Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whs_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N VAL 31.A O no hydrogen 2.279 N/A ILE 4.A N ARG 34.A O no hydrogen 3.146 N/A ALA 5.A N GLY 63.A O no hydrogen 2.968 N/A VAL 6.A N GLU 36.A O no hydrogen 3.294 N/A LEU 8.A N VAL 38.A O no hydrogen 3.080 N/A ILE 17.A N ASP 13.A O no hydrogen 2.935 N/A LYS 18.A N GLU 14.A O no hydrogen 2.916 N/A ASP 19.A N VAL 15.A O no hydrogen 2.892 N/A ALA 20.A N ALA 16.A O no hydrogen 2.872 N/A HIS 21.A N ILE 17.A O no hydrogen 2.922 N/A GLU 22.A N ASP 19.A O no hydrogen 3.052 N/A ARG 34.A N ILE 2.A O no hydrogen 2.651 N/A ARG 34.A NH2 ARG 59.A O no hydrogen 3.330 N/A VAL 38.A N VAL 6.A O no hydrogen 3.300 N/A ASP 44.A N SER 47.A OG no hydrogen 3.027 N/A SER 47.A N ASP 44.A OD1 no hydrogen 2.357 N/A SER 47.A OG ASP 44.A O no hydrogen 2.200 N/A SER 47.A OG ASP 44.A OD1 no hydrogen 2.805 N/A ILE 48.A N ASP 44.A O no hydrogen 3.355 N/A ILE 49.A N PRO 45.A O no hydrogen 2.848 N/A THR 50.A N LYS 46.A O no hydrogen 2.855 N/A THR 50.A OG1 LYS 46.A O no hydrogen 2.493 N/A THR 50.A OG1 SER 47.A O no hydrogen 2.480 N/A ARG 51.A N SER 47.A O no hydrogen 2.869 N/A ILE 52.A N ILE 48.A O no hydrogen 2.914 N/A CYS 53.A N ILE 49.A O no hydrogen 2.881 N/A CYS 53.A SG ILE 49.A O no hydrogen 2.921 N/A ASP 54.A N THR 50.A O no hydrogen 2.901 N/A LEU 55.A N ARG 51.A O no hydrogen 2.886 N/A MET 56.A N ILE 52.A O no hydrogen 2.923 N/A SER 57.A N CYS 53.A O no hydrogen 2.887 N/A SER 57.A OG CYS 53.A O no hydrogen 2.351 N/A SER 57.A OG ASP 54.A O no hydrogen 2.822 N/A ASP 58.A N ASP 54.A O no hydrogen 2.863 N/A ASP 58.A N LEU 55.A O no hydrogen 2.983 N/A ARG 59.A N LEU 55.A O no hydrogen 3.013 N/A GLN 62.A N GLY 3.A O no hydrogen 2.809 N/A VAL 64.A N PRO 89.A O no hydrogen 3.392 N/A VAL 65.A N ALA 5.A O no hydrogen 3.023 N/A THR 70.A N ASP 68.A OD2 no hydrogen 2.867 N/A THR 70.A OG1 ASP 68.A OD2 no hydrogen 3.072 N/A THR 70.A OG1 GLN 72.A OE1 no hydrogen 2.348 N/A GLN 77.A N GLU 73.A O no hydrogen 3.077 N/A ILE 78.A N ALA 74.A O no hydrogen 2.837 N/A LEU 79.A N ILE 75.A O no hydrogen 2.904 N/A ASP 80.A N ALA 76.A O no hydrogen 2.866 N/A PHE 81.A N GLN 77.A O no hydrogen 3.039 N/A ILE 82.A N ILE 78.A O no hydrogen 2.930 N/A SER 83.A N LEU 79.A O no hydrogen 2.885 N/A SER 83.A OG SER 108.A OG no hydrogen 2.453 N/A ALA 84.A N ASP 80.A O no hydrogen 2.847 N/A GLN 85.A N PHE 81.A O no hydrogen 2.840 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.246 N/A THR 88.A OG1 PRO 89.A O no hydrogen 3.107 N/A ILE 90.A N MET 109.A O no hydrogen 3.431 N/A LEU 91.A N VAL 64.A O no hydrogen 2.962 N/A GLY 92.A N PHE 111.A O no hydrogen 2.948 N/A ILE 93.A N PHE 66.A O no hydrogen 2.901 N/A SER 97.A OG HIS 94.A O no hydrogen 2.786 N/A SER 97.A OG SER 98.A OG no hydrogen 