Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxu_UM.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N PHE 554.A O no hydrogen 2.474 N/A ASN 5.A N PHE 554.A O no hydrogen 3.087 N/A ILE 7.A N VAL 552.A O no hydrogen 2.913 N/A ILE 10.A N GLY 281.A O no hydrogen 2.754 N/A TYR 11.A OH GLY 14.A O no hydrogen 2.544 N/A THR 12.A N THR 28.A O no hydrogen 2.710 N/A GLY 14.A N THR 12.A O no hydrogen 3.073 N/A ALA 17.A N ALA 26.A O no hydrogen 3.012 N/A ASN 20.A N PRO 61.A O no hydrogen 3.056 N/A ALA 26.A N ALA 17.A O no hydrogen 3.152 N/A SER 27.A N ILE 34.A O no hydrogen 2.879 N/A LEU 29.A N ASN 32.A O no hydrogen 3.256 N/A ASN 32.A N LEU 29.A O no hydrogen 2.884 N/A ASN 32.A ND2 GLN 48.A O no hydrogen 3.321 N/A ASN 32.A ND2 GLN 48.A OE1 no hydrogen 2.458 N/A ALA 33.A N ILE 47.A O no hydrogen 3.388 N/A ILE 34.A N SER 27.A O no hydrogen 2.932 N/A LEU 35.A N ALA 45.A O no hydrogen 3.301 N/A THR 36.A N LEU 25.A O no hydrogen 2.862 N/A LEU 38.A N ARG 23.A O no hydrogen 2.559 N/A GLY 41.A N GLU 37.A O no hydrogen 3.196 N/A ARG 43.A NH1 GLN 8.A OE1 no hydrogen 3.050 N/A ALA 45.A N LEU 35.A O no hydrogen 3.343 N/A ILE 47.A N ALA 33.A O no hydrogen 3.174 N/A ILE 54.A N GLY 30.A O no hydrogen 3.447 N/A SER 55.A N CYS 69.A O no hydrogen 2.654 N/A SER 55.A OG THR 56.A OG1 no hydrogen 3.210 N/A SER 55.A OG VAL 104.A O no hydrogen 2.629 N/A THR 56.A N CYS 69.A O no hydrogen 2.964 N/A THR 56.A OG1 SER 55.A OG no hydrogen 3.210 N/A THR 56.A OG1 VAL 105.A O no hydrogen 2.846 N/A THR 58.A N ILE 67.A O no hydrogen 2.939 N/A SER 62.A OG SER 113.A OG no hydrogen 2.804 N/A SER 64.A N SER 62.A O no hydrogen 2.558 N/A SER 64.A OG HIS 65.A ND1 no hydrogen 2.568 N/A LEU 66.A N TYR 78.A O no hydrogen 2.860 N/A ILE 67.A N THR 58.A O no hydrogen 2.923 N/A VAL 68.A N ARG 76.A O no hydrogen 2.942 N/A CYS 69.A N THR 56.A O no hydrogen 2.897 N/A SER 70.A OG SER 72.A O no hydrogen 2.525 N/A ARG 71.A N PRO 53.A O no hydrogen 2.647 N/A ARG 71.A NE GLU 52.A OE1 no hydrogen 2.746 N/A ARG 71.A NH1 GLU 52.A OE1 no hydrogen 2.879 N/A ARG 76.A N VAL 68.A O no hydrogen 2.934 N/A ILE 77.A N ARG 95.A O no hydrogen 2.906 N/A TYR 78.A N LEU 66.A O no hydrogen 2.927 N/A SER 79.A N THR 92.A O no hydrogen 2.825 N/A SER 79.A OG THR 92.A O no hydrogen 3.548 N/A LEU 80.A N SER 64.A O no hydrogen 2.878 N/A SER 88.A OG ASP 87.A O no hydrogen 3.022 N/A THR 92.A N SER 79.A O no hydrogen 2.942 N/A VAL 94.A N ILE 77.A O no hydrogen 2.957 N/A THR 97.A N MET 75.A O no hydrogen 2.944 N/A LYS 98.A NZ LEU 73.A O no hydrogen 3.457 N/A THR 102.A OG1 ASP 122.A OD2 no hydrogen 2.853 N/A VAL 105.A N GLY 