Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N SER 23.A OG no hydrogen 3.045 N/A CYS 5.A N VAL 24.A O no hydrogen 3.403 N/A ARG 15.A N ASN 12.A OD1 no hydrogen 2.678 N/A ARG 15.A NE GLU 18.A OE1 no hydrogen 2.592 N/A ARG 15.A NH1 ASP 9.A O no hydrogen 3.248 N/A LEU 16.A N LEU 13.A O no hydrogen 3.051 N/A HIS 17.A NE2 ASP 41.A OD2 no hydrogen 2.738 N/A SER 23.A OG LYS 49.A O no hydrogen 3.121 N/A GLU 26.A N CYS 5.A O no hydrogen 2.958 N/A ILE 31.A N LEU 58.A O no hydrogen 2.965 N/A PHE 35.A N ASN 12.A O no hydrogen 3.142 N/A THR 37.A OG1 PHE 35.A O no hydrogen 2.929 N/A ARG 38.A NH1 GLU 66.A OE2 no hydrogen 2.636 N/A ARG 38.A NH2 GLU 66.A OE2 no hydrogen 3.102 N/A GLU 40.A N ARG 38.A O no hydrogen 2.725 N/A ASP 41.A N ASP 41.A OD1 no hydrogen 2.418 N/A PHE 42.A N ASP 41.A OD1 no hydrogen 2.915 N/A ARG 43.A N PRO 39.A O no hydrogen 3.374 N/A ARG 43.A NH1 PRO 39.A O no hydrogen 3.411 N/A ARG 43.A NH1 GLU 66.A OE1 no hydrogen 2.459 N/A ARG 43.A NH2 GLU 66.A OE1 no hydrogen 2.947 N/A ASP 44.A N ASP 41.A O no hydrogen 3.126 N/A LEU 45.A N ASP 41.A O no hydrogen 2.738 N/A SER 46.A OG ASP 70.A O no hydrogen 2.725 N/A SER 46.A OG LEU 71.A O no hydrogen 3.388 N/A PHE 47.A N LEU 71.A O no hydrogen 2.712 N/A ILE 51.A N SER 23.A O no hydrogen 3.128 N/A THR 54.A OG1 ILE 25.A O no hydrogen 2.275 N/A ARG 61.A N GLU 92.A O no hydrogen 2.484 N/A LEU 65.A N VAL 62.A O no hydrogen 3.235 N/A GLU 66.A N GLY 64.A O no hydrogen 2.994 N/A LYS 69.A NZ ARG 43.A O no hydrogen 3.336 N/A LYS 69.A NZ ASP 44.A OD1 no hydrogen 3.111 N/A ARG 78.A N ILE 53.A O no hydrogen 2.926 N/A ARG 78.A NE THR 54.A OG1 no hydrogen 3.115 N/A ARG 78.A NH2 THR 54.A OG1 no hydrogen 2.756 N/A GLY 79.A N THR 54.A O no hydrogen 2.564 N/A SER 80.A N THR 54.A O no hydrogen 3.099 N/A ARG 81.A N ASP 55.A OD1 no hydrogen 2.542 N/A PHE 83.A N TYR 86.A O no hydrogen 3.127 N/A TYR 86.A N PHE 83.A O no hydrogen 2.863 N/A VAL 89.A N LEU 57.A O no hydrogen 3.374 N/A ILE 90.A N ARG 112.A O no hydrogen 2.558 N/A HIS 95.A NE2 TYR 63.A O no hydrogen 2.558 N/A LYS 97.A N GLU 66.A O no hydrogen 3.212 N/A LYS 97.A NZ GLU 118.A OE2 no hydrogen 2.357 N/A TYR 102.A OH ASP 70.A OD1 no hydrogen 2.541 N/A LEU 103.A N LEU 75.A O no hydrogen 2.213 N/A ASN 105.A ND2 ILE 130.A O no hydrogen 2.970 N/A ILE 106.A N ILE 130.A O no hydrogen 2.994 N/A THR 107.A N ILE 77.A O no hydrogen 2.818 N/A THR 107.A OG1 ASN 105.A OD1 no hydrogen 2.548 N/A SER 110.A N ASN 85.A O no hydrogen 3.491 N/A SER 110.A OG ASP 136.A OD2 no hydrogen 3.317 N/A ARG 112.A N LEU 88.A O no hydrogen 3.413 N/A LYS 115.A NZ GLU 114.A OE1 no hydrogen 2.837 N/A ASN 116.A N ASN 142.A OD1 no hydrogen 2.412 N/A ASN 116.A ND2 ILE 90.A O no hydrogen 2.307 N/A ASN 116.A ND2 ILE 113.A O no hydrogen 2.289 N/A LEU 122.A N ASP 144.A OD2 no hydrogen 2.525 N/A THR 124.A N TYR 121.A O no hydrogen 3.321 N/A THR 124.A OG1 TYR 121.A O no hydrogen 2.822 N/A THR 124.A OG1 