Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gmk_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N GLU 1.A O no hydrogen 2.756 N/A GLN 18.A NE2 THR 22.A OG1 no hydrogen 3.116 N/A THR 22.A N SER 19.A O no hydrogen 3.047 N/A THR 22.A OG1 SER 19.A O no hydrogen 3.161 N/A THR 38.A N LEU 34.A O no hydrogen 3.289 N/A ILE 39.A N ASN 114.A O no hydrogen 3.254 N/A THR 41.A N ARG 463.A O no hydrogen 2.944 N/A THR 41.A OG1 ARG 463.A O no hydrogen 3.125 N/A ASN 53.A N THR 50.A O no hydrogen 2.892 N/A ARG 54.A NH2 PRO 48.A O no hydrogen 3.323 N/A ARG 54.A NH2 TYR 464.A OH no hydrogen 2.593 N/A LEU 58.A N ARG 54.A O no hydrogen 2.976 N/A SER 59.A N ASP 55.A O no hydrogen 3.406 N/A MET 60.A N MET 57.A O no hydrogen 2.673 N/A ALA 61.A N LEU 58.A O no hydrogen 3.122 N/A ASN 62.A N SER 59.A O no hydrogen 3.083 N/A ILE 63.A N MET 60.A O no hydrogen 3.062 N/A ARG 66.A N ILE 63.A O no hydrogen 3.265 N/A ILE 68.A N MET 143.A O no hydrogen 2.916 N/A ASN 69.A ND2 GLY 474.A O no hydrogen 3.624 N/A VAL 70.A N ASN 145.A O no hydrogen 2.919 N/A GLY 71.A N LEU 168.A O no hydrogen 2.937 N/A VAL 72.A N LEU 147.A O no hydrogen 2.903 N/A ILE 73.A N LEU 170.A O no hydrogen 2.897 N/A SER 78.A N PRO 75.A O no hydrogen 3.243 N/A SER 78.A OG PRO 75.A O no hydrogen 2.960 N/A LYS 80.A NZ GLY 74.A O no hydrogen 2.397 N/A LYS 80.A NZ SER 78.A OG no hydrogen 2.932 N/A THR 81.A OG1 SER 124.A OG no hydrogen 3.084 N/A THR 81.A OG1 ASP 148.A OD2 no hydrogen 2.918 N/A SER 82.A OG GLY 79.A O no hydrogen 2.968 N/A SER 82.A OG THR 250.A OG1 no hydrogen 3.215 N/A LEU 83.A N GLY 79.A O no hydrogen 2.819 N/A LEU 83.A N LYS 80.A O no hydrogen 2.738 N/A MET 84.A N LYS 80.A O no hydrogen 3.002 N/A ASP 85.A N THR 81.A O no hydrogen 2.897 N/A LEU 86.A N SER 82.A O no hydrogen 3.381 N/A LEU 87.A N LEU 83.A O no hydrogen 3.056 N/A VAL 88.A N MET 84.A O no hydrogen 2.905 N/A ILE 89.A N ASP 85.A O no hydrogen 2.914 N/A ASP 90.A N LEU 86.A O no hydrogen 2.960 N/A SER 91.A N LEU 87.A O no hydrogen 2.957 N/A HIS 92.A N VAL 88.A O no hydrogen 2.896 N/A MET 98.A N ILE 95.A O no hydrogen 3.504 N/A VAL 102.A N SER 99.A OG no hydrogen 3.057 N/A GLU 103.A N SER 99.A O no hydrogen 2.947 N/A LYS 116.A N HIS 37.A O no hydrogen 3.390 N/A GLN 117.A NE2 CYS 569.A O no hydrogen 3.486 N/A ILE 119.A N LEU 115.A O no hydrogen 2.833 N/A ASP 120.A N LYS 116.A O no hydrogen 2.937 N/A ARG 121.A N GLN 117.A O no hydrogen 2.892 N/A GLY 122.A N ILE 119.A O no hydrogen 3.227 N/A SER 124.A OG THR 81.A OG1 no hydrogen 3.084 N/A LYS 126.A N GLU 118.A OE2 no hydrogen 2.520 N/A ASN 128.A N ASP 148.A O no hydrogen 2.956 N/A ASN 128.A ND2 LEU 112.A O no hydrogen 3.549 N/A SER 130.A N PHE 146.A O no hydrogen 2.897 N/A LEU 132.A N ILE 144.A O no hydrogen 2.978 N/A CYS 134.A N ARG 142.A O no hydrogen 2.965 N/A CYS 134.A SG ARG 142.A O no hydrogen 4.020 N/A ASP 136.A N LYS 140.A O no hydrogen 2.849 N/A SER 139.A N ASP 136.A O no hydrogen 2.920 N/A ARG 142.A N CYS 134.A O no hydrogen 2.946 N/A ILE 144.A N LEU 132.A O no hydrogen 2.897 N/A ASN 145.A N ILE 68.A O no hydrogen 2.942 N/A ASN 145.A ND2 ASN 69.A OD1 no hydrogen 2.870 N/A PHE 146.A N SER 130.A O no hydrogen 2.862 N/A LEU 147.A N VAL 70.A O no hydrogen 2.955 N/A ASP 148.A N ASN 128.A O no hydrogen 2.912 N/A ALA 149.A N VAL 