Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9aym_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ASP 3.A OD1 no hydrogen 2.778 N/A ARG 5.A NE ASP 3.A OD1 no hydrogen 2.755 N/A ARG 5.A NH1 LYS 179.A O no hydrogen 3.546 N/A ARG 5.A NH2 ASP 3.A OD2 no hydrogen 2.359 N/A ILE 6.A N ASP 3.A O no hydrogen 3.180 N/A THR 8.A N SER 4.A O no hydrogen 3.156 N/A THR 8.A OG1 SER 4.A O no hydrogen 2.375 N/A LEU 9.A N ARG 5.A O no hydrogen 2.885 N/A ILE 10.A N ILE 6.A O no hydrogen 2.973 N/A ARG 11.A N PRO 7.A O no hydrogen 2.848 N/A ASN 12.A N THR 8.A O no hydrogen 2.922 N/A ASN 12.A ND2 LYS 182.A O no hydrogen 3.593 N/A GLY 13.A N LEU 9.A O no hydrogen 2.920 N/A LEU 14.A N ILE 10.A O no hydrogen 2.910 N/A GLN 15.A N ARG 11.A O no hydrogen 2.889 N/A GLN 15.A NE2 PRO 185.A O no hydrogen 3.468 N/A THR 16.A N ASN 12.A O no hydrogen 2.921 N/A THR 16.A OG1 ASN 12.A O no hydrogen 2.825 N/A LYS 18.A N GLY 13.A O no hydrogen 2.968 N/A LYS 18.A NZ GLY 417.A O no hydrogen 3.254 N/A ARG 19.A N ASP 418.A OD1 no hydrogen 2.873 N/A ARG 19.A NE ASP 418.A OD2 no hydrogen 2.809 N/A SER 20.A N GLY 111.A O no hydrogen 3.165 N/A PHE 21.A N SER 162.A O no hydrogen 2.922 N/A PHE 22.A N VAL 113.A O no hydrogen 2.977 N/A VAL 23.A N LEU 164.A O no hydrogen 2.932 N/A VAL 24.A N LEU 115.A O no hydrogen 2.889 N/A VAL 25.A N ILE 166.A O no hydrogen 3.119 N/A GLY 26.A N LEU 117.A O no hydrogen 3.209 N/A HIS 28.A N ASP 168.A OD2 no hydrogen 2.671 N/A HIS 28.A ND1 ASP 168.A OD2 no hydrogen 2.604 N/A GLU 31.A N HIS 28.A O no hydrogen 3.213 N/A ILE 33.A N ALA 29.A O no hydrogen 2.915 N/A VAL 34.A N LYS 30.A O no hydrogen 2.924 N/A HIS 35.A N GLU 31.A O no hydrogen 2.921 N/A LEU 36.A N ALA 32.A O no hydrogen 2.885 N/A TYR 37.A N ILE 33.A O no hydrogen 2.901 N/A TYR 38.A N VAL 34.A O no hydrogen 2.932 N/A ILE 39.A N HIS 35.A O no hydrogen 3.331 N/A MET 40.A N LEU 36.A O no hydrogen 3.074 N/A SER 41.A N TYR 37.A O no hydrogen 2.898 N/A SER 41.A OG ASN 48.A OD1 no hydrogen 2.912 N/A SER 42.A N TYR 38.A O no hydrogen 2.905 N/A SER 42.A OG ILE 39.A O no hydrogen 3.300 N/A ARG 46.A NH2 LEU 14.A O no hydrogen 3.410 N/A GLN 47.A NE2 GLY 109.A O no hydrogen 2.766 N/A VAL 51.A N ASP 67.A O no hydrogen 2.814 N/A LEU 52.A N MET 86.A O no hydrogen 2.853 N/A TRP 53.A N ARG 69.A O no hydrogen 2.789 N/A ALA 54.A N ILE 88.A O no hydrogen 2.970 N/A LYS 56.A N ASP 91.A OD2 no hydrogen 2.799 N/A PHE 62.A N PRO 58.A O no hydrogen 2.679 N/A ILE 63.A N PHE 59.A O no hydrogen 2.944 N/A SER 64.A OG GLU 60.A O no hydrogen 3.431 N/A SER 64.A OG LEU 61.A O no hydrogen 3.301 N/A LEU 65.A N PHE 62.A O no hydrogen 3.460 N/A ARG 69.A N VAL 51.A O no hydrogen 2.741 N/A CYS 71.A N TRP 53.A O no hydrogen 2.853 N/A CYS 71.A SG TYR 72.A O no hydrogen 3.300 N/A CYS 71.A SG GLU 75.A O no hydrogen 3.234 N/A GLU 75.A N TYR 72.A O no hydrogen 3.135 N/A THR 76.A N TYR 73.A O no hydrogen 3.429 N/A THR 76.A OG1 TYR 73.A O no hydrogen 2.825 N/A LYS 78.A N GLU 75.A O no hydrogen 2.916 N/A ILE 79.A N THR 76.A O no hydrogen 3.441 N/A ASN 82.A N ILE 79.A O no hydrogen 3.307 N/A ASN 82.A ND2 TYR 84.A OH no hydrogen 2.648 N/A THR 83.A OG1 ASN 82.A O no hydrogen 2.728 N/A TYR 84.A N THR 106.A O no hydrogen 2.955 N/A GLY 85.A N SER 50.A O no hydrogen 2.857 N/A CYS 87.A N LEU 112.A O no hydrogen 3.003 N/A CYS 87.A SG THR 103.A O no hydrogen 3.185 N/A CYS 87.A SG THR 103.A OG1 no hydrogen 3.139 N/A ILE 88.A N LEU 52.A O no hydrogen 2.726 N/A LEU 89.A N VAL 114.A O no hydrogen 3.018 N/A GLN 90.A N ALA 54.A O no hydrogen 