Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sic_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N LYS 5.A O no hydrogen 2.539 N/A LEU 10.A N ILE 6.A O no hydrogen 2.494 N/A HIS 11.A ND1 LEU 9.A O no hydrogen 3.095 N/A LYS 16.A NZ ASP 12.A OD2 no hydrogen 2.797 N/A TRP 18.A N ASN 15.A O no hydrogen 3.106 N/A THR 21.A OG1 ARG 63.A O no hydrogen 2.388 N/A ARG 23.A NE ARG 69.A O no hydrogen 2.803 N/A ARG 23.A NH2 ARG 69.A O no hydrogen 2.664 N/A ASN 43.A N GLU 39.A O no hydrogen 3.241 N/A ALA 44.A N LYS 40.A O no hydrogen 3.025 N/A ASP 45.A N ASP 42.A O no hydrogen 3.088 N/A LYS 46.A N ASP 42.A O no hydrogen 2.993 N/A LYS 46.A NZ ASN 43.A OD1 no hydrogen 3.151 N/A LEU 47.A N ASN 43.A O no hydrogen 2.988 N/A ALA 48.A N ASP 45.A O no hydrogen 3.312 N/A SER 49.A N ASP 52.A OD2 no hydrogen 3.193 N/A ASP 52.A N SER 49.A O no hydrogen 3.402 N/A ARG 53.A NH1 ASP 52.A O no hydrogen 2.996 N/A TYR 54.A N SER 50.A O no hydrogen 3.216 N/A TYR 54.A OH LEU 665.A O no hydrogen 2.503 N/A LEU 55.A N ILE 51.A O no hydrogen 3.500 N/A TYR 60.A OH ASP 45.A OD1 no hydrogen 2.314 N/A LYS 61.A N ILE 58.A O no hydrogen 2.941 N/A GLU 62.A N ILE 58.A O no hydrogen 2.531 N/A ARG 63.A N VAL 59.A O no hydrogen 3.432 N/A SER 70.A N ASN 68.A OD1 no hydrogen 2.657 N/A SER 70.A OG ASN 68.A OD1 no hydrogen 2.848 N/A LYS 74.A N PRO 145.A O no hydrogen 2.999 N/A LYS 74.A NZ ALA 668.A O no hydrogen 3.083 N/A LYS 74.A NZ GLY 669.A O no hydrogen 3.015 N/A ILE 76.A N ASN 75.A OD1 no hydrogen 2.655 N/A SER 79.A OG ASN 75.A O no hydrogen 3.115 N/A ARG 83.A N LEU 73.A O no hydrogen 2.524 N/A LYS 95.A N ASP 92.A O no hydrogen 2.818 N/A LEU 101.A N ASP 97.A O no hydrogen 2.979 N/A GLU 102.A N ASN 98.A O no hydrogen 2.680 N/A TYR 103.A N ILE 100.A O no hydrogen 3.337 N/A LYS 104.A N LEU 101.A O no hydrogen 2.793 N/A LYS 104.A NZ ILE 100.A O no hydrogen 3.377 N/A VAL 109.A N LEU 106.A O no hydrogen 3.210 N/A ILE 110.A N LEU 106.A O no hydrogen 3.238 N/A LYS 118.A NZ ILE 110.A O no hydrogen 3.294 N/A TYR 119.A OH PRO 219.A O no hydrogen 3.095 N/A GLN 120.A NE2 LEU 117.A O no hydrogen 2.484 N/A PHE 122.A N LYS 118.A O no hydrogen 2.850 N/A VAL 129.A N ILE 125.A O no hydrogen 3.182 N/A TRP 130.A N GLU 127.A O no hydrogen 3.088 N/A TRP 130.A NE1 TYR 103.A OH no hydrogen 2.811 N/A ILE 131.A N GLU 127.A O no hydrogen 2.903 N/A SER 133.A N TRP 130.A O no hydrogen 3.122 N/A SER 133.A OG SER 133.A O no hydrogen 2.513 N/A LYS 134.A N ILE 131.A O no hydrogen 3.062 N/A LYS 134.A NZ ASP 132.A O no hydrogen 2.978 N/A ASN 137.A ND2 TYR 820.A O no hydrogen 3.376 N/A SER 140.A N HIS 147.A O no hydrogen 3.065 N/A ARG 143.A NE ASP 141.A OD1 no hydrogen 3.483 N/A ARG 143.A NH1 VAL 59.A O no hydrogen 2.942 N/A ARG 143.A NH1 ASP 141.A OD1 no hydrogen 3.483 N/A THR 146.A N ASN 144.A O no hydrogen 2.876 N/A THR 146.A OG1 ASN 144.A OD1 no hydrogen 2.915 N/A HIS 152.A N THR 148.A O no hydrogen 3.231 N/A HIS 152.A N ILE 149.A O no hydrogen 2.918 N/A HIS 152.A NE2 ASP 45.A OD1 no hydrogen 2.474 N/A LEU 153.A N ILE 149.A O no hydrogen 2.422 N/A TYR 154.A N PHE 150.A O no hydrogen 2.455 N/A THR 156.A N HIS 152.A O no hydrogen 3.036 N/A THR 156.A OG1 ALA 44.A O no hydrogen 3.265 N/A ALA 158.A N TYR 154.A O no hydrogen 3.152 N/A MET 159.A N ALA 155.A O no hydrogen 3.004 N/A ASN 161.A N ALA 158.A O no hydrogen 3.101 N/A TRP 162.A N MET 159.A O no hydrogen 3.108 N/A TRP 162.A NE1 TYR 173.A O no hydrogen 2.861 N/A ILE 163.A N MET 159.A O no hydrogen 3.323 N/A LEU 164.A N MET 160.A O no hydrogen 2.838 N/A LEU 166.A N ILE 163.A O no hydrogen 3.363 N/A LYS 171.A NZ TYR 173.A OH no hydrogen 2.519 