CYS 175.A O no hydrogen 2.509 N/A ILE 125.A N LEU 122.A O no hydrogen 3.457 N/A TRP 127.A NE1 LEU 122.A O no hydrogen 3.207 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 3.028 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 3.336 N/A LEU 131.A N TRP 127.A O no hydrogen 3.287 N/A SER 133.A OG LEU 131.A O no hydrogen 3.145 N/A ASN 137.A N SER 133.A O no hydrogen 3.294 N/A ASN 142.A ND2 ILE 113.A O no hydrogen 2.392 N/A ASN 142.A ND2 VAL 140.A O no hydrogen 3.265 N/A LYS 143.A NZ ASN 117.A O no hydrogen 2.962 N/A LYS 143.A NZ GLU 118.A OE1 no hydrogen 3.149 N/A LYS 143.A NZ GLU 148.A OE2 no hydrogen 3.419 N/A ASN 146.A N LYS 143.A O no hydrogen 3.405 N/A GLU 147.A N ASP 144.A O no hydrogen 3.090 N/A GLY 150.A N GLU 98.A OE1 no hydrogen 2.655 N/A THR 155.A N GLU 173.A OE2 no hydrogen 2.711 N/A LYS 159.A NZ THR 160.A O no hydrogen 2.733 N/A LYS 159.A NZ ASN 161.A OD1 no hydrogen 2.666 N/A ASN 161.A N PRO 153.A O no hydrogen 3.034 N/A CYS 162.A SG PRO 153.A O no hydrogen 3.185 N/A CYS 162.A SG ARG 174.A O no hydrogen 3.427 N/A THR 165.A OG1 ASP 126.A OD2 no hydrogen 2.899 N/A ILE 167.A N GLN 170.A O no hydrogen 2.436 N/A GLN 170.A N ILE 167.A O no hydrogen 2.747 N/A VAL 172.A N GLN 170.A O no hydrogen 2.867 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.621 N/A ARG 174.A N PRO 163.A O no hydrogen 2.961 N/A ARG 174.A NH1 THR 124.A O no hydrogen 2.838 N/A ARG 174.A NH2 THR 165.A O no hydrogen 3.355 N/A ARG 174.A NH2 THR 165.A OG1 no hydrogen 2.339 N/A ARG 174.A NH2 VAL 172.A O no hydrogen 2.891 N/A CYS 175.A N THR 124.A O no hydrogen 2.926 N/A CYS 175.A SG THR 177.A O no hydrogen 3.901 N/A TRP 176.A N HIS 180.A O no hydrogen 3.462 N/A THR 177.A OG1 HIS 180.A ND1 no hydrogen 2.381 N/A HIS 178.A N ASP 151.A OD2 no hydrogen 2.853 N/A SER 179.A N THR 177.A OG1 no hydrogen 3.215 N/A SER 179.A OG HIS 178.A ND1 no hydrogen 3.275 N/A HIS 180.A N THR 177.A OG1 no hydrogen 2.882 N/A HIS 180.A ND1 THR 177.A OG1 no hydrogen 2.381 N/A CYS 181.A SG GLN 182.A O no hydrogen 3.871 N/A LYS 183.A NZ VAL 184.A O no hydrogen 3.360 N/A LYS 183.A NZ THR 195.A O no hydrogen 2.399 N/A CYS 185.A SG ASN 208.A OD1 no hydrogen 3.967 N/A CYS 189.A SG HIS 192.A NE2 no hydrogen 2.734 N/A CYS 189.A SG GLY 193.A O no hydrogen 3.203 N/A HIS 192.A ND1 LYS 190.A O no hydrogen 2.634 N/A CYS 194.A N ASN 208.A OD1 no hydrogen 3.096 N/A CYS 194.A SG VAL 184.A O no hydrogen 3.100 N/A CYS 194.A SG THR 195.A O no hydrogen 3.633 N/A THR 195.A N LEU 199.A O no hydrogen 2.864 N/A THR 195.A OG1 GLU 197.A OE1 no hydrogen 2.991 N/A THR 195.A OG1 LEU 199.A O no hydrogen 3.416 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.755 N/A GLY 198.A N THR 195.A O no hydrogen 3.108 N/A LEU 199.A N THR 195.A OG1 no hydrogen 3.212 N/A CYS 200.A SG HIS 192.A NE2 no hydrogen 2.707 N/A CYS 200.A SG CYS 201.A O no hydrogen 3.205 N/A CYS 201.A N GLY 193.A O no hydrogen 3.389 N/A SER 203.A