Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6shb_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ ASN 161.A OD1 no hydrogen 2.546 N/A ILE 7.A N TYR 4.A O no hydrogen 3.344 N/A LEU 9.A N LYS 5.A O no hydrogen 2.236 N/A LEU 10.A N ILE 6.A O no hydrogen 2.544 N/A TRP 18.A N ASN 15.A O no hydrogen 2.989 N/A VAL 19.A N LYS 16.A O no hydrogen 2.874 N/A ILE 20.A N LYS 16.A O no hydrogen 3.057 N/A ARG 23.A NE ARG 69.A O no hydrogen 3.414 N/A ARG 23.A NH2 ARG 69.A O no hydrogen 3.535 N/A ASN 43.A N GLU 39.A O no hydrogen 3.337 N/A ASP 45.A N VAL 41.A O no hydrogen 2.912 N/A ASP 45.A N ASP 42.A O no hydrogen 3.170 N/A LYS 46.A N ASP 42.A O no hydrogen 2.920 N/A LYS 46.A NZ ASP 42.A OD2 no hydrogen 3.443 N/A LEU 47.A N ASN 43.A O no hydrogen 2.894 N/A SER 50.A OG TYR 726.A OH no hydrogen 2.893 N/A ARG 53.A N SER 50.A O no hydrogen 2.661 N/A TYR 54.A N SER 50.A O no hydrogen 2.384 N/A TYR 54.A OH LEU 665.A O no hydrogen 3.164 N/A TYR 60.A OH ASP 45.A OD1 no hydrogen 2.623 N/A TYR 60.A OH ASP 45.A OD2 no hydrogen 3.194 N/A LYS 61.A NZ ASP 42.A OD2 no hydrogen 2.346 N/A GLU 62.A N ILE 58.A O no hydrogen 2.911 N/A GLU 62.A N VAL 59.A O no hydrogen 3.023 N/A ARG 63.A N VAL 59.A O no hydrogen 2.739 N/A SER 64.A OG GLU 62.A O no hydrogen 3.348 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.532 N/A LYS 74.A N PRO 145.A O no hydrogen 2.537 N/A LYS 74.A NZ GLN 82.A OE1 no hydrogen 2.468 N/A LEU 77.A N ASN 75.A OD1 no hydrogen 3.093 N/A SER 79.A OG SER 79.A O no hydrogen 2.249 N/A SER 79.A OG TYR 664.A O no hydrogen 3.309 N/A ASN 80.A N LEU 78.A O no hydrogen 2.672 N/A ARG 83.A N LEU 73.A O no hydrogen 2.813 N/A ILE 85.A N ILE 71.A O no hydrogen 3.023 N/A LYS 95.A N ASP 92.A O no hydrogen 2.799 N/A LYS 95.A NZ LYS 95.A O no hydrogen 2.973 N/A LEU 96.A N LYS 93.A O no hydrogen 2.919 N/A ASN 98.A N LYS 95.A O no hydrogen 2.892 N/A LEU 101.A N ASP 97.A O no hydrogen 2.779 N/A GLU 102.A N ASN 98.A O no hydrogen 2.647 N/A TYR 103.A N LEU 99.A O no hydrogen 2.453 N/A LYS 104.A N ILE 100.A O no hydrogen 2.769 N/A LYS 104.A NZ ASN 30.A OD1 no hydrogen 2.426 N/A LYS 118.A NZ ILE 110.A O no hydrogen 2.917 N/A TYR 119.A N LEU 115.A O no hydrogen 2.945 N/A TYR 119.A OH PRO 219.A O no hydrogen 3.185 N/A GLN 120.A N LEU 117.A O no hydrogen 2.930 N/A LEU 121.A N LEU 117.A O no hydrogen 2.881 N/A TYR 126.A N PHE 122.A O no hydrogen 2.405 N/A LEU 128.A N ILE 125.A O no hydrogen 3.051 N/A VAL 129.A N ILE 125.A O no hydrogen 3.094 N/A TRP 130.A NE1 TYR 103.A OH no hydrogen 2.747 N/A ILE 131.A N GLU 127.A O no hydrogen 3.449 N/A ASP 132.A N LEU 128.A O no hydrogen 3.203 N/A SER 133.A N VAL 129.A O no hydrogen 3.231 N/A SER 133.A OG TRP 130.A O no hydrogen 2.344 N/A LYS 134.A N ILE 131.A O no hydrogen 2.939 N/A TYR 135.A OH TYR 821.A OH no hydrogen 2.887 N/A ASN 137.A ND2 TYR 820.A O no hydrogen 2.479 N/A THR 138.A OG1 PRO 14.A O no hydrogen 3.559 N/A THR 138.A OG1 PRO 139.A O no hydrogen 3.226 N/A SER 140.A N HIS 147.A O no hydrogen 2.759 N/A SER 140.A OG THR 148.A O no hydrogen 2.890 N/A ARG 143.A NH1 VAL 59.A O no hydrogen 2.451 N/A ARG 143.A NH1 ASP 141.A OD1 no hydrogen 3.519 N/A ASN 144.A N ASP 141.A O no hydrogen 3.005 N/A THR 146.A N ASN 144.A O no hydrogen 2.701 N/A THR 146.A OG1 HIS 147.A ND1 no hydrogen 2.723 N/A THR 148.A OG1 ASN 137.A OD1 no hydrogen 2.171 N/A THR 148.A OG1 THR 138.A O no hydrogen 3.013 N/A ILE 149.A N THR 138.A O no hydrogen 3.058 N/A HIS 152.A N THR 148.A O no hydrogen 3.364 N/A LEU 153.A N ILE 149.A O no hydrogen 2.920 N/A TYR 154.A N PHE 150.A O no hydrogen 2.970 N/A TYR 154.A N ASP 151.A O no hydrogen 3.266 N/A ALA 155.A N ASP 151.A O no hydrogen 2.849 N/A THR 156.A N HIS 152.A O no hydrogen 2.905 N/A THR 156.A OG1 ALA 44.A O no hydrogen 2.485 N/A ALA 158.A N TYR 154.A O no hydrogen 2.926 N/A MET 160.A N THR 156.A O no