119.A O no hydrogen 2.888 N/A VAL 106.A N GLY 119.A O no hydrogen 3.034 N/A ALA 108.A N ALA 117.A O no hydrogen 2.937 N/A ASP 110.A N LEU 115.A O no hydrogen 3.355 N/A SER 113.A OG SER 62.A OG no hydrogen 2.804 N/A LEU 116.A N TRP 128.A O no hydrogen 2.918 N/A ALA 117.A N ALA 108.A O no hydrogen 2.857 N/A THR 118.A N LYS 126.A O no hydrogen 2.903 N/A GLY 119.A N VAL 106.A O no hydrogen 2.853 N/A ALA 121.A N THR 102.A OG1 no hydrogen 3.301 N/A ASP 122.A N THR 102.A OG1 no hydrogen 3.251 N/A ALA 124.A N ASP 122.A OD2 no hydrogen 3.133 N/A LYS 126.A N THR 118.A O no hydrogen 2.962 N/A TRP 128.A N LEU 116.A O no hydrogen 2.805 N/A ILE 130.A N THR 114.A O no hydrogen 3.462 N/A ILE 131.A N ASP 129.A OD1 no hydrogen 3.204 N/A THR 136.A N ILE 127.A O no hydrogen 3.075 N/A SER 140.A OG GLY 123.A O no hydrogen 3.192 N/A SER 140.A OG GLY 141.A O no hydrogen 2.350 N/A SER 147.A N GLY 162.A O no hydrogen 2.651 N/A SER 147.A OG ASN 187.A OD1 no hydrogen 3.497 N/A SER 147.A OG VAL 188.A O no hydrogen 3.547 N/A ALA 148.A N GLY 162.A O no hydrogen 2.923 N/A HIS 150.A N ALA 160.A O no hydrogen 2.937 N/A PHE 152.A N ARG 158.A O no hydrogen 2.930 N/A ARG 156.A NE ILE 154.A O no hydrogen 3.192 N/A ARG 156.A NH1 ILE 154.A O no hydrogen 2.405 N/A ARG 158.A N PHE 152.A O no hydrogen 2.872 N/A LEU 159.A N PHE 171.A O no hydrogen 2.930 N/A ALA 160.A N HIS 150.A O no hydrogen 2.936 N/A TRP 161.A N ARG 169.A O no hydrogen 2.885 N/A GLY 162.A N ALA 148.A O no hydrogen 2.880 N/A THR 163.A N ARG 167.A O no hydrogen 3.135 N/A THR 163.A OG1 ARG 167.A O no hydrogen 2.902 N/A ARG 167.A N ASP 165.A O no hydrogen 2.818 N/A ARG 169.A N TRP 161.A O no hydrogen 2.976 N/A ILE 170.A N THR 179.A O no hydrogen 2.893 N/A PHE 171.A N LEU 159.A O no hydrogen 2.971 N/A LEU 173.A N PHE 157.A O no hydrogen 3.121 N/A ARG 176.A N ASP 172.A O no hydrogen 2.913 N/A THR 179.A N ILE 170.A O no hydrogen 2.889 N/A THR 179.A OG1 ILE 170.A O no hydrogen 3.076 N/A VAL 181.A N ILE 168.A O no hydrogen 2.973 N/A GLU 185.A N HIS 184.A ND1 no hydrogen 3.004 N/A GLN 189.A N GLY 203.A O no hydrogen 2.770 N/A CYS 190.A N GLY 203.A O no hydrogen 3.010 N/A CYS 190.A SG GLY 203.A O no hydrogen 3.941 N/A CYS 190.A SG GLU 216.A O no hydrogen 3.710 N/A ALA 192.A N LEU 201.A O no hydrogen 2.892 N/A TYR 193.A OH HIS 198.A ND1 no hydrogen 3.056 N/A SER 194.A N ALA 199.A O no hydrogen 2.836 N/A SER 194.A OG ALA 199.A O no hydrogen 2.986 N/A HIS 198.A ND1 TYR 193.A OH no hydrogen 3.056 N/A ALA 199.A N SER 194.A O no hydrogen 3.049 N/A LEU 201.A N ALA 192.A O no hydrogen 2.879 N/A SER 202.A N THR 210.A O no hydrogen 