O no hydrogen 2.941 N/A ALA 259.A N GLY 255.A O no hydrogen 2.925 N/A MET 260.A N PHE 256.A O no hydrogen 2.908 N/A ASN 261.A N LYS 257.A O no hydrogen 2.929 N/A ILE 262.A N VAL 258.A O no hydrogen 2.939 N/A LEU 263.A N ALA 259.A O no hydrogen 2.924 N/A ASN 264.A N MET 260.A O no hydrogen 2.914 N/A SER 265.A N ASN 261.A O no hydrogen 2.937 N/A SER 265.A OG ASN 261.A O no hydrogen 2.752 N/A SER 272.A OG SER 89.A O no hydrogen 2.796 N/A SER 272.A OG SER 269.A O no hydrogen 3.371 N/A VAL 273.A N SER 269.A O no hydrogen 3.240 N/A VAL 274.A N MET 270.A O no hydrogen 3.052 N/A ALA 275.A N GLY 271.A O no hydrogen 3.051 N/A GLY 276.A N SER 272.A O no hydrogen 2.944 N/A LEU 277.A N VAL 274.A O no hydrogen 2.721 N/A LEU 278.A N VAL 274.A O no hydrogen 2.552 N/A LYS 279.A N ALA 275.A O no hydrogen 3.170 N/A LYS 279.A NZ GLU 320.A OE2 no hydrogen 2.666 N/A ARG 280.A NH1 GLU 93.A O no hydrogen 3.408 N/A ARG 280.A NH2 GLU 93.A O no hydrogen 3.308 N/A ARG 280.A NH2 SER 96.A OG no hydrogen 2.360 N/A LEU 281.A N LEU 277.A O no hydrogen 3.189 N/A ILE 282.A N LEU 278.A O no hydrogen 3.035 N/A GLU 283.A N ARG 280.A O no hydrogen 3.402 N/A MET 284.A N ARG 280.A O no hydrogen 3.374 N/A THR 285.A N LEU 281.A O no hydrogen 3.079 N/A THR 285.A OG1 LEU 281.A O no hydrogen 3.108 N/A GLU 287.A N GLU 283.A O no hydrogen 3.263 N/A TYR 288.A N MET 284.A O no hydrogen 2.956 N/A ALA 289.A N THR 285.A O no hydrogen 2.869 N/A CYS 290.A N ALA 286.A O no hydrogen 2.893 N/A CYS 290.A SG ALA 286.A O no hydrogen 3.215 N/A THR 291.A N GLU 287.A O no hydrogen 2.939 N/A THR 291.A OG1 GLU 287.A O no hydrogen 2.650 N/A GLN 294.A N LYS 297.A O no hydrogen 2.775 N/A LYS 297.A N GLN 294.A O no hydrogen 3.068 N/A LEU 299.A N ARG 292.A O no hydrogen 3.368 N/A SER 300.A N ALA 289.A O no hydrogen 3.110 N/A GLU 301.A N ARG 298.A O no hydrogen 3.205 N/A PHE 302.A N LEU 299.A O no hydrogen 3.403 N/A ILE 305.A N PHE 302.A O no hydrogen 3.183 N/A GLN 306.A N PHE 302.A O no hydrogen 3.129 N/A GLN 306.A NE2 SER 300.A O no hydrogen 2.985 N/A GLU 307.A N GLY 303.A O no hydrogen 2.921 N/A PHE 309.A N ILE 305.A O no hydrogen 2.981 N/A ALA 310.A N GLN 306.A O no hydrogen 2.911 N/A LEU 311.A N GLU 307.A O no hydrogen 2.889 N/A MET 312.A N LYS 308.A O no hydrogen 2.944 N/A ALA 313.A N PHE 309.A O no hydrogen 2.948 N/A GLN 314.A N ALA 310.A O no hydrogen 2.903 N/A GLN 314.A NE2 GLU 504.A OE1 no hydrogen 3.205 N/A LYS 315.A N LEU 311.A O no hydrogen 2.917 N/A ALA 316.A N MET 312.A O no hydrogen 2.946 N/A TYR 317.A N ALA 313.A O no hydrogen 2.905 N/A