hydrogen 2.964 N/A ASN 161.A N ALA 158.A O no hydrogen 3.236 N/A ILE 163.A N MET 159.A O no hydrogen 2.937 N/A LEU 164.A N MET 160.A O no hydrogen 2.904 N/A SER 165.A N ASN 161.A O no hydrogen 2.892 N/A LEU 166.A N TRP 162.A O no hydrogen 2.928 N/A GLU 167.A N ILE 163.A O no hydrogen 2.826 N/A LYS 171.A NZ TYR 173.A OH no hydrogen 3.360 N/A LYS 171.A NZ GLN 302.A O no hydrogen 2.541 N/A TYR 173.A N LEU 288.A O no hydrogen 2.423 N/A TYR 173.A OH ASP 303.A O no hydrogen 2.939 N/A LEU 174.A N VAL 365.A O no hydrogen 2.836 N/A LEU 175.A N LEU 286.A O no hydrogen 2.673 N/A GLY 176.A N LYS 363.A O no hydrogen 2.854 N/A ILE 177.A N ILE 284.A O no hydrogen 2.652 N/A THR 179.A N GLY 282.A O no hydrogen 2.638 N/A THR 179.A OG1 ASN 359.A O no hydrogen 3.123 N/A ILE 180.A N ASN 359.A O no hydrogen 2.944 N/A PHE 185.A N GLY 181.A O no hydrogen 3.430 N/A ILE 186.A N VAL 182.A O no hydrogen 2.899 N/A SER 187.A N ASP 184.A O no hydrogen 3.005 N/A SER 187.A OG ASP 184.A O no hydrogen 2.265 N/A LYS 188.A N PHE 185.A O no hydrogen 3.125 N/A LYS 188.A NZ ASP 184.A O no hydrogen 2.783 N/A ARG 190.A N ASP 194.A OD2 no hydrogen 2.925 N/A THR 192.A OG1 LYS 191.A O no hydrogen 2.223 N/A THR 192.A OG1 PRO 528.A O no hydrogen 2.721 N/A TRP 196.A N THR 192.A O no hydrogen 2.938 N/A ILE 197.A N ARG 193.A O no hydrogen 2.941 N/A SER 198.A N ASP 194.A O no hydrogen 2.854 N/A SER 198.A OG ASP 194.A O no hydrogen 2.471 N/A SER 198.A OG LEU 195.A O no hydrogen 2.673 N/A SER 199.A N LEU 195.A O no hydrogen 3.010 N/A SER 199.A OG ILE 769.A O no hydrogen 3.307 N/A TYR 200.A N TRP 196.A O no hydrogen 2.846 N/A LEU 201.A N ILE 197.A O no hydrogen 2.767 N/A VAL 202.A N SER 198.A O no hydrogen 2.975 N/A SER 203.A N SER 199.A O no hydrogen 2.963 N/A SER 203.A OG SER 199.A O no hydrogen 2.642 N/A ALA 204.A N TYR 200.A O no hydrogen 2.802 N/A LEU 205.A N LEU 201.A O no hydrogen 2.848 N/A LEU 206.A N VAL 202.A O no hydrogen 3.025 N/A TRP 207.A N SER 203.A O no hydrogen 2.857 N/A TYR 208.A N ALA 204.A O no hydrogen 2.859 N/A THR 211.A OG1 TYR 208.A O no hydrogen 2.420 N/A ILE 214.A N ILE 210.A O no hydrogen 2.916 N/A GLU 215.A N THR 211.A O no hydrogen 2.922 N/A GLU 215.A N TRP 212.A O no hydrogen 3.216 N/A GLU 216.A N TRP 212.A O no hydrogen 2.917 N/A TYR 217.A N PHE 213.A O no hydrogen 2.893 N/A TYR 217.A OH LEU 291.A O no hydrogen 2.018 N/A LEU 223.A N THR 285.A O no hydrogen 3.515 N/A ALA 234.A N ASN 230.A O no hydrogen 2.975 N/A TYR 236.A N PHE 232.A O no hydrogen 2.866 N/A LEU 237.A N TYR 233.A O no hydrogen 2.891 N/A LEU 238.A N ALA 234.A O no hydrogen 2.877 N/A GLU 239.A N PHE 235.A O no hydrogen 2.862 N/A LYS 240.A N TYR 236.A O no hydrogen 2.879 N/A LYS 240.A NZ ILE 116.A O no hydrogen 3.569 N/A LEU 241.A N LEU 237.A O no hydrogen 2.971 N/A ARG 242.A N LEU 238.A O no hydrogen 2.858 N/A ARG 242.A NH1 ARG 242.A O no hydrogen 2.948 N/A LYS 243.A N GLU 239.A O no hydrogen 2.864 N/A GLU 244.A N LYS 240.A O no hydrogen 2.883 N/A GLY 245.A N LEU 241.A O no hydrogen 2.940 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.783 N/A ASP 249.A N SER 247.A OG no hydrogen 3.144 N/A VAL 250.A N SER 247.A O no hydrogen 2.472 N/A ILE 251.A N SER 247.A O no hydrogen 2.945 N/A ILE 254.A N ILE 251.A O no hydrogen 2.654 N/A LYS 255.A N ILE 251.A O no hydrogen 2.955 N/A ILE 258.A N ILE 254.A O no hydrogen 2.912 N/A ILE 258.A N LYS 255.A O no hydrogen 3.129 N/A THR 259.A N LYS 255.A O no hydrogen 2.942 N/A THR 259.A OG1 PHE 263.A O no hydrogen 3.244 N/A LYS 260.A N GLU 256.A O no hydrogen 2.939 N/A TYR 261.A N ILE 258.A O no hydrogen 2.656 N/A TYR 261.A OH ASP 132.A OD1 no hydrogen 2.350 N/A ILE 262.A N ILE 258.A O no hydrogen 2.738 N/A ASN 264.A ND2 THR 259.A O no hydrogen 3.211 N/A ASN 264.A ND2 LYS 260.A O no hydrogen 2.590 N/A ASN 271.A N LEU 268.A O no hydrogen 2.856 N/A LEU 272.A