3.381 N/A SER 98.A N GLY 95.A O no hydrogen 2.877 N/A SER 98.A OG GLY 92.A O no hydrogen 2.761 N/A SER 98.A OG SER 97.A OG no hydrogen 3.381 N/A SER 98.A OG PHE 113.A O no hydrogen 3.197 N/A MET 99.A N GLY 96.A O no hydrogen 3.486 N/A SER 107.A N ASP 105.A OD1 no hydrogen 2.241 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 3.133 N/A SER 108.A OG ASP 80.A O no hydrogen 3.409 N/A SER 108.A OG SER 83.A OG no hydrogen 2.453 N/A MET 109.A N SER 83.A OG no hydrogen 2.491 N/A PHE 111.A N ILE 90.A O no hydrogen 2.975 N/A GLN 112.A N GLY 322.A O no hydrogen 3.440 N/A SER 116.A OG GLU 118.A OE1 no hydrogen 3.399 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.662 N/A GLN 119.A N SER 116.A OG no hydrogen 2.538 N/A ALA 121.A N ILE 117.A O no hydrogen 3.018 N/A SER 122.A N GLU 118.A O no hydrogen 2.874 N/A VAL 123.A N GLN 119.A O no hydrogen 2.933 N/A MET 124.A N GLN 120.A O no hydrogen 2.916 N/A LEU 125.A N ALA 121.A O no hydrogen 2.967 N/A ASN 126.A N SER 122.A O no hydrogen 2.926 N/A ILE 127.A N VAL 123.A O no hydrogen 2.916 N/A MET 128.A N MET 124.A O no hydrogen 2.882 N/A GLU 129.A N ASN 126.A O no hydrogen 3.349 N/A TRP 133.A N TYR 131.A O no hydrogen 2.821 N/A SER 137.A N ILE 194.A O no hydrogen 3.004 N/A SER 137.A OG GLU 167.A O no hydrogen 2.803 N/A VAL 139.A N LEU 196.A O no hydrogen 2.881 N/A THR 141.A OG1 THR 141.A O no hydrogen 2.438 N/A TYR 142.A N THR 140.A OG1 no hydrogen 3.373 N/A TYR 146.A N PHE 143.A O no hydrogen 3.047 N/A VAL 150.A N TYR 146.A O no hydrogen 2.990 N/A ASN 151.A N GLN 147.A O no hydrogen 2.955 N/A LYS 152.A N ASP 148.A O no hydrogen 2.877 N/A LYS 152.A NZ THR 156.A OG1 no hydrogen 2.823 N/A ILE 153.A N PHE 149.A O no hydrogen 2.960 N/A ARG 154.A N VAL 150.A O no hydrogen 2.921 N/A ARG 154.A NH2 ASN 151.A OD1 no hydrogen 3.282 N/A SER 155.A N ASN 151.A O no hydrogen 2.920 N/A SER 155.A OG GLU 158.A OE2 no hydrogen 3.360 N/A THR 156.A N LYS 152.A O no hydrogen 2.955 N/A THR 156.A N ILE 153.A O no hydrogen 3.039 N/A THR 156.A OG1 LYS 152.A O no hydrogen 2.777 N/A ILE 157.A N ILE 153.A O no hydrogen 2.930 N/A ILE 157.A N ARG 154.A O no hydrogen 2.939 N/A GLU 158.A N ARG 154.A O no hydrogen 3.002 N/A TRP 164.A N VAL 162.A O no hydrogen 2.640 N/A GLU 165.A N TYR 134.A O no hydrogen 3.302 N/A GLU 167.A N PHE 136.A O no hydrogen 3.199 N/A LEU 170.A N ILE 138.A O no hydrogen 2.978 N/A ILE 183.A N GLY 179.A O no hydrogen 3.276 N/A GLN 184.A N ASP 180.A O no hydrogen 2.875 N/A ASN 185.A N SER 181.A O no hydrogen 2.939 N/A ASN 185.A N LYS 182.A O no hydrogen 3.036 N/A GLN 186.A N LYS 182.A O no hydrogen 2.783 N/A LEU 187.A N ILE 183.A O no hydrogen 2.979 N/A LYS 188.A N ASN 185.A O no hydrogen 2.927 N/A SER 192.A OG ILE 194.A O no hydrogen 3.364 N/A ILE 194.A N SER 192.A OG no hydrogen 3.362 