Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 2.A OD1 no hydrogen 2.062 N/A ILE 5.A N ASP 31.A O no hydrogen 3.091 N/A GLN 6.A N GLY 61.A O no hydrogen 3.130 N/A ARG 9.A N LEU 63.A O no hydrogen 2.887 N/A GLU 11.A N LEU 65.A O no hydrogen 2.771 N/A THR 16.A OG1 THR 16.A O no hydrogen 2.409 N/A VAL 21.A N PRO 18.A O no hydrogen 1.850 N/A ASN 23.A N SER 19.A O no hydrogen 3.104 N/A TYR 24.A N VAL 21.A O no hydrogen 1.862 N/A LEU 25.A N VAL 21.A O no hydrogen 3.411 N/A GLY 30.A N ILE 5.A O no hydrogen 2.652 N/A ASP 35.A N ASN 34.A OD1 no hydrogen 2.519 N/A THR 36.A OG1 ASN 34.A OD1 no hydrogen 3.037 N/A HIS 37.A N ASN 34.A OD1 no hydrogen 3.453 N/A GLY 38.A N ASP 35.A O no hydrogen 2.317 N/A ALA 40.A N THR 36.A O no hydrogen 2.886 N/A ILE 41.A N HIS 37.A O no hydrogen 2.889 N/A LYS 43.A N SER 39.A O no hydrogen 2.873 N/A SER 44.A N ALA 40.A O no hydrogen 2.878 N/A LEU 45.A N ILE 41.A O no hydrogen 2.915 N/A TYR 46.A N ILE 42.A O no hydrogen 2.839 N/A TYR 46.A OH ASP 52.A O no hydrogen 3.409 N/A GLY 49.A N TYR 46.A O no hydrogen 3.228 N/A ASP 52.A N GLU 69.A O no hydrogen 2.210 N/A GLU 57.A N LEU 64.A O no hydrogen 2.853 N/A ALA 59.A N GLN 62.A O no hydrogen 2.933 N/A GLN 62.A N ALA 59.A O no hydrogen 2.944 N/A LEU 63.A N ASP 7.A O no hydrogen 3.231 N/A LEU 64.A N GLU 57.A O no hydrogen 2.841 N/A LEU 65.A N ARG 9.A O no hydrogen 3.115 N/A THR 66.A N ARG 55.A O no hydrogen 2.973 N/A VAL 67.A N GLU 11.A O no hydrogen 3.101 N/A ILE 68.A N ASP 53.A O no hydrogen 2.839 N/A ARG 70.A NH1 GLY 49.A O no hydrogen 3.434 N/A ILE 73.A N SER 101.A O no hydrogen 2.930 N/A GLY 74.A N VAL 142.A O no hydrogen 2.757 N/A SER 75.A OG GLY 74.A O no hydrogen 2.757 N/A ASN 77.A N ILE 144.A O no hydrogen 2.926 N/A THR 79.A N ILE 146.A O no hydrogen 2.899 N/A THR 79.A OG1 THR 79.A O no hydrogen 2.458 N/A LYS 82.A N GLU 150.A OE1 no hydrogen 2.452 N/A MET 83.A N GLU 150.A OE2 no hydrogen 2.919 N/A ASN 86.A ND2 ILE 78.A O no hydrogen 2.481 N/A ALA 88.A N GLN 85.A O no hydrogen 3.276 N/A ILE 89.A N GLN 85.A O no hydrogen 3.427 N/A ILE 89.A N ASN 86.A O no hydrogen 2.730 N/A LYS 90.A N ASN 86.A O no hydrogen 2.930 N/A LYS 90.A NZ LEU 76.A O no hydrogen 2.864 N/A LYS 91.A N ASP 87.A O no hydrogen 2.922 N/A ASN 92.A N ALA 88.A O no hydrogen 2.895 N/A GLU 94.A N LYS 90.A O no hydrogen 2.924 N/A SER 95.A OG ASN 92.A O no hydrogen 2.561 N/A PHE 96.A N LEU 93.A O no hydrogen 3.077 N/A GLN 100.A NE2 GLY 74.A O no hydrogen 2.599 N/A SER 101.A N ILE 73.A O no hydrogen 2.757 N/A GLN 102.A N GLN 100.A O no hydrogen 2.870 N/A PHE 104.A N PRO 71.A O no hydrogen 3.279 N/A THR 108.A OG1 ASN 105.A O no hydrogen 3.196 N/A ASN 110.A N GLN 106.A O no hydrogen 2.906 N/A GLN 111.A N ALA 107.A O no hydrogen 2.970 N/A ALA 112.A N THR 108.A O no hydrogen 2.850 N/A VAL 113.A N LEU 109.A O no hydrogen 2.934 N/A ALA 114.A N ASN 110.A O no hydrogen 2.951 N/A GLY 115.A N