Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLN 28.A O no hydrogen 2.296 N/A ILE 3.A N GLN 30.A O no hydrogen 3.422 N/A VAL 6.A N LEU 60.A O no hydrogen 2.955 N/A SER 8.A OG HIS 63.A O no hydrogen 2.607 N/A HIS 12.A N THR 9.A O no hydrogen 3.000 N/A GLU 13.A N ARG 10.A O no hydrogen 2.938 N/A MET 15.A N LYS 11.A O no hydrogen 2.879 N/A PHE 16.A N HIS 12.A O no hydrogen 2.870 N/A ARG 17.A N GLU 13.A O no hydrogen 2.866 N/A GLU 18.A N GLN 14.A O no hydrogen 2.849 N/A ALA 19.A N MET 15.A O no hydrogen 2.902 N/A VAL 20.A N PHE 16.A O no hydrogen 2.851 N/A ASN 21.A N ARG 17.A O no hydrogen 2.967 N/A GLN 22.A N GLU 18.A O no hydrogen 2.828 N/A GLN 22.A NE2 GLU 18.A O no hydrogen 2.195 N/A ALA 23.A N ALA 19.A O no hydrogen 2.901 N/A ASN 24.A ND2 ASN 21.A O no hydrogen 3.433 N/A ARG 26.A N ALA 23.A O no hydrogen 2.977 N/A THR 32.A N ILE 3.A O no hydrogen 2.952 N/A HIS 36.A N THR 35.A OG1 no hydrogen 2.373 N/A ILE 41.A N ASN 39.A OD1 no hydrogen 3.515 N/A GLN 42.A N ASN 39.A O no hydrogen 2.876 N/A ALA 44.A N ALA 40.A O no hydrogen 2.934 N/A LEU 45.A N ILE 41.A O no hydrogen 2.977 N/A SER 46.A N GLN 42.A O no hydrogen 2.944 N/A SER 46.A OG GLN 42.A O no hydrogen 3.057 N/A VAL 47.A N MET 43.A O no hydrogen 2.891 N/A CYS 48.A N ALA 44.A O no hydrogen 3.055 N/A GLU 49.A N LEU 45.A O no hydrogen 2.877 N/A ASP 50.A N SER 46.A O no hydrogen 2.952 N/A LEU 51.A N VAL 47.A O no hydrogen 2.940 N/A ILE 52.A N VAL 47.A O no hydrogen 2.944 N/A SER 53.A N CYS 48.A O no hydrogen 3.022 N/A SER 53.A OG CYS 48.A O no hydrogen 3.270 N/A SER 53.A OG GLU 49.A O no hydrogen 2.492 N/A SER 53.A OG ASP 50.A O no hydrogen 2.628 N/A SER 54.A N ASP 50.A O no hydrogen 2.874 N/A SER 54.A OG ASP 50.A O no hydrogen 2.266 N/A GLN 55.A N LEU 51.A O no hydrogen 3.171 N/A LEU 60.A N GLY 4.A O no hydrogen 2.861 N/A SER 62.A N VAL 6.A O no hydrogen 3.482 N/A SER 62.A OG HIS 63.A O no hydrogen 2.775 N/A HIS 63.A N THR 91.A OG1 no hydrogen 2.143 N/A THR 72.A N ASP 69.A O no hydrogen 2.741 N/A THR 72.A OG1 ASP 69.A O no hydrogen 2.435 N/A THR 74.A OG1 PHE 71.A O no hydrogen 2.430 N/A SER 77.A N PRO 73.A O no hydrogen 2.857 N/A SER 77.A OG THR 74.A O no hydrogen 2.249 N/A TYR 78.A N THR 74.A O no hydrogen 3.035 N/A THR 79.A N PRO 75.A O no hydrogen 2.862 N/A THR 79.A OG1 PRO 75.A O no hydrogen 2.433 N/A PHE 82.A N TYR 78.A O no hydrogen 2.944 N/A PHE 82.A N THR 79.A O no hydrogen 3.153 N/A TYR 83.A N ALA 80.A O no hydrogen 2.632 N/A ARG 84.A N GLY 81.A O no hydrogen 2.465 N/A ILE 85.A N ALA 80.A O no hydrogen 3.330 N/A VAL 87.A N SER 105.A O no hydrogen 2.877 N/A GLY 89.A N LEU 107.A O no hydrogen 2.832 N/A SER 95.A N GLU 141.A OE2 no hydrogen 3.007 N/A SER 95.A OG SER 98.A OG no