Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u4b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N GLU 6.A OE1 no hydrogen 2.433 N/A CYS 8.A N VAL 28.A O no hydrogen 3.070 N/A ILE 13.A N GLN 34.A O no hydrogen 3.200 N/A ARG 14.A NH2 ASP 12.A OD2 no hydrogen 3.379 N/A ASN 15.A N LEU 37.A O no hydrogen 3.148 N/A LEU 20.A N LEU 17.A O no hydrogen 2.943 N/A LEU 23.A N LEU 20.A O no hydrogen 3.527 N/A SER 27.A N GLU 6.A O no hydrogen 3.113 N/A ILE 29.A N MET 56.A O no hydrogen 2.886 N/A GLU 30.A N GLU 30.A OE2 no hydrogen 2.690 N/A LEU 33.A N TYR 60.A O no hydrogen 3.194 N/A GLN 34.A NE2 ASP 12.A OD1 no hydrogen 2.474 N/A ILE 35.A N LEU 62.A O no hydrogen 2.873 N/A LEU 36.A N ILE 13.A O no hydrogen 3.480 N/A LEU 37.A N PHE 64.A O no hydrogen 3.137 N/A MET 38.A N ARG 65.A O no hydrogen 3.034 N/A ARG 42.A N ASP 45.A OD2 no hydrogen 2.656 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.497 N/A ASP 45.A N ARG 42.A O no hydrogen 2.967 N/A PHE 46.A N PRO 43.A O no hydrogen 3.147 N/A ARG 47.A N GLU 44.A O no hydrogen 3.396 N/A SER 50.A OG LEU 49.A O no hydrogen 2.722 N/A SER 50.A OG ASP 74.A O no hydrogen 2.960 N/A PHE 51.A N LEU 75.A O no hydrogen 3.308 N/A LYS 53.A NZ GLU 24.A O no hydrogen 3.400 N/A LEU 54.A N PHE 51.A O no hydrogen 3.292 N/A ILE 55.A N SER 27.A O no hydrogen 2.905 N/A ILE 57.A N VAL 81.A O no hydrogen 3.382 N/A THR 58.A N ILE 29.A O no hydrogen 3.056 N/A THR 58.A OG1 ILE 29.A O no hydrogen 2.921 N/A THR 58.A OG1 GLY 31.A O no hydrogen 2.949 N/A ASP 59.A N GLY 31.A O no hydrogen 3.089 N/A TYR 60.A OH GLN 34.A OE1 no hydrogen 2.667 N/A LEU 62.A N LEU 33.A O no hydrogen 2.803 N/A LEU 63.A N VAL 94.A O no hydrogen 3.118 N/A PHE 64.A N ILE 35.A O no hydrogen 3.119 N/A ARG 65.A N GLU 97.A O no hydrogen 3.039 N/A ARG 65.A NE GLU 97.A OE1 no hydrogen 2.487 N/A ARG 65.A NH2 GLU 97.A OE1 no hydrogen 2.604 N/A TYR 67.A N MET 38.A O no hydrogen 2.765 N/A GLY 68.A N HIS 100.A ND1 no hydrogen 3.399 N/A SER 71.A OG GLU 103.A O no hydrogen 2.975 N/A SER 71.A OG LEU 104.A O no hydrogen 3.453 N/A LEU 72.A N LEU 104.A O no hydrogen 2.932 N/A LYS 73.A N SER 71.A OG no hydrogen 3.276 N/A PHE 76.A N LEU 72.A O no hydrogen 3.157 N/A ASN 78.A ND2 PRO 52.A O no hydrogen 2.452 N/A THR 80.A N ILE 55.A O no hydrogen 2.907 N/A THR 80.A OG1 ASN 78.A O no hydrogen 3.104 N/A ARG 83.A N ILE 57.A O no hydrogen 2.686 N/A SER 85.A N THR 58.A O no hydrogen 2.894 N/A ARG 86.A N ASP 59.A OD1 no hydrogen 3.158 N/A PHE 88.A N TYR 91.A O no hydrogen 3.046 N/A ALA 92.A N SER 116.A O no hydrogen 3.069 N/A VAL 94.A N LEU 61.A O no hydrogen 2.918 N/A ILE 95.A N ARG 118.A O no hydrogen 3.049 N/A PHE 96.A N LEU 63.A O no hydrogen 3.047 N/A GLU 97.A N GLU 120.A O no hydrogen 3.185 N/A LYS 102.A N GLU 70.A O no hydrogen 2.638 N/A TYR 107.A N GLY 105.A O no hydrogen 2.884 N/A ASN 108.A ND2 PRO 77.A O no hydrogen 3.187 N/A ASN 108.A ND2 ASN 78.A OD1 no hydrogen 3.604 N/A MET 110.A N THR 80.A O no hydrogen 3.143 N/A