VAL 318.A N GLN 314.A O no hydrogen 2.974 N/A MET 319.A N LYS 315.A O no hydrogen 2.905 N/A GLU 320.A N ALA 316.A O no hydrogen 2.935 N/A SER 321.A N TYR 317.A O no hydrogen 2.962 N/A SER 321.A OG TYR 317.A O no hydrogen 2.814 N/A MET 322.A N VAL 318.A O no hydrogen 2.898 N/A THR 323.A N MET 319.A O no hydrogen 2.924 N/A THR 323.A OG1 MET 319.A O no hydrogen 2.989 N/A TYR 324.A N GLU 320.A O no hydrogen 2.962 N/A TYR 324.A OH GLU 93.A OE2 no hydrogen 3.197 N/A LEU 325.A N SER 321.A O no hydrogen 2.919 N/A THR 326.A N MET 322.A O no hydrogen 2.930 N/A THR 326.A OG1 MET 322.A O no hydrogen 2.883 N/A THR 326.A OG1 TYR 471.A OH no hydrogen 2.220 N/A ALA 327.A N THR 323.A O no hydrogen 2.897 N/A GLY 328.A N TYR 324.A O no hydrogen 2.885 N/A MET 329.A N LEU 325.A O no hydrogen 2.949 N/A LEU 330.A N THR 326.A O no hydrogen 2.973 N/A ASP 331.A N GLY 328.A O no hydrogen 3.416 N/A SER 339.A OG TYR 398.A OH no hydrogen 3.089 N/A GLU 341.A N GLU 341.A OE1 no hydrogen 2.936 N/A ALA 343.A N SER 339.A O no hydrogen 3.480 N/A MET 344.A N ILE 340.A O no hydrogen 2.924 N/A VAL 345.A N GLU 341.A O no hydrogen 2.901 N/A LYS 346.A N ALA 342.A O no hydrogen 2.916 N/A LYS 346.A NZ LEU 385.A O no hydrogen 3.075 N/A LYS 346.A NZ GLY 390.A O no hydrogen 2.613 N/A LYS 346.A NZ ASN 392.A OD1 no hydrogen 2.673 N/A VAL 347.A N ALA 343.A O no hydrogen 2.919 N/A PHE 348.A N MET 344.A O no hydrogen 2.949 N/A SER 349.A N VAL 345.A O no hydrogen 2.850 N/A SER 349.A OG VAL 345.A O no hydrogen 2.576 N/A SER 349.A OG LYS 346.A O no hydrogen 2.726 N/A SER 350.A N LYS 346.A O no hydrogen 2.914 N/A SER 350.A OG LYS 346.A O no hydrogen 3.141 N/A SER 350.A OG VAL 347.A O no hydrogen 2.883 N/A GLU 351.A N VAL 347.A O no hydrogen 3.010 N/A ALA 352.A N PHE 348.A O no hydrogen 2.928 N/A ALA 353.A N SER 349.A O no hydrogen 2.831 N/A TRP 354.A N SER 350.A O no hydrogen 2.987 N/A GLN 355.A N GLU 351.A O no hydrogen 3.011 N/A CYS 356.A N ALA 352.A O no hydrogen 2.860 N/A CYS 356.A SG ALA 352.A O no hydrogen 3.243 N/A VAL 357.A N ALA 353.A O no hydrogen 2.899 N/A SER 358.A N TRP 354.A O no hydrogen 3.010 N/A SER 358.A OG TRP 354.A O no hydrogen 2.888 N/A GLU 359.A N GLN 355.A O no hydrogen 2.943 N/A ALA 360.A N CYS 356.A O no hydrogen 2.857 N/A LEU 361.A N VAL 357.A O no hydrogen 2.946 N/A GLN 362.A N SER 358.A O no hydrogen 2.915 N/A ILE 363.A N GLU 359.A O no hydrogen 2.975 N/A ILE 363.A N ALA 360.A O no hydrogen 3.065 N/A GLY 365.A N GLN 362.A O no hydrogen 3.088 N/A THR 370.A OG1 LEU 367.A O no hydrogen 3.305 N/A ASP 372.A N THR 370.A