N LEU 268.A O no hydrogen 3.190 N/A LYS 273.A NZ GLU 270.A O no hydrogen 2.772 N/A ILE 284.A N ILE 177.A O no hydrogen 2.731 N/A THR 285.A OG1 LEU 175.A O no hydrogen 3.118 N/A LEU 286.A N LEU 175.A O no hydrogen 2.517 N/A ILE 287.A N VAL 221.A O no hydrogen 3.130 N/A LEU 288.A N TYR 173.A O no hydrogen 2.393 N/A GLY 290.A N SER 165.A OG no hydrogen 2.818 N/A LYS 299.A N ILE 292.A O no hydrogen 3.066 N/A LYS 299.A NZ GLU 297.A OE2 no hydrogen 3.169 N/A CYS 306.A SG ASP 303.A O no hydrogen 3.281 N/A PHE 307.A N ASP 304.A O no hydrogen 3.366 N/A VAL 311.A N PHE 307.A O no hydrogen 2.920 N/A GLU 313.A N SER 309.A O no hydrogen 2.962 N/A TYR 315.A N VAL 311.A O no hydrogen 2.916 N/A ASN 316.A N LYS 312.A O no hydrogen 2.978 N/A GLU 317.A N GLU 313.A O no hydrogen 2.846 N/A GLY 318.A N ARG 314.A O no hydrogen 2.979 N/A TRP 319.A NE1 LEU 353.A O no hydrogen 2.960 N/A ARG 320.A N ASN 316.A O no hydrogen 2.954 N/A LYS 321.A N GLU 317.A O no hydrogen 2.878 N/A LYS 321.A NZ ASP 507.A OD2 no hydrogen 3.233 N/A LEU 322.A N GLY 318.A O no hydrogen 2.981 N/A ILE 323.A N TRP 319.A O no hydrogen 2.905 N/A GLU 324.A N ARG 320.A O no hydrogen 2.966 N/A GLY 325.A N LYS 321.A O no hydrogen 2.901 N/A LEU 326.A N LEU 322.A O no hydrogen 2.899 N/A ARG 327.A N ILE 323.A O no hydrogen 2.922 N/A CYS 328.A N GLU 324.A O no hydrogen 2.931 N/A CYS 328.A SG GLU 324.A O no hydrogen 2.962 N/A TYR 329.A N GLY 325.A O no hydrogen 2.892 N/A SER 330.A N LEU 326.A O no hydrogen 2.894 N/A GLU 331.A N ARG 327.A O no hydrogen 2.942 N/A ARG 332.A N CYS 328.A O no hydrogen 2.919 N/A ARG 332.A NH2 ASN 516.A OD1 no hydrogen 3.532 N/A LYS 333.A N SER 330.A O no hydrogen 3.314 N/A ARG 334.A N GLU 331.A O no hydrogen 3.373 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.748 N/A ASP 336.A N LYS 333.A O no hydrogen 2.958 N/A LEU 341.A N ASN 340.A OD1 no hydrogen 2.731 N/A CYS 343.A N TRP 339.A O no hydrogen 2.899 N/A ARG 344.A N ASN 340.A O no hydrogen 2.848 N/A VAL 345.A N LEU 341.A O no hydrogen 2.890 N/A LEU 346.A N VAL 342.A O no hydrogen 2.908 N/A LYS 347.A N CYS 343.A O no hydrogen 2.944 N/A LEU 348.A N ARG 344.A O no hydrogen 2.874 N/A THR 349.A N VAL 345.A O no hydrogen 2.609 N/A GLN 354.A N ASP 351.A O no hydrogen 2.889 N/A GLN 354.A NE2 GLU 350.A O no hydrogen 3.140 N/A THR 355.A N LEU 352.A O no hydrogen 3.413 N/A ASN 359.A ND2 VAL 405.A O no hydrogen 3.308 N/A ARG 361.A N ASP 178.A O no hydrogen 3.051 N/A ARG 361.A NH2 VAL 403.A O no hydrogen 3.075 N/A LYS 363.A NZ GLU 396.A O no hydrogen 3.253 N/A LYS 363.A NZ SER 400.A OG no hydrogen 2.861 N/A VAL 365.A N LEU 174.A O no hydrogen 3.029 N/A GLU 369.A N THR 368.A OG1 no hydrogen 2.500 N/A ILE 372.A N GLU 369.A O no hydrogen 3.291 N/A PHE 373.A N GLU 369.A O no hydrogen 3.092 N/A ASN 376.A ND2 GLU 39.A OE1 no hydrogen 2.726 N/A ARG 379.A NH1 GLU 371.A OE2 no hydrogen 2.387 N/A SER 382.A OG ARG 379.A O no hydrogen 2.203 N/A LYS 384.A NZ ASP 381.A OD2 no hydrogen 3.279 N/A TYR 386.A OH HIS 743.A ND1 no hydrogen 2.739 N/A ASN 388.A N ASP 387.A OD2 no hydrogen 3.012 N/A LYS 389.A N ILE 385.A O no hydrogen 2.433 N/A TYR 390.A N TYR 386.A O no hydrogen 2.790 N/A ARG 391.A N ASP 387.A O no hydrogen 2.818 N/A GLN 392.A N ASN 388.A O no hydrogen 2.917 N/A LEU 393.A N LYS 389.A O no hydrogen 2.974 N/A VAL 394.A N TYR 390.A O no hydrogen 3.015 N/A SER 395.A N ARG 391.A O no hydrogen 2.696 N/A GLU 396.A N GLN 392.A O no hydrogen 2.972 N/A PHE 397.A N LEU 393.A O no hydrogen 2.981 N/A LYS 398.A N VAL 394.A O no hydrogen 2.940 N/A LYS 399.A N SER 395.A O no hydrogen 2.907 N/A SER 400.A N GLU 396.A O no hydrogen 2.978 N/A SER 400.A OG PHE 397.A O no hydrogen 3.020 N/A LYS 401.A N PHE 397.A O no hydrogen 2.874 N/A LEU 402.A N LYS 399.A O no hydrogen 3.237 N/A VAL 403.A N SER 400.A O no hydrogen 3.214 N/A THR 406.A OG1 GLU 408.A