Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9ayf_Q.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLN 6.A OE1 no hydrogen 3.083 N/A ARG 4.A NH2 PRO 1.A O no hydrogen 2.752 N/A ALA 5.A N ILE 76.A O no hydrogen 2.920 N/A GLN 6.A N HIS 313.A O no hydrogen 3.203 N/A LYS 7.A N TYR 74.A O no hydrogen 2.931 N/A ILE 11.A N THR 71.A O no hydrogen 3.435 N/A LEU 13.A N GLY 73.A O no hydrogen 3.084 N/A GLY 14.A N ALA 109.A O no hydrogen 2.643 N/A LEU 16.A N VAL 111.A O no hydrogen 2.988 N/A ILE 19.A N PHE 17.A O no hydrogen 3.170 N/A HIS 20.A ND1 ASP 78.A OD2 no hydrogen 3.102 N/A HIS 20.A NE2 GLU 319.A OE2 no hydrogen 3.267 N/A PHE 21.A N ARG 41.A O no hydrogen 3.349 N/A ALA 24.A N GLU 38.A O no hydrogen 2.649 N/A LYS 26.A NZ GLU 38.A OE1 no hydrogen 3.374 N/A GLN 28.A NE2 LYS 26.A O no hydrogen 3.221 N/A LYS 31.A N ASP 29.A OD1 no hydrogen 3.467 N/A LYS 31.A NZ ASP 29.A OD2 no hydrogen 2.703 N/A ILE 40.A N GLY 22.A O no hydrogen 3.167 N/A ARG 41.A NH1 GLU 246.A OE1 no hydrogen 3.084 N/A ASN 43.A N ILE 19.A O no hydrogen 2.812 N/A ASN 43.A ND2 PRO 18.A O no hydrogen 3.365 N/A ARG 48.A N PHE 44.A O no hydrogen 2.911 N/A ARG 48.A NE PRO 345.A O no hydrogen 3.448 N/A ARG 48.A NH2 PRO 345.A O no hydrogen 3.349 N/A TRP 49.A N ARG 45.A O no hydrogen 2.951 N/A LEU 50.A N GLY 46.A O no hydrogen 2.917 N/A GLN 51.A N PHE 47.A O no hydrogen 2.888 N/A ALA 52.A N ARG 48.A O no hydrogen 2.868 N/A MET 53.A N TRP 49.A O no hydrogen 2.999 N/A ILE 54.A N LEU 50.A O no hydrogen 2.969 N/A PHE 55.A N GLN 51.A O no hydrogen 2.832 N/A ALA 56.A N ALA 52.A O no hydrogen 2.930 N/A ILE 57.A N MET 53.A O no hydrogen 2.976 N/A GLU 58.A N ILE 54.A O no hydrogen 2.917 N/A GLU 59.A N PHE 55.A O no hydrogen 2.887 N/A ILE 60.A N ALA 56.A O no hydrogen 2.941 N/A ASN 61.A N ILE 57.A O no hydrogen 2.936 N/A ASN 61.A ND2 LEU 72.A O no hydrogen 3.218 N/A SER 62.A N GLU 58.A O no hydrogen 2.907 N/A SER 62.A OG GLU 58.A O no hydrogen 2.970 N/A SER 63.A N GLU 59.A O no hydrogen 2.984 N/A SER 63.A OG GLU 59.A O no hydrogen 2.783 N/A LEU 67.A N GLN 370.A OE1 no hydrogen 2.781 N/A LEU 72.A N ASN 61.A OD1 no hydrogen 2.933 N/A GLY 73.A N ILE 11.A O no hydrogen 2.791 N/A TYR 74.A N LYS 7.A O no hydrogen 2.911 N/A ARG 75.A N LEU 13.A O no hydrogen 3.051 N/A ILE 76.A N ALA 5.A O no hydrogen 2.875 N/A PHE 77.A N GLY 15.A O no hydrogen 3.219 N/A THR 79.A N PHE 17.A O no hydrogen 3.319 N/A CYS 80.A N ASP 78.A OD1 no hydrogen 2.776 N/A CYS 80.A SG ASP 78.A OD1 no hydrogen 3.323 N/A ASN 81.A N THR 79.A OG1 no hydrogen 3.275 N/A ASN 81.A ND2 PHE 21.A O no hydrogen 3.331 N/A THR 82.A N THR 79.A O no hydrogen 3.187 N/A THR 82.A OG1 CYS 80.A O no hydrogen 2.988 N/A LYS 85.A NZ VAL 37.A O no hydrogen 2.759 N/A LEU 87.A N VAL 83.A O no hydrogen 2.875 N/A GLU 88.A N SER 84.A O no hydrogen 2.920 N/A ALA 89.A N LYS 85.A O no hydrogen 2.956 N/A THR 90.A N ALA 86.A O no hydrogen 2.857 N/A THR 90.A OG1 ALA 86.A O no hydrogen 2.686 N/A LEU 91.A N LEU 87.A O no hydrogen 2.863 N/A SER 92.A N GLU 88.A O no hydrogen 2.976 N/A SER 92.A OG ALA 89.A O no hydrogen 2.565 N/A PHE 93.A N ALA 89.A O no hydrogen 2.898 N/A VAL 94.A N THR 90.A O no hydrogen 3.127 N/A LYS 98.A N VAL 94.A O no hydrogen 2.865 N/A LYS 98.A NZ LEU 91.A O no hydrogen 3.511 N/A ILE 99.A N ALA 95.A O no hydrogen 2.923 N/A ASP 100.A N GLN 96.A O no hydrogen 2.956 N/A SER 101.A N ASN 97.A O no hydrogen 2.890 N/A SER 101.A OG ASN 97.A O no hydrogen 2.923 N/A LEU 102.A N LYS 98.A O no hydrogen 2.894 N/A ASN 103.A N ILE 99.A O no hydrogen 3.261 N/A ILE 108.A N ILE 12.A O no hydrogen 2.922 N/A