72.A O no hydrogen 3.231 N/A ASN 154.A N HIS 152.A ND1 no hydrogen 2.937 N/A PHE 155.A N HIS 152.A O no hydrogen 2.771 N/A GLU 158.A N PHE 155.A O no hydrogen 2.649 N/A THR 159.A N MET 156.A O no hydrogen 2.872 N/A THR 159.A OG1 MET 156.A O no hydrogen 2.554 N/A ALA 160.A N MET 156.A O no hydrogen 2.933 N/A LEU 163.A N THR 159.A O no hydrogen 2.891 N/A ALA 164.A N ALA 160.A O no hydrogen 2.909 N/A ALA 165.A N VAL 161.A O no hydrogen 2.901 N/A SER 166.A N ALA 162.A O no hydrogen 3.054 N/A SER 166.A OG ASN 69.A O no hydrogen 2.849 N/A SER 166.A OG LEU 168.A O no hydrogen 2.299 N/A ASP 167.A N ASN 69.A O no hydrogen 2.475 N/A LEU 168.A N ASN 69.A O no hydrogen 2.976 N/A VAL 169.A N ALA 196.A O no hydrogen 2.901 N/A LEU 170.A N GLY 71.A O no hydrogen 2.929 N/A ILE 171.A N CYS 198.A O no hydrogen 2.916 N/A VAL 172.A N ILE 73.A O no hydrogen 2.944 N/A ILE 173.A N VAL 200.A O no hydrogen 2.882 N/A VAL 175.A N ASN 202.A O no hydrogen 3.343 N/A GLY 178.A N ASP 174.A O no hydrogen 2.882 N/A THR 180.A OG1 ASP 768.A OD2 no hydrogen 2.768 N/A THR 180.A OG1 GLU 804.A OE2 no hydrogen 2.821 N/A PHE 181.A N THR 180.A OG1 no hydrogen 2.708 N/A GLU 184.A N THR 180.A O no hydrogen 3.287 N/A GLN 185.A N PHE 181.A O no hydrogen 3.011 N/A LEU 186.A N VAL 182.A O no hydrogen 2.918 N/A ILE 187.A N VAL 183.A O no hydrogen 2.926 N/A LYS 188.A N GLU 184.A O no hydrogen 2.886 N/A GLN 189.A N GLN 185.A O no hydrogen 2.903 N/A SER 190.A N LEU 186.A O no hydrogen 2.928 N/A SER 190.A OG LEU 186.A O no hydrogen 2.675 N/A ILE 191.A N ILE 187.A O no hydrogen 2.939 N/A ASN 193.A N GLN 189.A O no hydrogen 3.190 N/A ASN 193.A N SER 190.A O no hydrogen 3.158 N/A CYS 198.A N VAL 169.A O no hydrogen 2.925 N/A CYS 198.A SG MET 197.A O no hydrogen 3.072 N/A CYS 198.A SG ALA 372.A O no hydrogen 3.515 N/A PHE 199.A N ASN 244.A O no hydrogen 3.045 N/A VAL 200.A N ILE 171.A O no hydrogen 2.951 N/A ILE 201.A N ILE 246.A O no hydrogen 3.016 N/A ASN 202.A N ILE 173.A O no hydrogen 2.845 N/A ASN 202.A ND2 SER 78.A O no hydrogen 2.484 N/A LYS 203.A NZ HIS 77.A O no hydrogen 3.475 N/A LYS 203.A NZ ASP 174.A OD2 no hydrogen 2.539 N/A LEU 207.A N LEU 204.A O no hydrogen 2.922 N/A LEU 209.A N ASP 205.A O no hydrogen 2.886 N/A LYS 212.A N LEU 207.A O no hydrogen 3.079 N/A LYS 212.A N ILE 208.A O no hydrogen 2.966 N/A LYS 212.A NZ ASP 210.A O no hydrogen 3.288 N/A ALA 218.A N PRO 214.A O no hydrogen 3.245 N/A LEU 220.A N MET 216.A O no hydrogen 2.969 N/A LYS 221.A N ASP 217.A O no hydrogen 2.920 N/A LYS 221.A NZ ALA 798.A O no hydrogen 2.643 N/A LEU 222.A N ALA 218.A O no hydrogen 2.872 N/A ASN 223.A N TYR 219.A O no hydrogen 2.907 N/A HIS 224.A N LEU 220.A O no hydrogen 2.913 N/A ILE 225.A N LYS 221.A O no hydrogen 2.896 N/A ILE 226.A N LEU 222.A O no hydrogen 2.886 N/A ALA 227.A N ASN 223.A O no hydrogen 2.904 N/A ASN 228.A N ILE 225.A O no hydrogen 2.390 N/A ILE 229.A N ILE 225.A O no hydrogen 2.818 N/A ASN 230.A N ILE 226.A O no hydrogen 3.390 N/A ASN 230.A ND2 PHE 238.A O no hydrogen 3.397 N/A SER 231.A OG ASN 228.A O no hydrogen 2.278 N/A PHE 232.A N ILE 229.A O no hydrogen 3.133 N/A THR 233.A N ASN 230.A O no hydrogen 3.107 N/A THR 233.A OG1 ILE 229.A O no hydrogen 3.478 N/A ASN 243.A N PRO 240.A O no hydrogen 3.348 N/A ILE 246.A N PHE 199.A O no