N/A LYS 171.A NZ VAL 301.A O no hydrogen 3.267 N/A LYS 171.A NZ GLN 302.A O no hydrogen 2.723 N/A TYR 173.A N LEU 288.A O no hydrogen 2.763 N/A LEU 174.A N VAL 365.A O no hydrogen 2.911 N/A LEU 175.A N LEU 286.A O no hydrogen 2.535 N/A GLY 176.A N LYS 363.A O no hydrogen 3.000 N/A ILE 177.A N ILE 284.A O no hydrogen 2.663 N/A ASP 178.A N ARG 361.A O no hydrogen 2.783 N/A THR 179.A N GLY 282.A O no hydrogen 3.050 N/A THR 179.A OG1 ASN 359.A O no hydrogen 3.044 N/A ILE 180.A N ASN 359.A O no hydrogen 2.979 N/A ILE 186.A N VAL 182.A O no hydrogen 2.977 N/A SER 187.A N ALA 183.A O no hydrogen 2.890 N/A SER 187.A OG ALA 183.A O no hydrogen 3.202 N/A SER 187.A OG ASP 184.A O no hydrogen 2.542 N/A LYS 188.A N PHE 185.A O no hydrogen 3.191 N/A LYS 188.A NZ ASP 184.A O no hydrogen 2.777 N/A ARG 190.A NH2 THR 437.A O no hydrogen 2.967 N/A LYS 191.A NZ MET 476.A O no hydrogen 3.243 N/A LYS 191.A NZ SER 478.A OG no hydrogen 2.918 N/A TRP 196.A N THR 192.A O no hydrogen 3.056 N/A SER 198.A N ASP 194.A O no hydrogen 2.810 N/A SER 198.A OG ILE 186.A O no hydrogen 3.497 N/A SER 198.A OG ASP 194.A O no hydrogen 2.982 N/A SER 198.A OG LEU 195.A O no hydrogen 3.014 N/A SER 199.A N LEU 195.A O no hydrogen 3.476 N/A SER 199.A OG TRP 196.A O no hydrogen 2.343 N/A SER 199.A OG ILE 769.A O no hydrogen 2.905 N/A TYR 200.A N TRP 196.A O no hydrogen 3.311 N/A LEU 201.A N ILE 197.A O no hydrogen 2.608 N/A VAL 202.A N SER 198.A O no hydrogen 3.369 N/A SER 203.A N SER 199.A O no hydrogen 3.331 N/A SER 203.A OG TYR 200.A O no hydrogen 2.955 N/A ALA 204.A N TYR 200.A O no hydrogen 2.623 N/A LEU 206.A N VAL 202.A O no hydrogen 3.404 N/A TRP 207.A N SER 203.A O no hydrogen 2.499 N/A TYR 208.A N ALA 204.A O no hydrogen 2.681 N/A THR 211.A N TYR 208.A O no hydrogen 3.048 N/A THR 211.A OG1 TYR 208.A O no hydrogen 2.502 N/A GLU 215.A N THR 211.A O no hydrogen 3.111 N/A GLU 216.A N PHE 213.A O no hydrogen 2.758 N/A TYR 217.A N PHE 213.A O no hydrogen 2.399 N/A TYR 217.A OH LEU 291.A O no hydrogen 2.372 N/A GLY 218.A N ILE 214.A O no hydrogen 3.244 N/A SER 226.A OG SER 747.A O no hydrogen 3.097 N/A SER 226.A OG ASN 751.A OD1 no hydrogen 2.304 N/A ARG 228.A NH2 ASP 151.A OD1 no hydrogen 2.427 N/A TYR 233.A N ASN 230.A O no hydrogen 2.840 N/A ALA 234.A N ASN 230.A O no hydrogen 3.049 N/A PHE 235.A N PHE 232.A O no hydrogen 3.266 N/A TYR 236.A N PHE 232.A O no hydrogen 2.867 N/A LEU 237.A N TYR 233.A O no hydrogen 3.202 N/A GLU 239.A N PHE 235.A O no hydrogen 3.292 N/A LYS 240.A N TYR 236.A O no hydrogen 3.207 N/A LYS 240.A N LEU 237.A O no hydrogen 3.280 N/A LYS 240.A NZ ILE 116.A O no hydrogen 3.173 N/A LEU 241.A N LEU 237.A O no hydrogen 3.369 N/A ARG 242.A N LEU 238.A O no hydrogen 3.314 N/A LYS 243.A N GLU 239.A O no hydrogen 3.049 N/A LYS 243.A NZ LEU 508.A O no hydrogen 2.564 N/A GLU 244.A N LEU 241.A O no hydrogen 3.051 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.790 N/A ASP 249.A N SER 247.A OG no hydrogen 3.157 N/A VAL 250.A N SER 247.A O no hydrogen 3.275 N/A ASP 252.A N ASP 249.A O no hydrogen 3.172 N/A GLU 253.A N VAL 250.A O no hydrogen 3.348 N/A ILE 254.A N ILE 251.A O no hydrogen 2.815 N/A LYS 255.A N ILE 251.A O no hydrogen 2.414 N/A LYS 255.A NZ GLU 256.A OE2 no hydrogen 3.565 N/A ILE 258.A N ILE 254.A O no hydrogen 3.056 N/A THR 259.A OG1 LYS 255.A O no hydrogen 2.457 N/A TYR 261.A N ILE 258.A O no hydrogen 3.084 N/A TYR 261.A OH ASP 132.A OD1 no hydrogen 2.352 N/A ILE 262.A N ILE 258.A O no hydrogen 2.855 N/A ASN 264.A ND2 LYS 260.A O no hydrogen 2.940 N/A ASN 264.A ND2 TYR 261.A O no hydrogen 2.472 N/A ASN 271.A ND2 ASP 266.A O