Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qiw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 10.A N LYS 202.A O no hydrogen 3.146 N/A SER 12.A N GLU 15.A OE2 no hydrogen 2.540 N/A ILE 16.A N SER 12.A O no hydrogen 3.247 N/A ARG 17.A N PRO 13.A O no hydrogen 2.932 N/A ARG 17.A NE PRO 13.A O no hydrogen 3.481 N/A LYS 18.A N GLN 14.A O no hydrogen 2.886 N/A MET 19.A N GLU 15.A O no hydrogen 2.651 N/A ALA 21.A N PHE 69.A O no hydrogen 2.917 N/A ILE 24.A N HIS 71.A O no hydrogen 3.155 N/A ASP 28.A N VAL 26.A O no hydrogen 2.887 N/A THR 29.A N ASP 28.A OD1 no hydrogen 3.070 N/A THR 29.A OG1 GLU 229.A OE2 no hydrogen 3.487 N/A TYR 30.A OH SER 223.A OG no hydrogen 2.611 N/A ASP 32.A N GLY 34.A O no hydrogen 3.367 N/A ARG 45.A NE LYS 44.A O no hydrogen 3.300 N/A LEU 46.A N ASP 43.A OD1 no hydrogen 3.459 N/A GLY 47.A N ASP 43.A OD1 no hydrogen 3.243 N/A GLY 52.A N ASP 50.A O no hydrogen 2.515 N/A CYS 55.A SG HIS 68.A NE2 no hydrogen 3.779 N/A THR 57.A N CYS 55.A O no hydrogen 3.177 N/A CYS 58.A N GLU 56.A O no hydrogen 2.360 N/A CYS 58.A SG GLU 56.A O no hydrogen 3.164 N/A CYS 58.A SG HIS 68.A NE2 no hydrogen 2.770 N/A CYS 65.A SG ALA 60.A O no hydrogen 3.156 N/A HIS 68.A N LEU 46.A O no hydrogen 3.321 N/A GLY 70.A N VAL 215.A O no hydrogen 2.963 N/A LEU 74.A N THR 211.A O no hydrogen 3.121 N/A ALA 75.A N ASN 243.A OD1 no hydrogen 3.068 N/A ARG 76.A NE ALA 75.A O no hydrogen 2.819 N/A VAL 78.A N LEU 210.A O no hydrogen 2.900 N/A HIS 80.A N MET 208.A O no hydrogen 3.160 N/A PHE 83.A N HIS 80.A O no hydrogen 3.025 N/A ALA 84.A N VAL 81.A O no hydrogen 3.249 N/A ILE 87.A N PHE 83.A O no hydrogen 2.460 N/A HIS 88.A N ALA 84.A O no hydrogen 2.917 N/A HIS 88.A NE2 PHE 154.A O no hydrogen 2.784 N/A ARG 89.A N LYS 85.A O no hydrogen 2.884 N/A VAL 90.A N THR 86.A O no hydrogen 2.890 N/A LEU 91.A N ILE 87.A O no hydrogen 2.883 N/A GLU 92.A N HIS 88.A O no hydrogen 3.167 N/A SER 93.A N VAL 90.A O no hydrogen 3.226 N/A SER 93.A OG ARG 89.A O no hydrogen 2.757 N/A SER 93.A OG VAL 90.A O no hydrogen 2.780 N/A THR 94.A OG1 ARG 100.A O no hydrogen 2.676 N/A CYS 95.A N ARG 100.A O no hydrogen 3.066 N/A CYS 95.A SG ARG 96.A O no hydrogen 3.004 N/A CYS 98.A SG ARG 96.A O no hydrogen 4.034 N/A GLY 99.A N CYS 95.A O no hydrogen 3.038 N/A ARG 100.A NH2 PRO 143.A O no hydrogen 3.202 N/A LYS 102.A NZ GLU 92.A O no hydrogen 3.476 N/A LYS 102.A NZ ALA 136.A O no hydrogen 2.845 N/A THR 104.A N GLU 107.A OE1 no hydrogen 3.059 N/A THR 104.A OG1 GLU 107.A OE1 no hydrogen 3.409 N/A ILE 108.A N THR 104.A O no hydrogen 3.013 N/A GLU 109.A N ASP 105.A O no hydrogen 2.917 N/A GLU 110.A N GLU 106.A O no hydrogen 2.973 N/A TYR 111.A N GLU 107.A O no hydrogen 2.884 N/A MET 112.A N ILE 108.A O no hydrogen 2.928 N/A LYS 114.A N TYR 111.A O no hydrogen 2.929 N/A PHE 115.A N MET 112.A O no hydrogen 2.831 N/A GLU 116.A N MET 112.A O no hydrogen 2.951 N/A GLY 119.A N GLU 116.A O no hydrogen 3.467 N/A ARG 121.A N MET 118.A O no hydrogen 3.182 N/A ILE 129.A N VAL 125.A O no hydrogen 2.957 N/A LYS 130.A N ASP 126.A O no hydrogen 2.902 N/A GLU 131.A N LYS 127.A O no hydrogen 2.942 N/A ILE 132.A N LEU 128.A O no hydrogen 2.902 N/A HIS 133.A N ILE 129.A O no hydrogen 2.948 N/A LYS 134.A N LYS 130.A O no hydrogen 2.919 N/A LYS 135.A N GLU 131.A O no hydrogen 2.940 N/A ALA 136.A N ILE 132.A O no hydrogen 2.946 