hydrogen 3.165 N/A PHE 247.A N PHE 256.A O no hydrogen 2.941 N/A ALA 248.A N ILE 201.A O no hydrogen 2.934 N/A SER 249.A N PHE 254.A O no hydrogen 2.886 N/A THR 250.A N ASN 202.A OD1 no hydrogen 3.026 N/A THR 250.A OG1 SER 82.A OG no hydrogen 3.215 N/A GLY 253.A N THR 250.A O no hydrogen 2.480 N/A PHE 254.A N SER 249.A O no hydrogen 2.937 N/A PHE 256.A N PHE 247.A O no hydrogen 2.882 N/A LYS 259.A NZ ASP 371.A OD2 no hydrogen 3.044 N/A PHE 261.A N THR 257.A O no hydrogen 2.998 N/A VAL 262.A N ILE 258.A O no hydrogen 2.938 N/A SER 263.A N LYS 259.A O no hydrogen 2.913 N/A SER 263.A OG LYS 259.A O no hydrogen 3.411 N/A SER 263.A OG GLU 260.A O no hydrogen 2.329 N/A TYR 264.A N GLU 260.A O no hydrogen 2.944 N/A TYR 264.A N PHE 261.A O no hydrogen 3.302 N/A TYR 264.A OH GLU 260.A OE2 no hydrogen 2.598 N/A TYR 266.A OH PHE 310.A O no hydrogen 2.539 N/A HIS 268.A N TYR 265.A O no hydrogen 3.208 N/A LYS 274.A N PRO 271.A O no hydrogen 3.017 N/A ILE 275.A N SER 272.A O no hydrogen 2.919 N/A PHE 278.A N LYS 274.A O no hydrogen 2.711 N/A THR 279.A N ILE 275.A O no hydrogen 3.060 N/A THR 279.A OG1 ILE 275.A O no hydrogen 3.487 N/A THR 279.A OG1 ASP 276.A O no hydrogen 3.216 N/A THR 280.A OG1 ASP 276.A O no hydrogen 3.416 N/A THR 280.A OG1 ASP 277.A O no hydrogen 2.666 N/A ARG 281.A N ASP 277.A O no hydrogen 3.353 N/A ARG 281.A N PHE 278.A O no hydrogen 2.906 N/A LEU 282.A N THR 279.A O no hydrogen 2.885 N/A TYR 287.A N ARG 294.A O no hydrogen 3.271 N/A TYR 287.A OH PRO 297.A O no hydrogen 3.347 N/A HIS 289.A N ASN 292.A O no hydrogen 3.258 N/A LYS 290.A N ASN 292.A OD1 no hydrogen 2.853 N/A GLY 291.A N TYR 288.A OH no hydrogen 3.047 N/A ARG 294.A N TYR 287.A O no hydrogen 3.325 N/A THR 306.A N VAL 286.A O no hydrogen 2.980 N/A THR 306.A OG1 VAL 286.A O no hydrogen 2.554 N/A GLU 309.A N PRO 305.A O no hydrogen 2.877 N/A PHE 310.A N THR 306.A O no hydrogen 2.863 N/A LEU 312.A N PHE 307.A O no hydrogen 3.387 N/A ILE 313.A N VAL 308.A O no hydrogen 2.941 N/A LEU 315.A N ILE 311.A O no hydrogen 2.871 N/A TYR 316.A N LEU 312.A O no hydrogen 2.867 N/A LYS 317.A N ILE 313.A O no hydrogen 2.916 N/A ILE 318.A N PRO 314.A O no hydrogen 2.912 N/A PHE 319.A N LEU 315.A O no hydrogen 2.968 N/A SER 320.A N TYR 316.A O no hydrogen 2.884 N/A TYR 321.A N LYS 317.A O no hydrogen 2.888 N/A ALA 322.A N ILE 318.A O no hydrogen 2.868 N/A LEU 323.A N SER 320.A O no hydrogen 3.339 N/A SER 324.A N SER 320.A O no hydrogen 2.868 N/A MET 325.A N TYR 321.A O no hydrogen 3.116 N/A LEU 330.A N GLU 326.A O no hydrogen 3.179 N/A LYS 331.A N LYS 327.A O no hydrogen 2.923 N/A ASN 332.A N ASP 328.A O no hydrogen 2.954 N/A LEU 333.A N LYS 329.A O no hydrogen 2.889 N/A LEU 334.A N LEU 330.A O no hydrogen 2.985 N/A SER 336.A N ASN 332.A O no hydrogen 2.946 N/A SER 336.A OG ASN 332.A O no hydrogen 3.042 N/A SER 336.A OG LEU 333.A O no hydrogen 3.161 N/A ARG 339.A NH1 ARG 335.A O no hydrogen 3.376 N/A VAL 340.A N LEU 334.A O no hydrogen 3.009 N/A ALA 346.A N SER 343.A OG no hydrogen 3.274 N/A LEU 347.A N SER 343.A O no hydrogen 3.308 N/A GLN 348.A N GLU 345.A O no hydrogen 3.217 N/A PHE 354.A N ASP 350.A O no hydrogen 3.366 N/A LEU 355.A N PRO 351.A O no hydrogen 2.927 N/A LYS 356.A N GLN 352.A O no hydrogen 2.928 N/A HIS 357.A N PRO 353.A O no