THR 113.A N ILE 82.A O no hydrogen 3.258 N/A THR 113.A OG1 ASN 111.A OD1 no hydrogen 3.352 N/A SER 116.A OG ASP 142.A O no hydrogen 2.826 N/A VAL 117.A N ASN 143.A OD1 no hydrogen 3.293 N/A ARG 118.A N LEU 93.A O no hydrogen 3.032 N/A ARG 118.A NH1 TYR 91.A OH no hydrogen 3.348 N/A ILE 119.A N TYR 144.A O no hydrogen 2.989 N/A GLU 120.A N ILE 95.A O no hydrogen 3.120 N/A LYS 121.A NZ GLU 120.A OE2 no hydrogen 2.457 N/A ASN 122.A N LEU 147.A O no hydrogen 3.215 N/A CYS 126.A N LYS 102.A O no hydrogen 2.475 N/A CYS 126.A SG GLU 124.A O no hydrogen 4.028 N/A TYR 127.A OH ILE 158.A O no hydrogen 2.198 N/A THR 130.A OG1 THR 130.A O no hydrogen 2.414 N/A THR 130.A OG1 CYS 179.A O no hydrogen 3.002 N/A ILE 131.A N LEU 128.A O no hydrogen 3.229 N/A ASP 132.A N GLN 186.A OE1 no hydrogen 3.160 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.302 N/A ARG 135.A N ASP 132.A OD1 no hydrogen 3.195 N/A ARG 135.A NH2 SER 134.A OG no hydrogen 3.303 N/A ILE 136.A N ASP 132.A O no hydrogen 3.312 N/A ILE 136.A N TRP 133.A O no hydrogen 3.258 N/A LEU 137.A N TRP 133.A O no hydrogen 2.873 N/A SER 139.A OG GLU 141.A OE1 no hydrogen 2.596 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.578 N/A ASN 143.A N VAL 140.A O no hydrogen 3.247 N/A TYR 144.A N VAL 117.A O no hydrogen 3.247 N/A LYS 149.A N ASN 122.A O no hydrogen 2.828 N/A ASP 151.A N ASN 148.A O no hydrogen 3.246 N/A CYS 155.A SG LEU 125.A O no hydrogen 3.626 N/A CYS 155.A SG ASP 150.A OD1 no hydrogen 3.065 N/A ILE 158.A N TYR 127.A OH no hydrogen 3.229 N/A LYS 164.A N GLY 161.A O no hydrogen 2.763 N/A GLY 165.A N THR 162.A O no hydrogen 3.490 N/A LYS 166.A N GLY 161.A O no hydrogen 2.405 N/A LYS 166.A NZ CYS 159.A O no hydrogen 2.946 N/A THR 167.A OG1 ASN 168.A OD1 no hydrogen 2.687 N/A CYS 169.A SG GLU 177.A OE1 no hydrogen 3.387 N/A THR 172.A N VAL 176.A O no hydrogen 2.798 N/A VAL 176.A N THR 172.A O no hydrogen 2.436 N/A CYS 179.A N THR 130.A O no hydrogen 2.653 N/A CYS 179.A N THR 130.A OG1 no hydrogen 2.618 N/A CYS 179.A SG THR 130.A OG1 no hydrogen 2.689 N/A THR 181.A N HIS 184.A O no hydrogen 2.738 N/A THR 181.A OG1 SER 183.A OG no hydrogen 3.229 N/A THR 181.A OG1 HIS 184.A ND1 no hydrogen 3.373 N/A THR 181.A OG1 HIS 184.A O no hydrogen 3.174 N/A SER 183.A N THR 181.A OG1 no hydrogen 3.038 N/A SER 183.A OG THR 181.A OG1 no hydrogen 3.229 N/A SER 183.A OG HIS 184.A ND1 no hydrogen 2.896 N/A HIS 184.A N THR 181.A OG1 no hydrogen 2.761 N/A CYS 185.A SG ASN 168.A O no hydrogen 3.631 N/A GLN 186.A NE2 ASP 132.A O no hydrogen 3.483 N/A CYS 193.A N PRO 190.A O no hydrogen 3.266 N/A CYS 198.A SG THR 199.A O no hydrogen 3.916 N/A THR 199.A N LEU 203.A O no hydrogen 2.994 N/A THR 199.A OG1 GLU 201.A OE1 no hydrogen 2.775 N/A GLU 201.A N THR 199.A OG1 no hydrogen 3.269 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.724 N/A GLY 202.A N THR 199.A O no hydrogen 3.112 N/A CYS 205.A N GLY 197.A O no hydrogen 3.064 N/A CYS 205.A SG HIS 196.A O no