N/A LEU 196.A N SER 137.A O no hydrogen 2.892 N/A LEU 197.A N ILE 224.A O no hydrogen 3.249 N/A TYR 198.A N VAL 139.A O no hydrogen 3.265 N/A CYS 199.A SG THR 200.A O no hydrogen 3.384 N/A GLU 203.A N THR 200.A OG1 no hydrogen 3.158 N/A ALA 204.A N THR 200.A O no hydrogen 3.023 N/A THR 205.A OG1 GLU 202.A O no hydrogen 2.892 N/A ILE 207.A N GLU 203.A O no hydrogen 2.924 N/A PHE 208.A N ALA 204.A O no hydrogen 2.865 N/A GLU 209.A N THR 205.A O no hydrogen 2.983 N/A VAL 210.A N TYR 206.A O no hydrogen 2.944 N/A ALA 211.A N ILE 207.A O no hydrogen 2.823 N/A ASN 212.A N PHE 208.A O no hydrogen 2.932 N/A SER 213.A N GLU 209.A O no hydrogen 2.941 N/A SER 213.A OG VAL 210.A O no hydrogen 2.311 N/A VAL 214.A N ALA 211.A O no hydrogen 2.758 N/A GLY 215.A N ALA 211.A O no hydrogen 3.069 N/A THR 217.A OG1 GLY 215.A O no hydrogen 3.089 N/A THR 222.A OG1 TYR 221.A O no hydrogen 2.422 N/A VAL 229.A N PRO 226.A O no hydrogen 3.260 N/A ALA 230.A N SER 227.A O no hydrogen 2.702 N/A THR 242.A OG1 ASN 335.A O no hydrogen 3.056 N/A ILE 245.A N TRP 223.A O no hydrogen 3.389 N/A SER 246.A N ILE 332.A O no hydrogen 2.937 N/A SER 246.A OG VAL 225.A O no hydrogen 2.181 N/A VAL 247.A N SER 246.A OG no hydrogen 2.555 N/A SER 248.A N VAL 330.A O no hydrogen 2.897 N/A SER 248.A OG TYR 249.A O no hydrogen 3.136 N/A ASP 253.A N ASP 250.A O no hydrogen 2.849 N/A TYR 254.A N GLU 251.A O no hydrogen 2.995 N/A GLY 255.A N GLU 251.A O no hydrogen 3.043 N/A ARG 259.A N LEU 256.A O no hydrogen 2.902 N/A ARG 261.A N PRO 257.A O no hydrogen 2.874 N/A ASP 262.A N ALA 258.A O no hydrogen 2.851 N/A GLY 263.A N ARG 259.A O no hydrogen 2.930 N/A ILE 264.A N VAL 260.A O no hydrogen 2.950 N/A ALA 265.A N ARG 261.A O no hydrogen 2.880 N/A ILE 266.A N ASP 262.A O no hydrogen 2.924 N/A ILE 267.A N GLY 263.A O no hydrogen 2.996 N/A THR 268.A N ILE 264.A O no hydrogen 2.946 N/A THR 268.A OG1 ILE 264.A O no hydrogen 2.393 N/A THR 269.A N ALA 265.A O no hydrogen 2.892 N/A ALA 270.A N ILE 266.A O no hydrogen 2.973 N/A ALA 271.A N ILE 267.A O no hydrogen 2.947 N/A SER 272.A N THR 268.A O no hydrogen 2.901 N/A ASP 273.A N THR 269.A O no hydrogen 2.924 N/A MET 274.A N ALA 270.A O no hydrogen 2.931 N/A LEU 275.A N ALA 271.A O no hydrogen 3.276 N/A SER 276.A N SER 272.A O no hydrogen 3.423 N/A SER 276.A OG SER 272.A O no hydrogen 2.758 N/A HIS 278.A N MET 274.A O no hydrogen 3.116 N/A SER 279.A N SER 276.A O no hydrogen 2.827 N/A SER 286.A OG PRO 284.A O no hydrogen 2.986 N/A SER 287.A OG TYR 289.A O no hydrogen 2.924 N/A SER 287.A OG ASN 290.A O no hydrogen 2.409 N/A THR 291.A OG1 CYS 288.A O no hydrogen 3.255 N/A LYS 294.A N THR 291.A O no hydrogen 2.892 N/A ARG 304.A N ASN 303.A OD1 no hydrogen 2.728 N/A TYR 305.A N LEU 302.A O no hydrogen 2.895 N/A LEU 306.A N LEU 302.A O no