3.061 N/A ILE 95.A N PHE 92.A O no hydrogen 3.261 N/A LEU 100.A N THR 96.A O no hydrogen 3.064 N/A ALA 101.A N PRO 97.A O no hydrogen 2.935 N/A ARG 102.A N ASN 98.A O no hydrogen 2.927 N/A THR 103.A N ILE 99.A O no hydrogen 2.886 N/A ILE 104.A N LEU 100.A O no hydrogen 2.952 N/A GLU 108.A N TYR 84.A O no hydrogen 3.181 N/A GLY 109.A N ARG 413.A O no hydrogen 2.299 N/A GLY 110.A N LYS 18.A O no hydrogen 3.008 N/A GLY 111.A N GLU 108.A O no hydrogen 3.097 N/A VAL 113.A N SER 20.A O no hydrogen 2.842 N/A VAL 114.A N CYS 87.A O no hydrogen 2.840 N/A LEU 115.A N PHE 22.A O no hydrogen 2.935 N/A LEU 116.A N LEU 89.A O no hydrogen 2.740 N/A LEU 117.A N VAL 24.A O no hydrogen 2.488 N/A THR 121.A N GLN 125.A OE1 no hydrogen 3.116 N/A LYS 124.A N SER 122.A OG no hydrogen 3.285 N/A LYS 124.A NZ TYR 127.A OH no hydrogen 3.548 N/A GLN 125.A N SER 122.A O no hydrogen 2.790 N/A LEU 126.A N LEU 123.A O no hydrogen 3.036 N/A ASP 132.A N GLU 93.A O no hydrogen 2.837 N/A HIS 134.A N MET 131.A O no hydrogen 3.295 N/A HIS 134.A NE2 ASP 482.A OD2 no hydrogen 2.515 N/A ARG 136.A N VAL 133.A O no hydrogen 3.038 N/A TYR 137.A N HIS 134.A O no hydrogen 3.079 N/A ARG 138.A N HIS 134.A O no hydrogen 3.270 N/A ARG 138.A NH1 ASP 143.A OD1 no hydrogen 2.508 N/A THR 139.A N HIS 142.A O no hydrogen 2.763 N/A THR 139.A OG1 TYR 137.A O no hydrogen 3.214 N/A ARG 148.A N ASP 482.A OD1 no hydrogen 2.726 N/A ARG 148.A NH1 SER 481.A O no hydrogen 3.461 N/A PHE 149.A N ASP 482.A OD1 no hydrogen 3.044 N/A ASN 150.A ND2 LEU 126.A O no hydrogen 3.308 N/A ARG 152.A N ARG 148.A O no hydrogen 3.216 N/A ARG 152.A NE GLU 455.A OE1 no hydrogen 2.991 N/A ARG 152.A NE GLU 455.A OE2 no hydrogen 3.103 N/A ARG 152.A NH2 GLU 455.A OE2 no hydrogen 2.554 N/A PHE 153.A N PHE 149.A O no hydrogen 2.847 N/A LEU 154.A N ASN 150.A O no hydrogen 2.937 N/A LEU 155.A N GLU 151.A O no hydrogen 3.284 N/A SER 156.A N ARG 152.A O no hydrogen 2.699 N/A SER 156.A OG ARG 152.A O no hydrogen 3.328 N/A SER 156.A OG PHE 153.A O no hydrogen 2.543 N/A GLY 158.A N LEU 155.A O no hydrogen 3.270 N/A SER 159.A N SER 156.A O no hydrogen 2.991 N/A SER 159.A OG SER 156.A O no hydrogen 2.774 N/A CYS 160.A N LEU 157.A O no hydrogen 2.924 N/A CYS 160.A SG ASN 419.A O no hydrogen 3.537 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.552 N/A LEU 164.A N PHE 21.A O no hydrogen 2.840 N/A VAL 165.A N SER 176.A OG no hydrogen 2.382 N/A ILE 166.A N VAL 23.A O no hydrogen 2.761 N/A LEU 170.A N ASP 167.A O no hydrogen 3.106 N/A ASN 171.A ND2 GLU 169.A O no hydrogen 3.632 N/A LEU 173.A N VAL 165.A O no hydrogen 3.361 N/A SER 176.A N LEU 173.A O no hydrogen 2.961 N/A SER 176.A OG VAL 165.A O no hydrogen 3.310 N/A LYS 179.A NZ SER 176.A O no hydrogen 3.170 N/A VAL 181.A N GLY 178.A O no hydrogen 3.353 N/A LYS 182.A NZ VAL 181.A O no hydrogen 3.009 N/A LEU 184.A N ASN 12.A OD1 no hydrogen 3.060 N/A ALA 196.A N SER 194.A OG no hydrogen 3.345 N/A LYS 198.A N SER 194.A O no hydrogen 3.172 N/A GLU 199.A N PRO 195.A O no hydrogen 2.871 N/A LEU 200.A N ALA 196.A O no hydrogen 2.897 N/A LYS 201.A N ALA 197.A O no hydrogen 3.138 N/A LYS 202.A N LYS 198.A O no hydrogen 2.906 N/A LYS 202.A NZ GLU 199.A OE2 no hydrogen 3.110 N/A ILE 203.A N GLU 199.A O no hydrogen 2.905 N/A LYS 204.A N LEU 200.A O no hydrogen 2.837 N/A LYS 204.A N LYS 201.A O no hydrogen 3.239 N/A LYS 204.A NZ ALA 220.A O no hydrogen 3.112 N/A ASP 205.A N LYS 201.A O no hydrogen 2.755 N/A GLU 206.A N LYS 202.A O no hydrogen 2.984 N/A LEU 207.A N LYS 204.A O no hydrogen 