GLN 111.A O no hydrogen 2.906 N/A LEU 116.A N ALA 112.A O no hydrogen 2.930 N/A LYS 117.A N VAL 113.A O no hydrogen 2.929 N/A GLU 118.A N ALA 114.A O no hydrogen 3.052 N/A GLU 119.A N GLY 115.A O no hydrogen 2.936 N/A GLU 119.A N LEU 116.A O no hydrogen 2.579 N/A TYR 120.A N LEU 116.A O no hydrogen 2.947 N/A TYR 120.A OH GLU 150.A OE1 no hydrogen 3.251 N/A LEU 121.A N LYS 117.A O no hydrogen 2.902 N/A GLY 122.A N GLU 118.A O no hydrogen 3.082 N/A ARG 123.A N GLU 119.A O no hydrogen 2.942 N/A LYS 125.A NZ SER 153.A OG no hydrogen 1.802 N/A ASN 127.A ND2 GLY 151.A O no hydrogen 3.341 N/A ASN 127.A ND2 ASP 229.A O no hydrogen 2.461 N/A ASN 127.A ND2 LYS 230.A O no hydrogen 3.662 N/A GLN 129.A N ASP 149.A O no hydrogen 2.981 N/A THR 131.A N THR 147.A O no hydrogen 2.890 N/A LYS 133.A N ASP 145.A O no hydrogen 2.935 N/A THR 135.A N ASP 143.A O no hydrogen 3.011 N/A LEU 137.A N ARG 141.A O no hydrogen 3.265 N/A VAL 142.A N THR 72.A O no hydrogen 2.357 N/A ASP 143.A N THR 135.A O no hydrogen 2.937 N/A ILE 144.A N SER 75.A O no hydrogen 3.062 N/A ASP 145.A N LYS 133.A O no hydrogen 2.938 N/A ILE 146.A N ASN 77.A O no hydrogen 2.796 N/A THR 147.A N THR 131.A O no hydrogen 3.040 N/A ILE 148.A N THR 79.A O no hydrogen 3.007 N/A ASP 149.A N GLN 129.A O no hydrogen 2.887 N/A LYS 152.A N GLU 150.A O no hydrogen 3.002 N/A SER 153.A OG LYS 152.A O no hydrogen 2.448 N/A LYS 155.A N THR 231.A O no hydrogen 2.804 N/A ILE 156.A N ASP 191.A O no hydrogen 3.049 N/A THR 157.A N GLN 233.A O no hydrogen 3.262 N/A GLU 160.A N ILE 235.A O no hydrogen 2.853 N/A PHE 161.A N ASP 169.A OD2 no hydrogen 3.022 N/A GLU 162.A N ILE 237.A O no hydrogen 2.871 N/A ASN 164.A ND2 PHE 161.A O no hydrogen 3.173 N/A ASN 164.A ND2 ASP 169.A OD1 no hydrogen 2.986 N/A TYR 167.A OH ASN 212.A OD1 no hydrogen 2.294 N/A LEU 172.A N SER 168.A O no hydrogen 2.856 N/A MET 173.A N ASP 169.A O no hydrogen 2.914 N/A ARG 174.A N ARG 170.A O no hydrogen 2.948 N/A ARG 174.A N LYS 171.A O no hydrogen 2.652 N/A GLN 175.A N LYS 171.A O no hydrogen 2.968 N/A GLN 175.A N LEU 172.A O no hydrogen 2.576 N/A SER 177.A OG SER 177.A O no hydrogen 2.528 N/A SER 177.A OG ASP 201.A OD1 no hydrogen 3.502 N/A THR 179.A N SER 190.A O no hydrogen 2.869 N/A THR 179.A OG1 SER 190.A OG no hydrogen 2.045 N/A THR 185.A OG1 GLY 182.A O no hydrogen 3.445 N/A THR 185.A OG1 THR 185.A O no hydrogen 2.464 N/A TRP 186.A N TRP 184.A O no hydrogen 3.274 N/A TRP 186.A NE1 ILE 183.A O no hydrogen 3.132 N/A SER 190.A N THR 188.A OG1 no hydrogen 3.095 N/A SER 190.A OG THR 179.A OG1 no hydrogen 2.045 N/A ARG 192.A N ARG 189.A O no hydrogen 2.696 N/A PHE 193.A N ALA 154.A O no hydrogen 3.211 N/A ARG 195.A N GLY 122.A O no hydrogen 2.934 N/A PHE 198.A N ASP 194.A O no hydrogen 2.997 N/A PHE 198.A N ARG 195.A O no hydrogen 2.744 N/A ALA 199.A N ARG 195.A O no hydrogen 2.895 N/A GLN 200.A N GLN 196.A O no hydrogen 2.885 