hydrogen 2.447 N/A LEU 306.A N ASN 303.A O no hydrogen 3.247 N/A ASN 308.A N TYR 305.A O no hydrogen 3.442 N/A THR 310.A OG1 ARG 314.A O no hydrogen 2.999 N/A PHE 311.A N ARG 314.A O no hydrogen 3.469 N/A SER 317.A N ASP 315.A OD1 no hydrogen 2.786 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 3.449 N/A SER 317.A OG ASP 315.A OD2 no hydrogen 3.258 N/A PHE 318.A N ILE 307.A O no hydrogen 3.188 N/A SER 319.A N TYR 323.A O no hydrogen 3.447 N/A LEU 329.A N TRP 346.A O no hydrogen 2.942 N/A VAL 330.A N SER 248.A O no hydrogen 2.805 N/A ILE 331.A N GLY 344.A O no hydrogen 2.830 N/A ILE 332.A N SER 246.A O no hydrogen 2.921 N/A LEU 334.A N LEU 244.A O no hydrogen 2.520 N/A ASN 335.A N LYS 339.A O no hydrogen 3.256 N/A ARG 338.A NH1 SER 238.A O no hydrogen 3.077 N/A ARG 338.A NH2 LYS 336.A O no hydrogen 3.566 N/A LYS 339.A N GLU 337.A O no hydrogen 2.951 N/A VAL 343.A N ILE 331.A O no hydrogen 3.011 N/A GLY 344.A N ILE 331.A O no hydrogen 2.983 N/A LYS 345.A N GLN 352.A O no hydrogen 2.896 N/A LYS 347.A N SER 350.A O no hydrogen 2.962 N/A SER 350.A N LYS 347.A O no hydrogen 2.912 N/A GLN 352.A N LYS 345.A O no hydrogen 2.937 N/A GLN 352.A NE2 MET 353.A O no hydrogen 2.273 N/A HIS 364.A ND1 THR 434.A OG1 no hydrogen 2.582 N/A SER 366.A OG ALA 465.A O no hydrogen 2.294 N/A VAL 368.A N MET 467.A O no hydrogen 3.133 N/A GLU 372.A N VAL 376.A O no hydrogen 3.183 N/A PHE 375.A N GLU 372.A O no hydrogen 2.988 N/A VAL 376.A N GLU 372.A O no hydrogen 2.930 N/A ILE 377.A N LYS 417.A O no hydrogen 2.841 N/A LEU 384.A N ASP 382.A OD2 no hydrogen 2.861 N/A SER 385.A N ASP 382.A OD2 no hydrogen 3.011 N/A THR 387.A OG1 TYR 134.A OH no hydrogen 3.040 N/A THR 387.A OG1 CYS 388.A O no hydrogen 3.509 N/A CYS 388.A SG MET 389.A O no hydrogen 3.685 N/A THR 392.A OG1 VAL 393.A O no hydrogen 3.388 N/A THR 392.A OG1 CYS 416.A O no hydrogen 2.303 N/A VAL 393.A N CYS 416.A O no hydrogen 3.242 N/A CYS 395.A N LYS 414.A O no hydrogen 2.294 N/A CYS 395.A SG VAL 393.A O no hydrogen 3.750 N/A GLN 396.A N LEU 437.A O no hydrogen 3.004 N/A SER 401.A OG THR 405.A O no hydrogen 3.320 N/A THR 405.A OG1 LYS 404.A O no hydrogen 2.554 N/A GLU 407.A N ASP 406.A OD1 no hydrogen 2.404 N/A TYR 411.A N PRO 409.A O no hydrogen 2.416 N/A LYS 413.A NZ ASP 132.A OD1 no hydrogen 3.110 N/A LYS 413.A NZ ASP 132.A OD2 no hydrogen 3.259 N/A LYS 414.A N CYS 395.A O no hydrogen 3.165 N/A CYS 415.A N GLU 379.A O no hydrogen 2.946 N/A CYS 415.A SG GLU 379.A O no hydrogen 3.649 N/A CYS 416.A N VAL 393.A O no hydrogen 3.163 N/A LYS 417.A N ILE 377.A O no hydrogen 2.939 N/A PHE 419.A N PHE 375.A O no hydrogen 3.036 N/A CYS 420.A N PHE 375.A O no hydrogen 3.326 N/A CYS 420.A SG GLY 470.A O no hydrogen 3.083 N/A ILE 423.A N PHE 419.A O no hydrogen 2.997 N/A LEU 424.A N CYS 420.A