OE1 no hydrogen 2.951 N/A SER 409.A N THR 406.A O no hydrogen 3.060 N/A SER 409.A OG THR 406.A O no hydrogen 2.555 N/A ARG 410.A N PRO 407.A O no hydrogen 2.900 N/A LEU 411.A N GLU 408.A O no hydrogen 2.838 N/A THR 417.A N PHE 414.A O no hydrogen 3.425 N/A THR 417.A OG1 TYR 433.A OH no hydrogen 3.313 N/A LYS 418.A N PHE 414.A O no hydrogen 2.889 N/A PHE 419.A N GLU 415.A O no hydrogen 3.455 N/A LYS 421.A N PHE 419.A O no hydrogen 2.669 N/A GLN 424.A NE2 GLY 432.A O no hydrogen 3.171 N/A ILE 425.A N VAL 445.A O no hydrogen 2.792 N/A SER 429.A N GLN 424.A OE1 no hydrogen 2.679 N/A SER 429.A OG GLU 434.A OE2 no hydrogen 2.618 N/A GLY 432.A N SER 429.A O no hydrogen 3.001 N/A CYS 436.A N LEU 442.A O no hydrogen 3.047 N/A CYS 436.A SG LEU 442.A O no hydrogen 3.759 N/A THR 437.A N ARG 482.A O no hydrogen 2.998 N/A THR 437.A OG1 ARG 482.A O no hydrogen 3.437 N/A GLY 440.A N CYS 436.A O no hydrogen 2.747 N/A ALA 444.A N GLU 434.A O no hydrogen 2.993 N/A VAL 445.A N LEU 483.A O no hydrogen 2.707 N/A VAL 446.A N LEU 483.A O no hydrogen 3.202 N/A ILE 447.A N ILE 425.A O no hydrogen 3.197 N/A MET 448.A N GLU 481.A O no hydrogen 3.025 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.359 N/A LYS 457.A N GLU 453.A O no hydrogen 2.269 N/A ASP 460.A N LYS 456.A O no hydrogen 2.276 N/A LEU 461.A N LEU 458.A O no hydrogen 2.988 N/A ALA 464.A N LEU 458.A O no hydrogen 3.492 N/A ARG 465.A NE ASP 469.A OD2 no hydrogen 2.892 N/A LYS 468.A NZ ASP 336.A O no hydrogen 3.289 N/A LYS 468.A NZ ASP 469.A OD1 no hydrogen 2.335 N/A ARG 471.A N LYS 468.A O no hydrogen 3.296 N/A SER 472.A OG GLY 337.A O no hydrogen 2.933 N/A ILE 473.A N ASP 469.A O no hydrogen 2.919 N/A LYS 474.A N VAL 470.A O no hydrogen 2.823 N/A ASN 475.A N ARG 471.A O no hydrogen 2.910 N/A ILE 477.A N ILE 473.A O no hydrogen 3.179 N/A SER 478.A N GLU 481.A OE2 no hydrogen 3.382 N/A GLY 480.A N PRO 449.A O no hydrogen 3.406 N/A GLU 481.A N SER 478.A O no hydrogen 3.297 N/A ARG 482.A N THR 437.A OG1 no hydrogen 3.315 N/A ARG 482.A NE PHE 435.A O no hydrogen 2.638 N/A ARG 482.A NH1 PHE 435.A O no hydrogen 3.058 N/A LEU 483.A N VAL 446.A O no hydrogen 2.840 N/A CYS 487.A SG SER 438.A OG no hydrogen 2.631 N/A LEU 488.A N CYS 484.A O no hydrogen 2.783 N/A VAL 489.A N PRO 485.A O no hydrogen 2.932 N/A ARG 491.A N CYS 487.A O no hydrogen 2.872 N/A ARG 491.A NH1 GLU 481.A OE1 no hydrogen 2.828 N/A ARG 491.A NH1 GLU 481.A OE2 no hydrogen 3.359 N/A ALA 492.A N LEU 488.A O no hydrogen 2.898 N/A LEU 493.A N VAL 489.A O no hydrogen 2.854 N/A GLY 494.A N ARG 491.A O no hydrogen 3.221 N/A ALA 495.A N ARG 491.A O no hydrogen 2.990 N/A GLU 496.A N ALA 492.A O no hydrogen 3.340 N/A ARG 498.A NH2 ARG 521.A O no hydrogen 2.553 N/A LEU 499.A N GLU 496.A OE1 no hydrogen 3.188 N/A MET 500.A N PRO 497.A O no hydrogen 3.027 N/A ARG 501.A N ARG 498.A O no hydrogen 3.109 N/A ARG 501.A NH2 GLU 517.A OE1 no hydrogen 2.255 N/A ILE 502.A N LEU 499.A O no hydrogen 2.919 N/A LEU 503.A N MET 500.A O no hydrogen 2.914 N/A LEU 504.A N ARG 501.A O no hydrogen 2.922 N/A ILE 514.A N SER 510.A O no hydrogen 3.203 N/A VAL 515.A N VAL 511.A O no hydrogen 2.979 N/A ASN 516.A N GLU 512.A O no hydrogen 2.841 N/A ASN 516.A ND2 GLU 512.A O no hydrogen 2.320 N/A ASN 516.A ND2 GLU 512.A OE1 no hydrogen 2.365 N/A GLU 517.A N LYS 513.A O no hydrogen 2.872 N/A ILE 518.A N ILE 514.A O no hydrogen 3.015 N/A SER 520.A OG GLU 517.A O no hydrogen 2.501 N/A GLU 526.A N LEU 567.A O no hydrogen 3.456 N/A SER 529.A N ASP 532.A OD2 no hydrogen 2.351 N/A SER 529.A OG SER 531.A OG no hydrogen 3.054 N/A SER 529.A OG ASP 532.A OD2 no hydrogen 2.599 N/A THR 530.A OG1 TYR 838.A O no hydrogen 3.011 N/A SER 531.A OG SER 529.A OG no hydrogen 3.054 N/A ASP 532.A N SER 529.A O no hydrogen 2.839 N/A ILE 533.A N SER 529.A O no hydrogen 3.353 N/A ALA 534.A N THR 530.A