Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u4e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N GLU 4.A OE1 no hydrogen 3.311 N/A CYS 6.A SG GLU 4.A O no hydrogen 3.181 N/A CYS 6.A SG VAL 26.A O no hydrogen 3.223 N/A ILE 11.A N GLN 32.A O no hydrogen 3.471 N/A ASN 13.A N LEU 35.A O no hydrogen 3.225 N/A HIS 19.A N THR 16.A O no hydrogen 2.949 N/A HIS 19.A ND1 THR 16.A O no hydrogen 2.312 N/A GLU 20.A N ARG 17.A O no hydrogen 2.920 N/A LEU 21.A N LEU 18.A O no hydrogen 2.926 N/A GLU 22.A N HIS 19.A O no hydrogen 2.929 N/A SER 25.A OG LYS 51.A O no hydrogen 3.282 N/A ILE 27.A N MET 54.A O no hydrogen 2.799 N/A GLU 28.A N CYS 6.A O no hydrogen 2.510 N/A HIS 30.A ND1 GLN 32.A OE1 no hydrogen 2.278 N/A LEU 31.A N TYR 58.A O no hydrogen 3.249 N/A GLN 32.A NE2 TYR 58.A O no hydrogen 3.671 N/A ILE 33.A N LEU 60.A O no hydrogen 2.892 N/A LEU 34.A N ILE 11.A O no hydrogen 3.267 N/A MET 36.A N ARG 63.A O no hydrogen 3.260 N/A LYS 38.A NZ ASN 13.A O no hydrogen 2.344 N/A THR 39.A OG1 TYR 65.A O no hydrogen 2.902 N/A ARG 40.A NE THR 39.A O no hydrogen 2.644 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.645 N/A ASP 43.A N ARG 40.A O no hydrogen 3.124 N/A PHE 44.A N PRO 41.A O no hydrogen 2.901 N/A ASP 46.A N ASP 46.A OD1 no hydrogen 2.469 N/A SER 48.A OG LEU 47.A O no hydrogen 2.721 N/A SER 48.A OG ASP 72.A O no hydrogen 2.502 N/A PHE 49.A N LEU 73.A O no hydrogen 2.629 N/A LEU 52.A N PHE 49.A O no hydrogen 3.235 N/A ILE 53.A N SER 25.A O no hydrogen 2.597 N/A ILE 55.A N VAL 79.A O no hydrogen 3.367 N/A THR 56.A OG1 ILE 27.A O no hydrogen 2.299 N/A ASP 57.A N GLY 29.A O no hydrogen 2.851 N/A LEU 59.A N ALA 90.A O no hydrogen 2.913 N/A LEU 60.A N LEU 31.A O no hydrogen 2.911 N/A LEU 61.A N VAL 92.A O no hydrogen 2.911 N/A PHE 62.A N ILE 33.A O no hydrogen 2.943 N/A ARG 63.A N PHE 94.A O no hydrogen 3.184 N/A ARG 63.A NE GLU 95.A OE1 no hydrogen 2.842 N/A VAL 64.A N GLU 95.A O no hydrogen 3.400 N/A GLY 66.A N HIS 98.A ND1 no hydrogen 2.935 N/A LEU 70.A N LEU 102.A O no hydrogen 3.393 N/A PHE 74.A N LEU 70.A O no hydrogen 2.982 N/A ASN 76.A ND2 PRO 50.A O no hydrogen 3.084 N/A THR 78.A N ILE 53.A O no hydrogen 2.542 N/A THR 78.A OG1 ASN 76.A O no hydrogen 3.131 N/A ARG 81.A N ILE 55.A O no hydrogen 3.178 N/A ARG 81.A NH2 ASN 202.A O no hydrogen 2.310 N/A SER 83.A N THR 56.A O no hydrogen 2.590 N/A SER 83.A OG GLN 221.A O no hydrogen 3.342 N/A ARG 84.A NE LEU 85.A O no hydrogen 3.566 N/A PHE 86.A N TYR 89.A O no hydrogen 2.440 N/A PHE 87.A N LEU 85.A O no hydrogen 2.939 N/A TYR 89.A N PHE 86.A O no hydrogen 3.176 N/A TYR 89.A OH ASP 140.A O no hydrogen 3.187 N/A ALA 90.A N SER 114.A O no hydrogen 2.703 N/A VAL 92.A N LEU 59.A O no hydrogen 2.939 N/A ILE 93.A N ARG 116.A O no hydrogen 3.287 N/A PHE 94.A N LEU 61.A O no hydrogen 2.886 N/A VAL 97.A N VAL 64.A O no hydrogen 2.768 N/A LYS 100.A N GLU 68.A O no hydrogen 3.278 N/A LYS 100.A NZ GLU 68.A OE1 