hydrogen 2.904 N/A VAL 358.A N PHE 354.A O no hydrogen 2.913 N/A LEU 359.A N LEU 355.A O no hydrogen 2.949 N/A GLN 360.A N LYS 356.A O no hydrogen 2.937 N/A LEU 361.A N HIS 357.A O no hydrogen 2.905 N/A ILE 362.A N VAL 358.A O no hydrogen 2.890 N/A PHE 363.A N LEU 359.A O no hydrogen 2.928 N/A GLN 365.A N GLN 365.A OE1 no hydrogen 2.754 N/A THR 367.A OG1 TYR 264.A OH no hydrogen 3.365 N/A ASP 371.A N THR 367.A O no hydrogen 3.037 N/A ALA 372.A N GLY 368.A O no hydrogen 2.887 N/A ILE 373.A N LEU 369.A O no hydrogen 2.905 N/A THR 374.A N VAL 370.A O no hydrogen 2.901 N/A THR 374.A OG1 VAL 370.A O no hydrogen 2.418 N/A ARG 375.A N ASP 371.A O no hydrogen 3.002 N/A CYS 376.A SG MET 197.A O no hydrogen 3.449 N/A CYS 376.A SG ASN 244.A OD1 no hydrogen 3.211 N/A CYS 376.A SG CYS 376.A O no hydrogen 2.954 N/A TYR 377.A N THR 374.A O no hydrogen 3.441 N/A PHE 383.A N PRO 379.A O no hydrogen 2.890 N/A LYS 386.A N LEU 382.A O no hydrogen 2.932 N/A LYS 386.A NZ ALA 165.A O no hydrogen 3.210 N/A LYS 386.A NZ SER 166.A O no hydrogen 3.090 N/A LYS 386.A NZ ASP 167.A OD1 no hydrogen 2.987 N/A THR 387.A N PHE 383.A O no hydrogen 2.928 N/A THR 387.A OG1 PHE 383.A O no hydrogen 2.932 N/A THR 387.A OG1 ASP 384.A O no hydrogen 2.887 N/A ALA 388.A N ASP 384.A O no hydrogen 2.919 N/A HIS 389.A N ASN 385.A O no hydrogen 2.880 N/A LEU 390.A N LYS 386.A O no hydrogen 2.849 N/A SER 391.A N ALA 388.A O no hydrogen 3.339 N/A SER 391.A OG THR 387.A O no hydrogen 2.447 N/A SER 391.A OG ILE 392.A O no hydrogen 3.045 N/A THR 397.A OG1 THR 397.A O no hydrogen 2.317 N/A LEU 402.A N SER 494.A O no hydrogen 3.024 N/A TRP 403.A N SER 424.A O no hydrogen 2.668 N/A ALA 404.A N LEU 492.A O no hydrogen 2.871 N/A HIS 405.A N ARG 421.A O no hydrogen 2.699 N/A VAL 406.A N ALA 490.A O no hydrogen 2.822 N/A LEU 407.A N LEU 419.A O no hydrogen 3.224 N/A THR 409.A OG1 TYR 486.A OH no hydrogen 2.863 N/A VAL 410.A N TRP 417.A O no hydrogen 2.871 N/A TYR 412.A OH ASN 128.A OD1 no hydrogen 3.116 N/A TRP 417.A N VAL 410.A O no hydrogen 2.923 N/A SER 418.A N ILE 479.A O no hydrogen 2.890 N/A SER 418.A OG TYR 486.A OH no hydrogen 2.930 N/A LEU 419.A N LYS 408.A O no hydrogen 2.925 N/A VAL 420.A N VAL 477.A O no hydrogen 2.925 N/A ARG 421.A N HIS 405.A O no hydrogen 2.886 N/A ARG 421.A NH1 ALA 165.A O no hydrogen 2.517 N/A ARG 421.A NH1 ASP 167.A OD1 no hydrogen 2.430 N/A ARG 421.A NH2 ASP 167.A OD1 no hydrogen 2.612 N/A ARG 421.A NH2 ASP 167.A OD2 no hydrogen 2.978 N/A SER 424.A N TRP 403.A O no hydrogen 2.833 N/A SER 424.A OG TYR 423.A O no hydrogen 2.619 N/A LEU 427.A N ALA 471.A O no hydrogen 3.233 N/A ARG 429.A NH2 VAL 468.A O no hydrogen 2.905 N/A GLY 430.A N VAL 454.A O no hydrogen 2.677 N/A VAL 433.A N CYS 452.A O no hydrogen 2.912 N/A ARG 434.A N TYR 493.A O no hydrogen 2.917 N/A LEU 436.A N THR 491.A O no hydrogen 2.881 N/A THR 438.A N SER 489.A O no hydrogen 3.487 N/A THR 438.A OG1 SER 489.A O no hydrogen 3.368 N/A GLN 440.A N ASP 437.A O no hydrogen 2.979 N/A SER 441.A N THR 438.A O no hydrogen 2.925 N/A SER 441.A OG THR 438.A O no hydrogen 2.783 N/A SER 441.A OG PHE 507.A O no hydrogen 2.967 N/A SER 443.A N GLN 440.A O no hydrogen 2.890 N/A SER 443.A OG GLN 440.A O no hydrogen 3.430 N/A ARG 444.A N SER 441.A O no hydrogen 3.389 N/A SER 