N/A ALA 136.A N HIS 133.A O no hydrogen 3.200 N/A LYS 137.A N HIS 133.A O no hydrogen 2.862 N/A ARG 139.A N ALA 136.A O no hydrogen 3.146 N/A HIS 144.A ND1 PRO 143.A O no hydrogen 2.467 N/A LYS 153.A NZ PRO 151.A O no hydrogen 2.691 N/A ARG 156.A N ILE 159.A O no hydrogen 3.075 N/A TYR 160.A OH ALA 84.A O no hydrogen 3.161 N/A GLU 162.A N HIS 174.A O no hydrogen 2.954 N/A LEU 163.A N ILE 152.A O no hydrogen 3.304 N/A LYS 165.A NZ LEU 163.A O no hydrogen 3.247 N/A LYS 165.A NZ ARG 164.A O no hydrogen 2.833 N/A GLU 171.A N ASN 170.A OD1 no hydrogen 2.607 N/A HIS 174.A N GLU 162.A O no hydrogen 2.976 N/A ARG 175.A NH1 ASP 264.A OD1 no hydrogen 3.341 N/A ARG 175.A NH2 ASP 264.A OD1 no hydrogen 3.372 N/A MET 177.A N GLU 180.A OE1 no hydrogen 3.227 N/A VAL 181.A N MET 177.A O no hydrogen 2.830 N/A ARG 182.A N PRO 178.A O no hydrogen 2.909 N/A ARG 182.A NE GLU 206.A O no hydrogen 2.422 N/A ARG 182.A NE VAL 209.A O no hydrogen 2.941 N/A ASP 183.A N SER 179.A O no hydrogen 2.929 N/A ARG 184.A N VAL 181.A O no hydrogen 2.979 N/A LEU 185.A N VAL 181.A O no hydrogen 2.914 N/A LEU 185.A N ARG 182.A O no hydrogen 2.953 N/A GLU 186.A N ARG 182.A O no hydrogen 3.068 N/A ASP 192.A N PRO 189.A O no hydrogen 3.269 N/A LEU 195.A N ASP 192.A O no hydrogen 3.066 N/A LEU 196.A N LEU 193.A O no hydrogen 2.893 N/A HIS 199.A N SER 203.A O no hydrogen 3.155 N/A LYS 202.A NZ GLU 7.A OE1 no hydrogen 2.592 N/A ARG 204.A NE GLU 206.A OE1 no hydrogen 3.045 N/A ARG 204.A NE GLU 206.A OE2 no hydrogen 2.820 N/A ARG 204.A NH1 ILE 188.A O no hydrogen 3.324 N/A ARG 204.A NH1 ASP 190.A OD2 no hydrogen 3.474 N/A ARG 204.A NH2 ILE 188.A O no hydrogen 3.163 N/A ARG 204.A NH2 GLU 206.A OE1 no hydrogen 2.885 N/A ARG 204.A NH2 GLU 206.A OE2 no hydrogen 3.267 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.912 N/A TRP 207.A N ARG 204.A O no hydrogen 3.294 N/A MET 208.A N PRO 205.A O no hydrogen 2.917 N/A VAL 209.A N GLU 206.A O no hydrogen 3.163 N/A LEU 213.A N ILE 72.A O no hydrogen 2.935 N/A VAL 215.A N GLY 70.A O no hydrogen 2.876 N/A MET 220.A N PRO 217.A O no hydrogen 3.284 N/A ARG 221.A N VAL 218.A O no hydrogen 2.994 N/A ARG 221.A NE PRO 216.A O no hydrogen 2.993 N/A ARG 221.A NH2 PRO 216.A O no hydrogen 2.491 N/A SER 223.A OG TYR 30.A OH no hydrogen 2.611 N/A ILE 224.A N ALA 228.A O no hydrogen 3.089 N/A ALA 228.A N ILE 224.A O no hydrogen 3.061 N/A THR 233.A OG1 ASP 230.A O no hydrogen 3.051 N/A HIS 234.A N ASP 230.A O no hydrogen 3.287 N/A LYS 235.A N ASP 231.A O no hydrogen 2.984 N/A LEU 236.A N LEU 232.A O no hydrogen 2.900 N/A VAL 237.A N THR 233.A O no hydrogen 2.894 N/A ASP 238.A N HIS 234.A O no hydrogen 3.015 N/A ILE 239.A N LYS 235.A O no hydrogen 2.930 N/A ILE 240.A N LEU 236.A O no hydrogen 2.918 N/A ARG 241.A N VAL 237.A O no hydrogen 2.909 N/A ILE 242.A N ASP 238.A O no hydrogen 2.971 N/A ASN 243.A N ILE 239.A O no hydrogen 2.906 N/A ASN 243.A ND2 GLU 73.A O no hydrogen 3.686 N/A ASN 244.A N ILE 240.A O no hydrogen 2.924 N/A LEU 246.A N ILE 242.A O no hydrogen 2.892 N/A LYS 247.A N ASN 243.A O no hydrogen 2.949 N/A SER 248.A N ASN 244.A O no hydrogen 2.903 N/A SER 248.A OG ASN 244.A O no hydrogen 2.984 N/A SER 248.A OG ARG 245.A O no hydrogen 2.568 N/A ASN 249.A N ARG 245.A O no hydrogen 2.932 N/A ASN 249.A N LEU 246.A O no hydrogen 3.007 N/A ILE 250.A N LEU 246.A O no hydrogen 2.905 