Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aoi_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ARG 871.A O no hydrogen 3.286 N/A PHE 6.A N ILE 873.A O no hydrogen 3.345 N/A ARG 8.A N ASP 878.A OD1 no hydrogen 3.252 N/A ARG 8.A N ASP 878.A OD2 no hydrogen 3.166 N/A GLU 20.A N PRO 17.A O no hydrogen 2.670 N/A VAL 23.A N THR 19.A O no hydrogen 3.197 N/A GLU 24.A N GLU 20.A O no hydrogen 3.091 N/A SER 25.A N ILE 21.A O no hydrogen 3.380 N/A SER 25.A OG THR 329.A OG1 no hydrogen 2.600 N/A TYR 26.A N GLN 22.A O no hydrogen 3.065 N/A TYR 26.A N VAL 23.A O no hydrogen 3.019 N/A ARG 27.A N VAL 23.A O no hydrogen 3.142 N/A ARG 27.A NH1 GLU 24.A OE2 no hydrogen 3.088 N/A ARG 28.A N GLU 24.A O no hydrogen 2.898 N/A ARG 28.A NH1 GLU 457.A OE2 no hydrogen 2.997 N/A ALA 29.A N SER 25.A O no hydrogen 2.966 N/A LEU 30.A N TYR 26.A O no hydrogen 2.902 N/A GLN 31.A N GLU 40.A OE2 no hydrogen 2.609 N/A GLN 31.A NE2 GLN 31.A O no hydrogen 2.466 N/A GLU 40.A N GLN 31.A OE1 no hydrogen 3.155 N/A ASN 41.A ND2 GLU 40.A O no hydrogen 3.559 N/A ILE 44.A N ALA 29.A O no hydrogen 2.771 N/A GLN 45.A NE2 GLU 40.A O no hydrogen 2.577 N/A ALA 46.A N VAL 42.A O no hydrogen 2.836 N/A ALA 47.A N GLY 43.A O no hydrogen 2.971 N/A PHE 48.A N ILE 44.A O no hydrogen 2.841 N/A ARG 49.A N GLN 45.A O no hydrogen 2.971 N/A GLU 50.A N ALA 46.A O no hydrogen 2.908 N/A ILE 54.A N LEU 60.A O no hydrogen 3.081 N/A LEU 60.A N ILE 54.A O no hydrogen 3.430 N/A ASP 61.A N GLN 93.A O no hydrogen 2.725 N/A LEU 63.A N ARG 91.A O no hydrogen 3.050 N/A TYR 65.A OH GLN 31.A O no hydrogen 2.277 N/A ARG 66.A N TYR 89.A O no hydrogen 3.104 N/A CYS 77.A N PRO 73.A O no hydrogen 2.884 N/A ARG 78.A N GLN 74.A O no hydrogen 3.154 N/A ARG 78.A N ASP 75.A O no hydrogen 2.721 N/A GLU 79.A N ASP 75.A O no hydrogen 2.863 N/A LYS 80.A N GLU 76.A O no hydrogen 2.948 N/A ASP 81.A N ARG 78.A O no hydrogen 3.467 N/A THR 83.A OG1 ILE 122.A O no hydrogen 3.562 N/A TYR 84.A N ILE 122.A O no hydrogen 3.024 N/A ALA 86.A N ILE 112.A O no hydrogen 2.400 N/A LEU 88.A N GLY 110.A O no hydrogen 3.333 N/A TYR 89.A N ARG 66.A O no hydrogen 3.156 N/A ARG 91.A N GLU 64.A O no hydrogen 2.900 N/A LEU 92.A N ASP 105.A O no hydrogen 3.110 N/A GLN 93.A N ASP 61.A O no hydrogen 3.017 N/A LEU 94.A N LYS 103.A O no hydrogen 2.639 N/A ILE 95.A N VAL 59.A O no hydrogen 2.542 N/A HIS 96.A N LEU 101.A O no hydrogen 3.181 N/A THR 99.A N LYS 97.A O no hydrogen 2.608 N/A LEU 101.A N ASP 98.A O no hydrogen 2.744 N/A LYS 103.A N LEU 94.A O no hydrogen 2.797 N/A ASP 105.A N LEU 92.A O no hydrogen 3.278 N/A LEU 109.A N LEU 88.A O no hydrogen 2.953 N/A HIS 111.A N GLU 373.A OE1 no hydrogen 2.636 N/A HIS 111.A N GLU 373.A OE2 no hydrogen 2.985 N/A ILE 112.A N ALA 86.A O no hydrogen 2.949 N/A LEU 114.A N TYR 84.A O no hydrogen 2.972 N/A THR 116.A N SER 120.A O no hydrogen 2.912 N/A THR 116.A OG1 SER 120.A O no hydrogen 2.342 N/A SER 120.A OG PHE 121.A O no hydrogen 3.369 N/A SER 120.A OG ARG 128.A O no hydrogen 3.033 N/A PHE 121.A N ARG 128.A O no hydrogen 2.931 N/A ILE 123.A N ALA 126.A O no hydrogen 3.101 N/A ARG 128.A N PHE 121.A O no hydrogen 2.895 N/A ARG 128.A NH1 PHE 380.A O no hydrogen 2.968 