451.A OG VAL 433.A O no hydrogen 3.527 N/A SER 451.A OG PRO 450.A O no hydrogen 2.738 N/A CYS 452.A N VAL 433.A O no hydrogen 2.970 N/A CYS 452.A SG SER 451.A O no hydrogen 3.050 N/A VAL 454.A N ASP 431.A O no hydrogen 3.105 N/A GLU 455.A N LYS 480.A O no hydrogen 3.186 N/A GLY 458.A N LEU 478.A O no hydrogen 2.918 N/A LEU 459.A N TYR 466.A O no hydrogen 2.852 N/A GLY 461.A N TYR 464.A O no hydrogen 3.326 N/A ARG 463.A NE TYR 111.A O no hydrogen 3.046 N/A ARG 463.A NH2 ARG 110.A O no hydrogen 3.356 N/A TYR 466.A N LEU 459.A O no hydrogen 2.977 N/A VAL 468.A N ILE 457.A O no hydrogen 2.921 N/A GLY 474.A N ILE 422.A O no hydrogen 2.545 N/A VAL 477.A N VAL 420.A O no hydrogen 2.947 N/A LEU 478.A N GLY 458.A O no hydrogen 2.937 N/A ILE 479.A N SER 418.A O no hydrogen 2.903 N/A LYS 480.A N GLU 456.A O no hydrogen 2.941 N/A ALA 485.A N ILE 482.A O no hydrogen 2.974 N/A TYR 486.A OH THR 409.A OG1 no hydrogen 2.863 N/A TYR 486.A OH SER 418.A OG no hydrogen 2.930 N/A LYS 488.A NZ VAL 547.A O no hydrogen 3.267 N/A SER 489.A OG VAL 406.A O no hydrogen 2.832 N/A ALA 490.A N VAL 406.A O no hydrogen 2.908 N/A THR 491.A N LEU 436.A O no hydrogen 2.850 N/A THR 491.A OG1 LEU 436.A O no hydrogen 3.552 N/A LEU 492.A N ALA 404.A O no hydrogen 2.953 N/A TYR 493.A N ARG 434.A O no hydrogen 2.920 N/A SER 494.A N LEU 402.A O no hydrogen 3.050 N/A ASP 500.A N SER 497.A OG no hydrogen 3.265 N/A MET 501.A N SER 497.A O no hydrogen 3.411 N/A GLN 503.A N ASP 500.A O no hydrogen 2.578 N/A LEU 504.A N ASP 500.A O no hydrogen 3.122 N/A LYS 505.A NZ ILE 392.A O no hydrogen 3.157 N/A LYS 505.A NZ GLY 394.A O no hydrogen 2.803 N/A LYS 508.A N LEU 390.A O no hydrogen 3.205 N/A THR 514.A OG1 ASP 157.A OD1 no hydrogen 2.679 N/A PHE 518.A N GLY 561.A O no hydrogen 2.917 N/A LYS 519.A N LEU 589.A O no hydrogen 2.993 N/A ILE 520.A N ILE 559.A O no hydrogen 2.898 N/A LEU 522.A N HIS 557.A O no hydrogen 2.909 N/A GLN 523.A N LYS 584.A O no hydrogen 2.979 N/A GLU 529.A N LEU 526.A O no hydrogen 2.916 N/A LEU 530.A N PRO 527.A O no hydrogen 2.929 N/A LYS 532.A N GLU 529.A O no hydrogen 2.999 N/A LEU 534.A N LEU 530.A O no hydrogen 3.178 N/A ALA 536.A N LYS 532.A O no hydrogen 3.126 N/A ALA 536.A N LEU 533.A O no hydrogen 2.898 N/A LEU 537.A N LEU 533.A O no hydrogen 2.996 N/A ASN 538.A N LEU 534.A O no hydrogen 3.105 N/A ILE 540.A N ALA 536.A O no hydrogen 2.990 N/A SER 541.A N LEU 537.A O no hydrogen 3.163 N/A LYS 542.A NZ SER 483.A O no hydrogen 3.110 N/A TYR 543.A N LYS 539.A O no hydrogen 3.006 N/A TYR 544.A N ILE 540.A O no hydrogen 2.871 N/A TYR 544.A OH ASP 573.A OD2 no hydrogen 2.185 N/A ILE 548.A N LEU 560.A O no hydrogen 2.955 N/A LYS 550.A N VAL 558.A O no hydrogen 2.936 N/A GLU 552.A N GLU 556.A O no hydrogen 3.373 N/A GLY 555.A N GLU 552.A O no hydrogen 3.337 N/A HIS 557.A N LEU 522.A O no hydrogen 2.960 N/A VAL 558.A N LYS 550.A O no hydrogen 2.873 N/A ILE 559.A N ILE 520.A O no hydrogen 2.897 N/A LEU 560.A N ILE 548.A O no hydrogen 2.919 N/A GLY 561.A N PHE 518.A O no hydrogen 2.889 N/A ASN 562.A ND2 ASN 154.A O no hydrogen 2.290 N/A ASN 562.A ND2 ASP 157.A OD2 no hydrogen 2.398 N/A MET 567.A N GLY 563.A O no hydrogen 3.088 N/A ASP 568.A N GLU 564.A O no hydrogen 2.951 N/A CYS 569.A N LEU 565.A O no hydrogen 2.912 N/A CYS 569.A