N HIS 202.A ND1 no hydrogen 2.898 N/A CYS 205.A N HIS 202.A O no hydrogen 3.043 N/A CYS 205.A SG GLY 207.A O no hydrogen 3.179 N/A ASN 208.A ND2 ASN 74.A OD1 no hydrogen 2.356 N/A CYS 209.A SG GLN 211.A O no hydrogen 3.145 N/A SER 210.A OG GLN 211.A OE1 no hydrogen 2.532 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 2.780 N/A THR 216.A OG1 ASP 214.A OD2 no hydrogen 3.095 N/A LYS 217.A NZ ASP 214.A OD2 no hydrogen 2.466 N/A LYS 217.A NZ THR 216.A OG1 no hydrogen 2.979 N/A CYS 218.A N PRO 215.A O no hydrogen 3.080 N/A CYS 218.A SG ASP 214.A O no hydrogen 3.279 N/A CYS 221.A SG ARG 222.A O no hydrogen 3.332 N/A ARG 222.A NH1 VAL 231.A O no hydrogen 2.273 N/A ARG 222.A NH2 TYR 238.A OH no hydrogen 2.514 N/A ASN 223.A N GLU 232.A OE2 no hydrogen 3.359 N/A TYR 225.A N ARG 222.A O no hydrogen 3.124 N/A TYR 225.A OH ASP 253.A OD2 no hydrogen 2.385 N/A ARG 229.A NH1 HIS 202.A NE2 no hydrogen 3.309 N/A CYS 230.A SG GLY 228.A O no hydrogen 3.210 N/A GLU 232.A N GLU 204.A OE2 no hydrogen 2.393 N/A CYS 234.A SG GLU 232.A O no hydrogen 3.380 N/A TYR 238.A N PRO 235.A O no hydrogen 2.899 N/A PHE 240.A N ARG 244.A O no hydrogen 3.094 N/A GLN 241.A N ARG 244.A O no hydrogen 2.647 N/A TRP 243.A NE1 SER 191.A OG no hydrogen 2.699 N/A ARG 244.A NH1 CYS 245.A O no hydrogen 2.317 N/A CYS 245.A SG GLU 232.A O no hydrogen 3.068 N/A VAL 246.A N TYR 239.A O no hydrogen 2.818 N/A ASN 247.A N TYR 239.A O no hydrogen 3.358 N/A CYS 251.A SG VAL 270.A O no hydrogen 3.298 N/A ASP 253.A N SER 249.A O no hydrogen 2.865 N/A LEU 254.A N PHE 250.A O no hydrogen 2.909 N/A HIS 255.A N GLN 252.A O no hydrogen 3.179 N/A HIS 256.A N GLN 252.A O no hydrogen 2.882 N/A LYS 257.A N ASP 253.A O no hydrogen 3.472 N/A CYS 258.A SG LEU 254.A O no hydrogen 3.163 N/A CYS 258.A SG HIS 267.A O no hydrogen 3.190 N/A LYS 259.A N HIS 256.A O no hydrogen 3.249 N/A LYS 259.A NZ HIS 256.A ND1 no hydrogen 3.061 N/A SER 261.A N CYS 258.A O no hydrogen 3.269 N/A GLN 264.A N GLN 264.A OE1 no hydrogen 2.735 N/A VAL 270.A N ILE 277.A O no hydrogen 2.728 N/A ASN 273.A ND2 LYS 275.A O no hydrogen 2.886 N/A CYS 276.A SG VAL 270.A O no hydrogen 4.045 N/A ILE 277.A N VAL 270.A O no hydrogen 3.462 N/A CYS 280.A SG GLU 279.A O no hydrogen 3.552 N/A TYR 284.A N PRO 281.A O no hydrogen 2.973 N/A THR 285.A N THR 294.A O no hydrogen 2.385 N/A THR 285.A OG1 MET 286.A O no hydrogen 3.289 N/A THR 285.A OG1 THR 294.A O no hydrogen 3.164 N/A ASN 287.A ND2 THR 294.A OG1 no hydrogen 2.357 N/A SER 289.A N ASN 287.A OD1 no hydrogen 2.970 N/A SER 289.A OG ASN 287.A OD1 no hydrogen 3.051 N/A ASN 290.A N ASN 287.A OD1 no hydrogen 2.881 N/A LEU 292.A N ASN 290.A OD1 no hydrogen 2.809 N/A THR 294.A N THR 285.A O no hydrogen 2.329 N/A THR 294.A OG1 LEU 292.A O no hydrogen 3.452 N/A CYS 296.A N GLY 283.A O no hydrogen 3.184 N/A CYS 296.A SG GLY 298.A O no hydrogen 3.285 N/A CYS 300.A N SER 282.A O no hydrogen 2.744 N/A CYS 