OG1 no hydrogen 3.407 N/A LEU 379.A N TYR 375.A O no hydrogen 2.805 N/A ARG 380.A N GLU 376.A O no hydrogen 2.985 N/A ARG 380.A NH1 LEU 226.A O no hydrogen 2.920 N/A ARG 380.A NH2 ASP 51.A OD2 no hydrogen 2.285 N/A ARG 380.A NH2 GLU 376.A OE1 no hydrogen 3.250 N/A ASP 381.A N ARG 377.A O no hydrogen 2.952 N/A THR 382.A N ILE 378.A O no hydrogen 3.137 N/A THR 382.A OG1 ILE 378.A O no hydrogen 3.468 N/A LEU 386.A N ARG 383.A O no hydrogen 3.390 N/A ILE 387.A N ILE 384.A O no hydrogen 2.806 N/A PHE 388.A N ILE 384.A O no hydrogen 2.543 N/A ASN 392.A ND2 SER 350.A OG no hydrogen 2.438 N/A GLU 393.A N GLU 393.A OE1 no hydrogen 3.203 N/A LEU 395.A N THR 391.A O no hydrogen 3.110 N/A ARG 396.A N ASN 392.A O no hydrogen 3.407 N/A ARG 396.A NH1 ASN 465.A OD1 no hydrogen 2.552 N/A ARG 396.A NH2 GLU 351.A OE2 no hydrogen 2.543 N/A TYR 398.A N ILE 394.A O no hydrogen 2.920 N/A TYR 398.A OH SER 339.A OG no hydrogen 3.089 N/A ILE 399.A N LEU 395.A O no hydrogen 2.869 N/A ALA 400.A N ARG 396.A O no hydrogen 2.940 N/A LEU 401.A N MET 397.A O no hydrogen 2.882 N/A THR 402.A N TYR 398.A O no hydrogen 2.893 N/A THR 402.A OG1 TYR 398.A O no hydrogen 2.469 N/A GLY 403.A N ILE 399.A O no hydrogen 2.978 N/A LEU 404.A N ALA 400.A O no hydrogen 2.880 N/A GLN 405.A N LEU 401.A O no hydrogen 2.906 N/A ALA 407.A N GLY 403.A O no hydrogen 2.950 N/A GLY 408.A N LEU 404.A O no hydrogen 2.805 N/A ARG 409.A N GLN 405.A O no hydrogen 2.953 N/A ILE 410.A N HIS 406.A O no hydrogen 2.995 N/A LEU 411.A N ALA 407.A O no hydrogen 2.885 N/A THR 412.A N GLY 408.A O no hydrogen 2.883 N/A THR 412.A OG1 GLY 408.A O no hydrogen 2.845 N/A THR 412.A OG1 ARG 409.A O no hydrogen 2.757 N/A THR 413.A N ARG 409.A O no hydrogen 2.926 N/A THR 413.A OG1 ARG 409.A O no hydrogen 3.007 N/A ARG 414.A N ILE 410.A O no hydrogen 2.928 N/A ILE 415.A N LEU 411.A O no hydrogen 2.863 N/A HIS 416.A N THR 412.A O no hydrogen 2.920 N/A HIS 421.A ND1 SER 423.A OG no hydrogen 2.986 N/A SER 423.A N HIS 421.A ND1 no hydrogen 3.145 N/A SER 423.A OG HIS 421.A ND1 no hydrogen 2.986 N/A LEU 424.A N HIS 421.A O no hydrogen 2.782 N/A SER 427.A OG ASN 499.A OD1 no hydrogen 2.916 N/A PHE 431.A N SER 427.A O no hydrogen 3.258 N/A GLU 432.A N ALA 428.A O no hydrogen 2.919 N/A GLU 433.A N ASN 429.A O no hydrogen 2.922 N/A ASN 434.A N LYS 430.A O no hydrogen 2.902 N/A THR 435.A N PHE 431.A O no hydrogen 2.904 N/A THR 435.A OG1 PHE 431.A O no hydrogen 3.043 N/A TYR 436.A N GLU 432.A O no hydrogen 2.951 N/A CYS 437.A N GLU 433.A O no hydrogen 2.932 N/A CYS 437.A SG GLU 