3.144 N/A GLN 211.A NE2 GLU 208.A O no hydrogen 3.474 N/A GLY 214.A N THR 210.A O no hydrogen 3.025 N/A SER 215.A OG ALA 297.A O no hydrogen 2.642 N/A LEU 216.A N PRO 212.A O no hydrogen 3.076 N/A LEU 216.A N ILE 213.A O no hydrogen 3.249 N/A ARG 221.A N GLN 225.A OE1 no hydrogen 3.184 N/A GLN 225.A N THR 222.A OG1 no hydrogen 2.777 N/A GLN 225.A NE2 GLY 254.A O no hydrogen 2.956 N/A ALA 226.A N THR 222.A O no hydrogen 2.937 N/A LYS 227.A N VAL 223.A O no hydrogen 2.914 N/A ALA 228.A N ASP 224.A O no hydrogen 2.888 N/A LEU 229.A N GLN 225.A O no hydrogen 2.898 N/A LEU 230.A N ALA 226.A O no hydrogen 2.880 N/A THR 231.A N LYS 227.A O no hydrogen 2.934 N/A PHE 232.A N ALA 228.A O no hydrogen 2.913 N/A VAL 233.A N LEU 229.A O no hydrogen 2.891 N/A ASP 234.A N LEU 230.A O no hydrogen 2.879 N/A ALA 235.A N THR 231.A O no hydrogen 2.961 N/A ALA 235.A N PHE 232.A O no hydrogen 3.201 N/A ILE 236.A N PHE 232.A O no hydrogen 2.845 N/A ALA 237.A N VAL 233.A O no hydrogen 2.569 N/A LYS 239.A N ILE 236.A O no hydrogen 2.724 N/A LYS 239.A NZ ALA 237.A O no hydrogen 2.998 N/A THR 240.A OG1 GLU 238.A O no hydrogen 3.143 N/A THR 240.A OG1 GLU 238.A OE2 no hydrogen 3.077 N/A ASN 243.A ND2 ALA 235.A O no hydrogen 3.635 N/A ASN 243.A ND2 GLU 238.A OE2 no hydrogen 3.034 N/A VAL 245.A N VAL 372.A O no hydrogen 3.084 N/A THR 246.A N LYS 404.A O no hydrogen 2.777 N/A LEU 247.A N MET 374.A O no hydrogen 2.629 N/A THR 248.A N ILE 406.A O no hydrogen 3.230 N/A ALA 249.A N SER 376.A O no hydrogen 3.026 N/A ARG 251.A NE GLU 105.A OE2 no hydrogen 2.899 N/A ARG 253.A N ALA 250.A O no hydrogen 3.426 N/A ARG 253.A NE SER 409.A O no hydrogen 2.936 N/A ARG 253.A NH1 GLU 421.A OE2 no hydrogen 2.711 N/A ARG 253.A NH2 GLU 421.A OE2 no hydrogen 3.503 N/A SER 256.A OG THR 286.A OG1 no hydrogen 2.783 N/A ALA 258.A N GLY 254.A O no hydrogen 3.367 N/A MET 259.A N LYS 255.A O no hydrogen 2.925 N/A GLY 260.A N SER 256.A O no hydrogen 2.864 N/A VAL 261.A N ALA 257.A O no hydrogen 2.955 N/A ALA 262.A N ALA 258.A O no hydrogen 2.917 N/A ILE 263.A N MET 259.A O no hydrogen 2.875 N/A ALA 264.A N GLY 260.A O no hydrogen 2.943 N/A ALA 265.A N VAL 261.A O no hydrogen 2.894 N/A ALA 266.A N ALA 262.A O no hydrogen 2.897 N/A VAL 267.A N ILE 263.A O no hydrogen 2.907 N/A ALA 268.A N ALA 264.A O no hydrogen 2.918 N/A TYR 269.A N ALA 266.A O no hydrogen 3.216 N/A GLY 270.A N VAL 267.A O no hydrogen 3.306 N/A SER 272.A N GLU 348.A OE1 no hydrogen 2.751 N/A ILE 274.A N THR 332.A O no hydrogen 3.051 N/A PHE 275.A N LEU 349.A O no hydrogen 2.803 N/A ILE 276.A N GLN 334.A O no hydrogen 2.877 N/A THR 277.A N VAL 351.A O no hydrogen 2.905 N/A ASN 283.A N SER 280.A O no hydrogen 3.158 N/A LEU 284.A N PRO 281.A O no hydrogen 2.983 N/A THR 286.A OG1 SER 256.A OG no hydrogen 2.783 N/A GLU 289.A N LYS 285.A O no hydrogen 2.915 N/A PHE 290.A N THR 286.A O no hydrogen 2.912 N/A VAL 291.A N LEU 287.A O no hydrogen 2.895 N/A PHE 292.A N PHE 288.A O no hydrogen 2.919 N/A LYS 293.A N GLU 289.A O no hydrogen 2.912 N/A GLY 294.A N PHE 290.A O no hydrogen 2.878 N/A PHE 295.A N VAL 291.A O no hydrogen 2.911 N/A ASP 296.A N PHE 292.A O no hydrogen 2.890 N/A ALA 297.A N LYS 293.A O no hydrogen 2.906 N/A LEU 298.A N GLY 294.A O no hydrogen 2.909 N/A LEU 298.A N PHE 295.A O no hydrogen 3.006 N/A ASP 299.A N ASP 296.A O no hydrogen 3.148 N/A TYR 300.A N PHE 295.A O no hydrogen 3.152 N/A LYS 301.A N ASP 305.A OD2 no hydrogen 2.802 N/A HIS 303.A N TYR 306.A O no hydrogen 3.192 N/A ASP 305.A N LYS 301.A O no hydrogen 