N/A GLU 251.A N LYS 247.A O no hydrogen 3.024 N/A LEU 257.A N PRO 255.A O no hydrogen 2.496 N/A GLU 260.A N GLN 256.A O no hydrogen 2.877 N/A ASP 261.A N LEU 257.A O no hydrogen 2.918 N/A LEU 262.A N ILE 258.A O no hydrogen 2.972 N/A TRP 263.A N ILE 259.A O no hydrogen 2.876 N/A TRP 263.A NE1 PRO 77.A O no hydrogen 2.955 N/A ASP 264.A N GLU 260.A O no hydrogen 2.938 N/A LEU 265.A N ASP 261.A O no hydrogen 2.957 N/A LEU 266.A N LEU 262.A O no hydrogen 2.912 N/A GLN 267.A N TRP 263.A O no hydrogen 2.912 N/A GLN 267.A NE2 ILE 79.A O no hydrogen 3.666 N/A TYR 268.A N ASP 264.A O no hydrogen 2.937 N/A TYR 268.A OH PRO 282.A O no hydrogen 2.551 N/A HIS 269.A N LEU 265.A O no hydrogen 2.976 N/A VAL 270.A N LEU 266.A O no hydrogen 2.951 N/A THR 271.A N GLN 267.A O no hydrogen 2.933 N/A THR 271.A OG1 GLN 267.A O no hydrogen 2.667 N/A THR 272.A N TYR 268.A O no hydrogen 2.915 N/A THR 272.A OG1 TYR 268.A O no hydrogen 3.138 N/A THR 272.A OG1 HIS 269.A O no hydrogen 2.451 N/A TYR 273.A N HIS 269.A O no hydrogen 2.946 N/A ILE 274.A N VAL 270.A O no hydrogen 2.946 N/A ASN 275.A N THR 271.A O no hydrogen 3.173 N/A ASN 276.A N THR 294.A OG1 no hydrogen 3.238 N/A ASN 276.A ND2 ALA 284.A O no hydrogen 3.470 N/A ASN 276.A ND2 LEU 292.A O no hydrogen 2.430 N/A THR 278.A OG1 ASN 275.A O no hydrogen 2.423 N/A ALA 284.A N ASN 276.A OD1 no hydrogen 2.774 N/A HIS 286.A N ARG 290.A O no hydrogen 3.082 N/A SER 288.A N HIS 286.A O no hydrogen 2.425 N/A SER 288.A OG HIS 286.A O no hydrogen 3.530 N/A GLY 289.A N HIS 286.A O no hydrogen 2.945 N/A ARG 290.A N SER 288.A OG no hydrogen 3.418 N/A LEU 292.A N ALA 284.A O no hydrogen 3.309 N/A LYS 293.A N ASP 231.A OD2 no hydrogen 3.179 N/A THR 294.A N GLN 297.A OE1 no hydrogen 3.121 N/A THR 294.A OG1 GLN 297.A OE1 no hydrogen 3.336 N/A GLN 297.A N THR 294.A O no hydrogen 2.959 N/A ARG 298.A N LEU 295.A O no hydrogen 2.812 N/A ARG 298.A NH2 MET 220.A O no hydrogen 2.842 N/A LEU 299.A N LEU 295.A O no hydrogen 3.383 N/A SER 303.A OG PHE 302.A O no hydrogen 2.917 N/A SER 303.A OG HIS 446.A ND1 no hydrogen 2.811 N/A ALA 304.A N LEU 445.A O no hydrogen 2.735 N/A ARG 305.A NH1 GLU 442.A OE1 no hydrogen 2.737 N/A THR 306.A N MET 443.A O no hydrogen 3.242 N/A THR 306.A OG1 ARG 422.A O no hydrogen 2.993 N/A VAL 307.A N THR 306.A OG1 no hydrogen 2.617 N/A ILE 308.A N ASP 441.A O no hydrogen 3.411 N/A SER 309.A N PHE 424.A O no hydrogen 2.761 N/A SER 309.A OG THR 423.A OG1 no hydrogen 3.147 N/A ILE 314.A N ASP 311.A O no hydrogen 3.494 N/A SER 315.A N GLU 318.A OE1 no hydrogen 2.905 N/A SER 315.A OG ASN 317.A OD1 no hydrogen 3.161 N/A SER 315.A OG ASP 616.A OD2 no hydrogen 3.297 N/A ILE 316.A N ASP 616.A OD2 no hydrogen 3.362 N/A ASN 317.A ND2 GLU 462.A OE1 no hydrogen 3.108 N/A GLU 318.A N SER 315.A O no hydrogen 2.902 N/A VAL 319.A N ARG 415.A O no hydrogen 2.786 N/A GLY 320.A N ARG 425.A O no hydrogen 2.869 N/A LEU 323.A N MET 419.A O no hydrogen 2.849 N/A ALA 326.A N PRO 322.A O no hydrogen 3.012 N/A MET 327.A N ALA 324.A O no hydrogen 3.124 N/A GLU 328.A N VAL 325.A O no hydrogen 3.296 N/A LEU 329.A N VAL 325.A O no hydrogen 3.011 N/A THR 330.A OG1 GLU 389.A OE1 no hydrogen 2.988 N/A VAL 331.A N ARG 390.A O no hydrogen 3.169 N/A GLU 333.A N VAL 388.A O no hydrogen 2.939 N/A VAL 335.A N TRP 386.A O no hydrogen 3.299 N/A LEU 343.A N ASN 339.A O no hydrogen 