hydrogen 3.036 N/A SER 98.A N SER 95.A O no hydrogen 2.901 N/A SER 98.A OG SER 95.A O no hydrogen 2.062 N/A SER 98.A OG SER 95.A OG no hydrogen 3.036 N/A SER 98.A OG ILE 96.A O no hydrogen 3.526 N/A ASP 99.A N ILE 96.A O no hydrogen 2.956 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.309 N/A ILE 102.A N ASP 99.A OD2 no hydrogen 2.718 N/A LEU 107.A N VAL 87.A O no hydrogen 2.890 N/A ARG 108.A N GLY 319.A O no hydrogen 2.353 N/A ARG 108.A NE ASP 320.A OD1 no hydrogen 2.851 N/A THR 109.A OG1 GLY 89.A O no hydrogen 2.727 N/A TYR 113.A N ARG 93.A O no hydrogen 3.217 N/A HIS 115.A N PRO 112.A O no hydrogen 2.815 N/A GLN 116.A N TYR 113.A O no hydrogen 2.530 N/A SER 118.A N HIS 115.A O no hydrogen 3.064 N/A VAL 119.A N GLN 116.A O no hydrogen 3.129 N/A TRP 120.A N SER 117.A O no hydrogen 2.967 N/A PHE 121.A N SER 118.A O no hydrogen 2.974 N/A GLU 122.A N VAL 119.A O no hydrogen 2.863 N/A MET 123.A N TRP 120.A O no hydrogen 3.387 N/A ARG 125.A N GLU 122.A O no hydrogen 2.679 N/A TYR 127.A N MET 123.A O no hydrogen 3.075 N/A LEU 135.A N ILE 195.A O no hydrogen 2.960 N/A VAL 136.A N LEU 170.A O no hydrogen 3.463 N/A GLY 142.A N ASP 139.A OD1 no hydrogen 3.208 N/A ALA 144.A N HIS 140.A O no hydrogen 2.784 N/A ALA 145.A N GLU 141.A O no hydrogen 2.939 N/A GLN 146.A N GLY 142.A O no hydrogen 2.799 N/A LYS 147.A N ARG 143.A O no hydrogen 2.910 N/A ARG 148.A N ALA 144.A O no hydrogen 2.940 N/A ARG 148.A NH2 HIS 115.A O no hydrogen 2.352 N/A LEU 149.A N ALA 145.A O no hydrogen 2.879 N/A GLU 150.A N GLN 146.A O no hydrogen 2.851 N/A THR 151.A N LYS 147.A O no hydrogen 2.943 N/A LEU 152.A N ARG 148.A O no hydrogen 2.860 N/A LEU 153.A N LEU 149.A O no hydrogen 2.654 N/A GLU 154.A N THR 151.A O no hydrogen 2.923 N/A LYS 165.A N ASN 130.A O no hydrogen 2.974 N/A LEU 170.A N LEU 134.A O no hydrogen 3.244 N/A GLN 171.A NE2 VAL 169.A O no hydrogen 3.125 N/A PHE 172.A N ASP 138.A OD1 no hydrogen 2.578 N/A THR 176.A OG1 ASP 173.A O no hydrogen 3.192 N/A ALA 181.A N ASN 178.A O no hydrogen 3.430 N/A LEU 182.A N VAL 179.A O no hydrogen 2.876 N/A MET 184.A N THR 180.A O no hydrogen 3.026 N/A GLU 185.A N ALA 181.A O no hydrogen 3.205 N/A ALA 186.A N LEU 182.A O no hydrogen 2.836 N/A ARG 187.A N LEU 183.A O no hydrogen 2.535 N/A GLU 188.A N GLU 185.A O no hydrogen 2.954 N/A LEU 189.A N ALA 186.A O no hydrogen 2.649 N/A SER 197.A N LEU 135.A O no hydrogen 3.011 N/A SER 199.A N ASP 202.A OD2 no hydrogen 2.417 N/A SER 199.A OG ASP 202.A OD1 no hydrogen 2.564 N/A ALA 203.A N ASP 202.A OD1 no hydrogen 2.515 N/A THR 205.A N ASP 201.A O no hydrogen 3.005 N/A THR 205.A OG1 ASP 202.A O no hydrogen 2.118 N/A VAL 206.A N ASP 202.A O no hydrogen 2.935 N/A TYR 207.A N ALA 203.A