304.A SG GLU 321.A O no hydrogen 3.956 N/A CYS 304.A SG GLY 324.A O no hydrogen 3.175 N/A GLU 310.A N LEU 307.A O no hydrogen 3.330 N/A THR 312.A N GLU 310.A OE1 no hydrogen 2.870 N/A THR 312.A OG1 ILE 333.A O no hydrogen 3.154 N/A ILE 313.A N ILE 333.A O no hydrogen 3.007 N/A ASP 314.A N SER 318.A OG no hydrogen 2.323 N/A SER 315.A OG ASP 314.A O no hydrogen 2.527 N/A THR 317.A N SER 315.A O no hydrogen 2.365 N/A THR 317.A OG1 SER 315.A O no hydrogen 3.160 N/A SER 318.A OG ASP 314.A O no hydrogen 2.355 N/A ALA 319.A N VAL 316.A O no hydrogen 2.720 N/A GLN 320.A N THR 317.A O no hydrogen 3.145 N/A LEU 322.A N ALA 319.A O no hydrogen 2.835 N/A THR 326.A OG1 LYS 302.A O no hydrogen 2.573 N/A ILE 328.A N GLU 355.A O no hydrogen 3.251 N/A SER 331.A N GLY 309.A O no hydrogen 2.742 N/A SER 331.A OG GLY 309.A O no hydrogen 2.673 N/A LEU 332.A N TYR 359.A O no hydrogen 2.728 N/A ILE 334.A N LYS 361.A O no hydrogen 2.554 N/A ASN 335.A N ILE 313.A O no hydrogen 3.370 N/A ARG 337.A NH1 ARG 337.A O no hydrogen 2.445 N/A ASN 340.A ND2 GLU 345.A OE2 no hydrogen 2.310 N/A ASN 341.A N GLU 345.A OE1 no hydrogen 2.795 N/A ALA 344.A N ASN 341.A OD1 no hydrogen 2.536 N/A LEU 346.A N LEU 342.A O no hydrogen 2.926 N/A GLU 347.A N LEU 342.A O no hydrogen 3.294 N/A ALA 348.A N ALA 343.A O no hydrogen 3.165 N/A ASN 349.A N LEU 346.A O no hydrogen 3.333 N/A ASN 349.A ND2 ALA 319.A O no hydrogen 2.409 N/A LEU 350.A N LEU 346.A O no hydrogen 2.863 N/A GLY 351.A N GLU 347.A O no hydrogen 2.911 N/A GLU 355.A N THR 326.A O no hydrogen 2.866 N/A ILE 356.A N LEU 379.A O no hydrogen 2.902 N/A SER 357.A N ILE 328.A O no hydrogen 3.026 N/A SER 357.A OG ILE 328.A O no hydrogen 2.618 N/A SER 357.A OG ASN 329.A O no hydrogen 2.412 N/A LEU 360.A N SER 391.A O no hydrogen 2.896 N/A LYS 361.A N LEU 332.A O no hydrogen 2.924 N/A ILE 362.A N TYR 393.A O no hydrogen 2.438 N/A ARG 363.A N ILE 334.A O no hydrogen 2.519 N/A SER 365.A N ASP 396.A O no hydrogen 2.789 N/A SER 365.A OG ASN 397.A OD1 no hydrogen 2.514 N/A TYR 366.A N ILE 336.A O no hydrogen 2.974 N/A ALA 367.A N ILE 336.A O no hydrogen 3.384 N/A SER 370.A OG PHE 508.A O no hydrogen 3.286 N/A LEU 371.A N GLN 402.A O no hydrogen 2.417 N/A SER 372.A OG LEU 403.A O no hydrogen 3.006 N/A PHE 374.A N LEU 371.A O no hydrogen 3.340 N/A ARG 375.A NH1 ASP 405.A OD1 no hydrogen 3.548 N/A LYS 376.A N GLY 351.A O no hydrogen 3.188 N/A ARG 378.A N GLU 354.A O no hydrogen 2.806 N/A ARG 378.A NE GLU 354.A OE2 no hydrogen 2.442 N/A ARG 378.A NH2 GLU 354.A OE2 no hydrogen 2.831 N/A ILE 380.A N THR 412.A O no hydrogen 3.329 N/A ARG 381.A N ILE 356.A O no hydrogen 2.753 N/A ARG 381.A NH1 GLU 355.A OE1 no hydrogen 2.840 N/A ARG 381.A NH2 GLU 355.A OE1 no hydrogen 3.420 N/A GLU 383.A N GLU 383.A OE1 no hydrogen 2.749 N/A TYR 390.A N ILE 387.A O no hydrogen 2.865 N/A TYR 390.A OH ASP 446.A OD2 no hydrogen 2.690 N/A SER 391.A N LYS 417.A O no hydrogen 