no hydrogen 2.885 N/A GLU 101.A N GLU 68.A O no hydrogen 3.133 N/A ASN 106.A ND2 PRO 75.A O no hydrogen 2.418 N/A LEU 107.A N LEU 104.A O no hydrogen 3.318 N/A MET 108.A N THR 78.A O no hydrogen 3.460 N/A THR 111.A N ILE 80.A O no hydrogen 3.423 N/A ARG 112.A NE GLY 82.A O no hydrogen 2.349 N/A ARG 112.A NH2 GLY 82.A O no hydrogen 3.235 N/A SER 114.A N ASN 88.A O no hydrogen 3.260 N/A ARG 116.A N LEU 91.A O no hydrogen 2.845 N/A ARG 116.A NH1 TYR 89.A OH no hydrogen 2.653 N/A ILE 117.A N TYR 142.A O no hydrogen 3.125 N/A LYS 119.A NZ GLU 118.A OE2 no hydrogen 2.557 N/A ASN 120.A N LEU 145.A O no hydrogen 2.594 N/A ASN 120.A ND2 ILE 93.A O no hydrogen 3.673 N/A ASN 120.A ND2 ASN 146.A OD1 no hydrogen 3.628 N/A CYS 124.A N LYS 100.A O no hydrogen 2.382 N/A CYS 124.A SG GLU 122.A O no hydrogen 3.852 N/A THR 128.A OG1 CYS 154.A O no hydrogen 2.248 N/A ASP 130.A N GLN 161.A OE1 no hydrogen 2.496 N/A SER 132.A OG ASP 130.A OD1 no hydrogen 2.341 N/A ARG 133.A N ASP 130.A OD1 no hydrogen 2.848 N/A ILE 134.A N ASP 130.A O no hydrogen 3.372 N/A LEU 135.A N TRP 131.A O no hydrogen 2.454 N/A SER 137.A OG GLU 139.A OE1 no hydrogen 2.636 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.485 N/A VAL 144.A N ILE 117.A O no hydrogen 3.076 N/A ASN 146.A N ASP 149.A OD1 no hydrogen 2.951 N/A LYS 147.A N LEU 123.A O no hydrogen 3.268 N/A ASN 150.A N LYS 147.A O no hydrogen 3.289 N/A ARG 153.A NH1 GLU 152.A O no hydrogen 2.670 N/A CYS 154.A SG THR 128.A OG1 no hydrogen 3.384 N/A CYS 154.A SG THR 156.A O no hydrogen 3.486 N/A THR 156.A N HIS 159.A O no hydrogen 3.122 N/A THR 156.A OG1 HIS 159.A ND1 no hydrogen 2.540 N/A SER 158.A N THR 156.A OG1 no hydrogen 3.142 N/A GLN 161.A N ARG 153.A O no hydrogen 2.789 N/A GLN 161.A NE2 ASP 130.A O no hydrogen 2.691 N/A LYS 162.A NZ CYS 173.A O no hydrogen 3.164 N/A CYS 164.A SG GLY 186.A O no hydrogen 4.023 N/A CYS 168.A SG GLY 177.A O no hydrogen 3.633 N/A THR 174.A N LEU 178.A O no hydrogen 3.276 N/A ALA 175.A N THR 174.A OG1 no hydrogen 2.537 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 3.150 N/A GLY 177.A N THR 174.A O no hydrogen 2.882 N/A CYS 180.A N GLY 172.A O no hydrogen 2.995 N/A CYS 180.A SG GLY 172.A O no hydrogen 3.176 N/A GLU 183.A N HIS 181.A ND1 no hydrogen 3.067 N/A CYS 184.A N HIS 181.A O no hydrogen 3.015 N/A CYS 184.A SG ASP 193.A O no hydrogen 3.271 N/A ASN 187.A N LEU 185.A O no hydrogen 2.696 N/A CYS 188.A N ASN 187.A OD1 no hydrogen 2.776 N/A CYS 188.A SG GLN 190.A O no hydrogen 3.210 N/A SER 189.A N LYS 196.A O no hydrogen 2.652 N/A SER 189.A OG LYS 196.A O no hydrogen 3.299 N/A THR 195.A N ASP 193.A OD1 no hydrogen 3.065 N/A THR 195.A OG1 ASP 193.A OD1 no hydrogen 2.557 N/A LYS 196.A NZ GLN 190.A OE1 no hydrogen 3.351 N/A CYS 197.A N PRO 194.A O no hydrogen 3.493 N/A CYS 197.A SG ASP 193.A O no hydrogen 3.156 N/A CYS 197.A SG PRO 194.A O no hydrogen 3.523 N/A VAL 198.A N ASN 187.A O no hydrogen 