O no hydrogen 2.774 N/A ARG 208.A N ALA 204.A O no hydrogen 2.911 N/A ALA 209.A N THR 205.A O no hydrogen 2.958 N/A ALA 210.A N VAL 206.A O no hydrogen 2.814 N/A ALA 211.A N TYR 207.A O no hydrogen 2.920 N/A MET 212.A N ARG 208.A O no hydrogen 2.968 N/A LEU 213.A N ALA 209.A O no hydrogen 2.896 N/A ASP 214.A N ALA 211.A O no hydrogen 3.199 N/A MET 215.A N ALA 210.A O no hydrogen 3.181 N/A THR 216.A OG1 THR 216.A O no hydrogen 2.479 N/A ASN 232.A ND2 SER 230.A OG no hydrogen 2.933 N/A LEU 234.A N SER 230.A O no hydrogen 2.663 N/A ARG 235.A N GLY 231.A O no hydrogen 2.596 N/A TYR 236.A N ALA 233.A O no hydrogen 2.372 N/A ALA 237.A N ALA 233.A O no hydrogen 2.690 N/A GLY 240.A N LEU 331.A O no hydrogen 3.058 N/A GLY 243.A N MET 329.A O no hydrogen 2.957 N/A GLN 245.A N SER 327.A O no hydrogen 2.892 N/A ILE 256.A N GLU 252.A O no hydrogen 2.841 N/A SER 257.A N SER 253.A O no hydrogen 2.915 N/A SER 257.A OG SER 253.A O no hydrogen 2.472 N/A SER 257.A OG ALA 254.A O no hydrogen 2.750 N/A ASP 258.A N ALA 254.A O no hydrogen 2.954 N/A ALA 259.A N HIS 255.A O no hydrogen 2.869 N/A VAL 260.A N ILE 256.A O no hydrogen 2.958 N/A GLY 261.A N SER 257.A O no hydrogen 2.916 N/A VAL 262.A N ASP 258.A O no hydrogen 2.878 N/A VAL 263.A N ALA 259.A O no hydrogen 2.942 N/A ALA 264.A N VAL 260.A O no hydrogen 2.867 N/A GLN 265.A N GLY 261.A O no hydrogen 2.911 N/A ALA 266.A N VAL 262.A O no hydrogen 2.874 N/A VAL 267.A N VAL 263.A O no hydrogen 2.836 N/A HIS 268.A N ALA 264.A O no hydrogen 2.921 N/A GLU 269.A N GLN 265.A O no hydrogen 2.948 N/A LEU 270.A N VAL 267.A O no hydrogen 2.627 N/A LEU 271.A N VAL 267.A O no hydrogen 2.616 N/A LYS 273.A N LEU 270.A O no hydrogen 3.084 N/A VAL 284.A N ARG 281.A O no hydrogen 2.773 N/A GLY 285.A N ARG 281.A O no hydrogen 3.006 N/A THR 287.A N GLY 285.A O no hydrogen 2.512 N/A TRP 290.A NE1 THR 277.A O no hydrogen 2.867 N/A THR 292.A N TRP 290.A O no hydrogen 2.252 N/A THR 292.A OG1 TRP 290.A O no hydrogen 3.055 N/A GLY 293.A N TRP 290.A O no hydrogen 3.211 N/A PHE 296.A N THR 292.A O no hydrogen 2.415 N/A LYS 297.A N GLY 293.A O no hydrogen 2.838 N/A ARG 298.A N PRO 294.A O no hydrogen 2.888 N/A VAL 299.A N LEU 295.A O no hydrogen 2.826 N/A LEU 300.A N PHE 296.A O no hydrogen 2.931 N/A SER 303.A OG SER 303.A O no hydrogen 2.267 N/A TYR 305.A N SER 303.A O no hydrogen 2.483 N/A GLY 308.A N GLY 311.A O no hydrogen 2.919 N/A ARG 312.A NE GLU 314.A OE1 no hydrogen 3.059 N/A ARG 312.A NH2 GLU 314.A OE1 no hydrogen 2.889 N/A ASN 316.A N ASP 320.A O no hydrogen 3.004 N/A ASN 316.A ND2 ASP 320.A OD2 no hydrogen 2.529 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.329 N/A ASP 320.A N ASN 316.A OD1 no hydrogen 2.280 N/A LYS 