N/A ASP 201.A N LYS 197.A O no hydrogen 2.937 N/A MET 202.A N PHE 198.A O no hydrogen 2.994 N/A GLU 203.A N ALA 199.A O no hydrogen 2.927 N/A LYS 204.A N GLN 200.A O no hydrogen 2.877 N/A LYS 204.A NZ SER 177.A OG no hydrogen 3.040 N/A VAL 205.A N ASP 201.A O no hydrogen 2.957 N/A THR 206.A N MET 202.A O no hydrogen 2.940 N/A THR 206.A OG1 MET 202.A O no hydrogen 3.084 N/A ASP 207.A N GLU 203.A O no hydrogen 2.869 N/A PHE 208.A N LYS 204.A O no hydrogen 2.948 N/A GLN 210.A N ASP 207.A O no hydrogen 2.675 N/A GLN 210.A NE2 TYR 214.A O no hydrogen 2.173 N/A ASN 211.A N ASP 207.A O no hydrogen 2.673 N/A GLY 213.A N GLN 210.A O no hydrogen 2.731 N/A TYR 214.A N TYR 209.A O no hydrogen 2.988 N/A LEU 220.A N THR 238.A O no hydrogen 3.105 N/A ASP 223.A N LYS 236.A O no hydrogen 2.799 N/A THR 226.A OG1 ARG 232.A O no hydrogen 3.475 N/A GLU 228.A N ASN 227.A OD1 no hydrogen 2.406 N/A LYS 230.A N ASN 227.A O no hydrogen 2.687 N/A ARG 232.A N THR 231.A OG1 no hydrogen 2.610 N/A ILE 235.A N ASP 158.A O no hydrogen 3.084 N/A LYS 236.A N ASP 223.A O no hydrogen 2.713 N/A ILE 237.A N GLU 160.A O no hydrogen 2.855 N/A THR 238.A N ASP 221.A O no hydrogen 3.009 N/A VAL 239.A N GLU 162.A O no hydrogen 3.311 N/A HIS 240.A N ARG 218.A O no hydrogen 3.154 N/A VAL 250.A N PHE 317.A O no hydrogen 3.112 N/A GLU 263.A N PRO 260.A O no hydrogen 3.383 N/A GLU 265.A N ALA 262.A O no hydrogen 2.971 N/A LEU 267.A N GLU 263.A O no hydrogen 2.795 N/A THR 269.A N LYS 266.A O no hydrogen 3.221 N/A GLY 273.A N LYS 271.A O no hydrogen 2.267 N/A ARG 278.A NH1 GLN 210.A OE1 no hydrogen 3.112 N/A GLN 279.A N ASN 211.A OD1 no hydrogen 2.774 N/A GLN 279.A NE2 GLU 277.A OE1 no hydrogen 2.683 N/A MET 281.A N GLU 277.A O no hydrogen 3.341 N/A THR 282.A N ARG 278.A O no hydrogen 2.930 N/A ALA 283.A N GLN 279.A O no hydrogen 2.937 N/A VAL 284.A N GLN 280.A O no hydrogen 2.892 N/A LEU 285.A N MET 281.A O no hydrogen 2.916 N/A GLY 286.A N THR 282.A O no hydrogen 2.928 N/A GLU 287.A N ALA 283.A O no hydrogen 2.926 N/A ILE 288.A N VAL 284.A O no hydrogen 2.891 N/A GLN 289.A N LEU 285.A O no hydrogen 2.892 N/A ASN 290.A N GLY 286.A O no hydrogen 2.929 N/A ASN 290.A ND2 GLY 286.A O no hydrogen 2.997 N/A ARG 291.A N GLU 287.A O no hydrogen 2.897 N/A MET 292.A N ILE 288.A O no hydrogen 2.605 N/A SER 294.A OG THR 359.A OG1 no hydrogen 2.876 N/A GLY 296.A N TYR 357.A O no hydrogen 2.626 N/A SER 300.A OG GLN 289.A OE1 no hydrogen 2.807 N/A SER 300.A OG SER 300.A O no hydrogen 2.314 N/A SER 303.A N HIS 320.A O no hydrogen 3.027 N/A GLN 305.A N VAL 318.A O no hydrogen 2.932 N/A LEU 307.A N ASP 316.A O no hydrogen 2.396 N/A THR 312.A N ASN 309.A O no hydrogen 2.995 N/A ASP 316.A N LEU 307.A O no hydrogen 2.601 N/A VAL 318.A N GLN 305.A O no hydrogen 2.985 N/A HIS 320.A N SER 303.A O no hydrogen 2.828 N/A GLU 322.A N GLU 301.A O no hydrogen 3.238 N/A TYR 328.A N ASP 390.A O no