433.A O no hydrogen 3.544 N/A PHE 438.A N ASN 434.A O no hydrogen 2.847 N/A GLY 439.A N THR 435.A O no hydrogen 2.928 N/A ARG 440.A N TYR 436.A O no hydrogen 2.986 N/A THR 441.A N CYS 437.A O no hydrogen 2.880 N/A THR 441.A OG1 CYS 437.A O no hydrogen 2.949 N/A VAL 442.A N PHE 438.A O no hydrogen 2.867 N/A GLU 443.A N GLY 439.A O no hydrogen 2.970 N/A THR 444.A N ARG 440.A O no hydrogen 2.944 N/A THR 444.A OG1 ARG 440.A O no hydrogen 3.035 N/A LEU 445.A N THR 441.A O no hydrogen 2.858 N/A LEU 446.A N VAL 442.A O no hydrogen 2.910 N/A LEU 447.A N GLU 443.A O no hydrogen 2.946 N/A ARG 448.A N THR 444.A O no hydrogen 2.899 N/A PHE 449.A N LEU 445.A O no hydrogen 2.858 N/A GLY 450.A N LEU 446.A O no hydrogen 3.043 N/A THR 452.A N PHE 449.A O no hydrogen 3.284 N/A THR 452.A OG1 PHE 449.A O no hydrogen 3.339 N/A ILE 453.A N GLY 450.A O no hydrogen 2.925 N/A MET 454.A N LYS 451.A O no hydrogen 3.323 N/A GLU 455.A N THR 452.A O no hydrogen 2.906 N/A ARG 462.A N LEU 458.A O no hydrogen 3.480 N/A ARG 462.A NH2 ASP 525.A OD2 no hydrogen 3.313 N/A VAL 463.A N VAL 459.A O no hydrogen 2.954 N/A ALA 464.A N LEU 460.A O no hydrogen 2.880 N/A ASN 465.A N LYS 461.A O no hydrogen 2.919 N/A ILE 466.A N ARG 462.A O no hydrogen 2.935 N/A LEU 467.A N VAL 463.A O no hydrogen 2.953 N/A ILE 468.A N ALA 464.A O no hydrogen 2.890 N/A ASN 469.A N ASN 465.A O no hydrogen 2.956 N/A ASN 469.A ND2 ALA 505.A O no hydrogen 3.642 N/A ASN 469.A ND2 GLN 508.A OE1 no hydrogen 3.613 N/A ASN 469.A ND2 ASN 509.A OD1 no hydrogen 2.763 N/A LEU 470.A N ILE 466.A O no hydrogen 2.911 N/A TYR 471.A N LEU 467.A O no hydrogen 2.931 N/A TYR 471.A OH THR 326.A OG1 no hydrogen 2.220 N/A GLY 472.A N ILE 468.A O no hydrogen 2.940 N/A MET 473.A N ASN 469.A O no hydrogen 2.903 N/A THR 474.A N LEU 470.A O no hydrogen 2.966 N/A ALA 475.A N TYR 471.A O no hydrogen 2.943 N/A VAL 476.A N GLY 472.A O no hydrogen 2.960 N/A LEU 477.A N MET 473.A O no hydrogen 2.909 N/A SER 478.A N THR 474.A O no hydrogen 2.935 N/A SER 478.A OG VAL 16.A O no hydrogen 2.987 N/A SER 478.A OG THR 474.A O no hydrogen 2.782 N/A ARG 479.A N ALA 475.A O no hydrogen 2.975 N/A ALA 480.A N VAL 476.A O no hydrogen 2.901 N/A SER 481.A N LEU 477.A O no hydrogen 2.916 N/A SER 481.A OG LEU 477.A O no hydrogen 2.759 N/A ARG 482.A N SER 478.A O no hydrogen 2.956 N/A ARG 482.A NE GLU 21.A OE1 no hydrogen 2.548 N/A ARG 482.A NH2 GLU 21.A OE1 no hydrogen 2.811 N/A SER 483.A N ARG 479.A O no hydrogen 2.913 N/A SER 483.A OG ARG 479.A O no hydrogen 3.131 N/A SER 483.A OG GLU 494.A OE1 no