O no hydrogen 3.025 N/A SER 535.A N ASP 532.A O no hydrogen 2.547 N/A SER 535.A OG SER 531.A O no hydrogen 3.153 N/A LYS 537.A NZ THR 610.A OG1 no hydrogen 2.147 N/A LYS 537.A NZ PHE 611.A O no hydrogen 3.541 N/A PHE 539.A N SER 535.A O no hydrogen 2.987 N/A PHE 539.A N ILE 536.A O no hydrogen 2.917 N/A GLU 540.A N ILE 536.A O no hydrogen 2.993 N/A GLU 541.A N LYS 537.A O no hydrogen 2.639 N/A MET 542.A N PHE 539.A O no hydrogen 2.883 N/A ILE 543.A N GLU 540.A O no hydrogen 2.902 N/A GLU 544.A N GLU 540.A O no hydrogen 3.054 N/A LYS 545.A NZ GLU 541.A OE2 no hydrogen 3.041 N/A LYS 546.A NZ ASN 579.A O no hydrogen 2.327 N/A GLU 548.A N GLU 548.A OE1 no hydrogen 2.220 N/A CYS 550.A N ASN 547.A O no hydrogen 2.886 N/A LYS 554.A N GLU 551.A O no hydrogen 3.349 N/A GLU 556.A N LEU 553.A O no hydrogen 3.310 N/A CYS 559.A SG LYS 546.A O no hydrogen 3.447 N/A SER 563.A OG LYS 561.A O no hydrogen 3.192 N/A VAL 566.A N TYR 577.A OH no hydrogen 3.084 N/A LEU 567.A N LYS 524.A O no hydrogen 3.310 N/A SER 568.A OG GLU 526.A O no hydrogen 2.338 N/A TRP 570.A N SER 568.A OG no hydrogen 3.319 N/A TRP 570.A NE1 GLY 766.A O no hydrogen 2.287 N/A PHE 573.A N TRP 570.A O no hydrogen 2.751 N/A ASN 574.A N TRP 570.A O no hydrogen 3.232 N/A ASN 574.A N GLN 571.A O no hydrogen 2.873 N/A ASN 579.A N ASN 576.A O no hydrogen 3.187 N/A ASN 582.A ND2 GLU 557.A O no hydrogen 2.256 N/A GLU 589.A N ASP 586.A O no hydrogen 2.613 N/A TYR 590.A N PRO 587.A O no hydrogen 3.388 N/A PHE 592.A N PRO 587.A O no hydrogen 2.901 N/A TYR 599.A OH ASP 552.A OD1 no hydrogen 2.232 N/A PHE 601.A N ARG 597.A O no hydrogen 2.875 N/A SER 602.A N ARG 598.A O no hydrogen 2.989 N/A VAL 603.A N TYR 599.A O no hydrogen 2.853 N/A VAL 603.A N TYR 600.A O no hydrogen 3.083 N/A PHE 604.A N TYR 600.A O no hydrogen 2.901 N/A ARG 606.A N VAL 603.A O no hydrogen 3.341 N/A ARG 608.A N ARG 605.A O no hydrogen 2.838 N/A ARG 608.A NH1 ARG 606.A O no hydrogen 2.864 N/A ILE 609.A N PHE 604.A O no hydrogen 2.803 N/A THR 610.A OG1 PHE 611.A O no hydrogen 3.453 N/A TYR 616.A N ALA 836.A O no hydrogen 3.107 N/A LEU 618.A N ILE 834.A O no hydrogen 2.869 N/A VAL 619.A N ALA 778.A O no hydrogen 3.285 N/A ARG 620.A N SER 832.A O no hydrogen 3.000 N/A ARG 620.A NH1 ILE 846.A O no hydrogen 3.261 N/A ARG 620.A NH1 SER 849.A OG no hydrogen 2.968 N/A ALA 621.A N LEU 776.A O no hydrogen 3.475 N/A ASP 622.A N SER 830.A O no hydrogen 2.929 N/A ASP 624.A N GLY 828.A O no hydrogen 3.165 N/A LEU 630.A N LEU 626.A O no hydrogen 3.033 N/A GLU 631.A N GLY 627.A O no hydrogen 2.822 N/A GLY 632.A N ASP 628.A O no hydrogen 2.565 N/A LYS 633.A N ASP 628.A O no hydrogen 2.531 N/A LYS 633.A NZ GLU 631.A OE2 no hydrogen 2.971 N/A LEU 634.A N TYR 647.A OH no hydrogen 2.914 N/A TYR 637.A OH LEU 77.A O no hydrogen 3.300 N/A LEU 638.A N LEU 634.A O no hydrogen 2.726 N/A LEU 638.A N THR 635.A O no hydrogen 3.171 N/A ILE 641.A N LEU 638.A O no hydrogen 3.042 N/A ILE 642.A N LEU 638.A O no hydrogen 3.433 N/A ASP 646.A N ASP 643.A O no hydrogen 3.126 N/A ASP 646.A N ASP 643.A OD2 no hydrogen 2.376 N/A TYR 647.A N SER 644.A O no hydrogen 2.863 N/A LYS 653.A N ILE 650.A O no hydrogen 3.120 N/A LYS 653.A NZ ASP 646.A OD2 no hydrogen 3.428 N/A LYS 654.A NZ ILE 650.A O no hydrogen 2.813 N/A GLU 655.A N GLU 655.A OE1 no hydrogen 2.570 N/A GLU 656.A N GLU 656.A OE1 no hydrogen 2.567 N/A VAL 657.A N LYS 653.A O no hydrogen 2.912 N/A LYS 659.A N GLU 655.A O no hydrogen 3.351 N/A LYS 659.A NZ TYR 866.A OH no hydrogen 2.691 N/A LEU 665.A N LEU 661.A O no hydrogen 2.400 N/A VAL 666.A N GLU 662.A O no hydrogen 2.409 N/A ALA 668.A N TYR 664.A O no hydrogen 2.554 N/A ALA 668.A N LEU 665.A O no hydrogen 3.062 N/A VAL 674.A N SER 670.A O no hydrogen 3.147 N/A TYR 676.A N SER 672.A O no hydrogen 3.125 N/A TYR 676.A OH GLU 701.A OE1 no hydrogen 2.920 N/A