no hydrogen 3.292 N/A LYS 273.A NZ ASN 271.A O no hydrogen 3.147 N/A TYR 277.A OH MET 569.A O no hydrogen 2.674 N/A ILE 284.A N ILE 177.A O no hydrogen 2.724 N/A THR 285.A N PHE 224.A O no hydrogen 2.894 N/A LEU 286.A N LEU 175.A O no hydrogen 2.485 N/A ILE 287.A N VAL 221.A O no hydrogen 3.233 N/A LEU 288.A N TYR 173.A O no hydrogen 2.662 N/A GLY 290.A N SER 165.A OG no hydrogen 2.598 N/A ILE 292.A N LYS 299.A O no hydrogen 2.648 N/A GLU 294.A N GLU 297.A O no hydrogen 3.070 N/A TYR 298.A OH ASP 3.A OD2 no hydrogen 2.743 N/A TYR 298.A OH GLU 216.A O no hydrogen 3.189 N/A LYS 299.A N ILE 292.A O no hydrogen 2.914 N/A LYS 299.A NZ GLU 294.A OE2 no hydrogen 2.432 N/A CYS 306.A N ASP 303.A O no hydrogen 3.395 N/A SER 309.A OG ASN 305.A O no hydrogen 3.232 N/A VAL 311.A N PHE 307.A O no hydrogen 2.402 N/A GLU 313.A N SER 309.A O no hydrogen 3.284 N/A ARG 314.A NH2 GLY 506.A O no hydrogen 3.234 N/A TYR 315.A N VAL 311.A O no hydrogen 3.054 N/A TYR 315.A OH LEU 358.A O no hydrogen 2.737 N/A ASN 316.A N LYS 312.A O no hydrogen 2.850 N/A GLU 317.A N GLU 313.A O no hydrogen 2.520 N/A GLY 318.A N ARG 314.A O no hydrogen 3.006 N/A TRP 319.A NE1 LEU 353.A O no hydrogen 2.710 N/A ARG 320.A N ASN 316.A O no hydrogen 2.857 N/A ARG 320.A NE GLN 354.A OE1 no hydrogen 3.157 N/A LYS 321.A N GLU 317.A O no hydrogen 3.222 N/A LEU 322.A N GLY 318.A O no hydrogen 2.606 N/A ILE 323.A N TRP 319.A O no hydrogen 3.187 N/A ILE 323.A N ARG 320.A O no hydrogen 3.162 N/A GLU 324.A N ARG 320.A O no hydrogen 2.944 N/A GLY 325.A N LYS 321.A O no hydrogen 3.484 N/A LEU 326.A N LEU 322.A O no hydrogen 3.256 N/A ARG 327.A N ILE 323.A O no hydrogen 2.830 N/A CYS 328.A N GLY 325.A O no hydrogen 3.100 N/A CYS 328.A SG GLU 324.A O no hydrogen 3.313 N/A CYS 328.A SG GLU 512.A OE2 no hydrogen 3.489 N/A TYR 329.A N GLY 325.A O no hydrogen 3.391 N/A SER 330.A OG ARG 327.A O no hydrogen 3.548 N/A GLU 331.A N CYS 328.A O no hydrogen 2.846 N/A ARG 332.A N CYS 328.A O no hydrogen 2.520 N/A LYS 333.A N TYR 329.A O no hydrogen 2.842 N/A LYS 333.A NZ VAL 519.A O no hydrogen 2.613 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.743 N/A ASP 336.A N LYS 333.A O no hydrogen 3.228 N/A CYS 343.A N TRP 339.A O no hydrogen 2.792 N/A CYS 343.A SG GLU 331.A OE1 no hydrogen 3.188 N/A ARG 344.A N LEU 341.A O no hydrogen 3.259 N/A VAL 345.A N LEU 341.A O no hydrogen 3.335 N/A LEU 346.A N VAL 342.A O no hydrogen 3.345 N/A LYS 347.A N CYS 343.A O no hydrogen 3.330 N/A LEU 348.A N ARG 344.A O no hydrogen 3.157 N/A LEU 348.A N VAL 345.A O no hydrogen 2.834 N/A THR 349.A N VAL 345.A O no hydrogen 2.701 N/A THR 349.A OG1 VAL 345.A O no hydrogen 3.230 N/A THR 349.A OG1 THR 349.A O no hydrogen 2.510 N/A GLU 350.A N LEU 348.A O no hydrogen 3.228 N/A THR 356.A OG1 LEU 358.A O no hydrogen 2.636 N/A LEU 358.A N THR 356.A OG1 no hydrogen 3.232 N/A ARG 361.A N ASP 178.A O no hydrogen 2.418 N/A ARG 361.A NE SER 400.A O no hydrogen 2.733 N/A ARG 361.A NH1 ILE 180.A O no hydrogen 3.490 N/A ARG 361.A NH2 VAL 403.A O no hydrogen 2.461 N/A LYS 363.A N GLY 176.A O no hydrogen 2.974 N/A LYS 363.A NZ GLU 396.A O no hydrogen 2.924 N/A LYS 363.A NZ SER 400.A OG no hydrogen 3.377 N/A GLN 364.A NE2 ASP 304.A O no hydrogen 3.014 N/A VAL 365.A N LEU 174.A O no hydrogen 3.081 N/A VAL 367.A N GLY 172.A O no hydrogen 2.907 N/A PHE 373.A N GLU 369.A O no hydrogen 3.118 N/A ASN 374.A N LYS 377.A O no hydrogen 3.136 N/A ASN 375.A N ASN 374.A OD1 no hydrogen 2.552 N/A ARG 379.A NH2 PHE 373.A O no hydrogen 2.858 N/A SER 380.A OG GLU 725.A OE2 no hydrogen 3.159 N/A LYS 389.A N ILE 385.A O no hydrogen 2.504 N/A TYR 