hydrogen 3.290 N/A GLU 208.A N HIS 206.A ND1 no hydrogen 3.282 N/A CYS 209.A N HIS 206.A O no hydrogen 3.274 N/A CYS 209.A SG HIS 206.A O no hydrogen 3.917 N/A CYS 209.A SG ASP 218.A O no hydrogen 3.660 N/A LEU 210.A N ALA 224.A O no hydrogen 2.918 N/A ASN 212.A N LEU 210.A O no hydrogen 2.994 N/A CYS 213.A N ASN 212.A OD1 no hydrogen 2.530 N/A SER 214.A N LYS 221.A O no hydrogen 3.485 N/A SER 214.A OG LYS 221.A O no hydrogen 3.085 N/A THR 220.A OG1 ASP 218.A OD1 no hydrogen 3.231 N/A LYS 221.A N ASP 218.A O no hydrogen 3.156 N/A CYS 222.A SG ASP 218.A O no hydrogen 3.536 N/A CYS 222.A SG PRO 219.A O no hydrogen 3.221 N/A ARG 226.A N GLU 208.A O no hydrogen 2.759 N/A TYR 229.A N TRP 248.A O no hydrogen 2.736 N/A ARG 233.A N LEU 230.A O no hydrogen 2.520 N/A CYS 234.A N PRO 219.A O no hydrogen 3.448 N/A CYS 234.A SG ALA 224.A O no hydrogen 3.669 N/A VAL 235.A N PHE 228.A O no hydrogen 3.055 N/A CYS 238.A SG HIS 244.A ND1 no hydrogen 2.921 N/A TYR 242.A N PRO 239.A O no hydrogen 3.022 N/A TYR 243.A N VAL 251.A O no hydrogen 2.824 N/A PHE 245.A N ARG 249.A O no hydrogen 2.681 N/A GLN 246.A NE2 GLN 246.A O no hydrogen 3.483 N/A TRP 248.A N PHE 245.A O no hydrogen 3.342 N/A ARG 249.A N PHE 245.A O no hydrogen 3.167 N/A CYS 250.A N TYR 229.A O no hydrogen 3.181 N/A CYS 250.A SG TYR 229.A O no hydrogen 3.334 N/A VAL 251.A N TYR 243.A O no hydrogen 2.996 N/A PHE 255.A N ASN 252.A OD1 no hydrogen 2.890 N/A GLN 257.A N PHE 253.A O no hydrogen 2.909 N/A ASP 258.A N SER 254.A O no hydrogen 2.896 N/A LEU 259.A N PHE 255.A O no hydrogen 2.906 N/A HIS 260.A N CYS 256.A O no hydrogen 2.917 N/A HIS 261.A N GLN 257.A O no hydrogen 2.898 N/A LYS 262.A N ASP 258.A O no hydrogen 2.898 N/A LYS 262.A NZ ASP 258.A O no hydrogen 3.262 N/A CYS 263.A N LEU 259.A O no hydrogen 2.915 N/A LYS 264.A N HIS 260.A O no hydrogen 2.944 N/A LYS 264.A NZ HIS 261.A ND1 no hydrogen 3.111 N/A SER 266.A N ASN 265.A OD1 no hydrogen 2.963 N/A ARG 267.A NH2 GLN 269.A O no hydrogen 2.490 N/A CYS 271.A SG CYS 263.A O no hydrogen 3.078 N/A CYS 271.A SG ARG 267.A O no hydrogen 3.359 N/A VAL 275.A N ILE 282.A O no hydrogen 3.165 N/A HIS 277.A N LYS 280.A O no hydrogen 2.908 N/A LYS 280.A N HIS 277.A O no hydrogen 2.955 N/A CYS 281.A N HIS 244.A O no hydrogen 3.085 N/A CYS 285.A SG THR 290.A O no hydrogen 3.279 N/A THR 290.A N THR 299.A O no hydrogen 2.905 N/A SER 294.A OG ASN 292.A OD1 no hydrogen 2.234 N/A LEU 296.A N ASN 292.A O no hydrogen 2.649 N/A LEU 297.A N ASN 295.A OD1 no hydrogen 3.204 N/A THR 299.A N LEU 297.A O no hydrogen 2.719 N/A CYS 305.A SG TYR 289.A O no hydrogen 3.599 N/A CYS 309.A N VAL 332.A O no hydrogen 3.223 N/A CYS 309.A SG LYS 307.A O no hydrogen 3.739 N/A GLY 314.A N LEU 311.A O no hydrogen 3.443 N/A GLU 315.A N LEU 312.A O no hydrogen 3.232 N/A LYS 316.A N SER 336.A O no hydrogen 3.378 N/A LYS 316.A NZ SER 323.A O no hydrogen 3.133 N/A ILE 318.A N ILE 338.A O no hydrogen 2.812 N/A SER 320.A OG THR 322.A OG1 no