VAL 677.A N ILE 673.A O no hydrogen 3.046 N/A LYS 678.A N VAL 674.A O no hydrogen 2.466 N/A THR 679.A N ASP 675.A O no hydrogen 3.214 N/A THR 679.A OG1 ASP 675.A O no hydrogen 3.506 N/A LEU 681.A N VAL 677.A O no hydrogen 3.136 N/A CYS 683.A SG VAL 680.A O no hydrogen 2.962 N/A ILE 684.A N LYS 682.A O no hydrogen 2.446 N/A GLU 686.A N LYS 682.A O no hydrogen 3.287 N/A SER 692.A N LYS 690.A O no hydrogen 2.814 N/A CYS 693.A SG CYS 683.A O no hydrogen 3.279 N/A TYR 698.A OH ALA 714.A O no hydrogen 3.115 N/A GLU 701.A N TYR 698.A O no hydrogen 2.887 N/A LYS 704.A NZ ASN 700.A O no hydrogen 2.222 N/A PHE 707.A N VAL 705.A O no hydrogen 3.163 N/A ASN 722.A N GLU 718.A O no hydrogen 2.423 N/A SER 723.A OG TYR 54.A O no hydrogen 3.467 N/A LEU 724.A N LYS 721.A O no hydrogen 3.291 N/A GLU 725.A N LYS 721.A O no hydrogen 2.876 N/A TYR 726.A N ASN 722.A O no hydrogen 2.889 N/A TYR 726.A OH SER 50.A OG no hydrogen 2.893 N/A GLU 728.A N LEU 724.A O no hydrogen 2.834 N/A THR 729.A N GLU 725.A O no hydrogen 2.968 N/A THR 729.A OG1 TYR 726.A O no hydrogen 3.236 N/A ILE 730.A N PHE 727.A O no hydrogen 3.356 N/A LEU 731.A N PHE 727.A O no hydrogen 2.849 N/A ASN 732.A N GLU 728.A O no hydrogen 2.868 N/A ARG 735.A N GLU 733.A O no hydrogen 2.645 N/A ARG 735.A NE ILE 736.A O no hydrogen 2.745 N/A ARG 735.A NH1 ILE 736.A O no hydrogen 3.568 N/A ILE 736.A N GLY 632.A O no hydrogen 2.955 N/A TRP 742.A N THR 739.A OG1 no hydrogen 2.655 N/A TRP 742.A NE1 LEU 629.A O no hydrogen 3.224 N/A HIS 743.A N THR 739.A O no hydrogen 3.222 N/A HIS 743.A ND1 TYR 386.A OH no hydrogen 2.739 N/A HIS 743.A NE2 LEU 630.A O no hydrogen 3.181 N/A VAL 744.A N PRO 740.A O no hydrogen 2.910 N/A SER 745.A N ALA 741.A O no hydrogen 2.880 N/A SER 745.A OG ALA 741.A O no hydrogen 2.270 N/A SER 745.A OG TRP 742.A O no hydrogen 2.364 N/A ILE 746.A N TRP 742.A O no hydrogen 2.983 N/A SER 747.A N HIS 743.A O no hydrogen 2.890 N/A SER 747.A OG LEU 223.A O no hydrogen 3.526 N/A SER 747.A OG HIS 743.A O no hydrogen 2.944 N/A SER 747.A OG VAL 744.A O no hydrogen 2.728 N/A SER 748.A N VAL 744.A O no hydrogen 2.898 N/A SER 748.A OG VAL 744.A O no hydrogen 2.728 N/A SER 748.A OG SER 745.A O no hydrogen 2.494 N/A ALA 749.A N SER 745.A O no hydrogen 2.906 N/A LEU 750.A N ILE 746.A O no hydrogen 2.873 N/A ASN 751.A N SER 747.A O no hydrogen 2.940 N/A ASN 751.A ND2 SER 226.A O no hydrogen 2.572 N/A ASN 751.A ND2 ASN 230.A OD1 no hydrogen 3.381 N/A ARG 752.A N SER 748.A O no hydrogen 2.938 N/A ARG 752.A NH1 SER 748.A O no hydrogen 3.052 N/A GLY 753.A N ALA 749.A O no hydrogen 3.118 N/A LEU 754.A N LEU 750.A O no hydrogen 2.849 N/A LEU 755.A N ASN 751.A O no hydrogen 3.013 N/A VAL 756.A N ARG 752.A O no hydrogen 2.951 N/A GLU 757.A N GLY 753.A O no hydrogen 2.868 N/A LEU 758.A N LEU 754.A O no hydrogen 2.906 N/A GLU 759.A N LEU 755.A O no hydrogen 3.002 N/A LEU 760.A N VAL 756.A O no hydrogen 2.853 N/A VAL 761.A N GLU 757.A O no hydrogen 2.903 N/A ASN 762.A ND2 TYR 277.A OH no hydrogen 3.277 N/A LYS 763.A N GLU 759.A O no hydrogen 2.909 N/A LYS 763.A NZ LEU 804.A O no hydrogen 3.466 N/A HIS 764.A N LEU 760.A O no hydrogen 3.437 N/A LYS 765.A N GLU 784.A OE2 no hydrogen 2.705 N/A GLY 766.A N HIS 764.A O no hydrogen 2.562 N/A ILE 769.A N LEU 777.A O no hydrogen 2.767 N/A TYR 770.A N LEU 777.A O no hydrogen 3.363 N/A GLY 772.A N ASP 775.A O no hydrogen 3.005 N/A ALA 778.A N VAL 619.A O no hydrogen 3.015 N/A MET 779.A N PHE 767.A O no hydrogen 3.202 N/A LEU 780.A N ALA 617.A O no hydrogen 3.072 N/A GLU 784.A N PRO 781.A O no hydrogen 2.933 N/A ILE 789.A N VAL 785.A O no hydrogen 2.965 N/A LYS 790.A N LEU 786.A O no hydrogen 2.734 N/A GLU 791.A N ASP 787.A O no hydrogen 3.381 N/A GLU 791.A N PHE 788.A O no hydrogen 2.901 N/A SER 792.A N PHE 788.A O no hydrogen 2.724 N/A SER 792.A OG PHE 788.A O no