390.A N TYR 386.A O no hydrogen 3.096 N/A ARG 391.A N ASP 387.A O no hydrogen 2.572 N/A GLN 392.A N ASN 388.A O no hydrogen 2.454 N/A LEU 393.A N LYS 389.A O no hydrogen 2.687 N/A VAL 394.A N TYR 390.A O no hydrogen 2.873 N/A SER 395.A N ARG 391.A O no hydrogen 3.398 N/A GLU 396.A N GLN 392.A O no hydrogen 3.233 N/A PHE 397.A N LEU 393.A O no hydrogen 3.086 N/A LYS 398.A N VAL 394.A O no hydrogen 2.448 N/A LYS 399.A N SER 395.A O no hydrogen 2.574 N/A SER 400.A N GLU 396.A O no hydrogen 3.104 N/A SER 400.A OG GLU 396.A O no hydrogen 2.985 N/A THR 406.A OG1 GLU 408.A OE1 no hydrogen 3.495 N/A GLU 408.A N GLU 408.A OE1 no hydrogen 2.754 N/A SER 409.A N THR 406.A O no hydrogen 2.978 N/A SER 409.A OG THR 406.A O no hydrogen 2.358 N/A LEU 411.A N GLU 408.A O no hydrogen 3.409 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.588 N/A THR 417.A N PHE 414.A O no hydrogen 3.136 N/A THR 417.A OG1 LEU 413.A O no hydrogen 2.971 N/A THR 417.A OG1 PHE 414.A O no hydrogen 3.089 N/A LYS 418.A N PHE 414.A O no hydrogen 2.697 N/A PHE 419.A N GLU 415.A O no hydrogen 3.198 N/A LYS 421.A N PHE 419.A O no hydrogen 2.728 N/A LYS 421.A NZ GLU 415.A O no hydrogen 2.443 N/A ILE 425.A N VAL 445.A O no hydrogen 2.684 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.807 N/A SER 429.A N GLN 424.A OE1 no hydrogen 3.392 N/A SER 429.A OG GLU 434.A OE2 no hydrogen 2.589 N/A ARG 431.A N SER 429.A OG no hydrogen 3.111 N/A ARG 431.A NE GLU 434.A OE2 no hydrogen 3.546 N/A ARG 431.A NH2 GLU 434.A OE1 no hydrogen 2.354 N/A CYS 436.A N LEU 442.A O no hydrogen 2.523 N/A CYS 436.A SG LEU 442.A O no hydrogen 3.264 N/A THR 437.A N ARG 482.A O no hydrogen 2.788 N/A THR 437.A OG1 ARG 482.A O no hydrogen 2.632 N/A ALA 444.A N GLU 434.A O no hydrogen 2.623 N/A VAL 445.A N LEU 483.A O no hydrogen 3.159 N/A ILE 447.A N ILE 425.A O no hydrogen 2.812 N/A LYS 450.A NZ LYS 450.A O no hydrogen 2.077 N/A GLU 453.A N GLU 451.A O no hydrogen 2.921 N/A LEU 454.A N GLU 451.A OE2 no hydrogen 2.918 N/A LYS 456.A N GLU 453.A O no hydrogen 2.882 N/A LYS 457.A N GLU 453.A O no hydrogen 3.265 N/A LEU 458.A N LEU 454.A O no hydrogen 3.407 N/A ILE 459.A N LYS 456.A O no hydrogen 3.319 N/A LEU 461.A N LEU 458.A O no hydrogen 3.423 N/A GLY 462.A N ILE 459.A O no hydrogen 3.098 N/A ARG 465.A NE ASP 469.A OD2 no hydrogen 2.633 N/A ARG 465.A NH2 ARG 334.A O no hydrogen 3.056 N/A ARG 465.A NH2 ASP 469.A OD2 no hydrogen 3.235 N/A LYS 468.A NZ ASP 466.A OD2 no hydrogen 2.452 N/A VAL 470.A N GLU 467.A O no hydrogen 3.200 N/A ARG 471.A NH1 GLU 467.A O no hydrogen 2.646 N/A SER 472.A OG ASP 469.A O no hydrogen 2.646 N/A ILE 473.A N ASP 469.A O no hydrogen 3.148 N/A LYS 474.A N VAL 470.A O no hydrogen 2.423 N/A ILE 477.A N ILE 473.A O no hydrogen 3.004 N/A GLU 481.A N SER 478.A O no hydrogen 3.449 N/A ARG 482.A N THR 437.A OG1 no hydrogen 3.285 N/A CYS 487.A SG SER 438.A OG no hydrogen 3.378 N/A LEU 488.A N CYS 484.A O no hydrogen 3.113 N/A VAL 489.A N PRO 485.A O no hydrogen 3.146 N/A LYS 490.A N TRP 486.A O no hydrogen 3.264 N/A ARG 491.A N CYS 487.A O no hydrogen 2.587 N/A ARG 491.A NH1 MET 476.A O no hydrogen 2.733 N/A ALA 492.A N LEU 488.A O no hydrogen 3.303 N/A LEU 493.A N VAL 489.A O no hydrogen 2.726 N/A GLY 494.A N LYS 490.A O no hydrogen 2.756 N/A GLU 496.A N ALA 492.A O no hydrogen 3.474 N/A LEU 499.A N GLU 496.A O no hydrogen 3.215 N/A ARG 501.A N ARG 498.A O no hydrogen 3.341 N/A ILE 502.A N LEU 499.A O no hydrogen 3.346 N/A LEU 504.A N MET 500.A O no hydrogen 2.607 N/A LEU 505.A N ARG 501.A O no hydrogen 3.203 N/A GLY 506.A N LEU 503.A O no hydrogen 3.211 N/A ASP 507.A N