hydrogen 2.870 N/A THR 322.A OG1 SER 320.A OG no hydrogen 2.870 N/A ALA 324.A N SER 320.A O no hydrogen 3.346 N/A GLN 325.A N VAL 321.A O no hydrogen 2.906 N/A GLN 325.A N THR 322.A O no hydrogen 3.092 N/A LEU 327.A N ALA 324.A O no hydrogen 3.059 N/A ARG 328.A N GLN 325.A O no hydrogen 3.061 N/A ARG 328.A NE GLN 325.A OE1 no hydrogen 3.569 N/A ARG 328.A NH2 GLN 325.A OE1 no hydrogen 3.544 N/A CYS 330.A N LEU 327.A O no hydrogen 3.287 N/A CYS 330.A SG LEU 327.A O no hydrogen 3.310 N/A CYS 330.A SG ARG 328.A O no hydrogen 3.972 N/A ILE 333.A N GLU 360.A O no hydrogen 3.146 N/A SER 336.A N GLY 314.A O no hydrogen 3.040 N/A SER 336.A OG TYR 364.A O no hydrogen 2.310 N/A LEU 337.A N TYR 364.A O no hydrogen 3.118 N/A ILE 338.A N LYS 316.A O no hydrogen 2.837 N/A ILE 339.A N LYS 366.A O no hydrogen 2.871 N/A ASN 340.A N ILE 318.A O no hydrogen 2.988 N/A ASN 346.A N ASN 345.A OD1 no hydrogen 2.913 N/A ALA 353.A N ALA 349.A O no hydrogen 2.861 N/A ASN 354.A N GLU 350.A O no hydrogen 2.906 N/A LEU 355.A N LEU 351.A O no hydrogen 2.872 N/A GLY 356.A N GLU 352.A O no hydrogen 2.673 N/A ILE 358.A N LEU 355.A O no hydrogen 3.115 N/A GLU 359.A N THR 331.A O no hydrogen 2.419 N/A ILE 361.A N LEU 384.A O no hydrogen 3.483 N/A SER 362.A N ILE 333.A O no hydrogen 2.989 N/A SER 362.A OG ASN 334.A OD1 no hydrogen 3.434 N/A SER 362.A OG GLY 335.A O no hydrogen 3.097 N/A SER 362.A OG GLU 388.A OE2 no hydrogen 2.911 N/A GLY 363.A N GLY 335.A O no hydrogen 2.598 N/A TYR 364.A N SER 336.A OG no hydrogen 3.343 N/A LEU 365.A N SER 396.A O no hydrogen 3.189 N/A LYS 366.A N LEU 337.A O no hydrogen 3.069 N/A ILE 367.A N TYR 398.A O no hydrogen 2.623 N/A ARG 368.A N ILE 339.A O no hydrogen 3.065 N/A ARG 369.A N LEU 400.A O no hydrogen 2.767 N/A SER 370.A N ASN 402.A OD1 no hydrogen 3.320 N/A SER 370.A OG ILE 341.A O no hydrogen 3.419 N/A ALA 372.A N ILE 341.A O no hydrogen 3.510 N/A SER 375.A OG GLN 407.A O no hydrogen 3.165 N/A LEU 376.A N GLN 407.A O no hydrogen 3.405 N/A SER 377.A N SER 375.A OG no hydrogen 3.244 N/A PHE 379.A N LEU 376.A O no hydrogen 3.309 N/A ARG 380.A NE GLU 352.A OE2 no hydrogen 2.715 N/A ARG 380.A NH2 GLU 352.A OE1 no hydrogen 3.343 N/A ARG 380.A NH2 GLU 352.A OE2 no hydrogen 2.657 N/A LYS 381.A N GLY 356.A O no hydrogen 3.072 N/A ILE 385.A N THR 417.A O no hydrogen 3.102 N/A ARG 386.A N ILE 361.A O no hydrogen 2.966 N/A GLU 388.A N SER 362.A O no hydrogen 2.949 N/A THR 389.A OG1 GLU 388.A OE1 no hydrogen 2.457 N/A THR 389.A OG1 GLU 388.A OE2 no hydrogen 3.311 N/A GLU 391.A N TYR 395.A O no hydrogen 3.481 N/A ASN 394.A N GLU 391.A O no hydrogen 2.960 N/A TYR 395.A OH ASP 453.A OD1 no hydrogen 3.330 N/A SER 396.A N LYS 422.A O no hydrogen 2.842 N/A SER 396.A OG GLN 420.A O no hydrogen 2.247 N/A TYR 398.A N LEU 365.A O no hydrogen 3.130 N/A ALA 399.A N PHE 424.A O no hydrogen 3.168 N/A LEU 400.A N ILE 367.A O no hydrogen 2.943 N/A ASP 401.A N HIS 426.A O no hydrogen 3.195 N/A ARG 406.A N VAL 374.A