hydrogen 3.318 N/A SER 792.A OG ILE 789.A O no hydrogen 3.062 N/A SER 792.A OG TYR 831.A OH no hydrogen 2.689 N/A ARG 793.A N ILE 789.A O no hydrogen 2.706 N/A ARG 793.A NH2 ARG 793.A O no hydrogen 3.214 N/A ARG 794.A NE ILE 907.A O no hydrogen 3.352 N/A ALA 795.A N GLU 791.A O no hydrogen 2.344 N/A PHE 796.A N SER 792.A O no hydrogen 2.853 N/A ALA 797.A N ARG 793.A O no hydrogen 3.123 N/A GLY 798.A N ARG 794.A O no hydrogen 2.874 N/A ASN 806.A ND2 LYS 260.A O no hydrogen 2.518 N/A CYS 808.A N ARG 815.A O no hydrogen 2.887 N/A GLY 812.A N GLY 798.A O no hydrogen 3.110 N/A VAL 814.A N TYR 821.A O no hydrogen 2.341 N/A ARG 815.A N CYS 808.A O no hydrogen 2.686 N/A ILE 816.A N ALA 819.A O no hydrogen 2.605 N/A ASN 817.A ND2 ASN 806.A O no hydrogen 2.399 N/A ASN 818.A N ILE 816.A O no hydrogen 2.564 N/A ALA 819.A N ILE 816.A O no hydrogen 3.079 N/A TYR 821.A N VAL 814.A O no hydrogen 2.588 N/A SER 823.A N GLY 812.A O no hydrogen 3.197 N/A LEU 824.A N SER 823.A OG no hydrogen 2.572 N/A ARG 829.A N ASP 876.A OD1 no hydrogen 2.290 N/A ARG 829.A NH1 TYR 831.A OH no hydrogen 2.562 N/A SER 830.A N ASP 622.A O no hydrogen 2.819 N/A SER 830.A OG ASP 624.A OD1 no hydrogen 2.241 N/A SER 830.A OG ASP 624.A OD2 no hydrogen 2.290 N/A TYR 831.A N VAL 877.A O no hydrogen 3.021 N/A TYR 831.A OH SER 792.A OG no hydrogen 2.689 N/A SER 832.A N ARG 620.A O no hydrogen 2.830 N/A SER 832.A OG SER 849.A O no hydrogen 3.138 N/A VAL 833.A N ILE 879.A O no hydrogen 2.856 N/A ILE 834.A N LEU 618.A O no hydrogen 3.287 N/A ILE 835.A N ARG 881.A O no hydrogen 3.186 N/A ALA 836.A N TYR 616.A O no hydrogen 3.382 N/A ALA 839.A N HIS 837.A ND1 no hydrogen 2.815 N/A ASP 840.A N HIS 837.A O no hydrogen 3.201 N/A PHE 844.A N PRO 841.A O no hydrogen 3.116 N/A VAL 845.A N PRO 841.A O no hydrogen 3.329 N/A ILE 846.A N LEU 842.A O no hydrogen 2.863 N/A ASN 847.A N PHE 843.A O no hydrogen 2.989 N/A ASP 848.A N PHE 844.A O no hydrogen 2.855 N/A SER 849.A N VAL 845.A O no hydrogen 2.930 N/A SER 849.A N ILE 846.A O no hydrogen 3.290 N/A SER 849.A OG VAL 845.A O no hydrogen 2.687 N/A SER 849.A OG ILE 846.A O no hydrogen 2.704 N/A TYR 850.A N ILE 846.A O no hydrogen 2.944 N/A ASN 851.A N ASN 847.A O no hydrogen 2.868 N/A LEU 853.A N SER 849.A O no hydrogen 2.998 N/A GLU 855.A N ASN 851.A O no hydrogen 2.679 N/A GLY 856.A N LEU 852.A O no hydrogen 2.761 N/A LYS 857.A N LEU 853.A O no hydrogen 3.172 N/A LYS 857.A NZ ASP 622.A OD1 no hydrogen 3.566 N/A LYS 857.A NZ ASP 622.A OD2 no hydrogen 3.438 N/A ILE 859.A N GLY 856.A O no hydrogen 3.386 N/A ILE 860.A N GLY 856.A O no hydrogen 3.421 N/A ARG 861.A N THR 981.A O no hydrogen 2.909 N/A TYR 862.A N ALA 873.A O no hydrogen 3.138 N/A TYR 862.A OH LYS 875.A O no hydrogen 2.720 N/A TYR 862.A OH SER 892.A OG no hydrogen 3.294 N/A ARG 863.A N ARG 979.A O no hydrogen 3.279 N/A VAL 864.A N LYS 871.A O no hydrogen 2.342 N/A GLU 869.A N TYR 866.A O no hydrogen 2.875 N/A LYS 871.A N VAL 864.A O no hydrogen 2.761 N/A ALA 873.A N TYR 862.A O no hydrogen 2.877 N/A LYS 874.A NZ GLU 858.A O no hydrogen 2.895 N/A LYS 875.A NZ LYS 857.A O no hydrogen 2.985 N/A LYS 875.A NZ GLU 858.A OE2 no hydrogen 2.874 N/A ILE 879.A N TYR 831.A O no hydrogen 2.878 N/A PHE 880.A N SER 887.A O no hydrogen 2.738 N/A ARG 881.A N VAL 833.A O no hydrogen 3.165 N/A TYR 882.A N LEU 885.A O no hydrogen 3.325 N/A TYR 882.A OH TYR 615.A OH no hydrogen 2.907 N/A TYR 882.A OH GLY 1006.A O no hydrogen 2.779 N/A SER 887.A N PHE 880.A O no hydrogen 3.190 N/A SER 887.A OG ASN 996.A O no hydrogen 3.161 N/A SER 887.A OG THR 1000.A OG1 no hydrogen 2.556 N/A ILE 889.A N ALA 878.A O no hydrogen 3.167 N/A LYS 894.A NZ GLU 906.A OE2 no hydrogen 3.045 N/A ARG 895.A N MET 865.A O no hydrogen 3.329 N/A ARG 895.A NE ALA 639.A O no hydrogen 2.791 N/A ARG 895.A NH1 LYS 875.A O no hydrogen 2.885 N/A ARG 