hydrogen 3.116 N/A VAL 329.A N ALA 355.A O no hydrogen 2.881 N/A HIS 333.A N LEU 394.A O no hydrogen 2.649 N/A THR 335.A N MET 396.A O no hydrogen 3.259 N/A THR 335.A OG1 MET 396.A O no hydrogen 3.001 N/A THR 340.A N ASN 337.A O no hydrogen 2.981 N/A ARG 347.A N VAL 344.A O no hydrogen 3.110 N/A ARG 350.A N SER 365.A OG no hydrogen 2.624 N/A GLN 351.A NE2 ASP 358.A O no hydrogen 3.284 N/A SER 354.A N ASN 330.A O no hydrogen 3.294 N/A TYR 357.A N ILE 327.A O no hydrogen 2.666 N/A THR 359.A N GLY 293.A O no hydrogen 2.877 N/A THR 359.A OG1 ASN 290.A O no hydrogen 2.771 N/A THR 359.A OG1 SER 294.A OG no hydrogen 2.876 N/A SER 360.A N SER 294.A OG no hydrogen 2.973 N/A SER 360.A OG GLN 363.A OE1 no hydrogen 3.486 N/A LYS 361.A NZ ASP 358.A OD2 no hydrogen 2.319 N/A LEU 362.A N THR 359.A O no hydrogen 2.590 N/A GLN 363.A N THR 359.A O no hydrogen 2.974 N/A ARG 364.A N SER 360.A O no hydrogen 3.246 N/A SER 365.A N LEU 362.A O no hydrogen 2.453 N/A SER 365.A OG LYS 361.A O no hydrogen 3.270 N/A LYS 366.A N LEU 362.A O no hydrogen 3.045 N/A ARG 368.A N ARG 364.A O no hydrogen 3.360 N/A ARG 368.A NH2 SER 563.A OG no hydrogen 3.335 N/A VAL 369.A N SER 365.A O no hydrogen 3.095 N/A LEU 371.A N ARG 368.A O no hydrogen 2.752 N/A GLY 373.A N GLU 370.A O no hydrogen 3.253 N/A ASP 376.A N THR 399.A O no hydrogen 2.795 N/A GLN 379.A N SER 397.A O no hydrogen 3.166 N/A VAL 383.A N ASP 393.A O no hydrogen 3.373 N/A LEU 385.A N VAL 383.A O no hydrogen 2.329 N/A VAL 392.A N TYR 328.A O no hydrogen 3.069 N/A ASP 393.A N VAL 383.A O no hydrogen 2.985 N/A ASN 395.A N ASP 381.A O no hydrogen 3.252 N/A MET 396.A N HIS 333.A O no hydrogen 3.434 N/A SER 397.A N GLN 379.A O no hydrogen 3.253 N/A ARG 401.A N ASP 376.A OD1 no hydrogen 2.986 N/A SER 402.A N GLU 400.A O no hydrogen 2.545 N/A THR 403.A OG1 GLN 426.A OE1 no hydrogen 3.469 N/A THR 403.A OG1 ASP 427.A O no hydrogen 2.727 N/A SER 405.A N SER 425.A O no hydrogen 2.901 N/A SER 405.A OG ASP 407.A OD1 no hydrogen 3.212 N/A ASP 407.A N GLY 423.A O no hydrogen 3.000 N/A SER 409.A N SER 421.A O no hydrogen 3.228 N/A GLY 411.A N VAL 419.A O no hydrogen 3.262 N/A TRP 412.A N LEU 767.A O no hydrogen 3.095 N/A VAL 413.A N GLY 417.A O no hydrogen 3.117 N/A GLN 414.A NE2 PHE 763.A O no hydrogen 3.047 N/A ASP 415.A N ASP 415.A OD1 no hydrogen 2.132 N/A GLY 417.A N VAL 413.A O no hydrogen 3.197 N/A VAL 419.A N GLY 411.A O no hydrogen 2.905 N/A SER 421.A N SER 409.A O no hydrogen 2.490 N/A ALA 422.A N ALA 440.A O no hydrogen 3.072 N/A GLY 423.A N ASP 407.A O no hydrogen 3.233 N/A VAL 424.A N LEU 438.A O no hydrogen 3.212 N/A SER 425.A N SER 405.A O no hydrogen 3.198 N/A SER 425.A OG ALA 436.A O no hydrogen 3.261 N/A GLN 426.A N ALA 436.A O no hydrogen 3.067 N/A GLN 426.A NE2 THR 403.A O no hydrogen 3.442 N/A ASP 427.A N THR 403.A OG1 no hydrogen 3.159 N/A LEU 429.A N LYS 434.A O no hydrogen 3.272 N/A THR 