O no hydrogen 2.938 N/A LYS 425.A N ILE 421.A O no hydrogen 2.913 N/A LYS 426.A N ASP 422.A O no hydrogen 2.990 N/A LYS 426.A NZ GLU 730.A OE1 no hydrogen 2.255 N/A ILE 427.A N ILE 423.A O no hydrogen 3.024 N/A SER 428.A N LEU 424.A O no hydrogen 2.888 N/A LYS 429.A N LYS 425.A O no hydrogen 3.006 N/A SER 430.A N LYS 426.A O no hydrogen 2.934 N/A VAL 431.A N ILE 427.A O no hydrogen 2.936 N/A THR 434.A N ASP 363.A O no hydrogen 3.321 N/A THR 434.A OG1 HIS 364.A ND1 no hydrogen 2.582 N/A TYR 438.A N ILE 367.A O no hydrogen 3.305 N/A GLY 443.A N THR 441.A O no hydrogen 2.634 N/A ILE 449.A N THR 452.A O no hydrogen 2.550 N/A THR 452.A N ILE 449.A O no hydrogen 2.700 N/A THR 452.A OG1 ASN 450.A O no hydrogen 3.160 N/A GLY 455.A N ASN 442.A O no hydrogen 2.760 N/A GLY 458.A N ASN 454.A O no hydrogen 2.603 N/A GLU 459.A N GLY 455.A O no hydrogen 2.873 N/A VAL 460.A N MET 456.A O no hydrogen 2.898 N/A VAL 460.A N ILE 457.A O no hydrogen 3.041 N/A VAL 461.A N ILE 457.A O no hydrogen 2.908 N/A VAL 461.A N GLY 458.A O no hydrogen 3.099 N/A MET 462.A N GLY 458.A O no hydrogen 3.231 N/A ALA 465.A N GLU 459.A O no hydrogen 2.989 N/A ALA 468.A N ALA 707.A O no hydrogen 2.730 N/A VAL 469.A N VAL 368.A O no hydrogen 3.335 N/A ARG 478.A N ASN 475.A OD1 no hydrogen 2.515 N/A GLU 480.A N GLU 477.A O no hydrogen 2.570 N/A VAL 481.A N ARG 478.A O no hydrogen 3.150 N/A VAL 482.A N ARG 478.A O no hydrogen 3.176 N/A SER 485.A N ILE 706.A O no hydrogen 3.185 N/A SER 485.A OG ILE 706.A O no hydrogen 3.187 N/A VAL 486.A N ASP 719.A OD1 no hydrogen 3.033 N/A THR 491.A N THR 702.A O no hydrogen 2.861 N/A SER 494.A N TYR 673.A O no hydrogen 2.952 N/A SER 494.A OG VAL 495.A O no hydrogen 3.448 N/A SER 494.A OG THR 692.A OG1 no hydrogen 3.285 N/A MET 496.A N PHE 671.A O no hydrogen 2.893 N/A VAL 497.A N VAL 691.A O no hydrogen 2.966 N/A ARG 499.A N LYS 689.A O no hydrogen 3.065 N/A THR 503.A OG1 SER 505.A OG no hydrogen 3.363 N/A SER 505.A OG THR 503.A OG1 no hydrogen 3.363 N/A GLU 511.A N ALA 508.A O no hydrogen 2.780 N/A VAL 517.A N SER 514.A OG no hydrogen 2.542 N/A VAL 519.A N CYS 516.A O no hydrogen 2.581 N/A MET 521.A N VAL 517.A O no hydrogen 2.903 N/A PHE 522.A N TRP 518.A O no hydrogen 2.863 N/A VAL 523.A N VAL 519.A O no hydrogen 2.881 N/A MET 524.A N MET 520.A O no hydrogen 2.910 N/A LEU 525.A N MET 521.A O no hydrogen 2.854 N/A LEU 526.A N PHE 522.A O no hydrogen 2.972 N/A ILE 527.A N VAL 523.A O no hydrogen 2.856 N/A VAL 528.A N MET 524.A O no hydrogen 2.931 N/A SER 529.A N LEU 525.A O no hydrogen 2.993 N/A SER 529.A OG LEU 526.A O no hydrogen 2.088 N/A ALA 530.A N ILE 527.A O no hydrogen 2.650 N/A VAL 531.A N ILE 527.A O no hydrogen 3.416 N/A ALA 532.A N VAL 528.A O no hydrogen 2.897 N/A VAL 533.A N SER 529.A O no hydrogen 2.974 N/A PHE 