3.022 N/A THR 307.A N ASN 324.A O no hydrogen 3.203 N/A ILE 309.A N ARG 322.A O no hydrogen 2.722 N/A GLN 310.A NE2 ASN 317.A OD1 no hydrogen 3.279 N/A ASN 317.A N GLU 315.A O no hydrogen 2.790 N/A ALA 319.A N PHE 316.A O no hydrogen 3.409 N/A VAL 321.A N ILE 309.A O no hydrogen 3.346 N/A ARG 322.A N ILE 309.A O no hydrogen 3.118 N/A ARG 322.A NE ASN 324.A OD1 no hydrogen 3.130 N/A ARG 322.A NH1 GLN 334.A OE1 no hydrogen 3.185 N/A ARG 322.A NH2 ASN 324.A OD1 no hydrogen 3.390 N/A VAL 323.A N ILE 333.A O no hydrogen 3.087 N/A ASN 324.A N THR 307.A O no hydrogen 2.962 N/A ILE 325.A N GLN 331.A O no hydrogen 2.620 N/A HIS 326.A N ASP 305.A O no hydrogen 3.320 N/A GLN 331.A N ILE 325.A O no hydrogen 2.613 N/A GLN 331.A NE2 VAL 267.A O no hydrogen 3.131 N/A THR 332.A N SER 272.A O no hydrogen 2.892 N/A ILE 333.A N VAL 323.A O no hydrogen 2.711 N/A GLN 334.A N ILE 274.A O no hydrogen 2.930 N/A TYR 335.A N VAL 321.A O no hydrogen 2.636 N/A TYR 335.A OH SER 278.A O no hydrogen 3.141 N/A ILE 336.A N ILE 276.A O no hydrogen 3.255 N/A ARG 337.A NE ASP 340.A OD2 no hydrogen 3.405 N/A ARG 337.A NH2 ASP 340.A OD1 no hydrogen 3.116 N/A ASP 340.A N ARG 337.A O no hydrogen 3.021 N/A VAL 343.A N ASP 340.A O no hydrogen 3.207 N/A LEU 344.A N ALA 341.A O no hydrogen 3.401 N/A ALA 347.A N LEU 344.A O no hydrogen 3.321 N/A GLU 348.A N ASN 273.A O no hydrogen 2.923 N/A LEU 349.A N ASN 273.A O no hydrogen 3.248 N/A VAL 350.A N LEU 371.A O no hydrogen 2.989 N/A VAL 351.A N PHE 275.A O no hydrogen 2.787 N/A ILE 352.A N PHE 373.A O no hydrogen 2.621 N/A ASP 353.A N THR 277.A O no hydrogen 3.009 N/A ALA 355.A N ALA 375.A O no hydrogen 2.529 N/A VAL 363.A N PRO 359.A O no hydrogen 3.109 N/A LYS 364.A N LEU 360.A O no hydrogen 2.908 N/A LYS 365.A N PRO 361.A O no hydrogen 2.911 N/A LEU 366.A N LEU 362.A O no hydrogen 2.893 N/A MET 367.A N VAL 363.A O no hydrogen 3.305 N/A TYR 370.A OH LEU 366.A O no hydrogen 2.270 N/A PHE 373.A N VAL 350.A O no hydrogen 2.982 N/A MET 374.A N VAL 245.A O no hydrogen 3.023 N/A ALA 375.A N ILE 352.A O no hydrogen 3.018 N/A SER 376.A N LEU 247.A O no hydrogen 2.874 N/A THR 377.A N GLU 354.A OE1 no hydrogen 3.141 N/A THR 377.A OG1 GLU 354.A OE1 no hydrogen 3.097 N/A TYR 381.A OH ASN 98.A OD1 no hydrogen 2.373 N/A GLY 383.A N GLY 380.A O no hydrogen 3.286 N/A THR 384.A N THR 377.A O no hydrogen 2.692 N/A THR 384.A OG1 THR 377.A O no hydrogen 3.544 N/A THR 384.A OG1 TYR 470.A O no hydrogen 3.379 N/A GLY 385.A N HIS 469.A O no hydrogen 3.233 N/A ARG 386.A NH2 ASP 564.A OD2 no hydrogen 3.338 N/A SER 387.A OG ALA 467.A O no hydrogen 2.814 N/A SER 389.A N GLY 385.A O no hydrogen 3.422 N/A LEU 390.A N ARG 386.A O no hydrogen 2.894 N/A LYS 391.A N SER 387.A O no hydrogen 2.896 N/A LYS 391.A NZ SER 387.A O no hydrogen 3.337 N/A LEU 392.A N LEU 388.A O no hydrogen 2.927 N/A ILE 393.A N SER 389.A O no hydrogen 2.909 N/A LYS 394.A N LEU 390.A O no hydrogen 2.871 N/A GLN 395.A N LYS 391.A O no hydrogen 2.917 N/A LEU 396.A N LEU 392.A O no hydrogen 2.942 N/A ARG 397.A N ILE 393.A O no hydrogen 2.892 N/A GLU 398.A N LYS 394.A O no hydrogen 2.898 N/A GLN 399.A N GLN 395.A O no hydrogen 2.924 N/A SER 400.A N LEU 396.A O no hydrogen 2.845 N/A SER 400.A OG LEU 396.A O no hydrogen 3.248 N/A ARG 401.A NE LEU 241.A O no hydrogen 3.584 N/A ARG 401.A NH1 TYR 370.A O no hydrogen 2.700 N/A LYS 404.A N THR 244.A O no hydrogen 2.645 N/A ILE 406.A N THR 246.A O no hydrogen 3.210 N/A ARG 413.A NH1 THR 83.A OG1 no hydrogen 2.987 N/A TYR 414.A OH GLU 421.A OE2 no