322.A N GLU 314.A O no hydrogen 2.711 N/A TYR 326.A N TYR 342.A O no hydrogen 2.932 N/A SER 327.A N GLN 245.A O no hydrogen 2.902 N/A SER 327.A OG GLN 245.A O no hydrogen 3.183 N/A ILE 328.A N VAL 339.A O no hydrogen 2.938 N/A MET 329.A N GLY 243.A O no hydrogen 2.909 N/A ASN 330.A N VAL 337.A O no hydrogen 2.889 N/A LEU 331.A N ILE 241.A O no hydrogen 3.263 N/A GLN 332.A N LYS 335.A O no hydrogen 2.857 N/A ARG 334.A N ASP 239.A OD1 no hydrogen 3.452 N/A LYS 335.A N GLN 332.A O no hydrogen 2.922 N/A VAL 337.A N ASN 330.A O no hydrogen 2.921 N/A VAL 339.A N ILE 328.A O no hydrogen 2.929 N/A ILE 341.A N VAL 339.A O no hydrogen 3.015 N/A GLY 359.A N TRP 356.A O no hydrogen 2.724 N/A TYR 367.A N ARG 365.A O no hydrogen 2.477 N/A THR 371.A OG1 MET 369.A O no hydrogen 3.494 N/A THR 371.A OG1 ARG 372.A O no hydrogen 2.347 N/A ARG 372.A NH2 GLU 450.A OE2 no hydrogen 3.069 N/A VAL 376.A N MET 487.A O no hydrogen 3.400 N/A THR 377.A OG1 VAL 376.A O no hydrogen 2.278 N/A THR 377.A OG1 VAL 489.A O no hydrogen 2.374 N/A PHE 383.A N GLN 380.A O no hydrogen 3.257 N/A VAL 384.A N GLN 380.A O no hydrogen 2.895 N/A TYR 385.A N TYR 431.A O no hydrogen 2.866 N/A LYS 387.A N CYS 429.A O no hydrogen 2.910 N/A THR 389.A OG1 MET 390.A O no hydrogen 3.185 N/A THR 389.A OG1 GLY 393.A O no hydrogen 3.401 N/A MET 390.A N THR 394.A O no hydrogen 2.588 N/A GLY 393.A N MET 390.A O no hydrogen 2.918 N/A THR 394.A OG1 CYS 395.A O no hydrogen 3.209 N/A THR 400.A N ASP 404.A O no hydrogen 2.832 N/A THR 400.A OG1 ASN 402.A OD1 no hydrogen 1.968 N/A THR 400.A OG1 ASP 404.A O no hydrogen 3.540 N/A ASN 402.A ND2 ASP 404.A OD2 no hydrogen 2.591 N/A GLY 403.A N THR 400.A OG1 no hydrogen 2.600 N/A ASP 404.A N THR 400.A OG1 no hydrogen 2.234 N/A ASP 404.A N ASN 402.A OD1 no hydrogen 2.662 N/A VAL 409.A N CYS 430.A O no hydrogen 2.991 N/A GLY 413.A N VAL 426.A O no hydrogen 2.983 N/A THR 417.A N ASN 415.A O no hydrogen 2.609 N/A SER 418.A OG PRO 419.A O no hydrogen 3.356 N/A SER 421.A N SER 418.A O no hydrogen 3.281 N/A SER 421.A OG ASN 415.A O no hydrogen 3.555 N/A SER 421.A OG ASP 416.A OD1 no hydrogen 3.481 N/A ARG 423.A N SER 421.A OG no hydrogen 3.024 N/A THR 425.A OG1 ARG 423.A O no hydrogen 3.473 N/A VAL 426.A N HIS 424.A O no hydrogen 2.543 N/A GLN 428.A N CYS 411.A O no hydrogen 2.831 N/A CYS 429.A N LYS 387.A O no hydrogen 2.882 N/A CYS 429.A SG LYS 387.A O no hydrogen 3.921 N/A CYS 430.A N VAL 409.A O no hydrogen 2.881 N/A TYR 431.A N TYR 385.A O no hydrogen 3.037 N/A PHE 433.A N PHE 383.A O no hydrogen 3.172 N/A CYS 434.A N PHE 383.A O no hydrogen 3.205 N/A LEU 437.A N PHE 433.A O no hydrogen 3.012 N/A LEU 438.A N CYS 434.A O no hydrogen 2.749 N/A ILE 439.A N ILE 435.A O no