ILE 502.A O no hydrogen 3.281 N/A GLU 512.A N SER 510.A OG no hydrogen 3.262 N/A LYS 513.A N SER 510.A OG no hydrogen 2.960 N/A ASN 516.A N GLU 512.A O no hydrogen 3.122 N/A GLU 517.A N ILE 514.A O no hydrogen 3.366 N/A ILE 518.A N VAL 515.A O no hydrogen 3.208 N/A VAL 519.A N VAL 515.A O no hydrogen 2.936 N/A SER 520.A N GLU 517.A O no hydrogen 3.339 N/A SER 520.A OG GLU 517.A O no hydrogen 2.325 N/A SER 529.A N ASP 532.A OD2 no hydrogen 2.437 N/A SER 529.A OG SER 531.A OG no hydrogen 3.082 N/A SER 529.A OG ASP 586.A OD1 no hydrogen 3.378 N/A THR 530.A OG1 TYR 838.A O no hydrogen 3.205 N/A SER 531.A OG SER 529.A OG no hydrogen 3.082 N/A SER 531.A OG ASP 586.A OD1 no hydrogen 3.512 N/A ASP 532.A N SER 529.A OG no hydrogen 3.101 N/A ILE 533.A N SER 529.A O no hydrogen 3.395 N/A ALA 534.A N THR 530.A O no hydrogen 3.107 N/A SER 535.A N ASP 532.A O no hydrogen 3.191 N/A SER 535.A OG SER 531.A O no hydrogen 2.501 N/A SER 535.A OG ASP 532.A O no hydrogen 3.506 N/A PHE 539.A N SER 535.A O no hydrogen 3.292 N/A GLU 540.A N ILE 536.A O no hydrogen 2.610 N/A GLU 541.A N THR 538.A O no hydrogen 3.247 N/A MET 542.A N THR 538.A O no hydrogen 3.035 N/A ILE 543.A N PHE 539.A O no hydrogen 3.273 N/A LYS 545.A N GLU 541.A O no hydrogen 2.916 N/A LYS 545.A NZ HIS 607.A O no hydrogen 2.308 N/A LYS 546.A NZ ASN 579.A O no hydrogen 2.466 N/A CYS 550.A N ASN 547.A O no hydrogen 3.077 N/A LYS 554.A NZ CYS 559.A O no hydrogen 2.976 N/A GLU 556.A N LEU 553.A O no hydrogen 3.464 N/A SER 568.A N ASN 574.A OD1 no hydrogen 2.777 N/A SER 568.A OG GLU 526.A O no hydrogen 2.639 N/A TRP 570.A N SER 568.A OG no hydrogen 3.214 N/A TRP 572.A NE1 GLU 540.A OE2 no hydrogen 2.599 N/A ASN 574.A N TRP 570.A O no hydrogen 3.015 N/A ASN 574.A ND2 SER 568.A O no hydrogen 2.535 N/A LYS 575.A N TRP 572.A O no hydrogen 3.499 N/A ASN 576.A N PHE 573.A O no hydrogen 3.019 N/A ASN 582.A ND2 GLU 557.A O no hydrogen 2.459 N/A GLU 588.A N ASP 586.A O no hydrogen 2.843 N/A TYR 590.A OH GLU 557.A OE2 no hydrogen 3.209 N/A SER 593.A OG GLU 589.A O no hydrogen 3.093 N/A ARG 597.A NE SER 593.A O no hydrogen 3.395 N/A PHE 601.A N ARG 597.A O no hydrogen 3.015 N/A SER 602.A N ARG 598.A O no hydrogen 2.952 N/A SER 602.A OG ARG 598.A O no hydrogen 3.261 N/A VAL 603.A N TYR 599.A O no hydrogen 3.242 N/A VAL 603.A N TYR 600.A O no hydrogen 3.078 N/A PHE 604.A N TYR 600.A O no hydrogen 3.157 N/A ARG 605.A N PHE 601.A O no hydrogen 3.410 N/A ARG 605.A NE PHE 601.A O no hydrogen 2.808 N/A ARG 605.A NH2 SER 602.A OG no hydrogen 3.071 N/A HIS 607.A N PHE 604.A O no hydrogen 3.325 N/A ARG 608.A N PHE 604.A O no hydrogen 2.707 N/A ILE 609.A N PHE 604.A O no hydrogen 3.417 N/A SER 613.A OG GLY 1007.A O no hydrogen 2.792 N/A TYR 615.A N SER 613.A O no hydrogen 2.786 N/A TYR 616.A N ALA 836.A O no hydrogen 2.951 N/A ALA 617.A N LEU 780.A O no hydrogen 3.222 N/A LEU 618.A N ILE 834.A O no hydrogen 2.874 N/A VAL 619.A N ALA 778.A O no hydrogen 2.830 N/A ARG 620.A N SER 832.A O no hydrogen 3.027 N/A ARG 620.A NE SER 849.A OG no hydrogen 2.746 N/A ALA 621.A N LEU 776.A O no hydrogen 3.179 N/A ASP 622.A N SER 830.A O no hydrogen 3.221 N/A ASP 624.A N GLY 828.A O no hydrogen 3.002 N/A LEU 630.A N LEU 626.A O no hydrogen 2.990 N/A GLU 631.A N GLY 627.A O no hydrogen 2.525 N/A LYS 633.A N ASP 628.A O no hydrogen 2.411 N/A LEU 634.A N TYR 647.A OH no hydrogen 2.477 N/A THR 635.A OG1 ASP 628.A OD2 no hydrogen 2.348 N/A TYR 637.A OH LEU 77.A O no hydrogen 3.029 N/A LEU 638.A N THR 635.A O no hydrogen 3.032 N/A ILE 641.A N LEU 638.A O no hydrogen 2.889 N/A ILE 642.A N LEU 638.A O no hydrogen 3.110 N/A