534.A N ALA 530.A O no hydrogen 2.905 N/A VAL 535.A N VAL 531.A O no hydrogen 2.840 N/A PHE 536.A N ALA 532.A O no hydrogen 2.902 N/A GLU 537.A N PHE 534.A O no hydrogen 2.997 N/A TYR 538.A N VAL 535.A O no hydrogen 3.202 N/A ALA 547.A N THR 543.A O no hydrogen 2.913 N/A ILE 548.A N ILE 544.A O no hydrogen 2.935 N/A TRP 549.A N GLY 545.A O no hydrogen 2.920 N/A LEU 550.A N LYS 546.A O no hydrogen 2.902 N/A LEU 551.A N ALA 547.A O no hydrogen 2.972 N/A TRP 552.A N ILE 548.A O no hydrogen 2.911 N/A GLY 553.A N TRP 549.A O no hydrogen 2.897 N/A LEU 554.A N LEU 550.A O no hydrogen 2.864 N/A VAL 555.A N LEU 551.A O no hydrogen 3.040 N/A ASN 557.A N GLY 553.A O no hydrogen 3.274 N/A SER 559.A N ASN 557.A O no hydrogen 2.311 N/A SER 559.A OG ASN 557.A O no hydrogen 2.567 N/A GLN 563.A NE2 ASN 564.A O no hydrogen 2.181 N/A SER 570.A OG GLY 567.A O no hydrogen 2.900 N/A LYS 571.A N GLY 567.A O no hydrogen 2.714 N/A ILE 572.A N THR 568.A O no hydrogen 2.999 N/A MET 573.A N THR 569.A O no hydrogen 2.867 N/A VAL 574.A N SER 570.A O no hydrogen 2.912 N/A SER 575.A N ILE 572.A O no hydrogen 2.929 N/A SER 575.A OG LYS 571.A O no hydrogen 3.313 N/A ALA 578.A N VAL 574.A O no hydrogen 2.906 N/A PHE 579.A N SER 575.A O no hydrogen 2.938 N/A PHE 580.A N VAL 576.A O no hydrogen 2.938 N/A ALA 581.A N TRP 577.A O no hydrogen 2.892 N/A VAL 582.A N ALA 578.A O no hydrogen 2.935 N/A ILE 583.A N PHE 579.A O no hydrogen 3.015 N/A PHE 584.A N PHE 580.A O no hydrogen 2.907 N/A LEU 585.A N ALA 581.A O no hydrogen 2.925 N/A SER 587.A N ILE 583.A O no hydrogen 2.945 N/A SER 587.A OG PHE 584.A O no hydrogen 2.643 N/A TYR 588.A N PHE 584.A O no hydrogen 2.928 N/A THR 589.A N LEU 585.A O no hydrogen 2.988 N/A THR 589.A OG1 LEU 585.A O no hydrogen 3.474 N/A ALA 590.A N ALA 586.A O no hydrogen 2.939 N/A ASN 591.A N SER 587.A O no hydrogen 2.926 N/A LEU 592.A N TYR 588.A O no hydrogen 2.959 N/A ALA 593.A N THR 589.A O no hydrogen 2.960 N/A ALA 594.A N ALA 590.A O no hydrogen 2.923 N/A PHE 595.A N ASN 591.A O no hydrogen 2.894 N/A MET 596.A N LEU 592.A O no hydrogen 2.918 N/A ILE 597.A N ALA 593.A O no hydrogen 2.944 N/A ILE 597.A N ALA 594.A O no hydrogen 2.819 N/A GLN 598.A N ALA 594.A O no hydrogen 3.476 N/A TYR 601.A N GLU 749.A OE2 no hydrogen 2.823 N/A ASP 610.A N GLY 607.A O no hydrogen 3.013 N/A LYS 612.A N ASP 610.A OD1 no hydrogen 2.587 N/A PHE 613.A N ASP 610.A O no hydrogen 3.047 N/A GLN 614.A N ASP 610.A O no hydrogen 3.030 N/A ARG 615.A N LYS 611.A O no hydrogen 2.841 N/A ASP 618.A N ARG 615.A O no hydrogen 3.158 N/A PHE 619.A N PRO 616.A O no hydrogen 3.305 N/A ARG 624.A N ASP 669.A OD1 no hydrogen 2.754 N/A ARG 624.A N ASP 669.A OD2 no hydrogen 3.124 N/A ARG 624.A NH2 GLY 666.A O no hydrogen 2.934 N/A THR 627.A OG1 VAL 628.A O no hydrogen 3.460 