3.056 N/A SER 391.A OG LYS 417.A O no hydrogen 2.365 N/A PHE 392.A N LYS 417.A O no hydrogen 3.101 N/A TYR 393.A N LEU 360.A O no hydrogen 3.191 N/A ALA 394.A N PHE 419.A O no hydrogen 2.868 N/A LEU 395.A N ILE 362.A O no hydrogen 2.742 N/A ASP 396.A N HIS 421.A O no hydrogen 3.004 N/A ASN 397.A N TYR 422.A O no hydrogen 3.020 N/A ASN 399.A ND2 TYR 366.A O no hydrogen 2.256 N/A ASN 399.A ND2 ASN 399.A O no hydrogen 2.950 N/A LEU 400.A N ASN 397.A O no hydrogen 3.479 N/A ARG 401.A N VAL 369.A O no hydrogen 2.501 N/A GLN 402.A N VAL 369.A O no hydrogen 3.026 N/A LEU 403.A N GLU 430.A OE1 no hydrogen 2.993 N/A TRP 404.A NE1 PHE 374.A O no hydrogen 2.844 N/A LYS 408.A N ASP 405.A O no hydrogen 2.689 N/A HIS 409.A N ASP 405.A O no hydrogen 3.161 N/A THR 412.A N ARG 378.A O no hydrogen 2.671 N/A THR 412.A OG1 VAL 437.A O no hydrogen 2.855 N/A ILE 413.A N SER 438.A O no hydrogen 2.717 N/A THR 414.A OG1 ARG 381.A O no hydrogen 2.463 N/A GLN 415.A N ARG 381.A O no hydrogen 2.957 N/A GLY 416.A N GLN 444.A OE1 no hydrogen 2.552 N/A LYS 417.A NZ GLY 388.A O no hydrogen 2.482 N/A LYS 417.A NZ ASN 389.A O no hydrogen 3.489 N/A HIS 421.A N ALA 394.A O no hydrogen 3.150 N/A TYR 422.A N THR 451.A OG1 no hydrogen 2.804 N/A ASN 423.A N THR 451.A O no hydrogen 2.811 N/A CYS 427.A SG SER 429.A OG no hydrogen 3.594 N/A GLU 430.A N CYS 427.A O no hydrogen 3.108 N/A HIS 432.A N LEU 428.A O no hydrogen 2.947 N/A LYS 433.A N SER 429.A O no hydrogen 2.905 N/A MET 434.A N GLU 430.A O no hydrogen 2.875 N/A GLU 435.A N ILE 431.A O no hydrogen 2.903 N/A GLU 436.A N HIS 432.A O no hydrogen 2.946 N/A VAL 437.A N LYS 433.A O no hydrogen 2.913 N/A SER 438.A N MET 434.A O no hydrogen 2.854 N/A SER 438.A OG MET 434.A O no hydrogen 3.171 N/A SER 438.A OG GLU 435.A O no hydrogen 2.827 N/A GLY 439.A N GLU 436.A O no hydrogen 3.386 N/A THR 440.A OG1 ARG 443.A O no hydrogen 3.292 N/A THR 440.A OG1 GLN 444.A O no hydrogen 2.992 N/A ARG 443.A N LYS 441.A O no hydrogen 2.935 N/A ARG 443.A NH2 ILE 413.A O no hydrogen 3.282 N/A GLN 444.A NE2 THR 440.A OG1 no hydrogen 2.846 N/A GLU 445.A N GLU 445.A OE1 no hydrogen 2.733 N/A LEU 449.A N ASN 452.A OD1 no hydrogen 2.315 N/A LYS 450.A NZ LYS 450.A O no hydrogen 2.316 N/A LYS 450.A NZ ASP 454.A OD1 no hydrogen 3.260 N/A LYS 450.A NZ ASP 454.A OD2 no hydrogen 2.401 N/A ASN 452.A ND2 PHE 420.A O no hydrogen 2.277 N/A ASP 454.A N GLN 455.A OE1 no hydrogen 3.095 N/A GLN 455.A N GLN 455.A OE1 no hydrogen 2.449 N/A SER 457.A OG ASN 460.A OD1 no hydrogen 2.347 N/A CYS 458.A SG SER 429.A OG no hydrogen 3.696 N/A LEU 463.A N LYS 571.A O no hydrogen 3.225 N/A SER 466.A OG ARG 478.A O no hydrogen 2.748 N/A THR 470.A OG1 SER 471.A O no hydrogen 2.784 N/A SER 471.A N LYS 474.A O no hydrogen 3.300 N/A ILE 475.A N MET 543.A O no hydrogen 3.235 N/A LEU 476.A N ARG 469.A O no hydrogen 3.246 N/A TRP 479.A N PRO 539.A O no hydrogen 3.311 N/A GLU 480.A N LYS 464.A