3.214 N/A ARG 201.A N GLU 183.A O no hydrogen 2.535 N/A ARG 201.A NH2 SER 170.A OG no hydrogen 3.088 N/A ASN 202.A N GLU 183.A OE1 no hydrogen 3.305 N/A TYR 204.A N TRP 223.A O no hydrogen 2.923 N/A LEU 205.A N ARG 208.A O no hydrogen 2.872 N/A ARG 208.A N LEU 205.A O no hydrogen 2.910 N/A CYS 209.A N PRO 194.A O no hydrogen 3.342 N/A VAL 210.A N PHE 203.A O no hydrogen 2.881 N/A THR 212.A OG1 HIS 219.A NE2 no hydrogen 3.244 N/A CYS 213.A SG ARG 224.A O no hydrogen 3.194 N/A TYR 218.A N VAL 226.A O no hydrogen 2.849 N/A HIS 219.A N ASN 251.A O no hydrogen 2.377 N/A HIS 219.A ND1 ASN 251.A O no hydrogen 2.579 N/A HIS 219.A NE2 THR 212.A OG1 no hydrogen 3.244 N/A PHE 220.A N ARG 224.A O no hydrogen 2.829 N/A GLN 221.A NE2 CYS 253.A O no hydrogen 3.155 N/A TRP 223.A N PHE 220.A O no hydrogen 2.953 N/A ARG 224.A N PHE 220.A O no hydrogen 3.025 N/A CYS 225.A SG THR 212.A O no hydrogen 3.920 N/A VAL 226.A N TYR 218.A O no hydrogen 2.918 N/A PHE 230.A N ASN 227.A OD1 no hydrogen 3.349 N/A CYS 231.A N ASN 227.A O no hydrogen 3.436 N/A GLN 232.A N PHE 228.A O no hydrogen 2.878 N/A ASP 233.A N SER 229.A O no hydrogen 2.901 N/A LEU 234.A N PHE 230.A O no hydrogen 2.903 N/A HIS 235.A N CYS 231.A O no hydrogen 2.887 N/A HIS 236.A N GLN 232.A O no hydrogen 2.877 N/A LYS 237.A N ASP 233.A O no hydrogen 2.862 N/A CYS 238.A N LEU 234.A O no hydrogen 2.927 N/A CYS 238.A SG CYS 243.A O no hydrogen 3.190 N/A LYS 239.A N HIS 235.A O no hydrogen 2.878 N/A ASN 240.A N HIS 236.A O no hydrogen 3.048 N/A SER 241.A N CYS 238.A O no hydrogen 3.177 N/A ARG 242.A N SER 241.A OG no hydrogen 2.528 N/A CYS 243.A SG CYS 238.A O no hydrogen 3.129 N/A GLN 245.A NE2 HIS 235.A ND1 no hydrogen 3.523 N/A VAL 247.A N ILE 254.A O no hydrogen 2.876 N/A ILE 248.A N LEU 268.A O no hydrogen 2.993 N/A HIS 249.A N LYS 252.A O no hydrogen 2.878 N/A LYS 252.A N HIS 249.A O no hydrogen 2.906 N/A THR 262.A N THR 271.A O no hydrogen 2.885 N/A ASN 264.A N ASN 267.A O no hydrogen 3.303 N/A SER 266.A OG ASN 267.A OD1 no hydrogen 3.118 N/A THR 271.A N THR 262.A O no hydrogen 2.886 N/A CYS 273.A N GLY 260.A O no hydrogen 2.803 N/A CYS 273.A SG THR 262.A OG1 no hydrogen 2.679 N/A CYS 273.A SG CYS 277.A O no hydrogen 3.562 N/A CYS 277.A SG LEU 274.A O no hydrogen 3.000 N/A CYS 277.A SG GLY 275.A O no hydrogen 3.429 N/A LYS 279.A NZ VAL 280.A O no hydrogen 3.107 N/A CYS 281.A N VAL 302.A O no hydrogen 2.736 N/A LYS 286.A N SER 306.A O no hydrogen 3.423 N/A LYS 286.A NZ THR 287.A O no hydrogen 2.926 N/A LYS 286.A NZ SER 293.A OG no hydrogen 2.690 N/A THR 287.A OG1 ILE 308.A O no hydrogen 2.993 N/A THR 292.A N SER 290.A OG no hydrogen 3.410 N/A SER 293.A OG THR 287.A O no hydrogen 2.913 N/A ALA 294.A N SER 290.A O no hydrogen 3.453 N/A GLN 295.A N THR 292.A O no hydrogen 3.089 N/A LEU 297.A N ALA 294.A O no hydrogen 3.069 N/A ARG 298.A N GLN 295.A O no hydrogen 3.319 N/A CYS 300.A N LEU 297.A O no hydrogen 2.923 N/A