VAL 110.A N PRO 132.A O no hydrogen 3.190 N/A VAL 111.A N GLY 14.A O no hydrogen 3.362 N/A GLY 112.A N VAL 134.A O no hydrogen 2.912 N/A ALA 113.A N SER 119.A OG no hydrogen 3.349 N/A THR 114.A OG1 TYR 136.A OH no hydrogen 3.262 N/A SER 119.A N GLY 115.A O no hydrogen 3.295 N/A SER 119.A OG GLY 115.A O no hydrogen 2.834 N/A SER 119.A OG SER 138.A OG no hydrogen 2.675 N/A THR 120.A N SER 116.A O no hydrogen 2.861 N/A THR 120.A OG1 SER 116.A O no hydrogen 2.874 N/A ALA 121.A N GLY 117.A O no hydrogen 2.969 N/A VAL 122.A N VAL 118.A O no hydrogen 2.955 N/A ALA 123.A N SER 119.A O no hydrogen 2.797 N/A ASN 124.A N THR 120.A O no hydrogen 2.937 N/A LEU 125.A N ALA 121.A O no hydrogen 3.042 N/A LEU 126.A N VAL 122.A O no hydrogen 2.850 N/A GLY 127.A N ALA 123.A O no hydrogen 2.824 N/A LEU 128.A N ASN 124.A O no hydrogen 3.029 N/A PHE 129.A N LEU 126.A O no hydrogen 2.822 N/A ILE 131.A N LEU 126.A O no hydrogen 3.336 N/A GLN 133.A N SER 151.A O no hydrogen 2.772 N/A GLN 133.A NE2 GLY 112.A O no hydrogen 2.978 N/A VAL 134.A N VAL 110.A O no hydrogen 2.985 N/A SER 135.A N LEU 153.A O no hydrogen 2.904 N/A SER 135.A OG ALA 113.A O no hydrogen 2.772 N/A TYR 136.A OH LEU 16.A O no hydrogen 2.705 N/A TYR 136.A OH THR 114.A OG1 no hydrogen 3.262 N/A SER 138.A OG ALA 113.A O no hydrogen 3.310 N/A SER 138.A OG THR 114.A O no hydrogen 3.051 N/A SER 138.A OG GLY 115.A O no hydrogen 2.638 N/A SER 138.A OG SER 119.A OG no hydrogen 2.675 N/A SER 139.A OG ASP 159.A OD1 no hydrogen 3.045 N/A SER 139.A OG ASP 159.A OD2 no hydrogen 3.076 N/A SER 140.A OG ASP 186.A O no hydrogen 2.954 N/A LEU 142.A N SER 140.A OG no hydrogen 3.244 N/A LEU 143.A N SER 140.A O no hydrogen 3.402 N/A SER 144.A N ARG 141.A O no hydrogen 2.918 N/A SER 144.A OG ASP 422.A OD2 no hydrogen 3.228 N/A LYS 146.A NZ PHE 149.A O no hydrogen 3.436 N/A LYS 146.A NZ PHE 152.A O no hydrogen 2.983 N/A PHE 149.A N ASN 145.A O no hydrogen 3.131 N/A LYS 150.A NZ ASN 147.A O no hydrogen 2.836 N/A SER 151.A OG ILE 131.A O no hydrogen 2.799 N/A LEU 153.A N GLN 133.A O no hydrogen 2.887 N/A ARG 154.A N GLY 421.A O no hydrogen 2.978 N/A ARG 154.A NH1 SER 140.A O no hydrogen 2.656 N/A THR 155.A N SER 135.A O no hydrogen 3.067 N/A THR 155.A OG1 SER 135.A O no hydrogen 2.783 N/A THR 155.A OG1 ASN 357.A O no hydrogen 3.477 N/A ASN 158.A ND2 SER 144.A OG no hydrogen 3.421 N/A ASN 158.A ND2 ASP 422.A OD2 no hydrogen 3.515 N/A ALA 163.A N ASP 159.A O no hydrogen 3.183 N/A THR 164.A N GLU 160.A O no hydrogen 2.976 N/A THR 164.A OG1 GLU 160.A O no hydrogen 3.047 N/A THR 164.A OG1 GLU 198.A OE2 no hydrogen 3.458 N/A ALA 165.A N HIS 161.A O no hydrogen 2.828 N/A MET 166.A N GLN 162.A O no hydrogen 2.924 N/A ALA 167.A N ALA 163.A O no hydrogen 2.966 N/A ASP 168.A N THR 164.A O no hydrogen 2.930 N/A ILE 169.A N ALA 165.A O no hydrogen 2.850 N/A ILE 170.A N MET 166.A O no hydrogen 2.941 N/A GLU 171.A N ALA 167.A O no hydrogen 2.928 N/A TYR 172.A N ASP 168.A O no hydrogen 2.856 N/A TYR 172.A OH GLU 463.A OE2 no hydrogen 2.353 N/A PHE 173.A N ILE 169.A O no hydrogen 3.369 N/A ARG 174.A N GLU 171.A O no hydrogen 3.102 N/A TRP 175.A N ILE 170.A O no hydrogen 3.346 N/A TRP 175.A NE1 PRO 476.A O no hydrogen 3.183 N/A ASN 176.A N SER 478.A O no hydrogen 3.339 N/A TRP 177.A N SER 478.A O no hydrogen 3.428 N/A VAL 178.A N CYS 205.A O no hydrogen 3.169 N/A GLY 179.A N VAL 235.A O no hydrogen 2.995 N/A THR 180.A N PHE 208.A O no hydrogen 3.126 N/A THR 180.A OG1 PHE 208.A O no hydrogen 3.236 N/A ILE 181.A N VAL 237.A O no hydrogen 2.825 N/A ALA 182.A N GLU 210.A O no hydrogen 