hydrogen 2.965 N/A ALA 415.A N LYS 17.A O no hydrogen 2.810 N/A GLY 417.A N GLN 416.A OE1 no hydrogen 3.356 N/A ASN 419.A ND2 SER 162.A OG no hydrogen 2.725 N/A LYS 422.A N ASP 418.A O no hydrogen 3.203 N/A LYS 422.A NZ GLU 161.A OE1 no hydrogen 2.962 N/A TRP 423.A N ASN 419.A O no hydrogen 3.069 N/A TRP 423.A NE1 SER 156.A OG no hydrogen 3.053 N/A LEU 424.A N VAL 420.A O no hydrogen 2.999 N/A ASN 425.A N LYS 422.A O no hydrogen 3.106 N/A THR 426.A N TRP 423.A O no hydrogen 2.704 N/A THR 426.A OG1 LYS 422.A O no hydrogen 3.545 N/A LEU 427.A N TRP 423.A O no hydrogen 2.877 N/A CYS 429.A N THR 426.A O no hydrogen 3.181 N/A CYS 429.A SG THR 426.A O no hydrogen 3.468 N/A CYS 429.A SG GLN 459.A OE1 no hydrogen 3.414 N/A LEU 430.A N ASN 425.A O no hydrogen 3.269 N/A SER 435.A N ASP 433.A OD1 no hydrogen 2.959 N/A GLN 436.A N ASP 433.A O no hydrogen 3.047 N/A CYS 437.A SG ASP 433.A O no hydrogen 3.143 N/A CYS 437.A SG PRO 434.A O no hydrogen 3.265 N/A GLU 438.A N THR 492.A O no hydrogen 2.926 N/A LEU 440.A N VAL 490.A O no hydrogen 2.865 N/A HIS 441.A N SER 593.A O no hydrogen 2.819 N/A VAL 442.A N LEU 488.A O no hydrogen 2.985 N/A ASN 443.A N LEU 591.A O no hydrogen 2.855 N/A ARG 444.A NH1 ALA 483.A O no hydrogen 3.366 N/A ARG 444.A NH2 ALA 483.A O no hydrogen 2.608 N/A ASP 445.A N ASN 443.A OD1 no hydrogen 2.971 N/A LEU 447.A N ASN 443.A O no hydrogen 3.212 N/A SER 449.A N THR 446.A O no hydrogen 3.202 N/A SER 449.A OG THR 446.A O no hydrogen 2.616 N/A SER 454.A OG THR 446.A O no hydrogen 3.336 N/A GLU 455.A N HIS 451.A O no hydrogen 2.451 N/A LYS 456.A N PRO 452.A O no hydrogen 2.912 N/A PHE 457.A N VAL 453.A O no hydrogen 2.957 N/A LEU 458.A N SER 454.A O no hydrogen 2.879 N/A GLN 459.A N GLU 455.A O no hydrogen 2.916 N/A GLN 459.A NE2 THR 426.A O no hydrogen 3.359 N/A GLN 459.A NE2 GLU 455.A OE2 no hydrogen 3.197 N/A GLN 460.A N LYS 456.A O no hydrogen 2.959 N/A MET 461.A N PHE 457.A O no hydrogen 3.110 N/A VAL 462.A N LEU 458.A O no hydrogen 2.968 N/A ALA 463.A N GLN 459.A O no hydrogen 2.859 N/A LEU 464.A N GLN 460.A O no hydrogen 3.100 N/A TYR 465.A N MET 461.A O no hydrogen 3.130 N/A TYR 465.A OH ARG 558.A O no hydrogen 2.946 N/A VAL 466.A N VAL 462.A O no hydrogen 2.884 N/A ALA 467.A N ALA 463.A O no hydrogen 3.259 N/A ASN 472.A N GLY 383.A O no hydrogen 2.588 N/A SER 473.A OG HIS 469.A NE2 no hydrogen 3.251 N/A SER 473.A OG ASP 476.A OD2 no hydrogen 2.791 N/A LEU 479.A N ASN 475.A O no hydrogen 2.935 N/A MET 480.A N ASP 476.A O no hydrogen 2.869 N/A SER 481.A N LEU 477.A O no hydrogen 2.912 N/A SER 481.A OG ASP 482.A OD1 no hydrogen 2.915 N/A ASP 482.A N GLN 478.A O no hydrogen 2.900 N/A GLU 487.A N VAL 509.A O no hydrogen 2.620 N/A PHE 489.A N ILE 507.A O no hydrogen 2.600 N/A VAL 490.A N LEU 440.A O no hydrogen 2.901 N/A LEU 491.A N CYS 505.A O no hydrogen 2.607 N/A THR 492.A N GLU 438.A O no hydrogen 2.983 N/A THR 492.A OG1 GLY 493.A O no hydrogen 3.246 N/A GLU 497.A N GLU 497.A OE1 no hydrogen 2.827 N/A LEU 504.A N LEU 491.A O no hydrogen 2.922 N/A CYS 505.A SG ALA 560.A O no hydrogen 3.366 N/A VAL 506.A N ALA 560.A O no hydrogen 2.842 N/A ILE 507.A N PHE 489.A O no hydrogen 2.528 N/A GLN 508.A N ARG 558.A O no hydrogen 2.793 N/A VAL 509.A N GLU 487.A O no hydrogen 2.728 N/A SER 510.A N ARG 555.A O no hydrogen 2.732 N/A GLU 512.A N GLY 553.A O no hydrogen 2.676 N/A LYS 514.A N LEU 551.A O no hydrogen 2.440 N/A ILE 515.A N ALA 549.A O no hydrogen 3.281 N/A SER 519.A N SER 516.A OG no hydrogen 3.363 N/A SER 519.A OG GLU 140.A