ILE 303.A N GLU 326.A O no hydrogen 3.064 N/A ASN 304.A N CYS 281.A O no hydrogen 2.901 N/A ASN 304.A ND2 HIS 282.A ND1 no hydrogen 3.202 N/A SER 306.A N GLY 284.A O no hydrogen 2.588 N/A SER 306.A OG GLU 285.A OE2 no hydrogen 3.363 N/A SER 306.A OG THR 355.A OG1 no hydrogen 2.791 N/A LEU 307.A N TYR 330.A O no hydrogen 3.375 N/A ILE 308.A N LYS 286.A O no hydrogen 3.382 N/A ILE 309.A N LYS 332.A O no hydrogen 2.882 N/A ASN 310.A N ILE 288.A O no hydrogen 3.111 N/A ILE 311.A N SER 336.A OG no hydrogen 2.579 N/A ARG 312.A NH1 ARG 335.A O no hydrogen 2.914 N/A GLU 316.A N GLU 316.A OE1 no hydrogen 2.584 N/A GLU 318.A N ALA 314.A O no hydrogen 2.967 N/A ALA 319.A N ALA 315.A O no hydrogen 2.896 N/A ASN 320.A N GLU 316.A O no hydrogen 2.903 N/A LEU 321.A N LEU 317.A O no hydrogen 2.421 N/A GLU 325.A N THR 301.A O no hydrogen 2.732 N/A GLU 326.A N THR 301.A O no hydrogen 3.393 N/A SER 328.A N ILE 303.A O no hydrogen 2.943 N/A SER 328.A OG ILE 303.A O no hydrogen 3.273 N/A SER 328.A OG GLY 305.A O no hydrogen 2.758 N/A GLY 329.A N GLY 305.A O no hydrogen 2.619 N/A TYR 330.A N SER 306.A OG no hydrogen 3.172 N/A LEU 331.A N SER 362.A O no hydrogen 3.068 N/A LYS 332.A N LEU 307.A O no hydrogen 2.951 N/A ILE 333.A N TYR 364.A O no hydrogen 2.873 N/A ARG 334.A N ILE 309.A O no hydrogen 3.001 N/A ARG 335.A N LEU 366.A O no hydrogen 3.120 N/A SER 336.A N ASN 368.A OD1 no hydrogen 3.321 N/A SER 341.A OG LEU 374.A O no hydrogen 3.519 N/A SER 343.A OG GLU 318.A OE2 no hydrogen 3.268 N/A PHE 345.A N LEU 342.A O no hydrogen 3.290 N/A ARG 346.A N PHE 344.A O no hydrogen 2.642 N/A LYS 347.A NZ GLY 322.A O no hydrogen 3.494 N/A ARG 349.A NH1 LYS 347.A O no hydrogen 3.568 N/A ILE 351.A N THR 383.A O no hydrogen 2.892 N/A ARG 352.A N ILE 327.A O no hydrogen 3.118 N/A GLU 354.A N SER 328.A O no hydrogen 3.145 N/A THR 355.A OG1 SER 306.A OG no hydrogen 2.791 N/A GLU 357.A N TYR 361.A O no hydrogen 2.624 N/A TYR 361.A N GLU 357.A O no hydrogen 2.876 N/A TYR 361.A OH ASP 419.A OD1 no hydrogen 3.262 N/A SER 362.A N LYS 388.A O no hydrogen 2.526 N/A SER 362.A OG LYS 388.A O no hydrogen 2.969 N/A PHE 363.A N LYS 388.A O no hydrogen 3.086 N/A TYR 364.A N LEU 331.A O no hydrogen 2.933 N/A ALA 365.A N PHE 390.A O no hydrogen 2.890 N/A LEU 366.A N ILE 333.A O no hydrogen 2.981 N/A ASP 367.A N HIS 392.A O no hydrogen 3.427 N/A ASN 368.A ND2 ILE 333.A O no hydrogen 3.099 N/A ASN 370.A ND2 TYR 337.A O no hydrogen 2.264 N/A ARG 372.A N VAL 340.A O no hydrogen 2.342 N/A GLN 373.A N VAL 340.A O no hydrogen 3.308 N/A GLN 373.A NE2 GLU 480.A O no hydrogen 2.487 N/A LEU 374.A N GLU 401.A OE2 no hydrogen 2.364 N/A TRP 375.A NE1 PHE 345.A O no hydrogen 2.833 N/A SER 378.A OG ASP 376.A OD1 no hydrogen 2.415 N/A LYS 379.A N ASP 376.A O no hydrogen 2.780 N/A HIS 380.A N ASP 376.A O no hydrogen 2.488 N/A THR 383.A OG1 ARG 349.A O no hydrogen 3.288 N/A THR 385.A N ILE 351.A O no hydrogen 2.798 N/A THR 