3.199 N/A ALA 183.A N PHE 239.A O no hydrogen 3.173 N/A ASP 184.A N ILE 212.A O no hydrogen 3.167 N/A ASP 185.A N ALA 183.A O no hydrogen 2.956 N/A TYR 187.A N ASP 185.A OD1 no hydrogen 3.081 N/A GLY 188.A N ASP 185.A OD1 no hydrogen 2.872 N/A ARG 189.A NH1 ASP 184.A OD1 no hydrogen 2.912 N/A ILE 192.A N GLY 188.A O no hydrogen 2.910 N/A GLU 193.A N ARG 189.A O no hydrogen 2.940 N/A LYS 194.A N PRO 190.A O no hydrogen 2.928 N/A LYS 194.A NZ GLU 160.A O no hydrogen 3.506 N/A LYS 194.A NZ GLU 160.A OE1 no hydrogen 3.539 N/A PHE 195.A N GLY 191.A O no hydrogen 2.921 N/A ARG 196.A N ILE 192.A O no hydrogen 2.882 N/A ARG 196.A NE GLU 193.A OE2 no hydrogen 3.464 N/A GLU 197.A N GLU 193.A O no hydrogen 2.963 N/A GLU 198.A N LYS 194.A O no hydrogen 2.951 N/A ALA 199.A N PHE 195.A O no hydrogen 2.845 N/A GLU 200.A N ARG 196.A O no hydrogen 2.913 N/A GLU 201.A N GLU 197.A O no hydrogen 2.948 N/A ARG 202.A N GLU 198.A O no hydrogen 2.909 N/A ARG 202.A NE GLU 171.A OE1 no hydrogen 3.320 N/A ARG 202.A NH1 GLU 198.A OE1 no hydrogen 2.479 N/A ILE 204.A N ALA 199.A O no hydrogen 2.903 N/A CYS 205.A N ASN 176.A O no hydrogen 2.925 N/A ASP 207.A N VAL 178.A O no hydrogen 2.787 N/A SER 209.A OG THR 180.A OG1 no hydrogen 2.887 N/A GLU 210.A N THR 180.A O no hydrogen 3.374 N/A ILE 212.A N ALA 182.A O no hydrogen 3.149 N/A GLN 214.A N ASP 244.A OD1 no hydrogen 3.331 N/A TYR 215.A N SER 213.A OG no hydrogen 3.389 N/A SER 216.A N SER 213.A O no hydrogen 3.289 N/A SER 216.A OG GLU 220.A OE1 no hydrogen 2.511 N/A GLU 219.A N ASP 217.A OD2 no hydrogen 3.132 N/A ILE 221.A N ASP 217.A O no hydrogen 3.214 N/A GLN 222.A N GLU 218.A O no hydrogen 2.930 N/A HIS 223.A N GLU 219.A O no hydrogen 2.881 N/A VAL 224.A N GLU 220.A O no hydrogen 2.927 N/A VAL 225.A N ILE 221.A O no hydrogen 2.917 N/A GLU 226.A N GLN 222.A O no hydrogen 2.913 N/A VAL 227.A N HIS 223.A O no hydrogen 2.883 N/A ILE 228.A N VAL 224.A O no hydrogen 2.940 N/A GLN 229.A N VAL 225.A O no hydrogen 2.880 N/A ASN 230.A N GLU 226.A O no hydrogen 3.023 N/A SER 231.A N ILE 228.A O no hydrogen 3.352 N/A SER 231.A OG ASP 207.A OD2 no hydrogen 2.909 N/A ALA 233.A N SER 231.A OG no hydrogen 3.156 N/A LYS 234.A N SER 478.A OG no hydrogen 3.130 N/A ILE 236.A N ILE 261.A O no hydrogen 2.965 N/A VAL 237.A N GLY 179.A O no hydrogen 2.826 N/A VAL 238.A N LEU 263.A O no hydrogen 3.214 N/A PHE 239.A N ILE 181.A O no hydrogen 2.970 N/A SER 240.A OG SER 241.A O no hydrogen 3.183 N/A SER 241.A OG ASP 244.A OD2 no hydrogen 2.991 N/A LEU 245.A N SER 241.A O no hydrogen 3.010 N/A GLU 246.A N GLY 242.A O no hydrogen 2.926 N/A ILE 249.A N LEU 245.A O no hydrogen 3.128 N/A LYS 250.A N GLU 246.A O no hydrogen 2.918 N/A GLU 251.A N PRO 247.A O no hydrogen 2.945 N/A ILE 252.A N LEU 248.A O no hydrogen 2.904 N/A VAL 253.A N ILE 249.A O no hydrogen 2.916 N/A ARG 254.A N LYS 250.A O no hydrogen 2.911 N/A ARG 254.A NE GLU 251.A OE2 no hydrogen 3.130 N/A ARG 255.A N GLU 251.A O no hydrogen 2.924 N/A ARG 255.A NE GLU 251.A OE1 no hydrogen 3.123 N/A ASN 256.A N VAL 253.A O no hydrogen 3.114 N/A ILE 257.A N ILE 252.A O no hydrogen 3.321 N/A LYS 260.A NZ ALA 233.A O no hydrogen 2.748 N/A ILE 261.A N LYS 234.A O no hydrogen 2.722 N/A TRP 262.A NE1 VAL 282.A O no hydrogen 3.011 N/A LEU 263.A N ILE 236.A O no hydrogen 3.063 N/A ALA 264.A N ILE 287.A O no hydrogen 2.861 N/A GLU 266.A N GLN 162.A OE1 no hydrogen 2.781 N/A TRP 268.A NE1 VAL 238.A O no hydrogen 3.323 N/A ALA 269.A N SER 265.A O no hydrogen 3.087 N/A SER 271.A N TRP 268.A O no hydrogen 3.428 N/A LEU 273.A N SER 271.A OG no hydrogen 