2.935 N/A GLY 203.A N CYS 190.A O no hydrogen 2.903 N/A SER 204.A N THR 208.A O no hydrogen 2.987 N/A SER 204.A OG ASN 187.A O no hydrogen 2.780 N/A SER 204.A OG ASP 206.A OD1 no hydrogen 2.973 N/A ARG 205.A N ASN 187.A O no hydrogen 2.597 N/A THR 208.A OG1 ASP 206.A OD1 no hydrogen 2.995 N/A THR 210.A N SER 202.A O no hydrogen 2.902 N/A GLU 216.A N ALA 228.A O no hydrogen 2.688 N/A SER 217.A N ALA 228.A O no hydrogen 3.400 N/A SER 217.A OG ALA 250.A O no hydrogen 2.615 N/A TYR 226.A N GLY 219.A O no hydrogen 3.333 N/A SER 227.A N ARG 235.A O no hydrogen 2.893 N/A ALA 228.A N SER 217.A O no hydrogen 3.223 N/A ARG 235.A N SER 227.A O no hydrogen 2.937 N/A TRP 237.A N MET 225.A O no hydrogen 2.822 N/A ASP 238.A N HIS 243.A O no hydrogen 3.300 N/A THR 239.A N ASP 238.A OD2 no hydrogen 3.081 N/A THR 239.A OG1 GLN 197.A OE1 no hydrogen 2.649 N/A THR 241.A OG1 HIS 243.A NE2 no hydrogen 2.672 N/A ILE 245.A N ILE 236.A O no hydrogen 3.179 N/A LEU 248.A N ALA 262.A O no hydrogen 2.967 N/A ARG 256.A N LEU 253.A O no hydrogen 3.351 N/A ILE 259.A N TYR 271.A O no hydrogen 2.990 N/A CYS 261.A N VAL 269.A O no hydrogen 2.832 N/A ALA 262.A N SER 249.A O no hydrogen 3.012 N/A GLN 263.A N THR 267.A O no hydrogen 2.893 N/A ALA 264.A N ALA 246.A O no hydrogen 3.235 N/A THR 267.A N GLN 263.A O no hydrogen 2.995 N/A THR 267.A OG1 GLN 263.A OE1 no hydrogen 3.029 N/A LEU 268.A N ILE 279.A O no hydrogen 2.975 N/A VAL 269.A N CYS 261.A O no hydrogen 2.892 N/A LEU 270.A N ARG 277.A O no hydrogen 3.298 N/A TYR 271.A N ILE 259.A O no hydrogen 2.927 N/A ARG 272.A NE SER 257.A O no hydrogen 3.441 N/A PHE 276.A N LEU 270.A O no hydrogen 2.942 N/A ILE 279.A N LEU 268.A O no hydrogen 3.046 N/A GLY 281.A N PHE 266.A O no hydrogen 2.921 N/A GLU 285.A N THR 303.A OG1 no hydrogen 3.197 N/A ILE 286.A N GLY 547.A O no hydrogen 3.104 N/A LEU 287.A N ALA 302.A O no hydrogen 2.930 N/A LEU 289.A N THR 533.A OG1 no hydrogen 3.243 N/A THR 290.A N ALA 300.A O no hydrogen 3.419 N/A ALA 300.A N THR 290.A O no hydrogen 3.250 N/A ILE 301.A N ARG 309.A O no hydrogen 2.866 N/A THR 303.A OG1 GLU 285.A O no hydrogen 2.633 N/A ASN 304.A N THR 303.A OG1 no hydrogen 2.407 N/A ASN 304.A ND2 GLU 285.A OE1 no hydrogen 3.533 N/A SER 305.A OG ASP 307.A OD1 no hydrogen 2.651 N/A ILE 308.A N LEU 323.A O no hydrogen 2.939 N/A ARG 309.A N ILE 301.A O no hydrogen 2.992 N/A ARG 309.A NH1 SER 305.A OG no hydrogen 2.731 N/A ARG 309.A NH2 HIS 283.A ND1 no hydrogen 3.197 N/A ILE 310.A N ALA 321.A O no hydrogen 2.956 N/A VAL 311.A N MET 299.A O no hydrogen 2.934 N/A SER 312.A N HIS 318.A O no hydrogen 3.156 N/A