ASP 646.A N ASP 643.A O no hydrogen 3.213 N/A TYR 647.A N SER 644.A O no hydrogen 3.267 N/A GLU 655.A N GLU 655.A OE1 no hydrogen 2.788 N/A LEU 660.A N VAL 657.A O no hydrogen 2.909 N/A LEU 661.A N VAL 657.A O no hydrogen 3.315 N/A GLU 663.A N LYS 659.A O no hydrogen 3.180 N/A TYR 664.A N LEU 660.A O no hydrogen 3.178 N/A LEU 665.A N LEU 661.A O no hydrogen 3.085 N/A VAL 666.A N GLU 662.A O no hydrogen 3.244 N/A ALA 668.A N LEU 665.A O no hydrogen 3.159 N/A VAL 674.A N GLY 671.A O no hydrogen 3.234 N/A TYR 676.A N ILE 673.A O no hydrogen 3.326 N/A LYS 678.A N ASP 675.A O no hydrogen 3.393 N/A LYS 678.A NZ ASP 675.A OD1 no hydrogen 3.247 N/A LYS 682.A NZ GLU 662.A OE2 no hydrogen 2.385 N/A CYS 683.A SG THR 679.A O no hydrogen 3.418 N/A CYS 683.A SG VAL 680.A O no hydrogen 3.552 N/A CYS 683.A SG CYS 693.A O no hydrogen 3.523 N/A ILE 684.A N LYS 682.A O no hydrogen 3.058 N/A ASN 689.A ND2 ILE 684.A O no hydrogen 2.355 N/A CYS 693.A SG CYS 683.A O no hydrogen 3.563 N/A CYS 693.A SG LYS 690.A O no hydrogen 4.004 N/A TYR 698.A N GLU 695.A O no hydrogen 3.102 N/A SER 699.A OG LYS 696.A O no hydrogen 3.486 N/A VAL 702.A N TYR 698.A O no hydrogen 2.962 N/A ALA 703.A N ASN 700.A O no hydrogen 3.423 N/A VAL 705.A N VAL 702.A O no hydrogen 3.461 N/A ASN 710.A ND2 ASN 710.A O no hydrogen 2.758 N/A GLU 717.A N GLU 718.A OE1 no hydrogen 2.859 N/A LYS 721.A N GLU 718.A O no hydrogen 3.309 N/A ASN 722.A N GLU 718.A O no hydrogen 3.038 N/A GLU 725.A N LYS 721.A O no hydrogen 2.834 N/A PHE 727.A N SER 723.A O no hydrogen 3.351 N/A GLU 728.A N LEU 724.A O no hydrogen 2.743 N/A THR 729.A N GLU 725.A O no hydrogen 3.132 N/A THR 729.A N TYR 726.A O no hydrogen 3.139 N/A THR 729.A OG1 GLU 725.A O no hydrogen 3.307 N/A ILE 730.A N TYR 726.A O no hydrogen 3.186 N/A ASN 732.A N GLU 728.A O no hydrogen 3.406 N/A GLU 733.A N THR 729.A O no hydrogen 2.856 N/A ILE 736.A N GLY 632.A O no hydrogen 2.642 N/A ALA 741.A N ALA 48.A O no hydrogen 3.001 N/A TRP 742.A N THR 739.A O no hydrogen 3.259 N/A TRP 742.A NE1 LEU 629.A O no hydrogen 2.988 N/A VAL 744.A N PRO 740.A O no hydrogen 3.411 N/A SER 745.A N ALA 741.A O no hydrogen 3.048 N/A ILE 746.A N TRP 742.A O no hydrogen 3.289 N/A SER 747.A N HIS 743.A O no hydrogen 2.927 N/A SER 747.A OG LEU 223.A O no hydrogen 3.228 N/A SER 747.A OG HIS 743.A O no hydrogen 2.697 N/A SER 747.A OG VAL 744.A O no hydrogen 3.410 N/A SER 748.A N VAL 744.A O no hydrogen 3.093 N/A SER 748.A OG ASP 151.A OD1 no hydrogen 3.329 N/A SER 748.A OG VAL 744.A O no hydrogen 2.878 N/A SER 748.A OG SER 745.A O no hydrogen 2.858 N/A ALA 749.A N SER 745.A O no hydrogen 3.344 N/A LEU 750.A N ILE 746.A O no hydrogen 2.609 N/A ASN 751.A N SER 747.A O no hydrogen 2.870 N/A ASN 751.A ND2 ASN 230.A OD1 no hydrogen 2.866 N/A ARG 752.A N SER 748.A O no hydrogen 2.950 N/A ARG 752.A NH2 SER 748.A OG no hydrogen 3.233 N/A GLY 753.A N ALA 749.A O no hydrogen 2.622 N/A LEU 754.A N LEU 750.A O no hydrogen 2.667 N/A LEU 755.A N ASN 751.A O no hydrogen 3.315 N/A VAL 756.A N ARG 752.A O no hydrogen 3.117 N/A GLU 757.A N GLY 753.A O no hydrogen 3.257 N/A GLU 757.A N LEU 754.A O no hydrogen 2.927 N/A LEU 758.A N LEU 754.A O no hydrogen 2.996 N/A GLU 759.A N LEU 755.A O no hydrogen 3.178 N/A GLU 759.A N VAL 756.A O no hydrogen 3.220 N/A LEU 760.A N VAL 756.A O no hydrogen 2.800 N/A VAL 761.A N GLU 757.A O no hydrogen 3.219 N/A LYS 763.A N GLU 759.A O no hydrogen 2.889 N/A LYS 763.A NZ GLU 802.A OE2 no hydrogen 3.394 N/A HIS 764.A N LEU 760.A O no hydrogen 3.473 N/A HIS 764.A ND1 GLU 784.A OE1 no hydrogen 3.085 N/A GLY 766.A N VAL 761.A O no hydrogen 2.854 N/A