O no hydrogen 3.234 N/A ASP 489.A N ASP 486.A O no hydrogen 2.982 N/A LEU 490.A N PHE 487.A O no hydrogen 3.220 N/A LEU 491.A N LEU 558.A O no hydrogen 3.098 N/A PHE 493.A N ILE 524.A O no hydrogen 2.977 N/A MET 494.A N LYS 556.A O no hydrogen 2.662 N/A LEU 495.A N VAL 522.A O no hydrogen 2.834 N/A PHE 496.A N PHE 555.A O no hydrogen 2.647 N/A TYR 497.A N THR 520.A O no hydrogen 3.069 N/A LYS 498.A N ALA 553.A O no hydrogen 2.837 N/A ASN 504.A N TYR 502.A O no hydrogen 2.780 N/A THR 506.A N ASP 509.A OD2 no hydrogen 2.859 N/A GLY 510.A N ASP 509.A OD1 no hydrogen 2.824 N/A GLN 511.A N PHE 508.A O no hydrogen 3.290 N/A ALA 513.A N ALA 367.A O no hydrogen 3.036 N/A CYS 514.A SG GLY 339.A O no hydrogen 3.242 N/A CYS 514.A SG ASP 512.A OD2 no hydrogen 3.451 N/A GLY 515.A N ASP 512.A O no hydrogen 2.984 N/A SER 516.A OG ASP 512.A OD1 no hydrogen 2.674 N/A SER 516.A OG ASP 512.A OD2 no hydrogen 3.055 N/A SER 518.A N GLN 511.A OE1 no hydrogen 2.781 N/A SER 518.A OG GLY 510.A O no hydrogen 2.565 N/A THR 520.A OG1 TYR 497.A O no hydrogen 2.205 N/A VAL 522.A N LEU 495.A O no hydrogen 2.945 N/A ILE 524.A N PHE 493.A O no hydrogen 3.044 N/A SER 530.A N GLN 536.A OE1 no hydrogen 3.263 N/A SER 530.A OG ASN 531.A O no hydrogen 2.917 N/A SER 530.A OG ASN 531.A OD1 no hydrogen 3.483 N/A SER 530.A OG SER 535.A OG no hydrogen 3.217 N/A SER 535.A N ASP 532.A O no hydrogen 2.545 N/A SER 535.A N ASP 532.A OD2 no hydrogen 3.233 N/A SER 535.A OG SER 530.A OG no hydrogen 3.217 N/A SER 535.A OG ASN 531.A O no hydrogen 2.652 N/A SER 535.A OG ASP 532.A O no hydrogen 2.807 N/A GLN 536.A N PRO 533.A O no hydrogen 3.247 N/A GLN 536.A NE2 PRO 533.A O no hydrogen 3.252 N/A HIS 538.A NE2 GLU 480.A OE1 no hydrogen 2.477 N/A TRP 541.A N LEU 477.A O no hydrogen 3.127 N/A MET 543.A N ILE 475.A O no hydrogen 3.133 N/A THR 550.A OG1 GLU 499.A OE2 no hydrogen 2.643 N/A GLN 551.A NE2 ALA 500.A O no hydrogen 3.063 N/A TYR 552.A N VAL 577.A O no hydrogen 2.470 N/A ALA 553.A N LYS 498.A O no hydrogen 3.018 N/A PHE 555.A N PHE 496.A O no hydrogen 2.844 N/A THR 557.A N GLY 569.A O no hydrogen 3.431 N/A LEU 558.A N GLY 492.A O no hydrogen 2.903 N/A SER 562.A OG ARG 565.A O no hydrogen 2.954 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.415 N/A ARG 565.A N SER 562.A OG no hydrogen 3.131 N/A SER 572.A OG ASP 573.A O no hydrogen 3.489 N/A VAL 577.A N TYR 552.A O no hydrogen 3.131 N/A GLN 578.A NE2 TRP 549.A O no hydrogen 2.402 N/A THR 579.A OG1 LYS 547.A O no hydrogen 2.281 N/A THR 582.A N ASN 610.A O no hydrogen 3.151 N/A ASN 583.A N THR 582.A OG1 no hydrogen 2.644 N/A SER 585.A OG VAL 586.A O no hydrogen 3.415 N/A ILE 591.A N LYS 603.A O no hydrogen 2.279 N/A VAL 593.A N ILE 601.A O no hydrogen 2.859 N/A SER 594.A OG ALA 710.A O no hydrogen 3.366 N/A SER 596.A N GLN 599.A O no hydrogen 2.893 N/A SER 597.A N GLU 715.A OE2 no hydrogen 2.538 N/A SER 597.A OG GLU 715.A OE1 no hydrogen 