385.A OG1 ILE 351.A O no hydrogen 2.637 N/A GLN 386.A NE2 GLU 354.A OE1 no hydrogen 2.907 N/A LYS 388.A NZ GLY 359.A O no hydrogen 2.968 N/A LEU 389.A N GLN 415.A OE1 no hydrogen 2.453 N/A PHE 390.A N PHE 363.A O no hydrogen 2.932 N/A PHE 391.A N ASP 419.A O no hydrogen 3.254 N/A TYR 393.A N THR 424.A OG1 no hydrogen 3.287 N/A ASN 394.A N THR 424.A O no hydrogen 2.951 N/A CYS 398.A SG SER 400.A OG no hydrogen 3.109 N/A GLU 401.A N CYS 398.A O no hydrogen 3.179 N/A HIS 403.A N LEU 399.A O no hydrogen 2.874 N/A LYS 404.A N SER 400.A O no hydrogen 2.933 N/A LYS 404.A NZ GLU 407.A OE2 no hydrogen 3.115 N/A MET 405.A N GLU 401.A O no hydrogen 2.922 N/A GLU 406.A N GLU 406.A OE1 no hydrogen 2.508 N/A VAL 408.A N LYS 404.A O no hydrogen 2.957 N/A SER 409.A N MET 405.A O no hydrogen 2.907 N/A SER 409.A OG MET 405.A O no hydrogen 2.750 N/A SER 409.A OG THR 411.A OG1 no hydrogen 3.200 N/A THR 411.A N GLU 406.A O no hydrogen 3.016 N/A THR 411.A OG1 SER 409.A OG no hydrogen 3.200 N/A ARG 414.A NH1 ILE 384.A O no hydrogen 2.484 N/A ARG 414.A NH2 ILE 384.A O no hydrogen 3.109 N/A GLU 416.A N ASP 419.A OD2 no hydrogen 2.642 N/A ASP 419.A N GLU 416.A O no hydrogen 2.929 N/A ALA 421.A N PHE 391.A O no hydrogen 3.189 N/A THR 424.A OG1 ASN 425.A OD1 no hydrogen 3.443 N/A ASN 425.A ND2 PHE 391.A O no hydrogen 3.199 N/A ASN 425.A ND2 ALA 421.A O no hydrogen 2.374 N/A GLY 426.A N ASN 394.A O no hydrogen 2.792 N/A GLN 428.A N PRO 395.A O no hydrogen 2.631 N/A ALA 429.A N PRO 395.A O no hydrogen 2.990 N/A CYS 431.A SG SER 400.A OG no hydrogen 3.737 N/A GLU 434.A N GLU 432.A OE1 no hydrogen 2.938 N/A LEU 436.A N LYS 535.A O no hydrogen 3.141 N/A SER 439.A OG ARG 451.A O no hydrogen 2.646 N/A TYR 440.A N ARG 451.A O no hydrogen 3.380 N/A SER 444.A N LYS 447.A O no hydrogen 2.766 N/A SER 444.A OG LYS 447.A O no hydrogen 2.637 N/A LYS 447.A N SER 444.A OG no hydrogen 2.838 N/A LYS 447.A NZ GLY 511.A O no hydrogen 2.716 N/A GLU 453.A N LYS 437.A O no hydrogen 2.554 N/A TYR 455.A OH TYR 532.A O no hydrogen 2.292 N/A ARG 461.A N ASP 459.A OD1 no hydrogen 2.894 N/A ASP 462.A N ASP 459.A O no hydrogen 2.876 N/A LEU 464.A N LEU 525.A O no hydrogen 3.127 N/A PHE 466.A N ILE 493.A O no hydrogen 3.089 N/A MET 467.A N LYS 523.A O no hydrogen 2.879 N/A LEU 468.A N VAL 491.A O no hydrogen 2.894 N/A PHE 469.A N PHE 521.A O no hydrogen 2.901 N/A TYR 470.A N THR 489.A O no hydrogen 3.095 N/A LYS 471.A N ALA 519.A O no hydrogen 3.150 N/A LYS 471.A NZ SER 487.A OG no hydrogen 3.306 N/A ALA 473.A N GLN 517.A O no hydrogen 2.740 N/A THR 479.A OG1 ASP 482.A OD2 no hydrogen 2.733 N/A GLN 484.A N ASN 486.A OD1 no hydrogen 2.884 N/A ASN 486.A ND2 GLN 484.A O no hydrogen 2.755 N/A SER 487.A OG ASN 486.A O no hydrogen 2.564 N/A THR 489.A OG1 TYR 470.A O no hydrogen 2.778 N/A VAL 491.A N LEU 468.A O no hydrogen 2.945 N/A ILE 493.A N PHE 466.A O no hydrogen 2.755 N/A SER 499.A OG SER 501.A O no hydrogen 2.454 