ILE 769.A N LEU 777.A O no hydrogen 3.000 N/A TYR 770.A N LEU 777.A O no hydrogen 2.923 N/A GLY 773.A N ASP 775.A O no hydrogen 2.925 N/A LEU 777.A N TYR 770.A O no hydrogen 2.605 N/A ALA 778.A N VAL 619.A O no hydrogen 2.760 N/A MET 779.A N PHE 767.A O no hydrogen 2.896 N/A ILE 789.A N VAL 785.A O no hydrogen 2.908 N/A LYS 790.A N LEU 786.A O no hydrogen 2.660 N/A GLU 791.A N ASP 787.A O no hydrogen 2.970 N/A SER 792.A N PHE 788.A O no hydrogen 2.365 N/A SER 792.A OG GLU 757.A OE2 no hydrogen 3.262 N/A SER 792.A OG PHE 788.A O no hydrogen 2.487 N/A ARG 793.A N ILE 789.A O no hydrogen 3.184 N/A ARG 794.A N LYS 790.A O no hydrogen 3.334 N/A ARG 794.A NE ILE 907.A O no hydrogen 3.513 N/A ARG 794.A NH2 SER 909.A OG no hydrogen 2.782 N/A ALA 795.A N SER 792.A O no hydrogen 3.028 N/A PHE 796.A N SER 792.A O no hydrogen 2.731 N/A ALA 797.A N ARG 793.A O no hydrogen 3.201 N/A GLY 798.A N ARG 794.A O no hydrogen 3.083 N/A CYS 808.A N ARG 815.A O no hydrogen 2.558 N/A GLY 812.A N GLY 798.A O no hydrogen 3.053 N/A PHE 813.A N GLU 810.A O no hydrogen 3.435 N/A VAL 814.A N TYR 821.A O no hydrogen 2.553 N/A ARG 815.A N CYS 808.A O no hydrogen 2.448 N/A ILE 816.A N ALA 819.A O no hydrogen 3.265 N/A ASN 818.A ND2 LYS 134.A O no hydrogen 2.731 N/A TYR 821.A N ALA 819.A O no hydrogen 2.905 N/A SER 823.A OG ALA 797.A O no hydrogen 2.474 N/A ARG 829.A NH1 GLU 757.A OE1 no hydrogen 2.938 N/A SER 830.A N ASP 622.A O no hydrogen 3.144 N/A SER 830.A OG ASP 624.A OD1 no hydrogen 2.561 N/A SER 830.A OG ASP 624.A OD2 no hydrogen 2.941 N/A TYR 831.A N VAL 877.A O no hydrogen 2.993 N/A SER 832.A N ARG 620.A O no hydrogen 3.127 N/A SER 832.A OG SER 849.A O no hydrogen 2.983 N/A SER 832.A OG SER 849.A OG no hydrogen 3.028 N/A VAL 833.A N ILE 879.A O no hydrogen 2.615 N/A ILE 834.A N LEU 618.A O no hydrogen 2.956 N/A ILE 835.A N ARG 881.A O no hydrogen 2.771 N/A ALA 836.A N TYR 616.A O no hydrogen 3.389 N/A ALA 839.A N HIS 837.A ND1 no hydrogen 3.000 N/A PHE 844.A N PRO 841.A O no hydrogen 3.181 N/A ILE 846.A N LEU 842.A O no hydrogen 3.321 N/A ASN 847.A N PHE 843.A O no hydrogen 3.166 N/A ASP 848.A N PHE 844.A O no hydrogen 2.828 N/A SER 849.A OG SER 832.A OG no hydrogen 3.028 N/A TYR 850.A N ASN 847.A O no hydrogen 3.123 N/A ASN 851.A N ASN 847.A O no hydrogen 2.877 N/A LEU 853.A N TYR 850.A O no hydrogen 3.086 N/A GLU 854.A N TYR 850.A O no hydrogen 3.058 N/A GLY 856.A N LEU 852.A O no hydrogen 3.333 N/A LYS 857.A N LEU 853.A O no hydrogen 3.015 N/A LYS 857.A NZ ASP 622.A OD2 no hydrogen 2.793 N/A GLU 858.A N GLU 855.A O no hydrogen 3.335 N/A ILE 859.A N GLU 855.A O no hydrogen 3.189 N/A ARG 861.A N THR 981.A O no hydrogen 2.899 N/A ARG 861.A NH2 GLU 983.A OE1 no hydrogen 2.896 N/A TYR 862.A OH LYS 875.A O no hydrogen 2.402 N/A ARG 863.A N ARG 979.A O no hydrogen 3.362 N/A VAL 864.A N LYS 871.A O no hydrogen 2.407 N/A TYR 866.A N GLU 869.A O no hydrogen 2.786 N/A GLU 869.A N TYR 866.A O no hydrogen 3.136 N/A GLU 869.A N GLU 869.A OE1 no hydrogen 2.840 N/A LYS 871.A N VAL 864.A O no hydrogen 2.741 N/A LYS 871.A NZ GLU 869.A OE2 no hydrogen 3.301 N/A ALA 873.A N TYR 862.A O no hydrogen 2.966 N/A LYS 874.A NZ GLU 858.A O no hydrogen 2.442 N/A LYS 875.A NZ LYS 857.A O no hydrogen 3.450 N/A ALA 878.A N ILE 889.A O no hydrogen 2.892 N/A ILE 879.A N TYR 831.A O no hydrogen 2.856 N/A PHE 880.A N SER 887.A O no hydrogen 2.691 N/A ARG 881.A N VAL 833.A O no hydrogen 2.794 N/A TYR 882.A N LEU 885.A O no hydrogen 3.096 N/A TYR 882.A OH GLY 1006.A O no hydrogen 3.325 N/A THR 886.A OG1 GLY 884.A O no hydrogen 3.202 N/A SER 887.A N PHE 880.A O no hydrogen 3.195 