OE1 no hydrogen 3.553 N/A SER 519.A OG GLU 140.A OE2 no hydrogen 2.693 N/A ILE 520.A N SER 516.A O no hydrogen 3.046 N/A LEU 521.A N LYS 517.A O no hydrogen 2.921 N/A LYS 522.A N GLN 518.A O no hydrogen 2.892 N/A SER 523.A N SER 519.A O no hydrogen 2.907 N/A SER 523.A OG GLN 528.A O no hydrogen 3.289 N/A LEU 524.A N ILE 520.A O no hydrogen 2.860 N/A ARG 526.A N SER 523.A O no hydrogen 3.056 N/A GLY 527.A N GLN 528.A OE1 no hydrogen 2.915 N/A GLN 528.A N GLN 528.A OE1 no hydrogen 2.315 N/A GLN 529.A NE2 TRP 537.A O no hydrogen 3.293 N/A LEU 534.A N GLU 512.A OE2 no hydrogen 3.120 N/A LEU 538.A N LEU 534.A O no hydrogen 2.975 N/A VAL 539.A N ILE 535.A O no hydrogen 3.083 N/A SER 540.A N PRO 536.A O no hydrogen 2.915 N/A GLN 541.A N LEU 538.A O no hydrogen 3.272 N/A GLN 542.A N LEU 538.A O no hydrogen 2.889 N/A GLN 542.A NE2 GLN 541.A OE1 no hydrogen 3.283 N/A PHE 543.A N VAL 539.A O no hydrogen 2.910 N/A GLN 544.A NE2 GLN 541.A O no hydrogen 2.859 N/A ASP 546.A N ASP 546.A OD1 no hydrogen 2.347 N/A SER 550.A OG GLU 547.A O no hydrogen 3.006 N/A LEU 551.A N PHE 548.A O no hydrogen 3.112 N/A GLY 553.A N GLU 512.A O no hydrogen 2.685 N/A ALA 554.A N TYR 605.A O no hydrogen 3.152 N/A ARG 555.A N SER 510.A O no hydrogen 2.666 N/A ARG 555.A NE GLU 512.A OE2 no hydrogen 3.163 N/A ILE 556.A N GLY 607.A O no hydrogen 2.874 N/A VAL 557.A N GLN 508.A O no hydrogen 2.879 N/A ARG 558.A N GLN 508.A O no hydrogen 3.506 N/A ARG 558.A NH2 GLN 508.A OE1 no hydrogen 3.113 N/A ALA 560.A N VAL 506.A O no hydrogen 3.045 N/A THR 561.A OG1 LEU 504.A O no hydrogen 2.738 N/A ASN 562.A N LEU 504.A O no hydrogen 3.053 N/A ASN 562.A ND2 PRO 503.A O no hydrogen 3.511 N/A TYR 565.A N ASN 562.A O no hydrogen 2.811 N/A TYR 565.A OH GLU 502.A OE2 no hydrogen 3.415 N/A TYR 570.A OH PRO 432.A O no hydrogen 2.521 N/A LYS 573.A N GLY 569.A O no hydrogen 3.280 N/A ALA 574.A N TYR 570.A O no hydrogen 2.907 N/A LEU 575.A N GLY 571.A O no hydrogen 2.903 N/A GLN 576.A N SER 572.A O no hydrogen 2.896 N/A LEU 577.A N LYS 573.A O no hydrogen 2.909 N/A LEU 578.A N ALA 574.A O no hydrogen 2.906 N/A VAL 579.A N LEU 575.A O no hydrogen 2.910 N/A ASP 580.A N GLN 576.A O no hydrogen 2.896 N/A TYR 581.A N LEU 577.A O no hydrogen 2.887 N/A TYR 582.A N LEU 578.A O no hydrogen 2.933 N/A GLU 583.A N ASP 580.A O no hydrogen 3.180 N/A GLY 584.A N TYR 581.A O no hydrogen 3.359 N/A LYS 585.A N ASP 580.A O no hydrogen 3.065 N/A SER 593.A N HIS 441.A O no hydrogen 2.884 N/A LYS 594.A N GLU 597.A OE2 no hydrogen 3.253 N/A GLU 597.A N LYS 594.A O no hydrogen 3.075 N/A ASP 604.A N SER 552.A O no hydrogen 2.889 N/A VAL 606.A N ARG 647.A O no hydrogen 3.011 N/A GLY 607.A N ALA 554.A O no hydrogen 2.706 N/A VAL 608.A N MET 645.A O no hydrogen 2.862 N/A TYR 610.A N CYS 643.A O no hydrogen 3.024 N/A LEU 612.A N HIS 641.A O no hydrogen 2.792 N/A THR 613.A OG1 LEU 612.A O no hydrogen 2.652 N/A THR 613.A OG1 GLU 640.A OE2 no hydrogen 2.995 N/A HIS 617.A N THR 613.A O no hydrogen 2.660 N/A LYS 618.A N GLN 614.A O no hydrogen 2.908 N/A LYS 618.A NZ GLN 615.A OE1 no hydrogen 2.658 N/A PHE 619.A N GLN 615.A O no hydrogen 2.954 N/A TRP 620.A N LEU 616.A O no hydrogen 2.945 N/A LYS 621.A N HIS 617.A O no hydrogen 2.871 N/A ARG 622.A N LYS 618.A O no hydrogen 2.921 N/A ALA 623.A N PHE 619.A O no hydrogen 2.967 N/A GLN 624.A N LYS 621.A O no hydrogen 2.992 N/A PHE 625.A N TRP 620.A O no hydrogen 3.184 N/A VAL 626.A N ILE 646.A O no hydrogen 3.442 N/A VAL 628.A N VAL 644.A O no hydrogen 2.802 N/A ARG 631.A N THR 