3.259 N/A ALA 275.A N SER 271.A O no hydrogen 3.043 N/A MET 276.A N ILE 274.A O no hydrogen 2.945 N/A GLN 278.A N GLN 278.A OE1 no hydrogen 2.895 N/A TYR 279.A N MET 276.A O no hydrogen 3.197 N/A PHE 280.A N PRO 277.A O no hydrogen 2.926 N/A VAL 282.A N TYR 279.A O no hydrogen 2.919 N/A VAL 283.A N TYR 279.A O no hydrogen 2.946 N/A GLY 284.A N PHE 280.A O no hydrogen 2.527 N/A THR 286.A OG1 VAL 283.A O no hydrogen 2.538 N/A ILE 287.A N TRP 262.A O no hydrogen 2.950 N/A GLY 288.A N ILE 430.A O no hydrogen 2.902 N/A PHE 289.A N ALA 264.A O no hydrogen 2.942 N/A ALA 290.A N SER 428.A O no hydrogen 2.891 N/A GLY 294.A N LEU 352.A O no hydrogen 2.917 N/A PHE 299.A N ILE 296.A O no hydrogen 3.337 N/A ARG 300.A NH1 ILE 347.A O no hydrogen 2.875 N/A ARG 300.A NH2 ILE 347.A O no hydrogen 3.239 N/A PHE 302.A N GLY 298.A O no hydrogen 3.319 N/A LEU 303.A N PHE 299.A O no hydrogen 2.921 N/A LYS 304.A N ARG 300.A O no hydrogen 2.914 N/A LYS 305.A N PHE 302.A O no hydrogen 3.339 N/A SER 311.A N HIS 307.A O no hydrogen 3.053 N/A SER 311.A OG HIS 307.A O no hydrogen 3.257 N/A GLY 315.A N ARG 4.A O no hydrogen 3.191 N/A PHE 316.A N ASN 314.A OD1 no hydrogen 3.173 N/A PHE 320.A N PHE 316.A O no hydrogen 3.294 N/A TRP 321.A N ALA 317.A O no hydrogen 2.907 N/A GLU 322.A N LYS 318.A O no hydrogen 2.910 N/A GLU 323.A N GLU 319.A O no hydrogen 2.895 N/A THR 324.A N PHE 320.A O no hydrogen 2.891 N/A THR 324.A OG1 PHE 320.A O no hydrogen 2.228 N/A PHE 325.A N TRP 321.A O no hydrogen 3.242 N/A CYS 327.A N GLU 322.A O no hydrogen 3.284 N/A HIS 328.A N PRO 331.A O no hydrogen 2.720 N/A LEU 329.A N GLU 322.A OE2 no hydrogen 3.332 N/A CYS 333.A N HIS 328.A O no hydrogen 2.932 N/A THR 334.A OG1 ASP 336.A OD1 no hydrogen 2.679 N/A THR 334.A OG1 ASP 336.A OD2 no hydrogen 2.913 N/A THR 334.A OG1 GLU 337.A OE2 no hydrogen 3.529 N/A GLY 335.A N GLU 337.A OE2 no hydrogen 3.250 N/A GLU 337.A N GLU 337.A OE2 no hydrogen 2.992 N/A SER 340.A N ASN 338.A OD1 no hydrogen 3.149 N/A SER 340.A OG ASN 338.A OD1 no hydrogen 3.352 N/A SER 341.A N ASN 338.A O no hydrogen 3.224 N/A SER 341.A OG ASN 338.A O no hydrogen 2.667 N/A TYR 346.A OH LEU 303.A O no hydrogen 2.808 N/A ASP 348.A N THR 344.A O no hydrogen 3.138 N/A ARG 353.A NE LEU 291.A O no hydrogen 3.237 N/A TYR 356.A OH ASN 410.A OD1 no hydrogen 3.104 N/A ASN 357.A ND2 TYR 136.A O no hydrogen 2.984 N/A VAL 358.A N ILE 354.A O no hydrogen 3.237 N/A TYR 359.A N SER 355.A O no hydrogen 2.964 N/A TYR 359.A OH GLU 59.A OE1 no hydrogen 3.246 N/A LEU 360.A N TYR 356.A O no hydrogen 2.851 N/A ALA 361.A N ASN 357.A O no hydrogen 2.895 N/A VAL 362.A N VAL 358.A O no hydrogen 2.986 N/A TYR 363.A N TYR 359.A O no hydrogen 2.971 N/A SER 364.A N LEU 360.A O no hydrogen 2.827 N/A SER 364.A OG LEU 360.A O no hydrogen 3.197 N/A SER 364.A OG ALA 361.A O no hydrogen 2.552 N/A ILE 365.A N ALA 361.A O no hydrogen 3.009 N/A ALA 366.A N VAL 362.A O no hydrogen 2.948 N/A HIS 367.A N TYR 363.A O no hydrogen 2.857 N/A HIS 367.A ND1 TYR 363.A O no hydrogen 3.104 N/A ALA 368.A N SER 364.A O no hydrogen 2.950 N/A LEU 369.A N ILE 365.A O no hydrogen 2.981 N/A GLN 370.A N ALA 366.A O no hydrogen 2.872 N/A ASP 371.A N HIS 367.A O no hydrogen 2.894 N/A ILE 372.A N ALA 368.A O no hydrogen 2.972 N/A TYR 373.A N LEU 369.A O no hydrogen 2.920 N/A THR 374.A N GLN 370.A O no hydrogen 2.845 N/A THR 374.A OG1 GLN 370.A O no hydrogen 2.688 N/A CYS 375.A SG LEU 376.A O no hydrogen 3.922 N/A ARG 379.A N LEU 376.A O no hydrogen 2.940 N/A GLY 380.A N GLY 385.A O no hydrogen 2.485 N/A PHE 382.A N SER 386.A O no hydrogen 