SG LEU 565.A O no hydrogen 3.369 N/A LEU 570.A N TYR 566.A O no hydrogen 2.967 N/A LEU 571.A N MET 567.A O no hydrogen 2.922 N/A TYR 572.A N ASP 568.A O no hydrogen 2.951 N/A ASP 573.A N CYS 569.A O no hydrogen 2.978 N/A LEU 574.A N LEU 570.A O no hydrogen 2.805 N/A ARG 575.A N LEU 571.A O no hydrogen 2.944 N/A ALA 576.A N TYR 572.A O no hydrogen 2.968 N/A SER 577.A N ASP 573.A O no hydrogen 3.102 N/A SER 577.A OG HIS 37.A ND1 no hydrogen 2.746 N/A TYR 578.A N ASP 573.A O no hydrogen 3.222 N/A LYS 580.A NZ SER 577.A O no hydrogen 2.241 N/A LYS 580.A NZ TYR 578.A O no hydrogen 3.536 N/A LYS 584.A N GLN 523.A O no hydrogen 2.851 N/A SER 586.A N VAL 521.A O no hydrogen 3.148 N/A SER 586.A OG ASP 587.A O no hydrogen 3.097 N/A LEU 589.A N LYS 519.A O no hydrogen 3.026 N/A THR 590.A OG1 VAL 517.A O no hydrogen 3.518 N/A THR 590.A OG1 VAL 591.A O no hydrogen 3.314 N/A VAL 591.A N THR 590.A OG1 no hydrogen 2.437 N/A PHE 592.A N GLU 714.A OE1 no hydrogen 2.842 N/A SER 593.A N LEU 761.A O no hydrogen 2.922 N/A SER 593.A OG PHE 592.A O no hydrogen 2.906 N/A GLU 594.A N PRO 715.A O no hydrogen 3.199 N/A SER 595.A N ILE 759.A O no hydrogen 2.931 N/A SER 595.A OG CYS 596.A O no hydrogen 3.226 N/A SER 597.A N ALA 756.A O no hydrogen 3.329 N/A SER 597.A N ILE 757.A O no hydrogen 3.023 N/A ASN 598.A ND2 ALA 615.A O no hydrogen 3.382 N/A GLU 604.A N LEU 609.A O no hydrogen 3.263 N/A GLY 608.A N LEU 606.A O no hydrogen 2.335 N/A SER 610.A OG GLY 602.A O no hydrogen 3.182 N/A SER 612.A N SER 725.A O no hydrogen 3.210 N/A SER 612.A OG ARG 600.A O no hydrogen 2.480 N/A GLU 616.A N GLN 720.A O no hydrogen 2.871 N/A MET 618.A N GLY 718.A O no hydrogen 3.175 N/A ILE 623.A N ASP 619.A O no hydrogen 3.424 N/A GLN 624.A N SER 620.A O no hydrogen 2.888 N/A GLN 624.A NE2 GLN 624.A O no hydrogen 3.480 N/A ASP 625.A N LYS 621.A O no hydrogen 2.910 N/A ASP 625.A N MET 622.A O no hydrogen 2.849 N/A LEU 626.A N MET 622.A O no hydrogen 2.893 N/A LEU 626.A N ILE 623.A O no hydrogen 2.708 N/A SER 627.A N ILE 623.A O no hydrogen 2.922 N/A SER 627.A OG GLN 624.A O no hydrogen 3.380 N/A ASN 636.A N LYS 633.A O no hydrogen 3.172 N/A CYS 637.A SG LEU 638.A O no hydrogen 3.336 N/A CYS 637.A SG TYR 658.A OH no hydrogen 2.412 N/A ASP 639.A N THR 630.A O no hydrogen 2.690 N/A ASP 645.A N GLY 642.A O no hydrogen 2.463 N/A ARG 648.A N ASN 646.A OD1 no hydrogen 2.531 N/A LEU 650.A N ASN 646.A O no hydrogen 2.905 N/A SER 651.A N PRO 647.A O no hydrogen 2.864 N/A SER 651.A OG PRO 647.A O no hydrogen 2.652 N/A SER 651.A OG ARG 648.A O no hydrogen 2.756 N/A LYS 652.A N ARG 648.A O no hydrogen 2.912 N/A ILE 653.A N LYS 649.A O no hydrogen 2.915 N/A LEU 654.A N LEU 650.A O no hydrogen 2.936 N/A ARG 655.A N SER 651.A O no hydrogen 2.887 N/A THR 656.A N LYS 652.A O no hydrogen 2.908 N/A THR 656.A OG1 LYS 652.A O no hydrogen 2.144 N/A GLU 657.A N ILE 653.A O no hydrogen 2.906 N/A TYR 658.A N LEU 654.A O no hydrogen 2.904 N/A LEU 663.A N ASP 661.A OD1 no hydrogen 2.817 N/A SER 665.A N ASP 661.A O no hydrogen 3.284 N/A SER 665.A OG ASP 661.A O no hydrogen 2.378 N/A ASN 667.A N LEU 663.A O no hydrogen 2.951 N/A ASN 667.A ND2 LEU 663.A O no hydrogen 2.490 N/A VAL 668.A N ALA 664.A O no hydrogen 2.837 N/A TRP 669.A N LEU 677.A O no hydrogen 3.378 N/A TYR 