N/A SER 499.A OG GLN 502.A OE1 no hydrogen 2.298 N/A ASN 503.A ND2 LEU 497.A O no hydrogen 2.664 N/A TRP 507.A N LEU 450.A O no hydrogen 2.501 N/A MET 509.A N ILE 448.A O no hydrogen 3.034 N/A LYS 513.A N TYR 518.A OH no hydrogen 2.748 N/A LYS 513.A NZ ASP 573.A OD1 no hydrogen 3.008 N/A THR 516.A N THR 543.A OG1 no hydrogen 2.729 N/A THR 516.A OG1 LYS 513.A O no hydrogen 2.185 N/A TYR 518.A N VAL 541.A O no hydrogen 2.892 N/A ALA 519.A N LYS 471.A O no hydrogen 2.923 N/A ILE 520.A N ILE 539.A O no hydrogen 2.901 N/A PHE 521.A N PHE 469.A O no hydrogen 2.941 N/A VAL 522.A N SER 536.A OG no hydrogen 3.104 N/A LYS 523.A N MET 467.A O no hydrogen 2.891 N/A THR 524.A N ALA 534.A O no hydrogen 3.331 N/A THR 524.A OG1 ALA 534.A O no hydrogen 2.816 N/A SER 529.A OG SER 529.A O no hydrogen 2.467 N/A ARG 530.A N TYR 532.A OH no hydrogen 3.030 N/A LYS 535.A N GLU 434.A O no hydrogen 2.943 N/A SER 536.A OG ASP 537.A O no hydrogen 3.340 N/A ILE 539.A N ILE 520.A O no hydrogen 2.919 N/A VAL 541.A N TYR 518.A O no hydrogen 2.918 N/A GLN 542.A NE2 THR 543.A O no hydrogen 2.433 N/A THR 543.A N THR 516.A O no hydrogen 2.867 N/A THR 543.A OG1 LYS 513.A O no hydrogen 3.472 N/A THR 543.A OG1 THR 516.A O no hydrogen 3.303 N/A ASN 547.A N THR 546.A OG1 no hydrogen 2.684 N/A ASN 547.A ND2 CYS 677.A O no hydrogen 3.653 N/A SER 549.A N ASP 573.A O no hydrogen 2.876 N/A SER 549.A OG SER 572.A OG no hydrogen 2.928 N/A VAL 550.A N SER 549.A OG no hydrogen 2.480 N/A LEU 552.A N LYS 569.A O no hydrogen 2.587 N/A ILE 555.A N LYS 567.A O no hydrogen 2.863 N/A VAL 557.A N ILE 565.A O no hydrogen 2.910 N/A SER 560.A N GLN 563.A O no hydrogen 3.176 N/A SER 561.A OG GLU 690.A OE2 no hydrogen 2.679 N/A SER 562.A N SER 560.A OG no hydrogen 3.404 N/A ILE 564.A N ILE 652.A O no hydrogen 2.908 N/A ILE 565.A N VAL 557.A O no hydrogen 2.900 N/A LEU 566.A N LEU 650.A O no hydrogen 2.857 N/A LYS 567.A N ILE 555.A O no hydrogen 2.908 N/A LYS 567.A NZ TRP 568.A O no hydrogen 2.241 N/A LYS 567.A NZ GLU 648.A O no hydrogen 3.314 N/A TRP 568.A N GLU 648.A O no hydrogen 3.021 N/A LYS 569.A N LEU 552.A O no hydrogen 2.421 N/A LYS 569.A NZ ASP 553.A OD2 no hydrogen 3.180 N/A SER 572.A OG SER 549.A OG no hydrogen 2.928 N/A THR 579.A OG1 CYS 668.A O no hydrogen 2.172 N/A HIS 580.A N CYS 668.A O no hydrogen 2.934 N/A HIS 580.A ND1 TYR 581.A O no hydrogen 2.640 N/A HIS 580.A NE2 GLU 675.A OE1 no hydrogen 2.741 N/A TYR 581.A N VAL 644.A O no hydrogen 2.860 N/A TYR 581.A OH GLU 648.A OE2 no hydrogen 2.328 N/A LEU 582.A N GLN 666.A O no hydrogen 2.871 N/A VAL 583.A N GLU 642.A O no hydrogen 2.931 N/A PHE 584.A N GLU 664.A O no hydrogen 2.865 N/A TRP 585.A N PRO 640.A O no hydrogen 3.164 N/A GLU 586.A N ARG 662.A O no hydrogen 2.942 N/A GLN 588.A N GLY 660.A O no hydrogen 2.863 N/A LEU 594.A N ASP 591.A O no hydrogen 3.456 N/A PHE 595.A N SER 592.A O no hydrogen 2.903 N/A GLU 596.A N GLU 593.A O no hydrogen 3.480 