N/A THR 627.A OG1 THR 633.A OG1 no hydrogen 3.428 N/A THR 627.A OG1 ILE 672.A O no hydrogen 3.084 N/A THR 633.A OG1 THR 627.A OG1 no hydrogen 3.428 N/A ARG 635.A N GLY 631.A O no hydrogen 3.434 N/A ARG 635.A NE GLU 477.A OE2 no hydrogen 2.589 N/A ARG 635.A NH1 ARG 635.A O no hydrogen 2.167 N/A ASN 636.A N SER 632.A O no hydrogen 2.870 N/A ASN 636.A N THR 633.A O no hydrogen 2.976 N/A ILE 637.A N THR 633.A O no hydrogen 2.877 N/A ARG 638.A N GLU 634.A O no hydrogen 2.911 N/A ASN 639.A N ASN 636.A O no hydrogen 3.045 N/A ASN 640.A N ILE 637.A O no hydrogen 2.863 N/A TYR 641.A N ILE 637.A O no hydrogen 3.430 N/A MET 644.A N TYR 641.A O no hydrogen 2.490 N/A HIS 645.A N TYR 641.A O no hydrogen 3.140 N/A ALA 646.A N ALA 642.A O no hydrogen 2.892 N/A TYR 647.A N GLU 643.A O no hydrogen 2.931 N/A TYR 647.A OH PHE 623.A O no hydrogen 2.739 N/A MET 648.A N MET 644.A O no hydrogen 2.924 N/A GLY 649.A N ALA 646.A O no hydrogen 2.971 N/A LYS 650.A N TYR 647.A O no hydrogen 3.449 N/A PHE 651.A N MET 648.A O no hydrogen 3.251 N/A GLN 653.A NE2 SER 662.A OG no hydrogen 2.910 N/A ARG 654.A NE ASP 658.A OD2 no hydrogen 2.983 N/A ASP 658.A N ASP 657.A OD1 no hydrogen 2.829 N/A LEU 660.A N VAL 656.A O no hydrogen 2.960 N/A LEU 661.A N ASP 657.A O no hydrogen 2.916 N/A SER 662.A N ASP 658.A O no hydrogen 2.916 N/A SER 662.A OG ASP 658.A O no hydrogen 3.266 N/A LEU 663.A N ALA 659.A O no hydrogen 2.860 N/A LYS 664.A N LEU 660.A O no hydrogen 2.894 N/A LYS 664.A N LEU 661.A O no hydrogen 2.783 N/A LYS 664.A NZ ASP 685.A OD1 no hydrogen 2.781 N/A LYS 664.A NZ ASP 685.A OD2 no hydrogen 2.970 N/A THR 665.A N LEU 661.A O no hydrogen 2.965 N/A THR 665.A OG1 LEU 661.A O no hydrogen 3.188 N/A LYS 667.A N SER 662.A O no hydrogen 3.164 N/A LEU 668.A N SER 662.A O no hydrogen 3.307 N/A ASP 669.A N ARG 624.A O no hydrogen 3.226 N/A ILE 672.A N GLY 626.A O no hydrogen 3.388 N/A TYR 673.A N SER 494.A O no hydrogen 3.096 N/A ASN 679.A N ALA 675.A O no hydrogen 2.960 N/A TYR 680.A N ALA 676.A O no hydrogen 2.929 N/A MET 681.A N VAL 677.A O no hydrogen 2.939 N/A ALA 682.A N LEU 678.A O no hydrogen 2.804 N/A GLY 683.A N ASN 679.A O no hydrogen 3.437 N/A ARG 684.A N MET 681.A O no hydrogen 3.293 N/A VAL 691.A N VAL 497.A O no hydrogen 2.994 N/A THR 692.A OG1 SER 494.A OG no hydrogen 3.285 N/A THR 692.A OG1 VAL 495.A O no hydrogen 3.285 N/A THR 692.A OG1 ILE 693.A O no hydrogen 3.545 N/A ILE 693.A N VAL 495.A O no hydrogen 3.345 N/A GLY 696.A N ILE 693.A O no hydrogen 3.334 N/A PHE 699.A N ILE 493.A O no hydrogen 3.318 N/A THR 702.A N THR 491.A O no hydrogen 2.941 N/A THR 702.A OG1 ILE 474.A O no hydrogen 3.403 N/A GLY 703.A N THR 702.A OG1 no hydrogen 2.469 N/A TYR 704.A N ILE 489.A O no hydrogen 3.187 N/A ILE 706.A N SER 485.A OG no hydrogen 2.876 N/A ALA 