432.A OG1 LEU 429.A O no hydrogen 2.483 N/A GLY 433.A N ASN 428.A OD1 no hydrogen 2.624 N/A LYS 434.A NZ ASP 455.A OD2 no hydrogen 3.148 N/A SER 435.A N THR 454.A O no hydrogen 2.607 N/A SER 435.A OG THR 454.A OG1 no hydrogen 3.395 N/A ALA 436.A N GLN 426.A O no hydrogen 3.236 N/A ALA 437.A N SER 452.A O no hydrogen 2.797 N/A LEU 438.A N VAL 424.A O no hydrogen 3.014 N/A ARG 439.A N SER 450.A O no hydrogen 3.022 N/A ALA 440.A N ALA 422.A O no hydrogen 2.921 N/A SER 441.A N ASN 448.A O no hydrogen 2.619 N/A ARG 442.A N.A MET 420.A O no hydrogen 3.126 N/A ARG 442.A N.B MET 420.A O no hydrogen 3.135 N/A SER 443.A N THR 446.A O no hydrogen 2.956 N/A SER 443.A OG THR 446.A O no hydrogen 3.453 N/A SER 443.A OG THR 446.A OG1 no hydrogen 3.101 N/A THR 445.A N SER 443.A OG no hydrogen 3.071 N/A THR 446.A N SER 443.A OG no hydrogen 2.731 N/A THR 446.A OG1 SER 443.A OG no hydrogen 3.101 N/A LEU 447.A N ALA 473.A O no hydrogen 2.819 N/A ASN 448.A N SER 441.A O no hydrogen 2.925 N/A GLY 449.A N GLY 471.A O no hydrogen 3.129 N/A SER 450.A N ARG 439.A O no hydrogen 2.793 N/A LEU 451.A N ILE 469.A O no hydrogen 2.858 N/A SER 452.A N ALA 437.A O no hydrogen 3.018 N/A SER 452.A OG ALA 437.A O no hydrogen 3.253 N/A PHE 453.A N TYR 467.A O no hydrogen 2.714 N/A THR 454.A N SER 435.A O no hydrogen 2.755 N/A THR 454.A OG1 SER 435.A OG no hydrogen 3.395 N/A ASP 455.A N LEU 465.A O no hydrogen 2.793 N/A SER 464.A N GLY 498.A O no hydrogen 3.059 N/A LEU 465.A N ASP 455.A O no hydrogen 3.073 N/A GLY 466.A N ARG 496.A O no hydrogen 2.694 N/A TYR 467.A N PHE 453.A O no hydrogen 2.847 N/A ASP 468.A N GLY 494.A O no hydrogen 3.080 N/A ILE 469.A N LEU 451.A O no hydrogen 2.771 N/A TYR 470.A N GLY 492.A O no hydrogen 2.696 N/A TYR 470.A OH GLU 514.A OE2 no hydrogen 2.538 N/A GLY 471.A N GLY 449.A O no hydrogen 3.018 N/A LYS 472.A N THR 490.A O no hydrogen 2.802 N/A ALA 473.A N LEU 447.A O no hydrogen 2.773 N/A PHE 474.A N THR 488.A O no hydrogen 2.949 N/A ASP 475.A N THR 445.A O no hydrogen 3.081 N/A LYS 478.A NZ ASP 475.A OD2 no hydrogen 2.154 N/A THR 481.A OG1 GLU 643.A OE1 no hydrogen 3.325 N/A THR 481.A OG1 GLU 643.A OE2 no hydrogen 3.222 N/A SER 482.A OG THR 481.A O no hydrogen 3.540 N/A SER 482.A OG VAL 483.A O no hydrogen 2.659 N/A LYS 487.A N ASN 519.A O no hydrogen 3.137 N/A LYS 487.A NZ TYR 521.A OH no hydrogen 3.273 N/A THR 488.A N PHE 474.A O no hydrogen 3.088 N/A THR 489.A N THR 517.A O no hydrogen 2.771 N/A THR 489.A OG1 THR 488.A O no hydrogen 3.024 N/A THR 490.A N LYS 472.A O no hydrogen 2.686 N/A ALA 491.A N HIS 515.A O no hydrogen 3.298 N/A GLY 492.A N TYR 470.A O no hydrogen 3.018 N/A GLY 493.A N ALA 513.A O no hydrogen 3.056 N/A GLY 494.A N ASP 468.A O no hydrogen 2.907 N/A VAL 495.A N LEU 511.A O no hydrogen 3.026 N/A ARG 496.A N GLY 466.A O no hydrogen 2.879 N/A MET 497.A N PHE 509.A O no hydrogen 3.337 N/A ILE 499.A N VAL 507.A O