2.924 N/A LYS 344.A N TYR 340.A O no hydrogen 3.290 N/A GLN 345.A N GLU 341.A O no hydrogen 2.986 N/A ARG 346.A N LYS 342.A O no hydrogen 2.782 N/A ARG 346.A NE GLU 393.A OE2 no hydrogen 2.786 N/A ARG 346.A NH2 GLU 393.A OE2 no hydrogen 2.512 N/A VAL 347.A N LEU 343.A O no hydrogen 2.859 N/A LEU 348.A N LYS 344.A O no hydrogen 3.063 N/A ASN 349.A N GLN 345.A O no hydrogen 3.013 N/A ASN 349.A ND2 PRO 355.A O no hydrogen 3.412 N/A GLY 350.A N VAL 347.A O no hydrogen 3.201 N/A ALA 357.A N GLY 350.A O no hydrogen 3.035 N/A ASN 358.A N GLU 389.A O no hydrogen 3.300 N/A ASN 358.A ND2 MET 327.A O no hydrogen 3.046 N/A VAL 360.A N ILE 368.A O no hydrogen 2.895 N/A ILE 361.A N THR 387.A O no hydrogen 2.658 N/A GLU 364.A N ASP 362.A OD1 no hydrogen 2.954 N/A GLY 365.A N ASP 362.A O no hydrogen 2.798 N/A ILE 368.A N VAL 360.A O no hydrogen 2.645 N/A LEU 370.A N ASN 358.A O no hydrogen 2.982 N/A SER 373.A OG GLU 372.A O no hydrogen 2.497 N/A SER 373.A OG ASN 374.A O no hydrogen 3.175 N/A ASN 374.A N GLU 372.A O no hydrogen 3.153 N/A ASN 374.A N SER 373.A OG no hydrogen 2.411 N/A ALA 379.A N GLU 376.A O no hydrogen 2.998 N/A LEU 382.A N GLU 380.A O no hydrogen 2.412 N/A GLY 385.A N VAL 335.A O no hydrogen 3.323 N/A VAL 388.A N GLU 333.A O no hydrogen 2.940 N/A GLU 389.A N TYR 359.A O no hydrogen 3.056 N/A ARG 390.A NE GLU 333.A OE1 no hydrogen 2.635 N/A ARG 390.A NH1 HIS 391.A O no hydrogen 3.291 N/A ARG 390.A NH1 ASP 396.A OD2 no hydrogen 2.895 N/A ARG 390.A NH2 GLU 333.A OE1 no hydrogen 3.340 N/A ARG 390.A NH2 ASP 396.A OD1 no hydrogen 3.026 N/A ARG 390.A NH2 ASP 396.A OD2 no hydrogen 3.341 N/A HIS 391.A N GLY 356.A O no hydrogen 2.906 N/A HIS 391.A NE2 ASN 358.A OD1 no hydrogen 2.857 N/A LEU 392.A N ALA 326.A O no hydrogen 2.976 N/A GLU 393.A N ASP 396.A OD2 no hydrogen 3.000 N/A GLY 395.A N VAL 416.A O no hydrogen 2.520 N/A ASP 396.A N GLU 393.A O no hydrogen 3.271 N/A VAL 398.A N HIS 414.A O no hydrogen 3.012 N/A LEU 399.A N HIS 446.A O no hydrogen 3.232 N/A PHE 400.A N MET 412.A O no hydrogen 2.784 N/A ASN 401.A N ASN 444.A O no hydrogen 3.012 N/A ARG 402.A N SER 410.A O no hydrogen 3.472 N/A SER 405.A OG ASN 401.A OD1 no hydrogen 3.548 N/A HIS 407.A NE2 PRO 433.A O no hydrogen 2.704 N/A SER 410.A OG HIS 407.A O no hydrogen 3.365 N/A ILE 411.A N ARG 408.A O no hydrogen 3.024 N/A MET 412.A N PHE 400.A O no hydrogen 3.097 N/A ALA 413.A N MET 461.A O no hydrogen 2.691 N/A HIS 414.A N VAL 398.A O no hydrogen 2.460 N/A HIS 414.A ND1 GLU 318.A O no hydrogen 3.182 N/A ARG 415.A N ASN 317.A O no hydrogen 2.849 N/A VAL 416.A N ASP 396.A O no hydrogen 3.144 N/A ARG 417.A N VAL 319.A O no hydrogen 2.851 N/A ARG 417.A NH1 MET 313.A O no hydrogen 3.425 N/A ARG 417.A NH1 GLU 318.A OE1 no hydrogen 3.359 N/A VAL 418.A N ASP 394.A OD1 no hydrogen 2.582 N/A MET 419.A N VAL 321.A O no hydrogen 3.037 N/A THR 423.A OG1 SER 309.A OG no hydrogen 3.147 N/A PHE 424.A N VAL 307.A O no hydrogen 2.795 N/A ARG 425.A N GLY 320.A O no hydrogen 2.945 N/A LEU 426.A N SER 309.A O no hydrogen 3.092 N/A ASN 427.A ND2 ASP 311.A O no hydrogen 2.673 N/A VAL 430.A N ASN 427.A O no hydrogen 3.142 N/A CYS 431.A N LEU 428.A O no hydrogen 3.122 N/A CYS 431.A SG LEU 428.A O no hydrogen 3.228 N/A TYR 434.A OH PHE 400.A O no hydrogen 3.347 N/A TYR 434.A OH HIS 414.A NE2 no hydrogen 2.777 N/A ASN 435.A N PRO 432.A O no