O no hydrogen 2.965 N/A SER 412.A N ASP 410.A OD1 no hydrogen 2.954 N/A SER 412.A OG ASP 410.A OD1 no hydrogen 2.560 N/A SER 412.A OG ASP 410.A OD2 no hydrogen 3.069 N/A LYS 413.A N ASP 410.A O no hydrogen 3.334 N/A LYS 413.A NZ LYS 413.A O no hydrogen 2.770 N/A HIS 414.A N ASP 410.A O no hydrogen 2.813 N/A HIS 414.A NE2 LEU 382.A O no hydrogen 2.691 N/A THR 417.A N ARG 383.A O no hydrogen 3.193 N/A THR 419.A N ILE 385.A O no hydrogen 3.177 N/A THR 419.A OG1 ILE 385.A O no hydrogen 3.273 N/A THR 419.A OG1 ARG 386.A O no hydrogen 3.413 N/A LYS 422.A N ASN 394.A O no hydrogen 3.080 N/A LEU 423.A N GLN 449.A OE1 no hydrogen 2.457 N/A HIS 426.A N ALA 399.A O no hydrogen 3.250 N/A TYR 427.A N THR 458.A OG1 no hydrogen 3.277 N/A ASN 428.A N ASN 459.A OD1 no hydrogen 3.170 N/A LEU 431.A N ASN 428.A O no hydrogen 3.259 N/A CYS 432.A SG SER 434.A OG no hydrogen 3.162 N/A CYS 432.A SG GLU 435.A OE1 no hydrogen 3.064 N/A CYS 432.A SG GLU 435.A OE2 no hydrogen 3.856 N/A SER 434.A OG GLU 435.A OE1 no hydrogen 2.278 N/A GLU 435.A N GLU 435.A OE1 no hydrogen 2.395 N/A HIS 437.A N LEU 433.A O no hydrogen 2.930 N/A LYS 438.A N SER 434.A O no hydrogen 2.893 N/A MET 439.A N GLU 435.A O no hydrogen 2.884 N/A GLU 440.A N ILE 436.A O no hydrogen 2.944 N/A GLU 441.A N HIS 437.A O no hydrogen 2.970 N/A VAL 442.A N LYS 438.A O no hydrogen 2.865 N/A SER 443.A N MET 439.A O no hydrogen 2.980 N/A SER 443.A OG MET 439.A O no hydrogen 2.322 N/A SER 443.A OG THR 445.A OG1 no hydrogen 2.409 N/A THR 445.A OG1 MET 439.A O no hydrogen 3.536 N/A THR 445.A OG1 SER 443.A OG no hydrogen 2.409 N/A LYS 446.A NZ GLU 440.A OE2 no hydrogen 3.025 N/A ARG 448.A N THR 445.A O no hydrogen 3.089 N/A ARG 448.A NH1 THR 419.A O no hydrogen 2.464 N/A ARG 448.A NH1 GLY 421.A O no hydrogen 3.044 N/A ARG 448.A NH2 ILE 418.A O no hydrogen 2.619 N/A GLN 449.A N THR 445.A O no hydrogen 3.394 N/A GLN 449.A NE2 LEU 423.A O no hydrogen 3.253 N/A GLU 450.A N ASP 453.A OD2 no hydrogen 2.708 N/A ASP 453.A N GLU 450.A O no hydrogen 3.140 N/A ALA 455.A N PHE 425.A O no hydrogen 3.087 N/A ASN 459.A ND2 PHE 425.A O no hydrogen 3.144 N/A ASN 459.A ND2 ALA 455.A O no hydrogen 3.049 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 2.758 N/A ASN 467.A N GLY 561.A O no hydrogen 3.162 N/A GLU 468.A N GLY 561.A O no hydrogen 3.166 N/A SER 473.A N ARG 485.A O no hydrogen 2.880 N/A SER 473.A OG HIS 529.A ND1 no hydrogen 3.155 N/A ARG 476.A N LEU 483.A O no hydrogen 3.289 N/A THR 477.A OG1 SER 478.A O no hydrogen 3.297 N/A THR 477.A OG1 ASP 572.A OD1 no hydrogen 3.231 N/A SER 478.A OG THR 477.A O no hydrogen 2.734 N/A LEU 483.A N ARG 476.A O no hydrogen 3.115 N/A LEU 484.A N TRP 532.A O no hydrogen 2.949 N/A ARG 485.A NH1 HIS 529.A O no hydrogen 2.611 N/A TRP 486.A N PRO 530.A O no hydrogen 3.436 N/A GLU 487.A N LYS 471.A O no hydrogen 3.206 N/A ASP 496.A N ASP 493.A O no hydrogen 3.063 N/A LEU 497.A N PHE 494.A O no hydrogen 3.473 N/A LEU 498.A N LEU 550.A O no