672.A N ASN 675.A O no hydrogen 2.689 N/A ASN 675.A N TYR 672.A O no hydrogen 3.201 N/A LEU 677.A N SER 670.A O no hydrogen 2.821 N/A ILE 678.A N TYR 721.A O no hydrogen 2.687 N/A ASN 679.A ND2 ASN 667.A O no hydrogen 3.636 N/A ASP 680.A N LEU 723.A O no hydrogen 2.974 N/A THR 681.A OG1 LEU 724.A O no hydrogen 2.924 N/A ILE 686.A N LEU 682.A O no hydrogen 2.861 N/A SER 687.A N PRO 683.A O no hydrogen 2.254 N/A SER 687.A OG PRO 683.A O no hydrogen 3.245 N/A GLU 689.A N GLU 689.A OE1 no hydrogen 2.592 N/A SER 692.A N PRO 688.A O no hydrogen 2.900 N/A SER 692.A OG PRO 688.A O no hydrogen 3.395 N/A SER 692.A OG GLU 689.A O no hydrogen 2.357 N/A LYS 693.A N GLU 689.A O no hydrogen 2.925 N/A TYR 694.A N LEU 691.A O no hydrogen 2.840 N/A GLN 697.A N TYR 694.A O no hydrogen 2.765 N/A ILE 698.A N TYR 694.A O no hydrogen 2.927 N/A ILE 699.A N LYS 695.A O no hydrogen 2.942 N/A GLY 701.A N GLN 697.A O no hydrogen 2.977 N/A PHE 702.A N ILE 698.A O no hydrogen 2.852 N/A PHE 702.A N ILE 699.A O no hydrogen 3.085 N/A TYR 703.A N ILE 699.A O no hydrogen 2.908 N/A TRP 704.A N GLN 700.A O no hydrogen 2.905 N/A ALA 705.A N PHE 702.A O no hydrogen 3.028 N/A VAL 706.A N PHE 702.A O no hydrogen 2.865 N/A LYS 707.A N TYR 703.A O no hydrogen 2.874 N/A LEU 711.A N GLU 594.A OE1 no hydrogen 3.431 N/A ALA 712.A N GLU 594.A OE2 no hydrogen 2.575 N/A TYR 717.A N GLU 594.A O no hydrogen 2.979 N/A GLY 718.A N GLY 674.A O no hydrogen 2.699 N/A GLN 720.A N GLU 616.A O no hydrogen 2.853 N/A TYR 721.A N VAL 676.A O no hydrogen 3.106 N/A LYS 722.A N ALA 614.A O no hydrogen 2.906 N/A LEU 723.A N ILE 678.A O no hydrogen 2.445 N/A LEU 724.A N SER 612.A O no hydrogen 2.891 N/A SER 725.A N SER 612.A O no hydrogen 3.013 N/A VAL 732.A N PRO 729.A O no hydrogen 3.307 N/A GLN 740.A N VAL 736.A O no hydrogen 2.915 N/A ILE 742.A N SER 739.A O no hydrogen 3.120 N/A MET 745.A N ILE 741.A O no hydrogen 2.738 N/A LYS 746.A N ILE 742.A O no hydrogen 2.911 N/A LYS 746.A NZ GLU 708.A OE1 no hydrogen 2.811 N/A LYS 747.A N PRO 743.A O no hydrogen 2.946 N/A LYS 747.A NZ ASN 605.A OD1 no hydrogen 3.551 N/A ALA 748.A N LEU 744.A O no hydrogen 2.853 N/A CYS 749.A N MET 745.A O no hydrogen 2.905 N/A CYS 749.A N LYS 746.A O no hydrogen 2.637 N/A CYS 749.A SG MET 745.A O no hydrogen 3.323 N/A TYR 750.A N LYS 746.A O no hydrogen 2.962 N/A VAL 751.A N LYS 747.A O no hydrogen 2.892 N/A GLY 752.A N ALA 748.A O no hydrogen 2.880 N/A LEU 753.A N CYS 749.A O no hydrogen 2.942 N/A LEU 754.A N TYR 750.A O no hydrogen 2.890 N/A THR 755.A OG1 VAL 751.A O no hydrogen 3.550 N/A THR 755.A OG1 GLY 752.A O no hydrogen 3.555 N/A ALA 756.A N LEU 753.A O no hydrogen 2.589 N/A ILE 759.A N SER 595.A O no hydrogen 2.887 N/A LEU 761.A N SER 593.A O no hydrogen 2.838 N/A GLU 762.A N ARG 841.A O no hydrogen 2.883 N/A TYR 765.A N VAL 809.A O no hydrogen 2.823 N/A TYR 765.A OH ASN 562.A O no hydrogen 3.196 N/A GLU 766.A N TYR 834.A O no hydrogen 2.943 N/A VAL 767.A N GLY 807.A O no hydrogen 2.876 N/A ASP 768.A N GLN 832.A O no hydrogen 2.963 N/A ILE 769.A N VAL 805.A O no hydrogen 2.951 N/A THR 770.A N MET 830.A O no hydrogen 3.469 N/A VAL 771.A N LEU 803.A O no hydrogen 2.996 N/A LEU 775.A N HIS 772.A O no hydrogen 3.334 N/A LEU 776.A N ALA 773.A O no hydrogen 2.920 N/A VAL 779.A N LEU 