no hydrogen 2.753 N/A THR 502.A OG1 ASP 505.A OD1 no hydrogen 3.222 N/A GLU 503.A N GLU 503.A OE1 no hydrogen 2.419 N/A TYR 504.A N THR 502.A OG1 no hydrogen 2.819 N/A ASP 505.A N THR 502.A OG1 no hydrogen 2.762 N/A ARG 506.A N GLY 557.A O no hydrogen 3.116 N/A VAL 507.A N ILE 499.A O no hydrogen 2.983 N/A ASN 508.A N GLY 555.A O no hydrogen 3.378 N/A PHE 509.A N MET 497.A O no hydrogen 3.018 N/A LEU 511.A N VAL 495.A O no hydrogen 3.103 N/A ALA 512.A N LYS 551.A O no hydrogen 2.978 N/A ALA 513.A N GLY 493.A O no hydrogen 3.025 N/A GLU 514.A N LEU 549.A O no hydrogen 2.845 N/A HIS 515.A N ALA 491.A O no hydrogen 2.659 N/A LEU 516.A N GLY 547.A O no hydrogen 2.894 N/A THR 517.A N THR 489.A O no hydrogen 2.807 N/A VAL 518.A N PHE 545.A O no hydrogen 3.123 N/A ASN 519.A N LYS 487.A O no hydrogen 2.689 N/A ASN 519.A ND2 TYR 521.A OH no hydrogen 3.496 N/A THR 520.A N GLY 543.A O no hydrogen 2.740 N/A ARG 527.A N TYR 661.A OH no hydrogen 3.227 N/A TYR 528.A N PRO 525.A O no hydrogen 3.337 N/A PHE 531.A N TYR 528.A O no hydrogen 3.267 N/A ILE 532.A N TYR 528.A O no hydrogen 3.223 N/A LYS 534.A NZ ASP 530.A O no hydrogen 3.285 N/A TYR 535.A N PHE 531.A O no hydrogen 2.670 N/A GLY 536.A N ILE 532.A O no hydrogen 2.728 N/A LYS 537.A N SER 544.A O no hydrogen 3.163 N/A SER 544.A N LYS 537.A O no hydrogen 3.481 N/A PHE 545.A N VAL 518.A O no hydrogen 2.959 N/A GLY 547.A N LEU 516.A O no hydrogen 3.298 N/A LEU 549.A N GLU 514.A O no hydrogen 2.888 N/A TYR 550.A N SER 584.A OG no hydrogen 2.956 N/A LYS 551.A N ALA 512.A O no hydrogen 2.922 N/A LYS 551.A NZ GLU 514.A OE1 no hydrogen 2.812 N/A LYS 551.A NZ TYR 588.A OH no hydrogen 3.521 N/A GLY 552.A N ILE 579.A O no hydrogen 2.772 N/A THR 553.A N GLY 510.A O no hydrogen 3.042 N/A VAL 554.A N ALA 577.A O no hydrogen 2.707 N/A GLY 555.A N ASN 508.A O no hydrogen 3.073 N/A ARG 558.A N THR 573.A O no hydrogen 3.435 N/A ARG 558.A NE ASP 505.A OD2 no hydrogen 3.425 N/A ARG 558.A NH1 TYR 571.A OH no hydrogen 2.828 N/A LYS 560.A N TYR 571.A O no hydrogen 3.020 N/A LYS 560.A NZ TYR 571.A OH no hydrogen 3.453 N/A THR 561.A OG1 ASN 559.A OD1 no hydrogen 2.869 N/A SER 563.A OG GLU 348.A OE1 no hydrogen 2.778 N/A SER 563.A OG SER 565.A O no hydrogen 2.961 N/A ALA 564.A N GLU 348.A OE1 no hydrogen 2.945 N/A TRP 566.A NE1 ARG 684.A O no hydrogen 2.541 N/A THR 568.A N ASP 562.A OD1 no hydrogen 2.864 N/A TYR 571.A N LYS 560.A O no hydrogen 2.368 N/A LEU 572.A N THR 596.A O no hydrogen 2.869 N/A THR 573.A OG1 LEU 572.A O no hydrogen 2.952 N/A GLY 574.A N ASN 594.A O no hydrogen 3.356 N/A VAL 575.A N TRP 556.A O no hydrogen 3.391 N/A ASN 576.A N THR 592.A O no hydrogen 3.282 N/A ASN 576.A ND2 VAL 554.A O no hydrogen 3.581 N/A ALA 577.A N VAL 554.A O no hydrogen 2.946 N/A GLU 578.A N SER 590.A O no hydrogen 3.046 N/A ILE 579.A N GLY 552.A O no hydrogen 3.031 N/A ALA 580.A N TYR 588.A O no hydrogen 2.928 