hydrogen 3.236 N/A ALA 436.A N CYS 431.A O no hydrogen 3.267 N/A GLY 440.A N ASP 439.A OD1 no hydrogen 2.457 N/A MET 443.A N THR 306.A O no hydrogen 2.987 N/A ASN 444.A N ASN 401.A O no hydrogen 2.666 N/A LEU 445.A N ALA 304.A O no hydrogen 2.585 N/A HIS 446.A N LEU 399.A O no hydrogen 2.993 N/A VAL 447.A N PHE 302.A O no hydrogen 3.269 N/A GLN 449.A NE2 THR 330.A O no hydrogen 3.573 N/A GLU 451.A N GLU 451.A OE1 no hydrogen 2.614 N/A GLN 454.A N THR 450.A O no hydrogen 3.165 N/A ALA 455.A N GLU 451.A O no hydrogen 2.966 N/A GLU 456.A N GLU 452.A O no hydrogen 2.993 N/A ALA 457.A N ALA 453.A O no hydrogen 2.992 N/A LYS 458.A N GLN 454.A O no hydrogen 2.896 N/A ILE 459.A N ALA 455.A O no hydrogen 2.675 N/A LEU 460.A N GLU 456.A O no hydrogen 3.042 N/A MET 461.A N ALA 457.A O no hydrogen 2.815 N/A VAL 463.A N ALA 413.A O no hydrogen 3.268 N/A GLN 464.A NE2 VAL 608.A O no hydrogen 3.401 N/A ASN 465.A N GLU 462.A O no hydrogen 3.083 N/A HIS 466.A N VAL 463.A O no hydrogen 2.995 N/A HIS 466.A NE2 LEU 460.A O no hydrogen 3.026 N/A SER 469.A N GLY 474.A O no hydrogen 2.851 N/A SER 469.A OG TYR 472.A O no hydrogen 3.408 N/A GLY 474.A N TYR 472.A O no hydrogen 2.689 N/A LEU 476.A N ILE 467.A O no hydrogen 2.469 N/A ILE 477.A N ILE 467.A O no hydrogen 3.130 N/A SER 485.A N GLN 481.A O no hydrogen 3.135 N/A SER 485.A OG GLN 481.A O no hydrogen 3.201 N/A GLY 486.A N ASP 482.A O no hydrogen 2.604 N/A GLY 487.A N HIS 483.A O no hydrogen 2.961 N/A TYR 488.A N ILE 484.A O no hydrogen 3.104 N/A LEU 489.A N SER 485.A O no hydrogen 3.121 N/A LEU 490.A N GLY 486.A O no hydrogen 3.003 N/A THR 491.A N GLY 487.A O no hydrogen 3.069 N/A THR 491.A N TYR 488.A O no hydrogen 3.135 N/A THR 491.A OG1 GLY 487.A O no hydrogen 2.538 N/A GLU 493.A N GLU 493.A OE2 no hydrogen 2.813 N/A PHE 497.A N TRP 529.A O no hydrogen 2.850 N/A GLU 501.A N THR 498.A O no hydrogen 2.749 N/A VAL 502.A N THR 498.A O no hydrogen 3.190 N/A GLU 503.A N ARG 499.A O no hydrogen 2.915 N/A MET 505.A N GLU 501.A O no hydrogen 3.202 N/A MET 505.A N VAL 502.A O no hydrogen 3.323 N/A LEU 506.A N VAL 502.A O no hydrogen 2.987 N/A PHE 508.A N MET 505.A O no hydrogen 2.876 N/A ALA 509.A N LEU 506.A O no hydrogen 2.962 N/A LEU 528.A N TYR 522.A O no hydrogen 2.714 N/A TRP 529.A N PHE 497.A O no hydrogen 3.090 N/A GLY 531.A N ALA 495.A O no hydrogen 2.696 N/A LYS 532.A NZ THR 491.A O no hydrogen 2.757 N/A LYS 532.A NZ GLU 493.A OE1 no hydrogen 3.570 N/A LYS 532.A NZ GLY 584.A O no hydrogen 3.322 N/A THR 533.A N SER 530.A O no hydrogen 3.037 N/A THR 533.A OG1 SER 530.A O no hydrogen 2.519 N/A ILE 534.A N SER 530.A O no hydrogen 3.236 N/A PHE 535.A N GLY 531.A O no hydrogen 2.946 N/A SER 536.A N LYS 532.A O no hydrogen 2.938 N/A SER 536.A OG LYS 532.A O no hydrogen 2.462 N/A LEU 537.A N ILE 534.A O no hydrogen 3.156 N/A ILE 545.A N ILE 576.A O no hydrogen 2.988 N/A TYR 547.A N VAL 574.A O no hydrogen 3.272 N/A ARG 548.A NH1 CYS 552.A O no hydrogen 3.548 N/A CYS 552.A N ASN 549.A O no hydrogen 3.109 N/A CYS 552.A SG ARG 557.A O no hydrogen 3.460 N/A ASP 553.A N LEU 551.A O no hydrogen 2.558 N/A ARG 557.A N GLU 554.A O no hydrogen 2.715 N/A ARG 557.A NE ASP 553.A OD1 no hydrogen 2.790 N/A TYR 570.A OH ALA 560.A O no hydrogen 2.231 N/A TYR 570.A OH LEU 561.A O no hydrogen 3.153 N/A TYR 575.A N SER 583.A O no hydrogen 2.851 N/A ILE 576.A