775.A O no hydrogen 3.403 N/A GLU 780.A N LEU 776.A O no hydrogen 3.203 N/A GLU 781.A N PRO 777.A O no hydrogen 3.089 N/A LEU 782.A N ILE 778.A O no hydrogen 3.268 N/A MET 783.A N VAL 779.A O no hydrogen 3.268 N/A LYS 784.A N GLU 780.A O no hydrogen 3.082 N/A LYS 785.A N GLU 781.A O no hydrogen 2.958 N/A LYS 785.A N LEU 782.A O no hydrogen 2.924 N/A ARG 786.A N LEU 782.A O no hydrogen 2.912 N/A ARG 786.A N MET 783.A O no hydrogen 2.949 N/A SER 789.A OG ARG 787.A O no hydrogen 2.862 N/A TYR 792.A N ARG 806.A O no hydrogen 2.698 N/A TYR 792.A OH GLN 808.A OE1 no hydrogen 2.783 N/A LYS 793.A N ARG 806.A O no hydrogen 3.032 N/A ILE 795.A N GLU 804.A O no hydrogen 2.891 N/A THR 800.A N VAL 797.A O no hydrogen 3.230 N/A THR 800.A OG1 VAL 797.A O no hydrogen 3.468 N/A LEU 802.A N THR 800.A O no hydrogen 2.781 N/A LEU 803.A N VAL 771.A O no hydrogen 2.836 N/A GLU 804.A N ILE 795.A O no hydrogen 2.959 N/A VAL 805.A N ILE 769.A O no hydrogen 2.884 N/A ARG 806.A N LYS 793.A O no hydrogen 2.882 N/A ARG 806.A NE GLU 804.A OE2 no hydrogen 2.424 N/A ARG 806.A NH2 GLU 804.A OE1 no hydrogen 3.326 N/A ARG 806.A NH2 GLU 804.A OE2 no hydrogen 2.929 N/A GLY 807.A N VAL 767.A O no hydrogen 2.986 N/A GLN 808.A N ARG 790.A O no hydrogen 2.964 N/A VAL 809.A N TYR 765.A O no hydrogen 2.978 N/A SER 814.A N VAL 811.A O no hydrogen 3.106 N/A SER 814.A OG VAL 811.A O no hydrogen 2.597 N/A PHE 817.A N SER 814.A O no hydrogen 3.139 N/A THR 819.A OG1 GLY 816.A O no hydrogen 3.244 N/A ASP 820.A N GLY 816.A O no hydrogen 3.281 N/A LEU 821.A N PHE 817.A O no hydrogen 3.002 N/A ARG 822.A N GLU 818.A O no hydrogen 2.872 N/A ARG 822.A NE GLU 818.A OE2 no hydrogen 2.211 N/A LEU 823.A N THR 819.A O no hydrogen 2.928 N/A SER 824.A N ASP 820.A O no hydrogen 2.953 N/A SER 824.A OG ASP 820.A O no hydrogen 2.996 N/A SER 824.A OG LEU 821.A O no hydrogen 2.788 N/A THR 825.A N LEU 821.A O no hydrogen 3.282 N/A THR 825.A OG1 LEU 821.A O no hydrogen 3.482 N/A THR 825.A OG1 LEU 828.A O no hydrogen 2.056 N/A ASN 826.A N LEU 823.A O no hydrogen 2.603 N/A GLY 827.A N ARG 822.A O no hydrogen 3.094 N/A GLN 832.A N ASP 768.A O no hydrogen 2.904 N/A LYS 838.A NZ ILE 513.A O no hydrogen 3.531 N/A ARG 841.A N GLU 762.A O no hydrogen 2.942 N/A ARG 841.A NH2 GLN 808.A OE1 no hydrogen 3.404 N/A LYS 842.A NZ VAL 843.A O no hydrogen 3.213 N/A LYS 842.A NZ GLY 845.A O no hydrogen 3.073 N/A VAL 843.A N LEU 760.A O no hydrogen 2.938 N/A ASP 851.A N ASP 849.A OD1 no hydrogen 2.885 N/A SER 864.A N PRO 861.A O no hydrogen 3.128 N/A ARG 867.A NH1 VAL 847.A O no hydrogen 3.472 N/A PHE 869.A N LEU 865.A O no hydrogen 3.031 N/A VAL 870.A N SER 866.A O no hydrogen 2.897 N/A MET 871.A N ARG 867.A O no hydrogen 2.910 N/A LYS 872.A N ASP 868.A O no hydrogen 2.889 N/A LYS 872.A N PHE 869.A O no hydrogen 3.318 N/A LYS 872.A NZ ASP 868.A OD1 no hydrogen 2.985 N/A THR 873.A N PHE 869.A O no hydrogen 2.913 N/A THR 873.A OG1 PHE 869.A O no hydrogen 2.956 N/A THR 873.A OG1 VAL 870.A O no hydrogen 3.052 N/A ARG 874.A N VAL 870.A O no hydrogen 2.898 N/A ARG 874.A NH1 LEU 711.A O no hydrogen 3.057 N/A ARG 875.A N LYS 872.A O no hydrogen 2.553 N/A ARG 876.A N LYS 872.A O no hydrogen 2.935 N/A LYS 877.A N THR 873.A O no hydrogen 2.903 N/A GLY 878.A N ARG 874.A O no hydrogen 2.884 N/A