hydrogen 3.114 N/A GLY 499.A N LEU 550.A O no hydrogen 3.460 N/A PHE 500.A N ILE 522.A O no hydrogen 2.949 N/A MET 501.A N LYS 548.A O no hydrogen 2.814 N/A LEU 502.A N VAL 520.A O no hydrogen 2.810 N/A PHE 503.A N PHE 546.A O no hydrogen 3.271 N/A TYR 504.A N THR 518.A O no hydrogen 3.257 N/A ALA 507.A N GLN 542.A O no hydrogen 2.881 N/A VAL 512.A N TYR 568.A OH no hydrogen 3.438 N/A THR 518.A N TYR 504.A O no hydrogen 3.190 N/A THR 518.A OG1 TYR 504.A O no hydrogen 2.329 N/A VAL 520.A N LEU 502.A O no hydrogen 2.921 N/A ILE 522.A N PHE 500.A O no hydrogen 3.011 N/A HIS 529.A ND1 SER 473.A OG no hydrogen 3.155 N/A TRP 532.A N LEU 484.A O no hydrogen 3.203 N/A MET 534.A N ILE 482.A O no hydrogen 2.751 N/A TRP 540.A N ASP 572.A O no hydrogen 2.655 N/A THR 541.A N THR 571.A OG1 no hydrogen 2.562 N/A THR 541.A OG1 LYS 538.A O no hydrogen 2.831 N/A THR 541.A OG1 THR 571.A OG1 no hydrogen 3.255 N/A GLN 542.A NE2 ALA 507.A O no hydrogen 3.328 N/A GLN 542.A NE2 PRO 508.A O no hydrogen 3.611 N/A TYR 543.A N VAL 569.A O no hydrogen 2.496 N/A TYR 543.A OH GLU 506.A OE1 no hydrogen 2.671 N/A ALA 544.A N LYS 505.A O no hydrogen 3.367 N/A ILE 545.A N ILE 567.A O no hydrogen 3.117 N/A PHE 546.A N PHE 503.A O no hydrogen 3.313 N/A LYS 548.A N MET 501.A O no hydrogen 2.968 N/A LYS 548.A NZ THR 549.A O no hydrogen 3.216 N/A THR 549.A N ALA 562.A O no hydrogen 3.308 N/A LEU 550.A N GLY 499.A O no hydrogen 2.889 N/A THR 552.A N ASP 496.A O no hydrogen 2.906 N/A ARG 558.A NH1 SER 554.A OG no hydrogen 2.705 N/A ARG 558.A NH1 GLU 556.A O no hydrogen 3.209 N/A ARG 558.A NH2 THR 552.A O no hydrogen 3.052 N/A LYS 563.A NZ SER 564.A O no hydrogen 3.421 N/A SER 564.A N VAL 547.A O no hydrogen 2.888 N/A SER 564.A OG ASP 565.A O no hydrogen 3.052 N/A ILE 567.A N ILE 545.A O no hydrogen 3.265 N/A VAL 569.A N TYR 543.A O no hydrogen 2.707 N/A THR 571.A N THR 541.A O no hydrogen 2.759 N/A THR 571.A OG1 LYS 538.A O no hydrogen 3.168 N/A THR 571.A OG1 THR 541.A O no hydrogen 3.014 N/A THR 571.A OG1 THR 541.A OG1 no hydrogen 3.255 N/A ASP 572.A N SER 478.A O no hydrogen 3.153 N/A SER 577.A N ASP 601.A O no hydrogen 3.100 N/A SER 577.A OG VAL 578.A O no hydrogen 3.522 N/A LEU 580.A N LYS 597.A O no hydrogen 3.367 N/A ILE 583.A N LYS 595.A O no hydrogen 2.918 N/A SER 584.A OG SER 712.A O no hydrogen 3.291 N/A VAL 585.A N ILE 593.A O no hydrogen 2.954 N/A SER 586.A OG ARG 714.A O no hydrogen 3.158 N/A ASN 587.A N GLN 591.A O no hydrogen 3.313 N/A SER 590.A N SER 588.A OG no hydrogen 3.393 N/A SER 590.A OG SER 590.A O no hydrogen 2.436 N/A SER 590.A OG GLN 591.A OE1 no hydrogen 3.456 N/A ILE 593.A N VAL 585.A O no hydrogen 2.783 N/A LEU 594.A N LEU 678.A O no hydrogen 2.798 N/A LYS 595.A N ILE 583.A O no hydrogen 2.876 N/A LYS 595.A NZ LEU 594.A O no hydrogen 2.680 N/A LYS 597.A N LEU 580.A O no hydrogen 2.958 N/A LYS 597.A NZ ASP 581.A OD2 no hydrogen 3.495 N/A SER 600.A OG ASP 601.A OD1 no hydrogen 3.049 N/A ASN 603.A ND2 ASN 