N/A SER 887.A OG TYR 999.A O no hydrogen 3.134 N/A LYS 894.A N SER 892.A OG no hydrogen 3.279 N/A LYS 894.A NZ ASP 903.A OD1 no hydrogen 3.091 N/A LYS 894.A NZ ASP 903.A OD2 no hydrogen 3.235 N/A ARG 895.A NE ALA 639.A O no hydrogen 2.943 N/A ARG 895.A NH2 SER 892.A OG no hydrogen 2.406 N/A ARG 895.A NH2 LYS 894.A O no hydrogen 2.548 N/A SER 899.A N ASP 903.A OD2 no hydrogen 3.343 N/A ASP 903.A N SER 900.A O no hydrogen 3.412 N/A ASN 905.A ND2 ASN 905.A O no hydrogen 2.931 N/A GLU 906.A N ASP 903.A O no hydrogen 3.391 N/A ILE 907.A N PHE 904.A O no hydrogen 3.393 N/A ALA 908.A N LEU 891.A O no hydrogen 3.093 N/A SER 909.A OG ASN 905.A O no hydrogen 2.837 N/A ILE 914.A N ILE 910.A O no hydrogen 3.368 N/A LEU 915.A N ILE 911.A O no hydrogen 2.919 N/A GLU 916.A N ASP 912.A O no hydrogen 2.583 N/A LEU 917.A N VAL 913.A O no hydrogen 2.885 N/A LYS 918.A N ILE 914.A O no hydrogen 2.844 N/A LYS 919.A N LEU 915.A O no hydrogen 2.601 N/A ARG 920.A N GLU 916.A O no hydrogen 3.078 N/A ARG 920.A N LEU 917.A O no hydrogen 3.151 N/A ARG 920.A NH1 GLU 916.A O no hydrogen 3.497 N/A GLY 924.A N ILE 921.A O no hydrogen 3.163 N/A ILE 926.A N ARG 920.A O no hydrogen 2.627 N/A SER 929.A OG SER 929.A O no hydrogen 2.502 N/A SER 929.A OG ASP 933.A OD2 no hydrogen 3.476 N/A ASP 933.A N SER 929.A O no hydrogen 3.280 N/A TYR 934.A OH SER 995.A OG no hydrogen 3.213 N/A LYS 936.A NZ GLU 935.A OE2 no hydrogen 3.253 N/A TYR 937.A N TYR 934.A O no hydrogen 2.651 N/A ILE 941.A N TYR 937.A O no hydrogen 3.286 N/A VAL 942.A N LYS 938.A O no hydrogen 2.992 N/A SER 944.A N LEU 940.A O no hydrogen 2.564 N/A SER 944.A OG THR 950.A OG1 no hydrogen 2.575 N/A GLU 946.A N ASP 945.A OD1 no hydrogen 2.636 N/A LEU 949.A N GLU 946.A O no hydrogen 3.419 N/A THR 950.A OG1 SER 944.A OG no hydrogen 2.575 N/A VAL 954.A N THR 950.A O no hydrogen 2.991 N/A LYS 955.A N GLU 951.A O no hydrogen 3.085 N/A ASP 956.A N PHE 952.A O no hydrogen 2.486 N/A TRP 957.A NE1 LEU 930.A O no hydrogen 2.771 N/A ILE 958.A N VAL 954.A O no hydrogen 3.209 N/A LYS 959.A N LYS 955.A O no hydrogen 2.829 N/A ARG 960.A N ASP 956.A O no hydrogen 2.664 N/A ASN 961.A ND2 ASP 933.A OD2 no hydrogen 2.482 N/A SER 962.A OG ILE 958.A O no hydrogen 2.300 N/A SER 962.A OG LYS 959.A O no hydrogen 3.176 N/A LEU 963.A N ARG 925.A O no hydrogen 3.260 N/A LYS 965.A NZ SER 962.A O no hydrogen 2.386 N/A LYS 965.A NZ LEU 963.A O no hydrogen 3.479 N/A GLU 973.A N GLU 973.A OE1 no hydrogen 2.749 N/A LYS 974.A N ASP 972.A OD2 no hydrogen 3.062 N/A LYS 974.A NZ ASP 972.A OD1 no hydrogen 3.189 N/A LEU 975.A N ASP 972.A O no hydrogen 3.296 N/A ARG 979.A NH1 VAL 978.A O no hydrogen 3.354 N/A LEU 980.A N ASN 991.A O no hydrogen 3.106 N/A THR 981.A N ARG 861.A O no hydrogen 2.570 N/A GLU 983.A N GLU 983.A OE1 no hydrogen 2.758 N/A SER 995.A OG TYR 934.A OH no hydrogen 3.213 N/A SER 995.A OG ASP 992.A OD1 no hydrogen 2.970 N/A ASN 996.A N ASP 992.A O no hydrogen 3.356 N/A ILE 997.A N LEU 993.A O no hydrogen 2.636 N/A VAL 998.A N ILE 994.A O no hydrogen 2.962 N/A TYR 999.A N SER 995.A O no hydrogen 2.697 N/A THR 1000.A N ASN 996.A O no hydrogen 3.055 N/A THR 1000.A N ILE 997.A O no hydrogen 3.211 N/A THR 1000.A OG1 ASN 996.A O no hydrogen 2.519 N/A LEU 1001.A N ILE 997.A O no hydrogen 3.325 N/A ARG 1002.A N VAL 998.A O no hydrogen 3.043 N/A ILE 1003.A N THR 1000.A O no hydrogen 3.019 N/A ILE 1004.A N THR 1000.A O no hydrogen 3.223 N/A GLY 1006.A N ARG 1002.A O no hydrogen 3.224 N/A GLY 1007.A N ILE 1004.A O no hydrogen 2.875 N/A GLU 1008.A N ILE 1004.A O no hydrogen 3.011 N/A LYS 1009.A N SER 613.A OG no hydrogen 2.689 N/A