N ILE 545.A O no hydrogen 2.983 N/A GLN 577.A N LYS 580.A O no hydrogen 2.640 N/A LYS 580.A N GLN 577.A O no hydrogen 2.825 N/A LEU 581.A N SER 536.A OG no hydrogen 2.609 N/A LEU 582.A N TYR 575.A O no hydrogen 2.896 N/A SER 583.A N TYR 575.A O no hydrogen 3.173 N/A VAL 586.A N THR 491.A OG1 no hydrogen 2.517 N/A LYS 588.A N THR 718.A O no hydrogen 3.284 N/A LYS 589.A N ASP 587.A OD1 no hydrogen 2.841 N/A ALA 590.A N ASP 587.A OD1 no hydrogen 3.253 N/A TYR 591.A N ASP 587.A O no hydrogen 2.858 N/A GLU 594.A N PRO 475.A O no hydrogen 3.185 N/A ASP 595.A N ARG 593.A O no hydrogen 2.458 N/A LYS 597.A NZ ALA 590.A O no hydrogen 2.185 N/A LYS 597.A NZ ASP 595.A OD2 no hydrogen 2.883 N/A ILE 602.A N LEU 598.A O no hydrogen 3.079 N/A VAL 603.A N ASP 600.A O no hydrogen 3.204 N/A ARG 604.A N ASP 600.A O no hydrogen 3.250 N/A ARG 604.A NE ASP 600.A OD1 no hydrogen 2.505 N/A ARG 604.A NH1 LYS 846.A O no hydrogen 3.481 N/A ARG 604.A NH2 SER 847.A O no hydrogen 2.487 N/A GLU 605.A N ILE 601.A O no hydrogen 3.117 N/A TYR 606.A N ILE 602.A O no hydrogen 3.261 N/A TYR 606.A OH ASP 542.A OD2 no hydrogen 2.704 N/A TYR 606.A OH GLU 605.A OE1 no hydrogen 3.205 N/A ARG 612.A N VAL 608.A O no hydrogen 3.428 N/A ARG 612.A NE SER 315.A OG no hydrogen 3.413 N/A PHE 614.A N ARG 610.A O no hydrogen 2.892 N/A LEU 615.A N ALA 611.A O no hydrogen 3.030 N/A ASP 616.A N ARG 612.A O no hydrogen 2.737 N/A GLN 617.A N GLN 613.A O no hydrogen 2.955 N/A GLN 617.A NE2 GLN 613.A O no hydrogen 3.344 N/A VAL 618.A N PHE 614.A O no hydrogen 3.280 N/A VAL 618.A N LEU 615.A O no hydrogen 3.225 N/A THR 619.A N LEU 615.A O no hydrogen 3.406 N/A LEU 621.A N GLN 617.A O no hydrogen 3.002 N/A THR 622.A N VAL 618.A O no hydrogen 2.712 N/A THR 622.A OG1 VAL 618.A O no hydrogen 2.979 N/A THR 622.A OG1 THR 619.A O no hydrogen 2.717 N/A ILE 623.A N THR 619.A O no hydrogen 2.710 N/A TRP 624.A N LYS 620.A O no hydrogen 3.291 N/A VAL 625.A N LEU 621.A O no hydrogen 3.411 N/A ILE 626.A N THR 622.A O no hydrogen 3.257 N/A THR 627.A N ILE 623.A O no hydrogen 2.847 N/A THR 627.A OG1 ILE 623.A O no hydrogen 2.813 N/A HIS 628.A N TRP 624.A O no hydrogen 2.822 N/A LYS 629.A N VAL 625.A O no hydrogen 3.115 N/A GLY 630.A N ILE 626.A O no hydrogen 3.107 N/A THR 632.A N HIS 711.A ND1 no hydrogen 2.963 N/A THR 632.A OG1 THR 633.A O no hydrogen 3.471 N/A THR 633.A OG1 ALA 634.A O no hydrogen 3.237 N/A ALA 634.A N ASP 637.A OD1 no hydrogen 2.821 N/A ASP 639.A N ASP 636.A O no hydrogen 3.263 N/A ILE 645.A N PRO 641.A O no hydrogen 3.408 N/A ASP 646.A N GLN 642.A O no hydrogen 2.906 N/A ARG 647.A N GLU 643.A O no hydrogen 3.097 N/A ILE 648.A N ALA 644.A O no hydrogen 2.965 N/A HIS 649.A N ILE 645.A O no hydrogen 2.965 N/A GLU 650.A N ASP 646.A O no hydrogen 3.109 N/A ILE 651.A N ARG 647.A O no hydrogen 3.127 N/A ILE 652.A N ILE 648.A O no hydrogen 2.968 N/A ARG 653.A N HIS 649.A O no hydrogen 3.270 N/A ARG 653.A NE HIS 649.A O no hydrogen 3.357 N/A GLU 654.A N GLU 650.A O no hydrogen 3.187 N/A ALA 655.A N ILE 651.A O no hydrogen 3.129 N/A GLU 656.A N ILE 652.A O no hydrogen 3.078 N/A GLU 657.A N ARG 653.A O no hydrogen 3.113 N/A LYS 658.A N GLU 654.A O no hydrogen 3.095 N/A LYS 658.A NZ GLU 654.A OE1 no hydrogen 3.177 N/A VAL 659.A N ALA 655.A O no hydrogen 3.206 N/A GLN 660.A N GLU 656.A O no hydrogen 3.056 N/A ARG 661.A N GLU 657.A