642.A O no hydrogen 2.769 N/A ARG 631.A NH1 THR 633.A OG1 no hydrogen 2.381 N/A ASN 635.A N GLU 640.A O no hydrogen 2.973 N/A LEU 637.A N ASP 636.A OD1 no hydrogen 2.951 N/A GLY 639.A N ASN 635.A O no hydrogen 2.586 N/A HIS 641.A ND1 ARG 631.A O no hydrogen 3.054 N/A CYS 643.A N TYR 610.A O no hydrogen 2.869 N/A CYS 643.A SG TYR 629.A O no hydrogen 3.583 N/A VAL 644.A N TYR 629.A O no hydrogen 3.030 N/A MET 645.A N VAL 608.A O no hydrogen 2.896 N/A ILE 646.A N VAL 626.A O no hydrogen 2.979 N/A ARG 647.A N VAL 606.A O no hydrogen 2.714 N/A GLN 650.A NE2 ASP 651.A O no hydrogen 3.165 N/A SER 656.A OG ASP 654.A OD2 no hydrogen 3.459 N/A ALA 660.A N SER 656.A O no hydrogen 3.429 N/A ALA 662.A N LEU 658.A O no hydrogen 2.900 N/A ALA 663.A N GLY 659.A O no hydrogen 2.905 N/A ASP 664.A N ALA 660.A O no hydrogen 2.904 N/A PHE 665.A N PHE 661.A O no hydrogen 2.890 N/A HIS 666.A N ALA 662.A O no hydrogen 2.690 N/A HIS 666.A NE2 GLU 689.A OE2 no hydrogen 2.884 N/A LYS 667.A N ALA 663.A O no hydrogen 3.023 N/A LYS 667.A NZ ASP 664.A OD1 no hydrogen 2.830 N/A ARG 668.A N ASP 664.A O no hydrogen 3.167 N/A ARG 668.A NH2 ASP 664.A OD2 no hydrogen 2.581 N/A PHE 669.A N PHE 665.A O no hydrogen 2.723 N/A LEU 670.A N HIS 666.A O no hydrogen 3.080 N/A LEU 672.A N ARG 668.A O no hydrogen 2.937 N/A LEU 672.A N PHE 669.A O no hydrogen 3.008 N/A SER 674.A N SER 671.A O no hydrogen 3.406 N/A SER 674.A OG LEU 772.A O no hydrogen 2.525 N/A TYR 675.A N LEU 672.A O no hydrogen 2.790 N/A PHE 680.A N PHE 677.A O no hydrogen 2.769 N/A ALA 685.A N PRO 681.A O no hydrogen 3.139 N/A LEU 686.A N SER 682.A O no hydrogen 2.907 N/A THR 687.A N ILE 683.A O no hydrogen 2.920 N/A THR 687.A OG1 ILE 683.A O no hydrogen 3.157 N/A THR 687.A OG1 LEU 684.A O no hydrogen 2.533 N/A ILE 688.A N LEU 684.A O no hydrogen 2.948 N/A GLU 689.A N ALA 685.A O no hydrogen 2.912 N/A GLU 690.A N LEU 686.A O no hydrogen 2.909 N/A SER 691.A N THR 687.A O no hydrogen 2.920 N/A ALA 692.A N ILE 688.A O no hydrogen 2.894 N/A ASN 693.A N GLU 689.A O no hydrogen 2.912 N/A ALA 694.A N GLU 690.A O no hydrogen 2.913 N/A GLY 695.A N SER 691.A O no hydrogen 2.920 N/A ALA 696.A N ALA 692.A O no hydrogen 2.881 N/A MET 697.A N ASN 693.A O no hydrogen 2.941 N/A LEU 698.A N GLY 695.A O no hydrogen 3.245 N/A SER 701.A N ASP 699.A OD1 no hydrogen 3.374 N/A SER 701.A OG ASP 699.A OD1 no hydrogen 3.131 N/A ASN 702.A N ASP 699.A O no hydrogen 3.050 N/A ALA 703.A N PRO 700.A O no hydrogen 3.242 N/A LEU 707.A N GLU 706.A OE1 no hydrogen 2.816 N/A THR 708.A N GLU 711.A OE2 no hydrogen 3.346 N/A LEU 712.A N THR 708.A O no hydrogen 2.901 N/A ASP 713.A N LYS 709.A O no hydrogen 2.912 N/A GLN 714.A N GLU 711.A O no hydrogen 3.185 N/A LEU 715.A N LEU 712.A O no hydrogen 2.985 N/A PHE 716.A N LEU 712.A O no hydrogen 3.091 N/A THR 717.A OG1 ASP 720.A OD1 no hydrogen 2.540 N/A ASP 720.A N THR 717.A OG1 no hydrogen 3.315 N/A HIS 721.A N THR 717.A O no hydrogen 3.108 N/A LYS 722.A N PRO 718.A O no hydrogen 2.920 N/A ARG 723.A N PHE 719.A O no hydrogen 2.892 N/A LEU 724.A N ASP 720.A O no hydrogen 2.923 N/A GLU 725.A N HIS 721.A O no hydrogen 2.893 N/A SER 726.A N LYS 722.A O no hydrogen 2.896 N/A TYR 727.A N ARG 723.A O no hydrogen 2.927 N/A ALA 728.A N LEU 724.A O no hydrogen 2.904 N/A ASN 729.A N GLU 725.A O no hydrogen 3.213 N/A ASN 729.A N SER 726.A O no hydrogen 3.225 N/A GLY 730.A N TYR 727.A O no hydrogen 2.902 N/A LEU 731.A N SER 726.A O no hydrogen 3.294 N/A VAL 736.A N ASP 733.A O no hydrogen 3.242 N/A MET 741.A N LEU 