N/A LEU 597.A N LEU 594.A O no hydrogen 3.152 N/A CYS 600.A N ASP 598.A OD1 no hydrogen 3.162 N/A GLU 614.A N GLU 614.A OE1 no hydrogen 2.428 N/A GLU 616.A N LEU 612.A O no hydrogen 2.909 N/A GLU 617.A N LYS 613.A O no hydrogen 2.861 N/A SER 618.A N GLU 614.A O no hydrogen 2.934 N/A SER 619.A N LEU 615.A O no hydrogen 2.966 N/A PHE 620.A N GLU 616.A O no hydrogen 2.791 N/A ARG 621.A N GLU 617.A O no hydrogen 2.935 N/A LYS 622.A N SER 618.A O no hydrogen 2.927 N/A LYS 622.A NZ ASP 462.A OD1 no hydrogen 2.392 N/A THR 623.A N SER 619.A O no hydrogen 2.875 N/A PHE 624.A N PHE 620.A O no hydrogen 2.979 N/A GLU 625.A N ARG 621.A O no hydrogen 2.942 N/A ASP 626.A N LYS 622.A O no hydrogen 2.929 N/A TYR 627.A N THR 623.A O no hydrogen 2.910 N/A LEU 628.A N PHE 624.A O no hydrogen 2.953 N/A HIS 629.A N GLU 625.A O no hydrogen 2.937 N/A ASN 630.A N ASP 626.A O no hydrogen 2.885 N/A VAL 631.A N TYR 627.A O no hydrogen 2.946 N/A VAL 632.A N LEU 628.A O no hydrogen 2.933 N/A PHE 633.A N HIS 629.A O no hydrogen 3.489 N/A GLU 642.A N VAL 583.A O no hydrogen 2.855 N/A LYS 643.A NZ GLU 675.A OE2 no hydrogen 2.323 N/A VAL 644.A N TYR 581.A O no hydrogen 2.874 N/A LEU 650.A N LEU 566.A O no hydrogen 2.890 N/A ILE 652.A N ILE 564.A O no hydrogen 2.889 N/A SER 653.A OG GLN 563.A OE1 no hydrogen 2.316 N/A LEU 655.A N SER 562.A OG no hydrogen 2.880 N/A ARG 656.A NH1 PRO 720.A O no hydrogen 3.013 N/A HIS 657.A NE2 PRO 720.A O no hydrogen 2.422 N/A PHE 658.A N MET 688.A O no hydrogen 3.353 N/A THR 659.A N THR 687.A OG1 no hydrogen 3.099 N/A THR 659.A OG1 ARG 656.A O no hydrogen 2.888 N/A THR 659.A OG1 HIS 657.A O no hydrogen 2.970 N/A GLY 660.A N GLU 590.A OE2 no hydrogen 3.416 N/A TYR 661.A N ALA 685.A O no hydrogen 2.836 N/A ARG 662.A N GLU 586.A O no hydrogen 2.863 N/A ILE 663.A N VAL 683.A O no hydrogen 2.810 N/A GLU 664.A N PHE 584.A O no hydrogen 2.859 N/A LEU 665.A N ALA 681.A O no hydrogen 2.884 N/A GLN 666.A N LEU 582.A O no hydrogen 2.899 N/A GLN 666.A NE2 GLU 664.A OE2 no hydrogen 2.749 N/A CYS 668.A N HIS 580.A O no hydrogen 2.893 N/A CYS 668.A SG GLU 675.A OE1 no hydrogen 3.427 N/A ASN 669.A ND2 THR 546.A O no hydrogen 2.540 N/A ASN 669.A ND2 ASN 575.A O no hydrogen 2.373 N/A THR 672.A N ASP 671.A OD1 no hydrogen 2.617 N/A GLU 674.A N THR 672.A O no hydrogen 3.044 N/A ARG 676.A NE GLN 670.A OE1 no hydrogen 2.712 N/A CYS 677.A SG GLU 675.A O no hydrogen 3.609 N/A CYS 677.A SG GLU 675.A OE1 no hydrogen 3.632 N/A SER 678.A N ALA 667.A O no hydrogen 3.312 N/A SER 678.A OG VAL 679.A O no hydrogen 3.513 N/A ALA 681.A N LEU 665.A O no hydrogen 2.894 N/A VAL 683.A N ILE 663.A O no hydrogen 2.982 N/A ALA 685.A N TYR 661.A O no hydrogen 2.930 N/A ARG 686.A NH1 GLU 590.A OE1 no hydrogen 2.933 N/A ARG 686.A NH1 PHE 658.A O no hydrogen 2.361 N/A ARG 686.A NH2 GLU 590.A OE1 no hydrogen 2.380 N/A THR 687.A N THR 659.A O no hydrogen 3.312 N/A THR 687.A OG1 SER 561.A O no hydrogen 3.253 