O no hydrogen 3.048 N/A LEU 662.A N LYS 658.A O no hydrogen 3.421 N/A ILE 663.A N VAL 659.A O no hydrogen 2.963 N/A GLU 664.A N GLN 660.A O no hydrogen 2.773 N/A ALA 665.A N ARG 661.A O no hydrogen 3.148 N/A TYR 666.A N LEU 662.A O no hydrogen 3.100 N/A LYS 667.A N ILE 663.A O no hydrogen 2.940 N/A ARG 668.A N GLU 664.A O no hydrogen 3.455 N/A GLY 669.A N TYR 666.A O no hydrogen 3.278 N/A GLU 670.A N ALA 665.A O no hydrogen 3.042 N/A THR 678.A N GLU 681.A OE1 no hydrogen 3.080 N/A THR 682.A N THR 678.A O no hydrogen 2.895 N/A THR 682.A OG1 LEU 679.A O no hydrogen 2.390 N/A LEU 683.A N LEU 679.A O no hydrogen 3.305 N/A GLU 684.A N GLU 680.A O no hydrogen 3.490 N/A SER 685.A N GLU 681.A O no hydrogen 2.829 N/A LYS 686.A N THR 682.A O no hydrogen 2.922 N/A ILE 687.A N LEU 683.A O no hydrogen 3.132 N/A MET 688.A N GLU 684.A O no hydrogen 2.980 N/A ALA 689.A N SER 685.A O no hydrogen 3.188 N/A VAL 690.A N LYS 686.A O no hydrogen 3.005 N/A LEU 691.A N ILE 687.A O no hydrogen 2.826 N/A ALA 692.A N MET 688.A O no hydrogen 2.929 N/A GLU 693.A N ALA 689.A O no hydrogen 2.936 N/A ALA 694.A N VAL 690.A O no hydrogen 3.228 N/A ARG 695.A N LEU 691.A O no hydrogen 2.884 N/A ASP 696.A N ALA 692.A O no hydrogen 3.117 N/A ASN 697.A N GLU 693.A O no hydrogen 3.143 N/A ALA 698.A N ALA 694.A O no hydrogen 2.931 N/A GLY 699.A N ARG 695.A O no hydrogen 3.054 N/A LYS 700.A N ASP 696.A O no hydrogen 2.920 N/A VAL 701.A N ASN 697.A O no hydrogen 3.009 N/A ALA 702.A N ALA 698.A O no hydrogen 3.147 N/A ALA 702.A N GLY 699.A O no hydrogen 2.996 N/A GLU 703.A N GLY 699.A O no hydrogen 3.273 N/A ARG 704.A N VAL 701.A O no hydrogen 3.419 N/A ILE 714.A N ASN 710.A O no hydrogen 3.197 N/A MET 715.A N HIS 711.A O no hydrogen 3.231 N/A ALA 716.A N ALA 712.A O no hydrogen 3.212 N/A LYS 717.A N VAL 713.A O no hydrogen 2.880 N/A LYS 723.A NZ GLY 722.A O no hydrogen 2.792 N/A ASN 726.A N LYS 723.A O no hydrogen 2.937 N/A ILE 727.A N LYS 723.A O no hydrogen 3.337 N/A THR 728.A N ILE 724.A O no hydrogen 3.232 N/A THR 728.A OG1 ILE 724.A O no hydrogen 3.270 N/A MET 730.A N ASN 726.A O no hydrogen 2.980 N/A MET 730.A N ILE 727.A O no hydrogen 3.169 N/A ALA 731.A N ILE 727.A O no hydrogen 3.150 N/A MET 733.A N THR 728.A O no hydrogen 2.865 N/A GLN 736.A NE2 GLN 737.A O no hydrogen 2.893 N/A GLN 736.A NE2 ARG 766.A O no hydrogen 3.270 N/A GLN 737.A N GLY 767.A O no hydrogen 3.267 N/A GLN 737.A NE2 GLY 735.A O no hydrogen 3.688 N/A ILE 739.A N LYS 742.A O no hydrogen 2.858 N/A ARG 740.A N GLU 791.A OE1 no hydrogen 3.171 N/A ARG 743.A NH2 GLU 684.A OE2 no hydrogen 3.412 N/A ARG 751.A N TYR 748.A O no hydrogen 3.282 N/A THR 754.A OG1 THR 754.A O no hydrogen 2.544 N/A GLY 759.A N GLY 750.A O no hydrogen 2.759 N/A ASP 760.A N LYS 757.A O no hydrogen 2.980 N/A GLY 762.A N ASP 760.A OD1 no hydrogen 3.052 N/A ARG 764.A NE GLU 656.A OE2 no hydrogen 3.167 N/A ALA 765.A N GLY 762.A O no hydrogen 3.212 N/A ARG 766.A N GLY 762.A O no hydrogen 3.365 N/A VAL 769.A N GLY 735.A O no hydrogen 3.304 N/A THR 770.A N GLU 781.A OE2 no hydrogen 2.531 N/A THR 770.A OG1 ASN 771.A OD1 no hydrogen 2.284 N/A THR 770.A OG1 GLU 781.A OE2 no hydrogen 3.082 N/A ASN 771.A N GLU 781.A OE2 no hydrogen 3.182 N/A ASN 771.A ND2 GLY 776.A O no hydrogen 3.391 N/A SER 772.A N SER 775.A OG no hydrogen 3.250 N/A SER 772.A OG MET 730.A O no hydrogen 3.044 