hydrogen 2.923 N/A LYS 440.A N ASP 436.A O no hydrogen 3.013 N/A LEU 441.A N LEU 437.A O no hydrogen 2.944 N/A ALA 442.A N LEU 438.A O no hydrogen 2.837 N/A ARG 443.A N ILE 439.A O no hydrogen 2.937 N/A THR 444.A N LYS 440.A O no hydrogen 2.989 N/A THR 444.A N LEU 441.A O no hydrogen 3.151 N/A MET 445.A N ALA 442.A O no hydrogen 2.587 N/A GLN 446.A N ALA 442.A O no hydrogen 2.823 N/A LEU 453.A N THR 412.A O no hydrogen 3.152 N/A LYS 458.A NZ GLU 670.A O no hydrogen 2.982 N/A LYS 458.A NZ GLU 670.A OE1 no hydrogen 2.373 N/A THR 461.A N ASN 474.A OD1 no hydrogen 3.324 N/A THR 461.A OG1 GLU 463.A OE2 no hydrogen 2.743 N/A GLU 463.A N GLU 472.A O no hydrogen 2.894 N/A VAL 465.A N LYS 470.A O no hydrogen 2.898 N/A SER 468.A N VAL 465.A O no hydrogen 3.309 N/A ASN 469.A N SER 468.A OG no hydrogen 2.413 N/A GLU 472.A N GLU 463.A O no hydrogen 2.833 N/A MET 476.A N PHE 459.A O no hydrogen 2.391 N/A GLY 478.A N GLY 475.A O no hydrogen 2.845 N/A LEU 480.A N MET 476.A O no hydrogen 2.952 N/A LEU 480.A N MET 477.A O no hydrogen 2.765 N/A LEU 481.A N MET 477.A O no hydrogen 2.867 N/A SER 482.A N GLY 478.A O no hydrogen 3.001 N/A SER 482.A OG GLN 484.A OE1 no hydrogen 2.064 N/A ASP 486.A N LYS 374.A O no hydrogen 3.119 N/A ILE 488.A N GLY 719.A O no hydrogen 2.959 N/A LEU 492.A N ALA 490.A O no hydrogen 2.685 N/A THR 493.A OG1 SER 646.A OG no hydrogen 2.901 N/A ASN 496.A N ASN 495.A OD1 no hydrogen 2.284 N/A GLU 497.A N GLU 497.A OE1 no hydrogen 2.213 N/A ALA 499.A N ASN 496.A O no hydrogen 2.480 N/A GLN 500.A N GLU 497.A O no hydrogen 2.528 N/A SER 505.A N ILE 718.A O no hydrogen 3.274 N/A SER 505.A OG LYS 506.A O no hydrogen 3.406 N/A SER 505.A OG ILE 718.A O no hydrogen 2.813 N/A LYS 506.A N SER 731.A OG no hydrogen 3.352 N/A GLY 512.A N SER 691.A OG no hydrogen 3.338 N/A THR 514.A N TRP 689.A O no hydrogen 2.909 N/A THR 514.A OG1 ILE 515.A O no hydrogen 2.837 N/A LEU 516.A N PHE 687.A O no hydrogen 2.885 N/A LYS 519.A N ASP 703.A O no hydrogen 3.395 N/A THR 525.A OG1 SER 528.A OG no hydrogen 2.379 N/A SER 528.A OG THR 525.A OG1 no hydrogen 2.379 N/A GLN 531.A NE2 SER 528.A O no hydrogen 3.467 N/A PHE 533.A N MET 530.A O no hydrogen 3.341 N/A THR 536.A OG1 GLN 534.A O no hydrogen 2.782 N/A LEU 537.A N GLN 534.A O no hydrogen 2.723 N/A LEU 539.A N SER 535.A O no hydrogen 3.156 N/A LEU 540.A N THR 536.A O no hydrogen 2.978 N/A VAL 541.A N LEU 537.A O no hydrogen 2.934 N/A GLY 542.A N TRP 538.A O no hydrogen 2.940 N/A LEU 543.A N LEU 539.A O no hydrogen 2.960 N/A LEU 543.A N LEU 540.A O no hydrogen 3.232 N/A SER 544.A N LEU 540.A O no hydrogen 3.005 N/A SER 544.A OG LEU 540.A O no hydrogen 2.843 N/A SER 544.A OG VAL 541.A O no hydrogen 2.709 N/A VAL 545.A