2.788 N/A GLN 599.A N SER 596.A O no hydrogen 2.789 N/A ILE 601.A N VAL 593.A O no hydrogen 3.277 N/A LEU 602.A N SER 675.A OG no hydrogen 2.672 N/A LYS 603.A N ILE 591.A O no hydrogen 2.366 N/A LYS 603.A NZ GLU 674.A OE2 no hydrogen 3.404 N/A TRP 604.A N GLU 674.A OE2 no hydrogen 2.770 N/A SER 607.A OG ASP 608.A OD1 no hydrogen 2.541 N/A ASN 610.A ND2 ASN 583.A O no hydrogen 2.422 N/A THR 614.A N ASN 694.A O no hydrogen 2.499 N/A THR 614.A OG1 ASN 612.A O no hydrogen 2.820 N/A THR 614.A OG1 ASN 694.A O no hydrogen 3.440 N/A LEU 617.A N GLN 691.A O no hydrogen 2.585 N/A VAL 618.A N GLU 668.A O no hydrogen 2.811 N/A PHE 619.A N GLU 689.A O no hydrogen 2.228 N/A TRP 620.A N PRO 666.A O no hydrogen 3.358 N/A ARG 622.A NE ARG 687.A O no hydrogen 3.411 N/A GLU 628.A N GLU 628.A OE1 no hydrogen 2.569 N/A PHE 630.A N SER 627.A O no hydrogen 3.127 N/A LEU 632.A N GLU 628.A O no hydrogen 3.182 N/A TYR 634.A N LEU 632.A O no hydrogen 2.754 N/A LYS 637.A NZ VAL 749.A O no hydrogen 2.384 N/A LYS 642.A NZ LYS 642.A O no hydrogen 2.486 N/A GLU 645.A N LEU 641.A O no hydrogen 2.458 N/A GLU 646.A N LYS 642.A O no hydrogen 2.898 N/A SER 647.A N GLU 643.A O no hydrogen 2.926 N/A SER 648.A N LEU 644.A O no hydrogen 2.923 N/A PHE 649.A N GLU 645.A O no hydrogen 2.828 N/A ARG 650.A N GLU 646.A O no hydrogen 2.943 N/A LYS 651.A N SER 647.A O no hydrogen 2.959 N/A THR 652.A N SER 648.A O no hydrogen 2.830 N/A THR 652.A OG1 SER 648.A O no hydrogen 2.303 N/A PHE 653.A N PHE 649.A O no hydrogen 2.917 N/A GLU 654.A N ARG 650.A O no hydrogen 2.989 N/A ASP 655.A N LYS 651.A O no hydrogen 2.914 N/A TYR 656.A N THR 652.A O no hydrogen 2.885 N/A LEU 657.A N PHE 653.A O no hydrogen 2.900 N/A HIS 658.A N GLU 654.A O no hydrogen 2.953 N/A ASN 659.A N ASP 655.A O no hydrogen 2.991 N/A VAL 660.A N TYR 656.A O no hydrogen 2.943 N/A VAL 660.A N LEU 657.A O no hydrogen 3.199 N/A GLU 668.A N VAL 618.A O no hydrogen 2.976 N/A LYS 669.A NZ ASP 696.A OD1 no hydrogen 2.620 N/A SER 675.A OG LEU 602.A O no hydrogen 2.222 N/A ILE 678.A N ILE 600.A O no hydrogen 2.446 N/A SER 679.A OG SER 597.A O no hydrogen 3.413 N/A SER 679.A OG ILE 678.A O no hydrogen 2.697 N/A ARG 682.A NH2 ASN 745.A OD1 no hydrogen 2.764 N/A PHE 683.A N THR 712.A OG1 no hydrogen 2.555 N/A THR 684.A OG1 ALA 624.A O no hydrogen 3.089 N/A TYR 686.A N THR 684.A O no hydrogen 2.678 N/A ARG 687.A NH1 GLU 621.A O no hydrogen 3.395 N/A ILE 688.A N VAL 708.A O no hydrogen 2.299 N/A GLU 689.A N PHE 619.A O no hydrogen 2.305 N/A LEU 690.A N ALA 706.A O no hydrogen 2.703 N/A GLN 691.A N LEU 617.A O no hydrogen 2.433 N/A CYS 693.A N HIS 615.A O no hydrogen 2.917 N/A CYS 693.A SG HIS 615.A ND1 no hydrogen 3.206 N/A THR 697.A OG1 GLU 699.A OE1 no hydrogen 2.284 N/A GLU 699.A N THR 697.A OG1 no hydrogen 3.334 N/A GLU 700.A N THR 697.A O no hydrogen 2.898 N/A ARG 701.A NH1 ASN 694.A OD1 no hydrogen 2.495 N/A SER 703.A N ALA 692.A O