575.A O no hydrogen 3.036 N/A THR 607.A OG1 ASN 697.A O no hydrogen 2.269 N/A HIS 608.A N CYS 696.A O no hydrogen 3.408 N/A TYR 609.A N VAL 672.A O no hydrogen 2.831 N/A LEU 610.A N GLN 694.A O no hydrogen 2.834 N/A PHE 612.A N GLU 692.A O no hydrogen 2.526 N/A TRP 613.A NE1 GLU 670.A OE1 no hydrogen 2.745 N/A TRP 613.A NE1 GLU 670.A OE2 no hydrogen 2.847 N/A GLU 614.A N ARG 690.A O no hydrogen 2.871 N/A GLN 616.A N GLY 688.A O no hydrogen 2.820 N/A PHE 623.A N SER 620.A O no hydrogen 3.015 N/A GLU 624.A N GLU 624.A OE1 no hydrogen 2.731 N/A LEU 625.A N GLU 621.A O no hydrogen 3.338 N/A CYS 628.A N ASP 626.A OD1 no hydrogen 2.664 N/A CYS 628.A SG ASP 626.A OD1 no hydrogen 3.773 N/A CYS 628.A SG ASP 626.A OD2 no hydrogen 3.904 N/A SER 636.A N LEU 634.A O no hydrogen 2.744 N/A ARG 637.A N PRO 635.A O no hydrogen 2.870 N/A LEU 643.A N ASP 639.A O no hydrogen 2.683 N/A LYS 644.A N SER 640.A O no hydrogen 2.898 N/A LYS 644.A NZ SER 640.A O no hydrogen 2.876 N/A GLU 645.A N GLN 641.A O no hydrogen 2.904 N/A LEU 646.A N ILE 642.A O no hydrogen 2.910 N/A GLU 647.A N LEU 643.A O no hydrogen 2.905 N/A GLU 648.A N LYS 644.A O no hydrogen 2.906 N/A SER 649.A N GLU 645.A O no hydrogen 2.903 N/A SER 650.A N LEU 646.A O no hydrogen 2.862 N/A PHE 651.A N GLU 647.A O no hydrogen 2.926 N/A ARG 652.A N GLU 648.A O no hydrogen 2.952 N/A LYS 653.A N SER 649.A O no hydrogen 2.855 N/A THR 654.A N SER 650.A O no hydrogen 2.835 N/A THR 654.A OG1 SER 650.A O no hydrogen 2.583 N/A PHE 655.A N PHE 651.A O no hydrogen 3.047 N/A GLU 656.A N ARG 652.A O no hydrogen 2.894 N/A ASP 657.A N LYS 653.A O no hydrogen 2.847 N/A TYR 658.A N THR 654.A O no hydrogen 2.928 N/A LEU 659.A N PHE 655.A O no hydrogen 2.925 N/A HIS 660.A N ASP 657.A O no hydrogen 2.767 N/A HIS 666.A ND1 HIS 666.A O no hydrogen 2.392 N/A ASN 674.A ND2 ASN 674.A O no hydrogen 2.583 N/A LEU 678.A N LEU 594.A O no hydrogen 3.131 N/A LEU 683.A N SER 590.A OG no hydrogen 2.393 N/A HIS 685.A NE2 PRO 748.A O no hydrogen 3.148 N/A THR 687.A N THR 715.A OG1 no hydrogen 3.342 N/A THR 687.A OG1 ARG 684.A O no hydrogen 2.974 N/A THR 687.A OG1 HIS 685.A O no hydrogen 3.227 N/A TYR 689.A N ALA 713.A O no hydrogen 2.960 N/A ARG 690.A N GLU 614.A O no hydrogen 3.000 N/A ILE 691.A N VAL 711.A O no hydrogen 2.701 N/A GLU 692.A N PHE 612.A O no hydrogen 2.434 N/A LEU 693.A N ALA 709.A O no hydrogen 2.786 N/A GLN 694.A N LEU 610.A O no hydrogen 2.611 N/A CYS 696.A SG GLN 698.A O no hydrogen 3.653 N/A ASN 697.A ND2 THR 574.A O no hydrogen 3.317 N/A THR 700.A N ASP 699.A OD1 no hydrogen 2.940 N/A GLU 702.A N THR 700.A O no hydrogen 2.904 N/A GLU 703.A N GLU 703.A OE1 no hydrogen 2.525 N/A ARG 704.A NH1 ASN 697.A OD1 no hydrogen 2.703 N/A ARG 704.A NH1 ARG 704.A O no hydrogen 2.323 N/A ARG 704.A NH2 ALA 573.A O no hydrogen 3.538 N/A SER 706.A N ALA 695.A O no hydrogen 3.179 N/A SER 706.A OG SER 577.A O no hydrogen 3.213 N/A SER 706.A OG VAL 707.A O no hydrogen 2.890 N/A ALA 709.A