3.376 N/A GLY 385.A N PHE 382.A O no hydrogen 3.065 N/A SER 386.A N THR 383.A O no hydrogen 3.010 N/A SER 386.A OG THR 383.A O no hydrogen 2.566 N/A CYS 387.A SG LEU 376.A O no hydrogen 3.096 N/A GLU 394.A N GLN 397.A OE1 no hydrogen 3.244 N/A LEU 399.A N ALA 395.A O no hydrogen 2.937 N/A LYS 400.A N TRP 396.A O no hydrogen 2.878 N/A LYS 400.A NZ HIS 404.A NE2 no hydrogen 3.004 N/A HIS 401.A N GLN 397.A O no hydrogen 2.947 N/A LEU 402.A N VAL 398.A O no hydrogen 2.869 N/A ARG 403.A N LEU 399.A O no hydrogen 2.949 N/A ARG 403.A NH2 LYS 150.A O no hydrogen 3.157 N/A HIS 404.A N LYS 400.A O no hydrogen 3.516 N/A PHE 407.A N VAL 415.A O no hydrogen 2.985 N/A THR 408.A OG1 GLU 413.A O no hydrogen 3.446 N/A ASN 409.A N GLU 413.A O no hydrogen 2.490 N/A ASN 410.A N ASN 409.A OD1 no hydrogen 2.547 N/A ASN 410.A ND2 GLN 295.A O no hydrogen 3.350 N/A GLY 412.A N ASN 409.A O no hydrogen 3.179 N/A GLN 414.A NE2 THR 408.A OG1 no hydrogen 3.292 N/A VAL 415.A N PHE 407.A O no hydrogen 2.859 N/A THR 416.A OG1 LEU 405.A O no hydrogen 3.039 N/A THR 416.A OG1 PHE 417.A O no hydrogen 3.288 N/A CYS 420.A N ASP 418.A OD1 no hydrogen 2.568 N/A CYS 420.A SG SER 144.A O no hydrogen 3.505 N/A GLY 421.A N ASP 418.A O no hydrogen 2.995 N/A ASP 422.A N ASP 418.A OD1 no hydrogen 2.931 N/A TYR 427.A N TYR 449.A O no hydrogen 2.972 N/A SER 428.A N ALA 290.A O no hydrogen 2.919 N/A SER 428.A OG ALA 290.A O no hydrogen 3.311 N/A SER 428.A OG LEU 291.A O no hydrogen 3.551 N/A ILE 429.A N GLY 447.A O no hydrogen 2.884 N/A ILE 430.A N GLY 288.A O no hydrogen 2.902 N/A ASN 431.A N LYS 444.A O no hydrogen 2.777 N/A ASN 431.A ND2 THR 286.A O no hydrogen 2.843 N/A TRP 432.A N THR 286.A O no hydrogen 2.929 N/A TRP 432.A NE1 ALA 269.A O no hydrogen 3.149 N/A HIS 433.A N VAL 442.A O no hydrogen 2.989 N/A SER 435.A N SER 440.A O no hydrogen 3.217 N/A ASP 438.A N SER 435.A OG no hydrogen 3.421 N/A GLY 439.A N SER 435.A O no hydrogen 3.071 N/A VAL 442.A N HIS 433.A O no hydrogen 3.321 N/A LYS 444.A N ASN 431.A O no hydrogen 3.019 N/A VAL 446.A N ILE 429.A O no hydrogen 2.941 N/A TYR 448.A N PHE 460.A O no hydrogen 2.875 N/A TYR 449.A N TYR 427.A O no hydrogen 2.876 N/A ASN 450.A N ARG 458.A O no hydrogen 2.936 N/A VAL 451.A N ASN 426.A OD1 no hydrogen 3.324 N/A TYR 452.A N ASN 450.A OD1 no hydrogen 2.901 N/A GLU 457.A N LYS 454.A O no hydrogen 3.062 N/A ARG 458.A NE ALA 453.A O no hydrogen 3.034 N/A ARG 458.A NH2 ALA 453.A O no hydrogen 3.390 N/A PHE 460.A N TYR 448.A O no hydrogen 2.969 N/A ASN 462.A N VAL 446.A O no hydrogen 2.943 N/A GLU 463.A N GLU 463.A OE1 no hydrogen 2.541 N/A LYS 465.A N ASN 462.A O no hydrogen 3.366 N/A ILE 466.A N GLU 463.A O no hydrogen 3.375 N/A LEU 467.A N ASN 431.A OD1 no hydrogen 2.983 N/A TRP 468.A N SER 472.A O no hydrogen 2.924 N/A GLY 470.A N LEU 467.A O no hydrogen 3.135 N/A PHE 471.A N TRP 468.A O no hydrogen 3.228 N/A SER 472.A N TRP 468.A O no hydrogen 2.791 N/A ARG 473.A NH2 GLU 464.A OE1 no hydrogen 3.467 N/A GLU 474.A N SER 472.A OG no hydrogen 3.230 N/A SER 478.A OG TRP 177.A O no hydrogen 2.899 N/A SER 481.A OG PHE 501.A O no hydrogen 3.340 N/A CYS 484.A N ASP 516.A OD1 no hydrogen 3.338 N/A CYS 484.A SG ARG 489.A O no hydrogen 3.993 N/A GLY 487.A N SER 512.A O no hydrogen 2.838 N/A THR 488.A OG1 LEU 485.A O no hydrogen 2.733 N/A ARG 489.A N VAL 504.A O no hydrogen 2.919 N/A ARG 489.A NH1 LYS 490.A O no hydrogen 3.004 N/A LYS 490.A N ALA 517.A O no hydrogen 2.786 N/A GLU 496.A N ILE 493.A O no hydrogen 3.121 N/A CYS 500.A N PRO 497.A O no hydrogen 3.174 N/A PHE 501.A N SER 481.A OG no