N VAL 541.A O no hydrogen 3.016 N/A HIS 546.A ND1 GLY 542.A O no hydrogen 2.750 N/A VAL 547.A N LEU 543.A O no hydrogen 2.974 N/A VAL 548.A N SER 544.A O no hydrogen 3.002 N/A ALA 549.A N VAL 545.A O no hydrogen 2.962 N/A VAL 550.A N HIS 546.A O no hydrogen 2.907 N/A MET 551.A N VAL 547.A O no hydrogen 3.056 N/A LEU 552.A N VAL 548.A O no hydrogen 2.879 N/A TYR 553.A N ALA 549.A O no hydrogen 3.107 N/A LEU 554.A N VAL 550.A O no hydrogen 2.930 N/A LEU 555.A N MET 551.A O no hydrogen 2.953 N/A ASP 556.A N LEU 552.A O no hydrogen 2.862 N/A ASP 556.A N TYR 553.A O no hydrogen 3.068 N/A ARG 557.A N TYR 553.A O no hydrogen 2.901 N/A PHE 558.A N LEU 554.A O no hydrogen 3.457 N/A THR 560.A OG1 ASP 556.A OD2 no hydrogen 2.235 N/A PHE 567.A N SER 563.A O no hydrogen 2.913 N/A SER 568.A N ALA 564.A O no hydrogen 2.886 N/A TRP 569.A N MET 565.A O no hydrogen 3.043 N/A GLY 570.A N TRP 566.A O no hydrogen 2.872 N/A VAL 571.A N PHE 567.A O no hydrogen 2.942 N/A LEU 572.A N SER 568.A O no hydrogen 2.976 N/A LEU 573.A N TRP 569.A O no hydrogen 2.939 N/A ASN 574.A N GLY 570.A O no hydrogen 2.662 N/A SER 575.A OG LEU 573.A O no hydrogen 2.140 N/A SER 584.A OG SER 586.A OG no hydrogen 2.674 N/A SER 586.A OG SER 584.A OG no hydrogen 2.674 N/A ALA 587.A N SER 584.A OG no hydrogen 2.922 N/A LEU 590.A N SER 586.A O no hydrogen 2.991 N/A GLY 591.A N ALA 587.A O no hydrogen 2.762 N/A MET 592.A N ARG 588.A O no hydrogen 2.998 N/A VAL 593.A N ILE 589.A O no hydrogen 3.081 N/A TRP 594.A N LEU 590.A O no hydrogen 2.921 N/A ALA 595.A N GLY 591.A O no hydrogen 2.896 N/A GLY 596.A N MET 592.A O no hydrogen 3.103 N/A PHE 597.A N VAL 593.A O no hydrogen 2.927 N/A ALA 598.A N TRP 594.A O no hydrogen 2.987 N/A MET 599.A N ALA 595.A O no hydrogen 3.012 N/A ILE 600.A N GLY 596.A O no hydrogen 3.014 N/A ILE 601.A N PHE 597.A O no hydrogen 2.970 N/A VAL 602.A N ALA 598.A O no hydrogen 3.090 N/A ALA 603.A N MET 599.A O no hydrogen 2.991 N/A SER 604.A N ILE 600.A O no hydrogen 2.985 N/A SER 604.A OG ILE 601.A O no hydrogen 2.761 N/A TYR 605.A N ILE 601.A O no hydrogen 2.928 N/A THR 606.A N VAL 602.A O no hydrogen 3.030 N/A ALA 607.A N ALA 603.A O no hydrogen 2.952 N/A ASN 608.A N SER 604.A O no hydrogen 2.986 N/A LEU 609.A N TYR 605.A O no hydrogen 3.007 N/A ALA 610.A N THR 606.A O no hydrogen 2.965 N/A ALA 611.A N ALA 607.A O no hydrogen 2.918 N/A PHE 612.A N ASN 608.A O no hydrogen 2.948 N/A LEU 613.A N LEU 609.A O no hydrogen 2.915 N/A VAL 614.A N ALA 610.A O no hydrogen 2.949 N/A LEU 615.A N ALA 611.A O no hydrogen 3.193 N/A THR 623.A OG1 ARG 621.A O no hydrogen 3.258 N/A ARG 629.A N ASP 627.A OD1 no hydrogen 2.345 N/A LEU 630.A N ASP 627.A O no hydrogen 2.556 N/A ARG 631.A N