SER 312.A OG HIS 318.A O no hydrogen 2.550 N/A VAL 313.A N SER 297.A O no hydrogen 2.879 N/A ALA 321.A N ILE 310.A O no hydrogen 3.020 N/A LEU 323.A N ILE 308.A O no hydrogen 2.903 N/A MET 331.A N GLY 345.A O no hydrogen 2.694 N/A SER 332.A N GLY 345.A O no hydrogen 2.925 N/A SER 332.A OG GLY 377.A O no hydrogen 2.355 N/A ASP 334.A N ALA 343.A O no hydrogen 2.938 N/A ASP 336.A N TRP 341.A O no hydrogen 2.958 N/A SER 338.A OG SER 338.A O no hydrogen 2.442 N/A HIS 340.A ND1 VAL 356.A O no hydrogen 2.662 N/A TRP 341.A N ASP 336.A OD1 no hydrogen 2.989 N/A ILE 342.A N TRP 354.A O no hydrogen 3.034 N/A ALA 343.A N ASP 334.A O no hydrogen 2.851 N/A SER 344.A N ARG 352.A O no hydrogen 2.830 N/A GLY 345.A N SER 332.A O no hydrogen 2.892 N/A SER 346.A OG ILE 329.A O no hydrogen 2.654 N/A SER 346.A OG ASP 348.A O no hydrogen 3.558 N/A LYS 347.A N ILE 329.A O no hydrogen 2.731 N/A ASP 348.A N SER 346.A OG no hydrogen 2.678 N/A ALA 351.A N PHE 369.A O no hydrogen 2.989 N/A ARG 352.A N SER 344.A O no hydrogen 3.016 N/A ARG 352.A NH1 THR 350.A OG1 no hydrogen 3.201 N/A LEU 353.A N ALA 367.A O no hydrogen 2.817 N/A TRP 354.A N ILE 342.A O no hydrogen 2.837 N/A ARG 355.A N THR 364.A O no hydrogen 3.310 N/A VAL 356.A N HIS 340.A O no hydrogen 2.985 N/A ALA 367.A N LEU 353.A O no hydrogen 3.129 N/A PHE 369.A N ALA 351.A O no hydrogen 2.870 N/A SER 375.A OG LYS 347.A O no hydrogen 2.610 N/A GLY 377.A N GLY 390.A O no hydrogen 3.381 N/A ALA 380.A N ILE 388.A O no hydrogen 2.898 N/A LEU 387.A N ARG 399.A O no hydrogen 2.923 N/A ILE 388.A N ALA 380.A O no hydrogen 2.959 N/A SER 389.A N GLN 397.A O no hydrogen 2.884 N/A SER 389.A OG GLY 390.A O no hydrogen 3.431 N/A GLY 390.A N ALA 378.A O no hydrogen 2.889 N/A SER 391.A OG ASP 393.A O no hydrogen 2.347 N/A SER 391.A OG ASP 393.A OD1 no hydrogen 3.392 N/A SER 391.A OG PHE 395.A O no hydrogen 2.887 N/A GLN 392.A N SER 375.A O no hydrogen 2.787 N/A VAL 396.A N ARG 405.A O no hydrogen 2.998 N/A GLN 397.A N SER 389.A O no hydrogen 2.948 N/A LYS 398.A N LEU 403.A O no hydrogen 2.885 N/A LYS 398.A NZ VAL 438.A O no hydrogen 2.379 N/A LYS 398.A NZ GLU 439.A O no hydrogen 3.566 N/A ARG 399.A N LEU 387.A O no hydrogen 2.929 N/A ILE 401.A N ASP 400.A OD1 no hydrogen 2.698 N/A ARG 404.A NH2 GLY 371.A O no hydrogen 2.396 N/A ARG 405.A N VAL 396.A O no hydrogen 2.865 N/A ARG 405.A NH1 GLU 442.A O no hydrogen 3.037 N/A ARG 405.A NH2 ASP 437.A O no hydrogen 3.535 N/A ASP 409.A N ASP 430.A OD2 no hydrogen 2.688 N/A ASN 413.A N ALA 427.A O no hydrogen 2.567 N/A SER 418.A OG ASN 420.A OD1 no hydrogen 2.383 N/A GLY 421.A N SER 418.A