N/A LEU 581.A N TYR 550.A O no hydrogen 2.689 N/A SER 584.A N LEU 581.A O no hydrogen 3.108 N/A SER 584.A OG TYR 550.A O no hydrogen 3.234 N/A SER 584.A OG LEU 581.A O no hydrogen 2.573 N/A LYS 585.A N LEU 548.A O no hydrogen 3.267 N/A LYS 585.A NZ LYS 546.A O no hydrogen 3.207 N/A SER 590.A N GLU 578.A O no hydrogen 2.905 N/A ALA 591.A N ILE 615.A O no hydrogen 2.783 N/A THR 592.A OG1 ALA 591.A O no hydrogen 3.099 N/A HIS 593.A N VAL 613.A O no hydrogen 3.006 N/A ASN 594.A N GLY 574.A O no hydrogen 2.955 N/A GLN 595.A N GLY 611.A O no hydrogen 3.360 N/A GLN 595.A NE2 HIS 593.A NE2 no hydrogen 3.088 N/A TRP 597.A N LEU 609.A O no hydrogen 2.517 N/A TRP 597.A NE1 GLN 595.A OE1 no hydrogen 2.760 N/A PHE 598.A N GLY 570.A O no hydrogen 3.303 N/A PHE 599.A N LEU 607.A O no hydrogen 2.690 N/A SER 602.A N PHE 605.A O no hydrogen 3.160 N/A SER 602.A OG THR 604.A OG1 no hydrogen 2.915 N/A THR 604.A N SER 602.A OG no hydrogen 2.879 N/A THR 604.A OG1 SER 602.A OG no hydrogen 2.915 N/A THR 606.A N LEU 674.A O no hydrogen 2.979 N/A LEU 607.A N PHE 599.A O no hydrogen 2.553 N/A MET 608.A N GLU 672.A O no hydrogen 2.951 N/A LEU 609.A N TRP 597.A O no hydrogen 2.638 N/A GLY 610.A N SER 670.A O no hydrogen 3.466 N/A GLY 611.A N GLN 595.A O no hydrogen 3.077 N/A VAL 613.A N HIS 593.A O no hydrogen 3.107 N/A GLY 614.A N LYS 666.A O no hydrogen 2.987 N/A ILE 615.A N ALA 591.A O no hydrogen 3.515 N/A ALA 616.A N ASN 664.A O no hydrogen 2.868 N/A TYR 619.A N GLN 587.A O no hydrogen 3.169 N/A TYR 619.A OH ALA 580.A O no hydrogen 2.697 N/A THR 622.A N TYR 619.A O no hydrogen 3.194 N/A THR 622.A OG1 LEU 586.A O no hydrogen 2.781 N/A LYS 623.A NZ GLY 618.A O no hydrogen 2.868 N/A PHE 627.A N GLU 629.A O no hydrogen 3.392 N/A ASN 630.A ND2 TYR 661.A O no hydrogen 2.700 N/A PHE 631.A N GLY 663.A O no hydrogen 2.796 N/A TYR 632.A OH PHE 627.A O no hydrogen 3.073 N/A SER 638.A N GLY 635.A O no hydrogen 3.000 N/A SER 638.A OG GLY 634.A O no hydrogen 2.498 N/A VAL 639.A N SER 638.A OG no hydrogen 2.790 N/A ARG 640.A N ASP 693.A OD2 no hydrogen 2.947 N/A ARG 640.A NH1 ASP 693.A OD2 no hydrogen 3.093 N/A ARG 640.A NH2 GLU 672.A OE2 no hydrogen 2.361 N/A GLY 641.A N GLN 764.A OE1 no hydrogen 2.397 N/A TYR 642.A N VAL 639.A O no hydrogen 3.503 N/A TYR 642.A OH TYR 729.A O no hydrogen 3.359 N/A TYR 642.A OH LYS 753.A O no hydrogen 3.427 N/A GLU 643.A N GLU 759.A O no hydrogen 3.271 N/A GLY 645.A N GLY 633.A O no hydrogen 2.329 N/A LYS 650.A NZ THR 646.A O no hydrogen 3.227 N/A LYS 650.A NZ GLY 648.A O no hydrogen 2.918 N/A VAL 651.A N ILE 659.A O no hydrogen 3.262 N/A ASP 653.A N GLU 657.A O no hydrogen 2.603 N/A GLU 657.A N GLU 654.A O no hydrogen 3.266 N/A LYS 658.A NZ GLU 757.A O no hydrogen 3.490 N/A ILE 659.A N VAL 651.A O no hydrogen 3.145 N/A SER 660.A OG GLY 645.A O no hydrogen 3.537 N/A SER 660.A OG PRO 649.A O no hydrogen 3.098 N/A TYR 661.A N