707.A N ALA 468.A O no hydrogen 3.236 N/A SER 712.A OG TYR 466.A OH no hydrogen 2.907 N/A TRP 714.A N SER 712.A OG no hydrogen 2.788 N/A LYS 715.A N SER 712.A O no hydrogen 3.339 N/A ARG 716.A N GLY 713.A O no hydrogen 3.010 N/A VAL 718.A N TRP 714.A O no hydrogen 2.789 N/A ASP 719.A N LYS 715.A O no hydrogen 2.929 N/A LEU 720.A N ARG 716.A O no hydrogen 3.394 N/A ILE 722.A N VAL 718.A O no hydrogen 3.208 N/A LEU 723.A N ASP 719.A O no hydrogen 3.271 N/A GLN 724.A N LEU 720.A O no hydrogen 2.904 N/A LEU 725.A N ILE 722.A O no hydrogen 2.889 N/A GLY 727.A N GLN 724.A O no hydrogen 2.917 N/A ASP 728.A N LEU 725.A O no hydrogen 3.129 N/A GLU 732.A N GLY 729.A O no hydrogen 2.581 N/A GLU 733.A N GLY 729.A O no hydrogen 3.134 N/A LEU 734.A N GLU 730.A O no hydrogen 2.950 N/A GLU 735.A N MET 731.A O no hydrogen 2.849 N/A ALA 736.A N GLU 732.A O no hydrogen 2.876 N/A LEU 737.A N GLU 733.A O no hydrogen 2.887 N/A LEU 737.A N LEU 734.A O no hydrogen 2.913 N/A TRP 738.A N LEU 734.A O no hydrogen 2.964 N/A TRP 738.A N GLU 735.A O no hydrogen 2.962 N/A LEU 739.A N GLU 735.A O no hydrogen 2.765 N/A THR 740.A OG1 GLY 741.A O no hydrogen 3.232 N/A ILE 742.A N GLY 683.A O no hydrogen 3.427 N/A CYS 743.A SG GLY 687.A O no hydrogen 3.029 N/A SER 753.A OG MET 751.A O no hydrogen 3.397 N/A LEU 755.A N SER 753.A O no hydrogen 2.683 N/A ILE 757.A N ASP 756.A OD1 no hydrogen 2.326 N/A GLY 762.A N ASN 759.A O no hydrogen 3.116 N/A PHE 764.A N MET 760.A O no hydrogen 2.984 N/A TYR 765.A N ALA 761.A O no hydrogen 2.846 N/A MET 766.A N GLY 762.A O no hydrogen 2.937 N/A LEU 767.A N VAL 763.A O no hydrogen 2.937 N/A GLY 768.A N PHE 764.A O no hydrogen 2.924 N/A ALA 769.A N TYR 765.A O no hydrogen 2.895 N/A ALA 770.A N MET 766.A O no hydrogen 2.945 N/A MET 771.A N LEU 767.A O no hydrogen 2.976 N/A ALA 772.A N GLY 768.A O no hydrogen 2.944 N/A LEU 773.A N ALA 769.A O no hydrogen 2.937 N/A SER 774.A N ALA 770.A O no hydrogen 2.888 N/A SER 774.A OG ALA 770.A O no hydrogen 2.744 N/A SER 774.A OG MET 771.A O no hydrogen 2.365 N/A LEU 775.A N MET 771.A O no hydrogen 3.004 N/A ILE 776.A N ALA 772.A O no hydrogen 2.955 N/A THR 777.A N LEU 773.A O no hydrogen 2.918 N/A THR 777.A OG1 LEU 773.A O no hydrogen 3.006 N/A THR 777.A OG1 SER 774.A O no hydrogen 2.482 N/A PHE 778.A N SER 774.A O no hydrogen 2.901 N/A ILE 779.A N LEU 775.A O no hydrogen 2.984 N/A SER 780.A N ILE 776.A O no hydrogen 2.944 N/A SER 780.A OG THR 777.A O no hydrogen 2.622 N/A GLU 781.A N THR 777.A O no hydrogen 2.868 N/A HIS 782.A N PHE 778.A O no hydrogen 2.876 N/A LEU 783.A N ILE 779.A O no hydrogen 2.926 N/A PHE 784.A N SER 780.A O no hydrogen 2.931 N/A TYR 785.A N GLU 781.A O no hydrogen 2.819 N/A TRP 786.A N HIS 782.A O no hydrogen 3.031 N/A GLN 787.A N PHE 784.A O no hydrogen 3.085 N/A