hydrogen 3.273 N/A CYS 503.A N GLU 502.A OE2 no hydrogen 3.042 N/A CYS 503.A SG ASP 483.A O no hydrogen 3.827 N/A VAL 504.A N ARG 489.A O no hydrogen 2.874 N/A CYS 506.A N GLY 487.A O no hydrogen 3.512 N/A CYS 506.A SG GLY 487.A O no hydrogen 3.325 N/A GLY 509.A N SER 529.A OG no hydrogen 3.014 N/A GLU 510.A N PRO 507.A O no hydrogen 3.053 N/A TYR 511.A N ASN 521.A O no hydrogen 3.192 N/A SER 512.A N HIS 533.A O no hydrogen 3.331 N/A SER 512.A OG THR 488.A O no hydrogen 2.964 N/A SER 512.A OG GLU 514.A O no hydrogen 3.486 N/A ASP 516.A N CYS 484.A O no hydrogen 3.362 N/A CYS 520.A SG GLU 510.A OE1 no hydrogen 3.837 N/A ASN 521.A N TYR 511.A O no hydrogen 3.125 N/A LYS 522.A NZ GLU 510.A OE2 no hydrogen 2.773 N/A PHE 527.A N PRO 524.A O no hydrogen 2.973 N/A TRP 528.A N ILE 537.A O no hydrogen 2.889 N/A ASN 530.A N SER 535.A O no hydrogen 3.274 N/A HIS 533.A N ASN 530.A O no hydrogen 3.345 N/A HIS 533.A ND1 GLU 505.A OE2 no hydrogen 3.339 N/A HIS 533.A NE2 ASP 508.A OD1 no hydrogen 2.616 N/A THR 534.A N ASN 530.A OD1 no hydrogen 3.324 N/A ILE 537.A N TRP 528.A O no hydrogen 2.887 N/A LYS 539.A N ASP 526.A O no hydrogen 3.153 N/A LYS 539.A NZ ASP 673.A O no hydrogen 3.214 N/A GLU 542.A N ILE 676.A O no hydrogen 2.917 N/A THR 547.A N SER 545.A OG no hydrogen 3.184 N/A ILE 552.A N GLU 548.A O no hydrogen 3.169 N/A ALA 553.A N PRO 549.A O no hydrogen 2.947 N/A LEU 554.A N PHE 550.A O no hydrogen 2.956 N/A THR 555.A N GLY 551.A O no hydrogen 2.904 N/A THR 555.A OG1 GLY 551.A O no hydrogen 2.495 N/A LEU 556.A N ILE 552.A O no hydrogen 2.899 N/A PHE 557.A N ALA 553.A O no hydrogen 2.989 N/A ALA 558.A N LEU 554.A O no hydrogen 2.939 N/A VAL 559.A N THR 555.A O no hydrogen 2.917 N/A LEU 560.A N LEU 556.A O no hydrogen 2.928 N/A GLY 561.A N PHE 557.A O no hydrogen 2.950 N/A ILE 562.A N ALA 558.A O no hydrogen 2.960 N/A PHE 563.A N VAL 559.A O no hydrogen 2.916 N/A LEU 564.A N LEU 560.A O no hydrogen 2.928 N/A THR 565.A N GLY 561.A O no hydrogen 2.968 N/A THR 565.A OG1 GLY 561.A O no hydrogen 2.608 N/A ALA 566.A N ILE 562.A O no hydrogen 2.949 N/A PHE 567.A N PHE 563.A O no hydrogen 2.885 N/A VAL 568.A N LEU 564.A O no hydrogen 2.950 N/A LEU 569.A N THR 565.A O no hydrogen 2.958 N/A GLY 570.A N ALA 566.A O no hydrogen 2.890 N/A VAL 571.A N PHE 567.A O no hydrogen 2.948 N/A PHE 572.A N VAL 568.A O no hydrogen 2.938 N/A ILE 573.A N LEU 569.A O no hydrogen 2.937 N/A LYS 574.A N GLY 570.A O no hydrogen 2.914 N/A PHE 575.A N VAL 571.A O no hydrogen 3.056 N/A THR 578.A OG1 PHE 575.A O no hydrogen 2.637 N/A THR 578.A OG1 ARG 576.A O no hydrogen 3.518 N/A LYS 582.A N THR 578.A O no hydrogen 2.954 N/A ALA 583.A N PRO 579.A O no hydrogen 2.890 N/A THR 584.A N ILE 580.A O no hydrogen 2.937 N/A THR 584.A N VAL 581.A O no hydrogen 3.308 N/A THR 584.A OG1 ILE 580.A O no hydrogen 3.161 N/A THR 584.A OG1 VAL 581.A O no hydrogen 3.166 N/A ASN 585.A ND2 GLN 639.A OE1 no hydrogen 2.834 N/A LEU 588.A N ASN 585.A OD1 no hydrogen 3.167 N/A SER 589.A N ASN 585.A O no hydrogen 2.950 N/A TYR 590.A N ARG 586.A O no hydrogen 2.917 N/A TYR 590.A OH PHE 572.A O no hydrogen 3.386 N/A LEU 591.A N GLU 587.A O no hydrogen 2.960 N/A LEU 592.A N LEU 588.A O no hydrogen 2.869 N/A LEU 593.A N SER 589.A O no hydrogen 2.908 N/A PHE 594.A N TYR 590.A O no hydrogen 2.946 N/A SER 595.A N LEU 591.A O no hydrogen 2.912 N/A SER 595.A OG LEU 592.A O no hydrogen 2.824 N/A LEU 596.A N LEU 592.A O no hydrogen 2.860 N/A LEU 597.A N LEU 593.A O no hydrogen 2.920 N/A CYS 598.A N PHE 594.A O no hydrogen 2.960 N/A CYS 598.A SG PHE 594.A O no hydrogen 