PRO 649.A O no hydrogen 3.080 N/A GLY 663.A N PHE 631.A O no hydrogen 2.993 N/A ASN 664.A ND2 ALA 616.A O no hydrogen 3.441 N/A LYS 665.A N TRP 698.A O no hydrogen 3.132 N/A LYS 666.A N GLY 614.A O no hydrogen 2.723 N/A LYS 666.A NZ ALA 667.A O no hydrogen 3.319 N/A LYS 666.A NZ ASN 668.A OD1 no hydrogen 2.420 N/A LYS 666.A NZ SER 696.A O no hydrogen 3.477 N/A ALA 667.A N SER 696.A O no hydrogen 2.848 N/A ASN 668.A N GLU 612.A O no hydrogen 2.868 N/A ASN 668.A ND2 SER 638.A O no hydrogen 2.873 N/A VAL 669.A N ALA 694.A O no hydrogen 3.109 N/A SER 670.A N GLY 610.A O no hydrogen 2.590 N/A ALA 671.A N ALA 692.A O no hydrogen 3.167 N/A GLU 672.A N MET 608.A O no hydrogen 2.663 N/A LEU 673.A N LEU 690.A O no hydrogen 3.069 N/A LEU 674.A N THR 606.A O no hydrogen 2.847 N/A PHE 675.A N LEU 688.A O no hydrogen 3.147 N/A GLY 679.A N MET 677.A O no hydrogen 2.403 N/A ARG 687.A N THR 736.A O no hydrogen 3.066 N/A ARG 687.A NH1 PRO 567.A O no hydrogen 2.916 N/A LEU 688.A N PHE 675.A O no hydrogen 2.896 N/A SER 689.A N ALA 734.A O no hydrogen 2.861 N/A SER 689.A OG ALA 734.A O no hydrogen 3.030 N/A LEU 690.A N LEU 673.A O no hydrogen 3.061 N/A PHE 691.A N GLY 732.A O no hydrogen 2.632 N/A ALA 692.A N ALA 671.A O no hydrogen 3.083 N/A ASP 693.A N SER 730.A O no hydrogen 2.957 N/A ALA 694.A N VAL 669.A O no hydrogen 3.128 N/A SER 696.A N ALA 667.A O no hydrogen 2.580 N/A SER 696.A OG HIS 720.A O no hydrogen 3.511 N/A SER 696.A OG GLU 726.A O no hydrogen 2.799 N/A TRP 698.A N LYS 665.A O no hydrogen 3.237 N/A TYR 703.A N SER 716.A O no hydrogen 2.758 N/A TYR 703.A OH ASP 699.A OD2 no hydrogen 2.745 N/A ALA 705.A N THR 704.A OG1 no hydrogen 2.494 N/A ASN 725.A ND2 GLU 717.A O no hydrogen 3.570 N/A ARG 728.A N GLY 695.A O no hydrogen 3.152 N/A ARG 728.A NE ASP 758.A OD2 no hydrogen 2.467 N/A ARG 728.A NH2 LEU 727.A O no hydrogen 2.893 N/A SER 730.A N ASP 693.A O no hydrogen 2.993 N/A SER 730.A OG ARG 640.A O no hydrogen 2.771 N/A SER 730.A OG ASP 693.A OD1 no hydrogen 3.291 N/A ALA 731.A N TYR 750.A O no hydrogen 3.032 N/A GLY 732.A N PHE 691.A O no hydrogen 3.044 N/A GLY 733.A N TYR 748.A O no hydrogen 2.998 N/A ALA 734.A N SER 689.A O no hydrogen 3.370 N/A THR 736.A N ARG 687.A O no hydrogen 2.964 N/A TRP 737.A N MET 744.A O no hydrogen 2.943 N/A LEU 738.A N THR 685.A O no hydrogen 3.405 N/A SER 739.A N GLY 742.A O no hydrogen 3.061 N/A MET 744.A N TRP 737.A O no hydrogen 2.528 N/A LYS 745.A N GLN 766.A O no hydrogen 3.306 N/A PHE 746.A N VAL 735.A O no hydrogen 2.779 N/A TYR 748.A N GLY 733.A O no hydrogen 2.982 N/A ALA 749.A N ARG 762.A O no hydrogen 3.328 N/A TYR 750.A N ALA 731.A O no hydrogen 2.428 N/A LEU 752.A N TYR 729.A O no hydrogen 3.032 N/A LYS 755.A N ASP 758.A OD2 no hydrogen 3.092 N/A GLN 764.A N SER 747.A O no hydrogen 3.302 N/A GLN 766.A N LYS 745.A O no hydrogen 3.377 N/A LEU 767.A N TRP 412.A O no hydrogen 2.986 N/A