no hydrogen 2.905 N/A SER 703.A OG SER 585.A O no hydrogen 3.156 N/A SER 703.A OG VAL 704.A O no hydrogen 2.698 N/A VAL 708.A N ILE 688.A O no hydrogen 2.478 N/A ARG 711.A NH2 GLU 625.A OE2 no hydrogen 3.468 N/A THR 712.A N THR 684.A O no hydrogen 3.382 N/A MET 713.A N ASN 595.A O no hydrogen 3.112 N/A GLU 715.A N GLU 715.A OE1 no hydrogen 2.578 N/A LYS 717.A NZ PRO 714.A O no hydrogen 2.755 N/A ASP 719.A N ALA 794.A O no hydrogen 2.989 N/A VAL 724.A N GLU 804.A O no hydrogen 3.087 N/A THR 725.A N PRO 723.A O no hydrogen 3.079 N/A HIS 726.A NE2 THR 806.A O no hydrogen 2.960 N/A PHE 729.A N VAL 733.A O no hydrogen 2.602 N/A ASN 732.A ND2 LEU 783.A O no hydrogen 2.484 N/A LEU 736.A N CYS 778.A O no hydrogen 2.834 N/A LYS 742.A N GLU 740.A O no hydrogen 2.713 N/A LYS 742.A NZ GLU 631.A OE1 no hydrogen 2.345 N/A LYS 742.A NZ GLU 631.A OE2 no hydrogen 3.223 N/A ASN 745.A N GLU 743.A O no hydrogen 2.533 N/A ASN 745.A ND2 GLU 743.A OE2 no hydrogen 2.341 N/A VAL 749.A N THR 795.A O no hydrogen 3.239 N/A TYR 751.A OH GLU 740.A OE2 no hydrogen 2.844 N/A VAL 753.A N LEU 765.A O no hydrogen 2.839 N/A SER 754.A N ARG 791.A O no hydrogen 2.932 N/A TYR 755.A N LEU 763.A O no hydrogen 2.695 N/A ARG 756.A N SER 789.A O no hydrogen 2.760 N/A ARG 756.A NE ASP 760.A O no hydrogen 2.422 N/A ARG 756.A NH2 ASP 760.A O no hydrogen 3.165 N/A TYR 758.A N ASN 787.A O no hydrogen 2.724 N/A ASP 760.A N ARG 757.A O no hydrogen 3.384 N/A LEU 763.A N TYR 755.A O no hydrogen 2.973 N/A LEU 765.A N VAL 753.A O no hydrogen 2.801 N/A CYS 766.A SG VAL 767.A O no hydrogen 3.184 N/A SER 768.A N HIS 771.A ND1 no hydrogen 3.101 N/A ARG 769.A NH1 GLU 740.A OE1 no hydrogen 2.298 N/A LYS 770.A NZ ASP 633.A OD1 no hydrogen 3.178 N/A LYS 770.A NZ ASP 633.A OD2 no hydrogen 3.284 N/A HIS 771.A N SER 768.A O no hydrogen 3.151 N/A HIS 771.A N SER 768.A OG no hydrogen 3.301 N/A PHE 772.A N ARG 769.A O no hydrogen 3.077 N/A ALA 773.A N ARG 769.A O no hydrogen 2.901 N/A GLU 775.A N LYS 770.A O no hydrogen 2.347 N/A GLY 777.A N HIS 771.A O no hydrogen 2.291 N/A CYS 778.A N LEU 736.A O no hydrogen 3.280 N/A CYS 778.A SG ARG 779.A O no hydrogen 3.628 N/A ARG 779.A NE HIS 735.A NE2 no hydrogen 3.015 N/A ARG 779.A NH2 HIS 735.A NE2 no hydrogen 3.162 N/A ARG 781.A NH2 ARG 779.A O no hydrogen 2.615 N/A SER 784.A OG TYR 788.A OH no hydrogen 3.295 N/A TYR 788.A N PHE 808.A O no hydrogen 3.252 N/A TYR 788.A OH SER 784.A OG no hydrogen 3.295 N/A SER 789.A N ARG 756.A O no hydrogen 2.740 N/A SER 789.A OG ARG 756.A O no hydrogen 2.802 N/A ARG 791.A N SER 754.A O no hydrogen 2.493 N/A ARG 793.A NH2 SER 754.A OG no hydrogen 2.601 N/A SER 796.A N LYS 717.A O no hydrogen 2.601 N/A SER 796.A OG ALA 716.A O no hydrogen 2.244 N/A THR 803.A N SER 801.A O no hydrogen 2.909 N/A THR 803.A OG1 ILE 792.A O no hydrogen 2.907 N/A THR 803.A OG1 SER 801.A O no hydrogen 3.487 N/A THR 811.A OG1 GLU 730.A O no hydrogen 3.411 N/A