O no hydrogen 3.179 N/A GLY 421.A N SER 418.A OG no hydrogen 2.826 N/A LYS 422.A N SER 418.A OG no hydrogen 3.350 N/A SER 426.A N LYS 434.A O no hydrogen 2.857 N/A ALA 427.A N ALA 414.A O no hydrogen 3.266 N/A SER 428.A OG ASP 430.A OD1 no hydrogen 2.255 N/A GLN 429.A N ASP 411.A O no hydrogen 3.304 N/A LYS 434.A N SER 426.A O no hydrogen 2.918 N/A TRP 436.A N PHE 424.A O no hydrogen 2.928 N/A ASP 437.A N GLU 442.A O no hydrogen 2.872 N/A GLN 444.A NE2 LYS 422.A O no hydrogen 3.223 N/A GLN 444.A NE2 ASP 437.A OD1 no hydrogen 2.544 N/A LEU 447.A N VAL 433.A O no hydrogen 2.828 N/A HIS 450.A NE2 THR 471.A OG1 no hydrogen 2.931 N/A TRP 455.A N GLY 466.A O no hydrogen 2.446 N/A THR 456.A N GLY 466.A O no hydrogen 2.951 N/A PHE 459.A N ASP 416.A OD2 no hydrogen 2.990 N/A ALA 460.A N VAL 462.A O no hydrogen 2.949 N/A VAL 463.A N TRP 475.A O no hydrogen 2.922 N/A LEU 464.A N ARG 458.A O no hydrogen 2.830 N/A THR 465.A N LYS 473.A O no hydrogen 2.915 N/A THR 465.A OG1 HIS 450.A ND1 no hydrogen 2.689 N/A GLY 466.A N THR 456.A O no hydrogen 2.880 N/A SER 467.A OG ASP 469.A OD1 no hydrogen 2.270 N/A SER 467.A OG THR 471.A O no hydrogen 3.356 N/A SER 467.A OG THR 471.A OG1 no hydrogen 3.373 N/A THR 471.A OG1 HIS 450.A NE2 no hydrogen 2.931 N/A THR 471.A OG1 SER 467.A OG no hydrogen 3.373 N/A THR 471.A OG1 ASP 469.A OD1 no hydrogen 2.786 N/A THR 471.A OG1 ASP 469.A OD2 no hydrogen 2.881 N/A ILE 472.A N PHE 486.A O no hydrogen 2.963 N/A LYS 473.A N THR 465.A O no hydrogen 2.949 N/A LYS 473.A NZ THR 485.A OG1 no hydrogen 3.017 N/A LEU 474.A N ARG 484.A O no hydrogen 2.861 N/A TRP 475.A N VAL 463.A O no hydrogen 2.847 N/A TRP 475.A NE1 THR 465.A OG1 no hydrogen 3.131 N/A ASN 476.A N THR 481.A O no hydrogen 3.278 N/A THR 481.A N ASN 476.A OD1 no hydrogen 2.936 N/A ILE 483.A N LEU 474.A O no hydrogen 2.439 N/A ARG 484.A N LEU 474.A O no hydrogen 2.964 N/A ARG 484.A NH1 THR 517.A O no hydrogen 2.978 N/A ARG 484.A NH2 THR 517.A O no hydrogen 3.308 N/A PHE 486.A N ILE 472.A O no hydrogen 2.888 N/A VAL 497.A N ALA 502.A O no hydrogen 3.265 N/A PHE 501.A N TRP 513.A O no hydrogen 2.339 N/A ALA 502.A N VAL 497.A O no hydrogen 3.336 N/A SER 503.A N LYS 511.A O no hydrogen 2.930 N/A SER 503.A OG HIS 489.A NE2 no hydrogen 3.288 N/A ALA 504.A N LYS 495.A O no hydrogen 3.292 N/A ALA 506.A N ASN 492.A O no hydrogen 2.425 N/A ASP 507.A N ASP 507.A OD2 no hydrogen 2.634 N/A THR 508.A OG1 THR 508.A O no hydrogen 2.486 N/A THR 508.A OG1 GLU 528.A O no hydrogen 2.701 N/A VAL 510.A N LEU 524.A O no hydrogen 3.028 N/A LYS 511.A N SER 503.A O no hydrogen 2.919 N/A VAL 512.A