3.615 N/A CYS 599.A N SER 595.A O no hydrogen 2.865 N/A CYS 599.A SG SER 595.A O no hydrogen 3.304 N/A PHE 600.A N LEU 596.A O no hydrogen 2.910 N/A SER 601.A N LEU 597.A O no hydrogen 2.924 N/A SER 601.A OG LEU 597.A O no hydrogen 2.960 N/A SER 602.A N CYS 598.A O no hydrogen 2.908 N/A SER 602.A OG CYS 599.A O no hydrogen 2.783 N/A SER 603.A OG PHE 600.A O no hydrogen 2.925 N/A LEU 604.A N SER 601.A O no hydrogen 3.348 N/A GLY 608.A N LEU 544.A O no hydrogen 2.854 N/A GLN 611.A NE2 GLU 609.A O no hydrogen 2.679 N/A THR 614.A OG1 GLN 611.A O no hydrogen 2.857 N/A CYS 615.A N GLN 611.A O no hydrogen 3.101 N/A CYS 615.A SG GLN 611.A O no hydrogen 3.272 N/A ARG 616.A N ASP 612.A O no hydrogen 2.972 N/A ARG 616.A NH1 ASP 612.A O no hydrogen 2.596 N/A LEU 617.A N TRP 613.A O no hydrogen 2.901 N/A LEU 617.A N THR 614.A O no hydrogen 3.226 N/A ARG 618.A NE PHE 605.A O no hydrogen 3.169 N/A GLY 623.A N GLN 619.A O no hydrogen 2.992 N/A ILE 624.A N PRO 620.A O no hydrogen 2.879 N/A SER 625.A N ALA 621.A O no hydrogen 2.952 N/A SER 625.A OG ALA 621.A O no hydrogen 2.846 N/A PHE 626.A N PHE 622.A O no hydrogen 2.909 N/A VAL 627.A N GLY 623.A O no hydrogen 2.952 N/A LEU 628.A N ILE 624.A O no hydrogen 2.922 N/A CYS 629.A N SER 625.A O no hydrogen 2.930 N/A CYS 629.A SG SER 595.A OG no hydrogen 2.523 N/A CYS 629.A SG SER 625.A O no hydrogen 3.638 N/A ILE 630.A N PHE 626.A O no hydrogen 2.896 N/A SER 631.A N VAL 627.A O no hydrogen 2.918 N/A SER 631.A OG VAL 627.A O no hydrogen 2.985 N/A CYS 632.A N LEU 628.A O no hydrogen 2.901 N/A CYS 632.A SG LEU 628.A O no hydrogen 3.233 N/A ILE 633.A N CYS 629.A O no hydrogen 2.960 N/A LEU 634.A N ILE 630.A O no hydrogen 2.890 N/A VAL 635.A N SER 631.A O no hydrogen 2.903 N/A LYS 636.A N CYS 632.A O no hydrogen 3.119 N/A PHE 640.A N ASN 637.A OD1 no hydrogen 3.356 N/A LEU 641.A N ASN 637.A O no hydrogen 3.177 N/A LEU 642.A N LEU 638.A O no hydrogen 2.918 N/A VAL 643.A N GLN 639.A O no hydrogen 2.868 N/A PHE 644.A N PHE 640.A O no hydrogen 2.909 N/A THR 647.A OG1 VAL 643.A O no hydrogen 3.367 N/A PHE 648.A N PHE 644.A O no hydrogen 2.871 N/A MET 649.A N LEU 645.A O no hydrogen 2.921 N/A GLN 650.A N CYS 646.A O no hydrogen 2.970 N/A ILE 651.A N THR 647.A O no hydrogen 2.846 N/A VAL 652.A N PHE 648.A O no hydrogen 2.880 N/A ILE 653.A N MET 649.A O no hydrogen 3.018 N/A CYS 654.A N GLN 650.A O no hydrogen 2.941 N/A CYS 654.A SG GLN 650.A O no hydrogen 3.146 N/A VAL 655.A N ILE 651.A O no hydrogen 2.876 N/A ILE 656.A N VAL 652.A O no hydrogen 2.942 N/A TRP 657.A N ILE 653.A O no hydrogen 2.918 N/A LEU 658.A N CYS 654.A O no hydrogen 2.910 N/A TYR 659.A N VAL 655.A O no hydrogen 2.879 N/A THR 660.A N ILE 656.A O no hydrogen 2.930 N/A THR 660.A OG1 ILE 656.A O no hydrogen 2.885 N/A ALA 661.A N TRP 657.A O no hydrogen 3.159 N/A SER 664.A N HIS 681.A O no hydrogen 3.349 N/A SER 665.A N ASP 612.A OD1 no hydrogen 3.365 N/A SER 665.A OG PRO 610.A O no hydrogen 3.334 N/A SER 665.A OG THR 679.A O no hydrogen 3.347 N/A TYR 666.A N THR 679.A O no hydrogen 2.890 N/A ASN 668.A N PHE 677.A O no hydrogen 2.874 N/A ILE 675.A N GLU 672.A O no hydrogen 3.421 N/A ILE 676.A N GLU 540.A O no hydrogen 2.893 N/A PHE 677.A N ASN 668.A O no hydrogen 2.963 N/A ILE 678.A N GLU 542.A O no hydrogen 2.982 N/A THR 679.A N TYR 666.A O no hydrogen 2.938 N/A THR 679.A OG1 CYS 680.A O no hydrogen 2.734 N/A GLU 682.A N GLU 682.A OE1 no hydrogen 3.061 N/A ALA 687.A N SER 684.A OG no hydrogen 3.392 N/A GLY 689.A N LEU 685.A O no hydrogen 2.947 N/A PHE 690.A N MET 686.A O no hydrogen 2.894 N/A LEU 691.A N