hydrogen 2.520 N/A SER 483.A OG GLU 494.A OE2 no hydrogen 3.311 N/A ILE 484.A N ALA 480.A O no hydrogen 2.933 N/A ARG 485.A N SER 481.A O no hydrogen 2.919 N/A ILE 486.A N ARG 482.A O no hydrogen 2.926 N/A GLY 487.A N SER 483.A O no hydrogen 2.871 N/A LEU 488.A N SER 483.A O no hydrogen 3.210 N/A HIS 491.A ND1 LEU 488.A O no hydrogen 3.071 N/A VAL 495.A N HIS 491.A O no hydrogen 2.916 N/A LEU 496.A N ASP 492.A O no hydrogen 2.897 N/A LEU 497.A N HIS 493.A O no hydrogen 2.957 N/A ALA 498.A N GLU 494.A O no hydrogen 2.896 N/A ASN 499.A N VAL 495.A O no hydrogen 2.898 N/A THR 500.A N LEU 496.A O no hydrogen 2.955 N/A THR 500.A OG1 LEU 496.A O no hydrogen 2.986 N/A PHE 501.A N LEU 497.A O no hydrogen 2.961 N/A CYS 502.A N ALA 498.A O no hydrogen 2.883 N/A CYS 502.A SG ALA 498.A O no hydrogen 3.244 N/A VAL 503.A N ASN 499.A O no hydrogen 2.948 N/A GLU 504.A N THR 500.A O no hydrogen 3.012 N/A ALA 505.A N PHE 501.A O no hydrogen 2.863 N/A TYR 506.A N CYS 502.A O no hydrogen 2.867 N/A TYR 506.A OH GLU 433.A OE1 no hydrogen 2.788 N/A TYR 506.A OH GLU 433.A OE2 no hydrogen 3.106 N/A LEU 507.A N VAL 503.A O no hydrogen 3.012 N/A GLN 508.A N GLU 504.A O no hydrogen 2.981 N/A ASN 509.A N ALA 505.A O no hydrogen 2.869 N/A LEU 510.A N TYR 506.A O no hydrogen 2.879 N/A PHE 511.A N LEU 507.A O no hydrogen 3.020 N/A SER 512.A N GLN 508.A O no hydrogen 2.929 N/A SER 512.A OG GLN 508.A O no hydrogen 3.447 N/A LEU 513.A N ASN 509.A O no hydrogen 2.865 N/A SER 514.A N LEU 510.A O no hydrogen 2.929 N/A SER 514.A OG GLU 522.A OE1 no hydrogen 3.136 N/A GLN 515.A N PHE 511.A O no hydrogen 2.959 N/A GLN 515.A NE2 GLU 522.A O no hydrogen 2.685 N/A LEU 516.A N LEU 513.A O no hydrogen 3.383 N/A ASN 523.A N ALA 520.A O no hydrogen 3.407 N/A ASN 523.A ND2 ASP 525.A OD2 no hydrogen 3.009 N/A GLU 526.A N GLU 526.A OE1 no hydrogen 2.864 N/A LYS 529.A N ASP 525.A O no hydrogen 3.391 N/A VAL 531.A N GLN 527.A O no hydrogen 3.285 N/A SER 532.A N ILE 528.A O no hydrogen 2.926 N/A SER 532.A OG ILE 528.A O no hydrogen 2.740 N/A SER 532.A OG LYS 529.A O no hydrogen 2.932 N/A GLN 533.A N LYS 529.A O no hydrogen 2.857 N/A GLN 534.A N LYS 530.A O no hydrogen 2.954 N/A ILE 535.A N VAL 531.A O no hydrogen 2.964 N/A LEU 536.A N SER 532.A O no hydrogen 2.887 N/A GLU 537.A N GLN 533.A O no hydrogen 2.894 N/A LYS 538.A N GLN 534.A O no hydrogen 2.992 N/A LYS 538.A NZ TYR 541.A O no hydrogen 3.453 N/A ARG 539.A N ILE 535.A O no hydrogen 2.521 N/A ALA 540.A N ILE 535.A O no hydrogen 3.381 N/A ASP 548.A N HIS 545.A O no hydrogen 3.018 N/A