PRO 628.A O no hydrogen 2.507 N/A ASN 632.A N PRO 628.A O no hydrogen 3.167 N/A SER 634.A OG ASP 635.A OD1 no hydrogen 2.382 N/A LYS 636.A N SER 634.A OG no hydrogen 2.940 N/A LYS 636.A N ASP 635.A OD1 no hydrogen 2.350 N/A LYS 636.A NZ ASP 635.A OD2 no hydrogen 2.137 N/A VAL 642.A N THR 641.A OG1 no hydrogen 2.417 N/A LYS 643.A N TYR 669.A O no hydrogen 3.281 N/A LYS 643.A NZ GLU 670.A OE2 no hydrogen 2.979 N/A SER 645.A OG VAL 642.A O no hydrogen 2.274 N/A SER 645.A OG LYS 643.A O no hydrogen 2.049 N/A SER 646.A OG THR 493.A OG1 no hydrogen 2.901 N/A ASP 648.A N SER 645.A O no hydrogen 2.580 N/A TYR 650.A N SER 646.A O no hydrogen 2.962 N/A PHE 651.A N VAL 647.A O no hydrogen 3.033 N/A ARG 652.A N ASP 648.A O no hydrogen 3.068 N/A GLN 654.A N PHE 651.A O no hydrogen 2.848 N/A GLU 656.A N GLU 656.A OE1 no hydrogen 2.343 N/A LEU 657.A N GLN 654.A O no hydrogen 2.697 N/A SER 658.A N VAL 655.A O no hydrogen 2.795 N/A SER 658.A OG VAL 655.A O no hydrogen 2.133 N/A TYR 661.A N LEU 657.A O no hydrogen 3.107 N/A TYR 661.A OH ASP 648.A OD1 no hydrogen 3.160 N/A ARG 662.A N SER 658.A O no hydrogen 2.920 N/A HIS 663.A N THR 659.A O no hydrogen 3.275 N/A MET 664.A N MET 660.A O no hydrogen 2.893 N/A MET 664.A N TYR 661.A O no hydrogen 2.836 N/A GLU 665.A N TYR 661.A O no hydrogen 3.122 N/A GLU 665.A N ARG 662.A O no hydrogen 2.924 N/A LYS 666.A NZ ARG 662.A O no hydrogen 3.320 N/A HIS 667.A N MET 664.A O no hydrogen 2.872 N/A TYR 669.A N THR 641.A O no hydrogen 2.578 N/A GLU 670.A N GLU 674.A OE2 no hydrogen 2.317 N/A ALA 675.A N SER 671.A O no hydrogen 3.062 N/A ILE 676.A N ALA 672.A O no hydrogen 2.924 N/A GLN 677.A N ALA 673.A O no hydrogen 2.919 N/A ALA 678.A N GLU 674.A O no hydrogen 2.900 N/A VAL 679.A N ALA 675.A O no hydrogen 2.919 N/A ARG 680.A N ILE 676.A O no hydrogen 2.991 N/A ASP 681.A N ALA 678.A O no hydrogen 2.814 N/A HIS 685.A N ILE 638.A O no hydrogen 3.384 N/A PHE 687.A N LEU 516.A O no hydrogen 3.039 N/A TRP 689.A N THR 514.A O no hydrogen 3.050 N/A SER 691.A N GLN 511.A OE1 no hydrogen 3.213 N/A SER 691.A N GLY 512.A O no hydrogen 2.847 N/A SER 691.A OG GLN 511.A OE1 no hydrogen 2.456 N/A SER 691.A OG GLY 512.A O no hydrogen 2.890 N/A VAL 693.A N ASP 690.A O no hydrogen 3.359 N/A LEU 694.A N ASP 690.A O no hydrogen 3.305 N/A GLU 695.A N SER 691.A O no hydrogen 2.922 N/A GLU 697.A N VAL 693.A O no hydrogen 2.979 N/A ALA 698.A N LEU 694.A O no hydrogen 2.813 N/A SER 699.A N GLU 695.A O no hydrogen 2.940 N/A SER 699.A N PHE 696.A O no hydrogen 3.206 N/A GLN 700.A N PHE 696.A O no hydrogen 2.923 N/A GLN 700.A N GLU 697.A O no hydrogen 2.687 N/A THR 706.A OG1 THR 707.A O no hydrogen 3.341 N/A THR 707.A N THR 706.A OG1 no hydrogen 2.389 