738.A O no hydrogen 3.350 N/A THR 743.A OG1 LEU 740.A O no hydrogen 2.590 N/A ILE 744.A N LEU 740.A O no hydrogen 3.019 N/A ALA 745.A N MET 741.A O no hydrogen 2.904 N/A GLN 746.A N PRO 742.A O no hydrogen 2.891 N/A GLN 746.A NE2 SER 671.A OG no hydrogen 3.413 N/A LEU 747.A N THR 743.A O no hydrogen 2.892 N/A TYR 748.A N ILE 744.A O no hydrogen 2.920 N/A PHE 749.A N ALA 745.A O no hydrogen 2.904 N/A THR 750.A N GLN 746.A O no hydrogen 3.040 N/A GLY 751.A N TYR 748.A O no hydrogen 3.408 N/A ARG 752.A NE GLU 711.A OE2 no hydrogen 3.140 N/A ARG 752.A NH1 THR 705.A OG1 no hydrogen 2.618 N/A ARG 752.A NH2 GLU 711.A OE2 no hydrogen 2.510 N/A LEU 753.A N LEU 747.A O no hydrogen 3.117 N/A ARG 754.A N GLY 751.A O no hydrogen 3.364 N/A ARG 754.A NH1 GLU 689.A OE2 no hydrogen 2.601 N/A ARG 754.A NH2 GLU 689.A OE1 no hydrogen 3.047 N/A ARG 754.A NH2 GLU 689.A OE2 no hydrogen 3.243 N/A VAL 757.A N LEU 753.A O no hydrogen 3.362 N/A LYS 758.A NZ GLU 755.A O no hydrogen 2.583 N/A SER 760.A N GLN 763.A OE1 no hydrogen 3.366 N/A GLN 764.A N SER 760.A O no hydrogen 2.997 N/A GLN 764.A NE2 TYR 748.A OH no hydrogen 2.493 N/A ALA 765.A N GLY 761.A O no hydrogen 2.916 N/A ILE 766.A N LEU 762.A O no hydrogen 2.936 N/A LEU 767.A N GLN 763.A O no hydrogen 2.879 N/A LEU 768.A N GLN 764.A O no hydrogen 2.887 N/A ALA 769.A N ALA 765.A O no hydrogen 2.922 N/A LEU 770.A N ILE 766.A O no hydrogen 2.931 N/A GLY 771.A N LEU 767.A O no hydrogen 2.904 N/A LEU 772.A N LEU 768.A O no hydrogen 2.886 N/A GLN 773.A N LEU 768.A O no hydrogen 3.359 N/A GLN 773.A N ALA 769.A O no hydrogen 2.948 N/A GLN 773.A NE2 PHE 677.A O no hydrogen 3.033 N/A GLN 773.A NE2 PHE 680.A O no hydrogen 2.818 N/A ARG 774.A NH1 SER 674.A OG no hydrogen 2.666 N/A ARG 774.A NH1 LEU 772.A O no hydrogen 3.223 N/A LYS 775.A NZ PHE 680.A O no hydrogen 2.772 N/A LYS 775.A NZ GLU 783.A OE1 no hydrogen 2.606 N/A LYS 775.A NZ GLU 783.A OE2 no hydrogen 2.973 N/A LEU 780.A N ASP 776.A O no hydrogen 3.145 N/A ALA 781.A N ILE 777.A O no hydrogen 2.861 N/A THR 782.A N ASP 778.A O no hydrogen 2.938 N/A THR 782.A OG1 ASP 778.A O no hydrogen 3.373 N/A THR 782.A OG1 THR 779.A O no hydrogen 2.769 N/A GLU 783.A N THR 779.A O no hydrogen 2.933 N/A LEU 784.A N LEU 780.A O no hydrogen 3.032 N/A ASN 785.A N THR 782.A O no hydrogen 3.386 N/A LEU 786.A N ALA 781.A O no hydrogen 3.051 N/A VAL 791.A N PRO 787.A O no hydrogen 3.225 N/A LEU 792.A N GLY 788.A O no hydrogen 3.449 N/A ALA 793.A N SER 789.A O no hydrogen 2.927 N/A ILE 794.A N GLN 790.A O no hydrogen 2.997 N/A PHE 795.A N VAL 791.A O no hydrogen 2.886 N/A MET 796.A N LEU 792.A O no hydrogen 2.828 N/A MET 799.A N PHE 795.A O no hydrogen 3.297 N/A ARG 800.A N MET 796.A O no hydrogen 2.769 N/A LYS 801.A N ILE 798.A O no hydrogen 3.202 N/A LYS 801.A NZ LYS 758.A O no hydrogen 3.387 N/A LYS 801.A NZ GLN 763.A OE1 no hydrogen 3.293 N/A VAL 802.A N ILE 798.A O no hydrogen 3.139 N/A THR 803.A N MET 799.A O no hydrogen 2.817 N/A THR 803.A OG1 LEU 724.A O no hydrogen 3.486 N/A THR 803.A OG1 MET 799.A O no hydrogen 3.112 N/A HIS 805.A N LYS 801.A O no hydrogen 3.251 N/A PHE 806.A N VAL 802.A O no hydrogen 2.898 N/A GLY 807.A N THR 803.A O no hydrogen 2.895 N/A ALA 808.A N GLN 804.A O no hydrogen 2.922 N/A LEU 809.A N HIS 805.A O no hydrogen 2.865 N/A VAL 810.A N PHE 806.A O no hydrogen 2.922 N/A SER 811.A N GLY 807.A O no hydrogen 2.920 N/A SER 811.A OG GLY 807.A O no hydrogen 3.377 N/A SER 811.A OG ALA 808.A O no hydrogen 3.432 N/A GLY 812.A N ALA 808.A O no hydrogen 3.253 N/A