N CYS 522.A O no hydrogen 2.888 N/A TRP 513.A N PHE 501.A O no hydrogen 2.914 N/A GLY 518.A N ASP 514.A O no hydrogen 3.004 N/A GLU 521.A N VAL 512.A O no hydrogen 3.112 N/A CYS 522.A N VAL 512.A O no hydrogen 2.948 N/A CYS 522.A SG THR 523.A O no hydrogen 3.316 N/A HIS 527.A NE2 SER 545.A OG no hydrogen 2.541 N/A ARG 530.A N ASP 529.A OD1 no hydrogen 2.845 N/A TRP 532.A N ALA 546.A O no hydrogen 2.931 N/A TRP 532.A NE1 GLU 285.A OE2 no hydrogen 2.967 N/A THR 533.A N ALA 546.A O no hydrogen 2.886 N/A THR 533.A OG1 ASP 288.A OD2 no hydrogen 3.217 N/A ALA 535.A N ALA 544.A O no hydrogen 2.865 N/A HIS 537.A N ILE 542.A O no hydrogen 2.914 N/A SER 538.A OG GLN 296.A OE1 no hydrogen 2.420 N/A LYS 539.A NZ PRO 294.A O no hydrogen 3.159 N/A LEU 543.A N TRP 555.A O no hydrogen 2.912 N/A ALA 544.A N ALA 535.A O no hydrogen 2.892 N/A SER 545.A N THR 553.A O no hydrogen 2.922 N/A SER 545.A OG HIS 527.A NE2 no hydrogen 2.541 N/A SER 545.A OG THR 553.A O no hydrogen 3.454 N/A SER 545.A OG THR 553.A OG1 no hydrogen 2.375 N/A ALA 546.A N THR 533.A O no hydrogen 3.001 N/A VAL 552.A N ILE 7.A O no hydrogen 2.966 N/A THR 553.A N SER 545.A O no hydrogen 2.959 N/A THR 553.A OG1 HIS 527.A NE2 no hydrogen 3.252 N/A THR 553.A OG1 SER 545.A OG no hydrogen 2.375 N/A PHE 554.A N ASN 5.A O no hydrogen 2.811 N/A TRP 555.A N LEU 543.A O no hydrogen 2.875 N/A TRP 555.A NE1 THR 553.A OG1 no hydrogen 2.673 N/A ARG 556.A N GLU 2.A O no hydrogen 3.269 N/A ASP 557.A N ASN 541.A O no hydrogen 3.292 N/A THR 562.A N THR 558.A O no hydrogen 2.920 N/A GLN 563.A N THR 559.A O no hydrogen 2.923 N/A ALA 564.A N ALA 560.A O no hydrogen 2.954 N/A ALA 565.A N GLU 561.A O no hydrogen 2.937 N/A ALA 566.A N THR 562.A O no hydrogen 2.905 N/A ALA 567.A N GLN 563.A O no hydrogen 2.916 N/A GLN 568.A N ALA 564.A O no hydrogen 2.981 N/A ALA 569.A N ALA 565.A O no hydrogen 2.918 N/A ALA 570.A N ALA 566.A O no hydrogen 2.976 N/A LEU 571.A N ALA 567.A O no hydrogen 2.986 N/A LYS 572.A N GLN 568.A O no hydrogen 2.957 N/A LEU 573.A N ALA 569.A O no hydrogen 2.910 N/A VAL 574.A N ALA 570.A O no hydrogen 2.987 N/A GLU 575.A N LEU 571.A O no hydrogen 3.094 N/A GLN 576.A N LYS 572.A O no hydrogen 2.965 N/A GLU 577.A N LEU 573.A O no hydrogen 2.912 N/A GLN 578.A N VAL 574.A O no hydrogen 3.040 N/A GLN 578.A NE2 ASN 582.A OD1 no hydrogen 2.744 N/A THR 579.A N GLU 575.A O no hydrogen 3.027 N/A THR 579.A OG1 GLU 575.A O no hydrogen 3.366 N/A THR 579.A OG1 GLN 576.A O no hydrogen 2.853 N/A LEU 580.A N GLN 576.A O no hydrogen 2.941 N/A GLU 581.A N GLU 577.A O no hydrogen 3.034 N/A ASN 582.A N GLN 578.A O no