ALA 687.A O no hydrogen 2.903 N/A ILE 692.A N LEU 688.A O no hydrogen 2.979 N/A GLY 693.A N GLY 689.A O no hydrogen 2.897 N/A TYR 694.A N PHE 690.A O no hydrogen 2.888 N/A THR 695.A N LEU 691.A O no hydrogen 3.041 N/A THR 695.A OG1 LEU 691.A O no hydrogen 2.913 N/A CYS 696.A N ILE 692.A O no hydrogen 2.938 N/A CYS 696.A SG ILE 692.A O no hydrogen 3.507 N/A LEU 697.A N GLY 693.A O no hydrogen 2.869 N/A LEU 698.A N TYR 694.A O no hydrogen 2.996 N/A ALA 699.A N THR 695.A O no hydrogen 2.975 N/A ALA 700.A N CYS 696.A O no hydrogen 3.134 N/A ILE 701.A N LEU 697.A O no hydrogen 2.947 N/A CYS 702.A N LEU 698.A O no hydrogen 2.974 N/A PHE 703.A N ALA 699.A O no hydrogen 2.899 N/A PHE 704.A N ALA 700.A O no hydrogen 2.918 N/A PHE 705.A N ILE 701.A O no hydrogen 2.985 N/A ALA 706.A N CYS 702.A O no hydrogen 2.901 N/A PHE 707.A N PHE 703.A O no hydrogen 2.900 N/A LYS 708.A N PHE 704.A O no hydrogen 2.954 N/A ARG 710.A NH1 PHE 707.A O no hydrogen 3.197 N/A ASN 715.A ND2 ALA 583.A O no hydrogen 3.302 N/A ASN 717.A N PRO 713.A O no hydrogen 3.341 N/A ASN 717.A N GLU 714.A O no hydrogen 3.128 N/A ILE 722.A N GLU 718.A O no hydrogen 2.920 N/A THR 723.A N ALA 719.A O no hydrogen 2.915 N/A THR 723.A OG1 ALA 719.A O no hydrogen 3.012 N/A PHE 724.A N LYS 720.A O no hydrogen 2.961 N/A SER 725.A N PHE 721.A O no hydrogen 2.893 N/A MET 726.A N ILE 722.A O no hydrogen 2.959 N/A LEU 727.A N THR 723.A O no hydrogen 2.957 N/A ILE 728.A N PHE 724.A O no hydrogen 2.938 N/A PHE 729.A N SER 725.A O no hydrogen 2.947 N/A PHE 730.A N MET 726.A O no hydrogen 2.963 N/A ILE 731.A N LEU 727.A O no hydrogen 2.939 N/A VAL 732.A N ILE 728.A O no hydrogen 2.884 N/A TRP 733.A N PHE 729.A O no hydrogen 3.056 N/A ILE 734.A N PHE 730.A O no hydrogen 2.932 N/A SER 735.A N ILE 731.A O no hydrogen 2.950 N/A PHE 736.A N VAL 732.A O no hydrogen 2.847 N/A ILE 737.A N TRP 733.A O no hydrogen 3.064 N/A TYR 740.A N PHE 736.A O no hydrogen 2.958 N/A ALA 741.A N ILE 737.A O no hydrogen 2.981 N/A SER 742.A N PRO 738.A O no hydrogen 2.899 N/A SER 742.A OG PRO 738.A O no hydrogen 2.789 N/A THR 743.A OG1 ALA 739.A O no hydrogen 2.413 N/A LYS 746.A NZ GLU 548.A OE2 no hydrogen 3.002 N/A SER 749.A N LYS 746.A O no hydrogen 2.962 N/A SER 749.A OG LYS 746.A O no hydrogen 3.140 N/A VAL 751.A N PHE 747.A O no hydrogen 3.353 N/A VAL 751.A N VAL 748.A O no hydrogen 2.991 N/A VAL 753.A N SER 749.A O no hydrogen 3.171 N/A ILE 754.A N ALA 750.A O no hydrogen 2.832 N/A ALA 755.A N VAL 751.A O no hydrogen 2.761 N/A ILE 756.A N GLU 752.A O no hydrogen 2.985 N/A ALA 758.A N ILE 754.A O no hydrogen 2.919 N/A ALA 759.A N ALA 755.A O no hydrogen 2.922 N/A SER 760.A N ILE 756.A O no hydrogen 2.896 N/A SER 760.A OG ILE 756.A O no hydrogen 3.031 N/A PHE 761.A N LEU 757.A O no hydrogen 2.807 N/A GLY 762.A N ALA 758.A O no hydrogen 2.993 N/A LEU 763.A N ALA 759.A O no hydrogen 3.022 N/A LEU 764.A N SER 760.A O no hydrogen 2.919 N/A ALA 765.A N PHE 761.A O no hydrogen 2.963 N/A CYS 766.A N GLY 762.A O no hydrogen 2.958 N/A CYS 766.A SG GLY 762.A O no hydrogen 3.139 N/A ILE 767.A N LEU 763.A O no hydrogen 3.071 N/A ILE 767.A N LEU 764.A O no hydrogen 3.015 N/A PHE 768.A N ALA 765.A O no hydrogen 3.014 N/A PHE 769.A N ALA 765.A O no hydrogen 3.227 N/A LYS 771.A N ASN 770.A OD1 no hydrogen 2.486 N/A TYR 773.A N PHE 769.A O no hydrogen 2.849 N/A ILE 774.A N ASN 770.A O no hydrogen 3.246 N/A ILE 774.A N LYS 771.A O no hydrogen 2.923 N/A ILE 775.A N LYS 771.A O no hydrogen 2.902 N/A LEU 776.A N ILE 772.A O no hydrogen 3.192 N/A SER 780.A N LYS 778.A O no hydrogen 2.441 N/A