N/A THR 687.A OG1 ARG 656.A O no hydrogen 2.630 N/A ASP 695.A N LYS 692.A O no hydrogen 3.313 N/A THR 701.A N MET 713.A O no hydrogen 2.486 N/A PHE 705.A N VAL 709.A O no hydrogen 2.694 N/A ASN 708.A N PHE 705.A O no hydrogen 3.183 N/A ASN 708.A ND2 LEU 759.A O no hydrogen 2.794 N/A VAL 710.A N LEU 756.A O no hydrogen 2.880 N/A HIS 711.A N GLU 703.A O no hydrogen 3.159 N/A HIS 711.A ND1 GLU 703.A OE2 no hydrogen 2.869 N/A LEU 712.A N CYS 754.A O no hydrogen 2.866 N/A MET 713.A N THR 701.A O no hydrogen 2.440 N/A ASN 721.A ND2 GLU 690.A O no hydrogen 2.900 N/A VAL 725.A N THR 771.A O no hydrogen 2.915 N/A TYR 727.A N VAL 743.A O no hydrogen 2.875 N/A GLU 728.A N ARG 769.A O no hydrogen 2.550 N/A VAL 729.A N LEU 741.A O no hydrogen 2.881 N/A SER 730.A N ARG 767.A O no hydrogen 2.472 N/A SER 730.A OG SER 730.A O no hydrogen 2.515 N/A SER 730.A OG ARG 767.A O no hydrogen 3.423 N/A TYR 731.A N LEU 739.A O no hydrogen 2.904 N/A ARG 732.A N SER 765.A O no hydrogen 3.329 N/A ARG 732.A NE ASP 736.A O no hydrogen 2.841 N/A ARG 733.A NE TYR 734.A O no hydrogen 2.825 N/A ARG 733.A NH2 TYR 734.A O no hydrogen 2.978 N/A TYR 734.A N ASN 763.A O no hydrogen 2.420 N/A ASP 736.A N ARG 733.A O no hydrogen 2.830 N/A LEU 741.A N VAL 729.A O no hydrogen 2.880 N/A VAL 743.A N TYR 727.A O no hydrogen 2.894 N/A SER 744.A OG ASP 598.A OD2 no hydrogen 2.992 N/A HIS 747.A N SER 744.A OG no hydrogen 2.964 N/A PHE 748.A N SER 744.A O no hydrogen 2.762 N/A ALA 749.A N ARG 745.A O no hydrogen 2.917 N/A LEU 750.A N LYS 746.A O no hydrogen 2.891 N/A GLU 751.A N HIS 747.A O no hydrogen 3.090 N/A ARG 752.A NE ALA 749.A O no hydrogen 2.913 N/A ARG 752.A NH2 ALA 749.A O no hydrogen 3.209 N/A GLY 753.A N PHE 748.A O no hydrogen 3.172 N/A CYS 754.A N LEU 712.A O no hydrogen 2.914 N/A LEU 756.A N VAL 710.A O no hydrogen 2.941 N/A LEU 759.A N ASN 708.A O no hydrogen 2.925 N/A SER 760.A N TYR 764.A OH no hydrogen 2.883 N/A SER 760.A OG TYR 764.A OH no hydrogen 2.985 N/A GLY 762.A N VAL 787.A O no hydrogen 2.902 N/A TYR 764.A N PHE 785.A O no hydrogen 2.896 N/A TYR 764.A OH SER 760.A OG no hydrogen 2.985 N/A ARG 767.A N SER 730.A O no hydrogen 3.072 N/A ILE 768.A N THR 780.A OG1 no hydrogen 2.394 N/A ARG 769.A N GLU 728.A O no hydrogen 2.519 N/A ARG 769.A NE GLU 728.A OE2 no hydrogen 2.431 N/A ARG 769.A NH2 GLU 728.A OE2 no hydrogen 2.938 N/A THR 771.A N LEU 726.A O no hydrogen 2.717 N/A THR 771.A OG1 ASN 776.A OD1 no hydrogen 2.765 N/A SER 772.A N GLY 775.A O no hydrogen 2.836 N/A SER 772.A OG GLY 775.A O no hydrogen 3.503 N/A LEU 773.A N LEU 723.A O no hydrogen 3.193 N/A ALA 774.A N SER 772.A OG no hydrogen 3.206 N/A GLY 777.A N ALA 770.A O no hydrogen 2.522 N/A THR 780.A OG1 VAL 766.A O no hydrogen 3.527 N/A THR 780.A OG1 ILE 768.A O no hydrogen 3.445 N/A THR 783.A N VAL 766.A O no hydrogen 3.371 N/A THR 783.A OG1 GLU 781.A O no hydrogen 3.552 N/A VAL 787.A N GLY 762.A O no hydrogen 2.888 N/A