hydrogen 2.870 N/A TYR 583.A N THR 579.A O no hydrogen 2.932 N/A ILE 584.A N LEU 580.A O no hydrogen 2.969 N/A HIS 585.A N GLU 581.A O no hydrogen 2.963 N/A ALA 586.A N ASN 582.A O no hydrogen 2.873 N/A GLY 587.A N TYR 583.A O no hydrogen 2.930 N/A ALA 588.A N TYR 583.A O no hydrogen 3.103 N/A ALA 592.A N ALA 588.A O no hydrogen 2.994 N/A ILE 593.A N TYR 589.A O no hydrogen 2.886 N/A VAL 594.A N ARG 590.A O no hydrogen 3.012 N/A LEU 595.A N ASP 591.A O no hydrogen 2.930 N/A ALA 596.A N ALA 592.A O no hydrogen 2.894 N/A LEU 597.A N ILE 593.A O no hydrogen 2.948 N/A GLN 598.A N VAL 594.A O no hydrogen 2.974 N/A LEU 599.A N LEU 595.A O no hydrogen 2.866 N/A ASN 600.A N ALA 596.A O no hydrogen 2.948 N/A LEU 606.A N PRO 602.A O no hydrogen 2.947 N/A LEU 608.A N ARG 604.A O no hydrogen 2.998 N/A PHE 609.A N LEU 605.A O no hydrogen 2.987 N/A THR 610.A N LEU 606.A O no hydrogen 2.933 N/A THR 610.A OG1 ASN 607.A O no hydrogen 2.851 N/A ASN 611.A N ASN 607.A O no hydrogen 2.994 N/A VAL 612.A N LEU 608.A O no hydrogen 2.943 N/A VAL 613.A N PHE 609.A O no hydrogen 2.982 N/A THR 614.A N THR 610.A O no hydrogen 2.946 N/A THR 614.A OG1 THR 610.A O no hydrogen 2.411 N/A ASP 619.A N GLY 625.A O no hydrogen 3.050 N/A SER 622.A OG ASP 630.A OD1 no hydrogen 3.310 N/A LEU 623.A N ASP 630.A OD1 no hydrogen 2.590 N/A THR 624.A N ASP 630.A OD2 no hydrogen 3.268 N/A THR 624.A OG1 THR 624.A O no hydrogen 2.618 N/A ASP 630.A N LEU 626.A O no hydrogen 2.970 N/A ASP 631.A N LYS 627.A O no hydrogen 2.854 N/A VAL 632.A N ALA 628.A O no hydrogen 3.000 N/A LEU 633.A N VAL 629.A O no hydrogen 2.954 N/A ALA 634.A N ASP 630.A O no hydrogen 2.923 N/A LYS 635.A N ASP 631.A O no hydrogen 2.921 N/A LYS 635.A NZ ASP 631.A O no hydrogen 2.982 N/A SER 637.A N GLN 640.A OE1 no hydrogen 3.152 N/A GLN 640.A N SER 637.A OG no hydrogen 3.416 N/A ILE 641.A N SER 637.A O no hydrogen 2.903 N/A PHE 642.A N ASP 638.A O no hydrogen 2.954 N/A GLN 643.A N GLU 639.A O no hydrogen 2.921 N/A LEU 644.A N GLN 640.A O no hydrogen 2.882 N/A LEU 645.A N ILE 641.A O no hydrogen 2.905 N/A LEU 646.A N PHE 642.A O no hydrogen 2.963 N/A ARG 647.A N GLN 643.A O no hydrogen 2.989 N/A LEU 648.A N LEU 644.A O no hydrogen 2.807 N/A ARG 649.A N LEU 645.A O no hydrogen 3.063 N/A ARG 649.A NH1 HIS 688.A O no hydrogen 3.105 N/A TRP 651.A N ARG 647.A O no hydrogen 2.972 N/A ASN 652.A N LEU 648.A O no hydrogen 2.850 N/A ASN 652.A ND2 THR 702.A OG1 no hydrogen 3.084 N/A THR 653.A N ARG 649.A O no hydrogen 3.025 N/A THR 653.A OG1 ARG 649.A O no hydrogen 3.083 N/A ARG 656.A N ASN 654.A OD1 no hydrogen 3.062 N/A THR 657.A