N/A SER 772.A OG ALA 731.A O no hydrogen 2.503 N/A SER 772.A OG ALA 732.A O no hydrogen 3.378 N/A TYR 773.A OH HIS 785.A NE2 no hydrogen 2.533 N/A LYS 774.A NZ ASP 639.A OD1 no hydrogen 2.654 N/A SER 775.A OG SER 772.A O no hydrogen 3.280 N/A GLY 776.A N SER 772.A O no hydrogen 3.104 N/A THR 778.A N GLU 781.A OE1 no hydrogen 3.085 N/A THR 778.A OG1 GLU 781.A OE1 no hydrogen 3.419 N/A GLU 781.A N THR 778.A OG1 no hydrogen 3.243 N/A TYR 782.A N THR 778.A O no hydrogen 2.738 N/A PHE 783.A N PRO 779.A O no hydrogen 3.326 N/A PHE 784.A N GLN 780.A O no hydrogen 2.819 N/A HIS 785.A N GLU 781.A O no hydrogen 2.764 N/A ALA 786.A N TYR 782.A O no hydrogen 3.172 N/A MET 787.A N PHE 783.A O no hydrogen 2.930 N/A GLY 788.A N PHE 784.A O no hydrogen 2.906 N/A GLY 789.A N ALA 786.A O no hydrogen 3.205 N/A ARG 790.A N ALA 786.A O no hydrogen 3.105 N/A VAL 794.A N ARG 790.A O no hydrogen 3.025 N/A ASP 795.A N GLU 791.A O no hydrogen 2.681 N/A THR 796.A N GLY 792.A O no hydrogen 3.259 N/A THR 796.A OG1 GLY 792.A O no hydrogen 3.272 N/A ALA 797.A N LEU 793.A O no hydrogen 3.370 N/A VAL 798.A N VAL 794.A O no hydrogen 2.821 N/A VAL 798.A N ASP 795.A O no hydrogen 3.050 N/A ARG 799.A N ASP 795.A O no hydrogen 3.017 N/A ALA 801.A N VAL 798.A O no hydrogen 2.931 N/A SER 803.A N ARG 799.A O no hydrogen 2.969 N/A GLY 804.A N THR 800.A O no hydrogen 2.866 N/A TYR 805.A N ALA 801.A O no hydrogen 3.104 N/A MET 806.A N GLN 802.A O no hydrogen 2.888 N/A GLN 807.A N SER 803.A O no hydrogen 2.960 N/A GLN 807.A NE2 LEU 406.A O no hydrogen 3.439 N/A ARG 808.A N GLY 804.A O no hydrogen 2.882 N/A ARG 809.A N TYR 805.A O no hydrogen 2.909 N/A LEU 810.A N MET 806.A O no hydrogen 3.110 N/A ILE 811.A N GLN 807.A O no hydrogen 2.809 N/A ASN 812.A N ARG 808.A O no hydrogen 3.167 N/A ASN 812.A ND2 ARG 808.A O no hydrogen 2.852 N/A ALA 813.A N LEU 810.A O no hydrogen 3.413 N/A LEU 814.A N LEU 810.A O no hydrogen 3.254 N/A GLN 815.A N ILE 811.A O no hydrogen 3.137 N/A LEU 817.A N LEU 814.A O no hydrogen 3.005 N/A ASP 820.A N THR 824.A O no hydrogen 2.735 N/A GLY 823.A N ASP 820.A O no hydrogen 2.777 N/A THR 824.A OG1 ASP 822.A OD1 no hydrogen 3.444 N/A THR 824.A OG1 ASP 822.A OD2 no hydrogen 3.218 N/A VAL 825.A N GLN 834.A O no hydrogen 3.208 N/A ASP 827.A N ILE 831.A O no hydrogen 3.247 N/A THR 829.A N ASP 827.A OD1 no hydrogen 2.804 N/A THR 829.A OG1 ASP 827.A OD1 no hydrogen 2.866 N/A THR 829.A OG1 ASP 827.A OD2 no hydrogen 2.585 N/A GLY 830.A N ASP 827.A O no hydrogen 3.068 N/A VAL 833.A N VAL 825.A O no hydrogen 3.114 N/A GLN 834.A N VAL 825.A O no hydrogen 3.212 N/A GLY 838.A N GLN 834.A OE1 no hydrogen 3.236 N/A GLU 839.A N LYS 836.A O no hydrogen 3.242 N/A ASP 840.A N GLY 838.A O no hydrogen 2.755 N/A ASP 840.A N ASP 840.A OD1 no hydrogen 2.681 N/A LYS 846.A N ASP 843.A O no hydrogen 2.609 N/A TRP 848.A N LYS 851.A O no hydrogen 3.321 N/A GLN 849.A N SER 847.A O no hydrogen 3.059 N/A LYS 851.A N TRP 848.A O no hydrogen 3.230 N/A THR 852.A OG1 ASP 840.A OD2 no hydrogen 3.460 N/A ASP 856.A N ASP 856.A OD1 no hydrogen 2.416 N/A ARG 857.A N ASP 854.A O no hydrogen 3.174 N/A ARG 857.A NH2 THR 544.A O no hydrogen 3.189 N/A VAL 858.A N ASP 854.A O no hydrogen 3.287 N/A ILE 859.A N VAL 855.A O no hydrogen 3.159 N/A ARG 861.A N ARG 857.A O no hydrogen 3.359 N/A THR 862.A OG1 VAL 860.A O no hydrogen 3.291 N/A