895.A NH1 SER 892.A OG no hydrogen 2.956 N/A ARG 895.A NH2 SER 892.A OG no hydrogen 2.337 N/A ARG 895.A NH2 LYS 894.A O no hydrogen 2.187 N/A SER 899.A OG PRO 896.A O no hydrogen 3.238 N/A SER 900.A N ASP 903.A OD2 no hydrogen 3.134 N/A SER 902.A N SER 900.A OG no hydrogen 3.381 N/A ASP 903.A N SER 900.A O no hydrogen 2.998 N/A GLU 906.A N ASP 903.A O no hydrogen 2.897 N/A ALA 908.A N LEU 891.A O no hydrogen 2.739 N/A SER 909.A OG ASN 905.A O no hydrogen 2.609 N/A SER 909.A OG GLU 906.A O no hydrogen 2.693 N/A ILE 911.A N ALA 908.A O no hydrogen 3.179 N/A ASP 912.A N ALA 908.A O no hydrogen 3.486 N/A VAL 913.A N SER 909.A O no hydrogen 3.051 N/A ILE 914.A N ILE 910.A O no hydrogen 2.898 N/A LEU 915.A N ILE 911.A O no hydrogen 2.826 N/A GLU 916.A N ASP 912.A O no hydrogen 2.913 N/A LEU 917.A N VAL 913.A O no hydrogen 2.927 N/A LYS 918.A N ILE 914.A O no hydrogen 2.851 N/A LYS 919.A N LEU 915.A O no hydrogen 2.864 N/A ARG 920.A N LEU 917.A O no hydrogen 3.044 N/A ILE 921.A N LEU 917.A O no hydrogen 2.965 N/A SER 927.A N ASN 961.A O no hydrogen 2.893 N/A SER 929.A N SER 927.A OG no hydrogen 2.805 N/A LEU 931.A N VAL 928.A O no hydrogen 3.499 N/A TYR 932.A N SER 929.A O no hydrogen 2.879 N/A ASP 933.A N SER 929.A O no hydrogen 2.878 N/A TYR 934.A OH ASP 992.A OD1 no hydrogen 3.329 N/A LYS 936.A N ASP 933.A O no hydrogen 2.900 N/A TYR 937.A N TYR 934.A O no hydrogen 3.061 N/A LYS 938.A N TYR 934.A O no hydrogen 2.711 N/A ILE 941.A N TYR 937.A O no hydrogen 3.131 N/A VAL 942.A N LYS 938.A O no hydrogen 2.927 N/A ALA 943.A N HIS 939.A O no hydrogen 2.876 N/A SER 944.A N ILE 941.A O no hydrogen 3.263 N/A SER 944.A OG THR 950.A OG1 no hydrogen 2.427 N/A THR 950.A N GLU 946.A O no hydrogen 3.204 N/A THR 950.A OG1 SER 944.A OG no hydrogen 2.427 N/A GLU 951.A N LYS 947.A O no hydrogen 2.896 N/A PHE 952.A N TYR 948.A O no hydrogen 2.912 N/A LEU 953.A N LEU 949.A O no hydrogen 2.882 N/A VAL 954.A N THR 950.A O no hydrogen 2.899 N/A LYS 955.A N GLU 951.A O no hydrogen 2.876 N/A ASP 956.A N PHE 952.A O no hydrogen 2.868 N/A TRP 957.A N LEU 953.A O no hydrogen 2.938 N/A TRP 957.A NE1 LEU 930.A O no hydrogen 3.060 N/A ILE 958.A N VAL 954.A O no hydrogen 2.857 N/A LYS 959.A N LYS 955.A O no hydrogen 2.894 N/A ARG 960.A N ASP 956.A O no hydrogen 2.875 N/A ARG 960.A NE ASP 956.A OD1 no hydrogen 3.506 N/A ARG 960.A NH2 ASP 956.A OD1 no hydrogen 3.447 N/A ASN 961.A ND2 ASP 933.A OD2 no hydrogen 3.144 N/A SER 962.A N LYS 959.A O no hydrogen 3.325 N/A SER 962.A OG ILE 958.A O no hydrogen 2.760 N/A SER 962.A OG LYS 959.A O no hydrogen 3.540 N/A LEU 963.A N ARG 925.A O no hydrogen 2.836 N/A LYS 965.A NZ LEU 963.A O no hydrogen 3.172 N/A THR 970.A OG1 ILE 971.A O no hydrogen 3.171 N/A LYS 974.A N ASP 972.A OD2 no hydrogen 3.220 N/A ARG 979.A NH1 TYR 976.A O no hydrogen 3.157 N/A ARG 979.A NH1 VAL 978.A O no hydrogen 3.223 N/A ILE 982.A N LEU 980.A O no hydrogen 2.778 N/A TYR 985.A OH GLU 855.A OE2 no hydrogen 3.201 N/A SER 995.A N ASP 992.A OD1 no hydrogen 3.304 N/A SER 995.A OG ASP 992.A O no hydrogen 2.227 N/A SER 995.A OG ASP 992.A OD1 no hydrogen 2.585 N/A ASN 996.A N LEU 993.A O no hydrogen 2.542 N/A ILE 997.A N LEU 993.A O no hydrogen 2.900 N/A VAL 998.A N ILE 994.A O no hydrogen 2.904 N/A TYR 999.A N SER 995.A O no hydrogen 2.877 N/A THR 1000.A N ASN 996.A O no hydrogen 2.857 N/A THR 1000.A OG1 SER 887.A OG no hydrogen 2.556 N/A THR 1000.A OG1 ASN 996.A O no hydrogen 2.774 N/A LEU 1001.A N ILE 997.A O no hydrogen 3.492 N/A ARG 1002.A N VAL 998.A O no hydrogen 2.878 N/A ARG 1002.A NH1 LEU 931.A O no hydrogen 3.121 N/A ILE 1003.A N TYR 999.A O no hydrogen 2.866 N/A ILE 1004.A N THR 1000.A O no hydrogen 2.943 N/A TYR 1005.A N LEU 1001.A O no hydrogen 2.861 N/A GLY 1006.A N ILE 1003.A O no hydrogen 2.739 N/A GLY 1007.A N ILE 1004.A O no hydrogen 2.971 N/A