N/A GLU 709.A N GLU 709.A OE1 no hydrogen 2.311 N/A SER 714.A N GLN 511.A O no hydrogen 3.166 N/A SER 714.A OG GLY 715.A O no hydrogen 3.175 N/A GLY 719.A N ILE 488.A O no hydrogen 3.124 N/A MET 720.A N GLU 503.A O no hydrogen 3.454 N/A ARG 721.A NH1 LEU 480.A O no hydrogen 3.217 N/A ASP 723.A N ARG 721.A O no hydrogen 2.766 N/A LYS 727.A N SER 724.A O no hydrogen 2.888 N/A LYS 727.A NZ GLU 503.A OE2 no hydrogen 2.617 N/A GLN 728.A N PRO 725.A O no hydrogen 2.967 N/A VAL 730.A N TRP 726.A O no hydrogen 2.996 N/A SER 731.A N LYS 727.A O no hydrogen 3.282 N/A SER 733.A N GLN 729.A O no hydrogen 3.488 N/A ILE 734.A N VAL 730.A O no hydrogen 3.223 N/A LEU 735.A N SER 731.A O no hydrogen 3.196 N/A LYS 736.A N LEU 732.A O no hydrogen 3.035 N/A SER 737.A N SER 733.A O no hydrogen 3.012 N/A SER 737.A OG SER 733.A O no hydrogen 3.202 N/A SER 737.A OG ILE 734.A O no hydrogen 2.115 N/A HIS 738.A N ILE 734.A O no hydrogen 3.192 N/A HIS 738.A N LEU 735.A O no hydrogen 3.039 N/A GLU 739.A N LYS 736.A O no hydrogen 2.619 N/A ASP 745.A N GLY 741.A O no hydrogen 2.200 N/A LEU 746.A N PHE 742.A O no hydrogen 2.974 N/A TRP 750.A N ASP 747.A O no hydrogen 2.376 N/A VAL 751.A N ASP 747.A O no hydrogen 2.577 N/A CYS 756.A N SER 699.A O no hydrogen 3.386 N/A SER 758.A OG CYS 756.A O no hydrogen 2.309 N/A ASN 761.A ND2 ASP 616.A OD2 no hydrogen 2.908 N/A THR 765.A OG1 LEU 766.A O no hydrogen 3.271 N/A CYS 768.A SG THR 767.A O no hydrogen 3.225 N/A GLY 773.A N ASN 770.A O no hydrogen 2.369 N/A VAL 774.A N MET 771.A O no hydrogen 2.907 N/A PHE 775.A N MET 771.A O no hydrogen 2.536 N/A MET 776.A N ALA 772.A O no hydrogen 2.986 N/A VAL 778.A N VAL 774.A O no hydrogen 3.063 N/A ALA 779.A N PHE 775.A O no hydrogen 3.340 N/A GLY 780.A N MET 776.A O no hydrogen 2.990 N/A GLY 781.A N LEU 777.A O no hydrogen 2.922 N/A ILE 782.A N VAL 778.A O no hydrogen 3.140 N/A VAL 783.A N ALA 779.A O no hydrogen 3.062 N/A ALA 784.A N GLY 780.A O no hydrogen 3.204 N/A GLY 785.A N GLY 781.A O no hydrogen 3.467 N/A ILE 786.A N VAL 783.A O no hydrogen 2.980 N/A LEU 788.A N ALA 784.A O no hydrogen 3.127 N/A ILE 789.A N GLY 785.A O no hydrogen 2.703 N/A PHE 790.A N ILE 786.A O no hydrogen 3.206 N/A ILE 791.A N PHE 787.A O no hydrogen 2.939 N/A GLU 792.A N LEU 788.A O no hydrogen 2.554 N/A ILE 793.A N ILE 789.A O no hydrogen 2.966 N/A ALA 794.A N PHE 790.A O no hydrogen 3.037 N/A TYR 795.A N ILE 791.A O no hydrogen 3.026 N/A LYS 796.A N GLU 792.A O no hydrogen 2.950 N/A ARG 797.A N ILE 793.A O no hydrogen 2.493 N/A HIS 798.A N ALA 794.A O no hydrogen 2.564 N/A HIS 798.A N TYR 795.A O no hydrogen 2.961 N/A LYS 799.A N TYR 795.A O no hydrogen 2.525 N/A LYS 799.A N LYS 796.A O no hydrogen 3.208 N/A