N LEU 693.A O no hydrogen 2.688 N/A VAL 711.A N ILE 691.A O no hydrogen 2.898 N/A ALA 713.A N TYR 689.A O no hydrogen 3.154 N/A ARG 714.A NH1 GLU 618.A OE2 no hydrogen 2.545 N/A ARG 714.A NH1 PHE 686.A O no hydrogen 3.368 N/A ARG 714.A NH2 GLU 618.A OE2 no hydrogen 3.227 N/A THR 715.A OG1 ARG 684.A O no hydrogen 3.111 N/A MET 716.A N SER 588.A O no hydrogen 3.308 N/A LYS 720.A N GLU 718.A OE2 no hydrogen 3.129 N/A ASP 722.A N ASP 722.A OD1 no hydrogen 2.386 N/A ASP 723.A N LYS 720.A O no hydrogen 2.936 N/A THR 729.A N MET 741.A O no hydrogen 3.060 N/A THR 729.A OG1 MET 741.A O no hydrogen 3.528 N/A GLU 731.A N HIS 739.A O no hydrogen 3.120 N/A VAL 738.A N LEU 784.A O no hydrogen 3.047 N/A HIS 739.A N GLU 731.A O no hydrogen 2.803 N/A LEU 740.A N CYS 782.A O no hydrogen 3.188 N/A MET 741.A N THR 729.A O no hydrogen 3.122 N/A GLU 744.A N GLU 744.A OE1 no hydrogen 2.520 N/A LYS 746.A NZ GLU 744.A OE2 no hydrogen 2.946 N/A ASN 749.A ND2 GLU 718.A O no hydrogen 3.555 N/A VAL 753.A N THR 799.A O no hydrogen 3.145 N/A TYR 755.A N VAL 771.A O no hydrogen 2.925 N/A GLU 756.A N ARG 797.A O no hydrogen 3.017 N/A VAL 757.A N LEU 769.A O no hydrogen 2.678 N/A SER 758.A N ARG 795.A O no hydrogen 2.868 N/A SER 758.A OG ARG 795.A O no hydrogen 2.723 N/A TYR 759.A N LEU 767.A O no hydrogen 2.990 N/A ARG 760.A N SER 793.A O no hydrogen 3.176 N/A ARG 761.A NH2 TYR 762.A OH no hydrogen 3.087 N/A ASP 764.A N ARG 761.A O no hydrogen 2.738 N/A LEU 767.A N TYR 759.A O no hydrogen 2.856 N/A CYS 770.A SG TYR 755.A O no hydrogen 4.004 N/A VAL 771.A N TYR 755.A O no hydrogen 2.685 N/A ARG 773.A NH1 ILE 752.A O no hydrogen 3.522 N/A LYS 774.A NZ GLU 624.A O no hydrogen 2.506 N/A HIS 775.A N SER 772.A OG no hydrogen 3.076 N/A PHE 776.A N SER 772.A O no hydrogen 2.823 N/A ALA 777.A N ARG 773.A O no hydrogen 2.889 N/A LEU 778.A N LYS 774.A O no hydrogen 2.919 N/A GLU 779.A N HIS 775.A O no hydrogen 2.907 N/A GLY 781.A N PHE 776.A O no hydrogen 3.170 N/A LEU 784.A N VAL 738.A O no hydrogen 3.088 N/A LEU 787.A N ASN 736.A OD1 no hydrogen 3.183 N/A TYR 792.A N PHE 813.A O no hydrogen 2.724 N/A TYR 792.A OH SER 788.A O no hydrogen 2.420 N/A SER 793.A N ARG 760.A O no hydrogen 3.272 N/A ARG 795.A N SER 758.A O no hydrogen 2.641 N/A ARG 795.A NE THR 808.A O no hydrogen 2.911 N/A ARG 795.A NH2 THR 808.A O no hydrogen 2.607 N/A ARG 797.A N GLU 756.A O no hydrogen 3.054 N/A ARG 797.A NE GLU 756.A OE2 no hydrogen 2.339 N/A ARG 797.A NH2 GLU 756.A OE2 no hydrogen 2.975 N/A THR 799.A N LEU 754.A O no hydrogen 3.153 N/A THR 799.A OG1 LEU 754.A O no hydrogen 2.391 N/A SER 800.A N GLY 803.A O no hydrogen 3.270 N/A ALA 802.A N SER 800.A OG no hydrogen 3.025 N/A THR 808.A N ILE 796.A O no hydrogen 2.714 N/A THR 811.A OG1 THR 811.A O no hydrogen 2.498 N/A PHE 813.A N TYR 792.A O no hydrogen 2.494 N/A TYR 814.A OH ASP 817.A OD2 no hydrogen 3.213 N/A VAL 815.A N GLY 790.A O no hydrogen 2.839 N/A ASP 817.A N TYR 814.A OH no hydrogen 3.183 N/A