OG1 TRP 651.A O no hydrogen 2.521 N/A ALA 661.A N THR 657.A O no hydrogen 3.015 N/A GLN 662.A N ALA 658.A O no hydrogen 2.908 N/A GLN 662.A NE2 ASN 652.A OD1 no hydrogen 3.039 N/A GLN 662.A NE2 THR 702.A OG1 no hydrogen 2.741 N/A ARG 663.A N PRO 659.A O no hydrogen 2.924 N/A VAL 664.A N VAL 660.A O no hydrogen 3.052 N/A LEU 665.A N ALA 661.A O no hydrogen 2.934 N/A TRP 666.A N GLN 662.A O no hydrogen 2.869 N/A ALA 667.A N ARG 663.A O no hydrogen 2.977 N/A LEU 668.A N VAL 664.A O no hydrogen 2.934 N/A PHE 669.A N LEU 665.A O no hydrogen 2.933 N/A LYS 670.A N TRP 666.A O no hydrogen 2.935 N/A SER 671.A N ALA 667.A O no hydrogen 2.934 N/A SER 671.A OG ALA 667.A O no hydrogen 3.214 N/A HIS 672.A N LEU 668.A O no hydrogen 2.973 N/A SER 678.A N ALA 674.A O no hydrogen 2.922 N/A SER 679.A N ASN 675.A O no hydrogen 2.906 N/A SER 679.A OG ASN 675.A O no hydrogen 2.332 N/A VAL 694.A N SER 690.A O no hydrogen 2.969 N/A LEU 695.A N LEU 691.A O no hydrogen 2.959 N/A ASP 696.A N ASN 692.A O no hydrogen 2.913 N/A ALA 697.A N GLU 693.A O no hydrogen 2.958 N/A ILE 698.A N VAL 694.A O no hydrogen 3.036 N/A LYS 699.A N LEU 695.A O no hydrogen 2.923 N/A VAL 700.A N ASP 696.A O no hydrogen 2.985 N/A TYR 701.A N ALA 697.A O no hydrogen 3.115 N/A THR 702.A N ILE 698.A O no hydrogen 2.979 N/A THR 702.A OG1 ILE 698.A O no hydrogen 2.647 N/A GLU 703.A N LYS 699.A O no hydrogen 2.903 N/A ARG 704.A N VAL 700.A O no hydrogen 3.091 N/A HIS 705.A N TYR 701.A O no hydrogen 3.064 N/A HIS 705.A NE2 ASN 652.A O no hydrogen 3.050 N/A TYR 706.A N THR 702.A O no hydrogen 2.899 N/A LYS 707.A N GLU 703.A O no hydrogen 2.995 N/A ARG 708.A N ARG 704.A O no hydrogen 3.068 N/A ILE 709.A N HIS 705.A O no hydrogen 3.007 N/A GLU 710.A N TYR 706.A O no hydrogen 2.960 N/A GLU 711.A N LYS 707.A O no hydrogen 3.083 N/A LEU 712.A N ARG 708.A O no hydrogen 3.001 N/A VAL 713.A N ILE 709.A O no hydrogen 2.984 N/A ASP 714.A N GLU 710.A O no hydrogen 3.093 N/A GLU 715.A N GLU 711.A O no hydrogen 2.975 N/A SER 716.A N VAL 713.A O no hydrogen 2.861 N/A LEU 718.A N GLU 715.A O no hydrogen 3.476 N/A TYR 721.A N TYR 717.A O no hydrogen 3.108 N/A THR 722.A N LEU 718.A O no hydrogen 2.933 N/A THR 722.A OG1 LEU 718.A O no hydrogen 2.880 N/A LEU 723.A N VAL 719.A O no hydrogen 2.948 N/A ARG 724.A N GLU 720.A O no hydrogen 2.931 N/A ARG 724.A NH1 ARG 724.A O no hydrogen 3.253 N/A GLU 725.A N TYR 721.A O no hydrogen 3.005 N/A MET 726.A N THR 722.A O no hydrogen 2.977 N/A ASP 727.A N LEU 723.A O no hydrogen 2.887 N/A ALA 728.A N ARG 724.A O no hydrogen 2.925 N/A LEU 729.A N GLU 725.A O no hydrogen 2.984 N/A