N/A VAL 129.A N GLN 387.A O no hydrogen 2.950 N/A GLN 133.A NE2 LEU 407.A O no hydrogen 3.677 N/A ILE 134.A N SER 405.A O no hydrogen 3.232 N/A SER 137.A N ASN 324.A O no hydrogen 3.184 N/A SER 137.A OG TYR 141.A OH no hydrogen 2.763 N/A TYR 141.A N SER 155.A O no hydrogen 2.987 N/A TYR 141.A OH SER 137.A O no hydrogen 2.318 N/A PHE 142.A N ASP 317.A OD2 no hydrogen 3.422 N/A THR 143.A N ILE 153.A O no hydrogen 3.129 N/A THR 143.A OG1 PRO 144.A O no hydrogen 3.446 N/A ARG 148.A NH2 VAL 170.A O no hydrogen 3.569 N/A ILE 153.A N THR 143.A O no hydrogen 2.923 N/A ALA 154.A N LEU 168.A O no hydrogen 2.751 N/A SER 155.A N TYR 141.A O no hydrogen 2.757 N/A ILE 156.A N ILE 166.A O no hydrogen 2.674 N/A ILE 157.A N GLY 139.A O no hydrogen 2.934 N/A GLY 163.A N PRO 160.A O no hydrogen 2.963 N/A ILE 166.A N ILE 156.A O no hydrogen 3.222 N/A LEU 168.A N ALA 154.A O no hydrogen 2.674 N/A GLU 169.A N SER 177.A O no hydrogen 2.387 N/A GLU 171.A N VAL 175.A O no hydrogen 3.403 N/A SER 177.A OG GLU 169.A OE1 no hydrogen 2.678 N/A MET 178.A N PHE 185.A O no hydrogen 3.431 N/A LYS 184.A NZ GLU 169.A OE1 no hydrogen 3.368 N/A ARG 192.A N VAL 188.A O no hydrogen 2.830 N/A ARG 192.A NH2 ASP 197.A OD2 no hydrogen 3.172 N/A VAL 193.A N LEU 189.A O no hydrogen 3.301 N/A LEU 194.A N LEU 190.A O no hydrogen 2.928 N/A LEU 194.A N LEU 191.A O no hydrogen 3.065 N/A GLY 195.A N LEU 191.A O no hydrogen 3.000 N/A TYR 196.A N LEU 191.A O no hydrogen 3.047 N/A TYR 196.A OH ASP 294.A O no hydrogen 3.127 N/A GLN 198.A NE2 MET 216.A O no hydrogen 3.446 N/A GLN 198.A NE2 GLU 218.A O no hydrogen 3.039 N/A GLU 199.A N ASP 197.A OD1 no hydrogen 3.196 N/A LEU 201.A N ASP 197.A O no hydrogen 2.765 N/A ALA 202.A N GLN 198.A O no hydrogen 3.023 N/A ARG 203.A N GLU 199.A O no hydrogen 3.151 N/A GLU 204.A N THR 200.A O no hydrogen 3.300 N/A LEU 205.A N LEU 201.A O no hydrogen 2.929 N/A GLY 206.A N ALA 202.A O no hydrogen 2.604 N/A GLY 209.A N GLY 206.A O no hydrogen 3.195 N/A GLN 213.A NE2 GLU 210.A OE1 no hydrogen 2.830 N/A GLY 214.A N LEU 211.A O no hydrogen 2.269 N/A LEU 215.A N VAL 212.A O no hydrogen 2.551 N/A MET 216.A N VAL 212.A O no hydrogen 3.262 N/A SER 219.A OG ASP 217.A O no hydrogen 3.517 N/A PHE 221.A N GLU 218.A OE1 no hydrogen 3.224 N/A ALA 228.A N PRO 225.A O no hydrogen 3.175 N/A LEU 229.A N GLU 226.A O no hydrogen 2.578 N/A ARG 231.A N GLU 227.A O no hydrogen 2.804 N/A LEU 232.A N ALA 228.A O no hydrogen 2.999 N/A PHE 233.A N LEU 229.A O no hydrogen 3.276 N/A THR 234.A N ILE 230.A O no hydrogen 3.127 N/A THR 234.A OG1 ILE 230.A O no hydrogen 2.981 N/A LEU 235.A N ARG 231.A O no hydrogen 3.366 N/A LEU 236.A N PHE 233.A O no hydrogen 2.880 N/A ARG 244.A NH2 GLU 226.A OE2 no hydrogen 3.412 N/A ALA 249.A N LYS 246.A O no hydrogen 2.394 N/A TYR 250.A N LYS 246.A O no hydrogen 2.572 N/A VAL 251.A N ALA 247.A O no hydrogen 2.707 N/A GLY 253.A N TYR 250.A O no hydrogen 3.184 N/A ALA 266.A N ASP 262.A O no hydrogen 3.364 N/A TYR 269.A OH THR 483.A OG1 no hydrogen 2.966 N/A LYS 270.A NZ PRO 138.A O no hydrogen 2.343 N/A LYS 270.A NZ ALA 266.A O no hydrogen 2.465 N/A ALA 271.A N GLY 267.A O no hydrogen 3.209 N/A LYS 274.A NZ GLY 323.A O no hydrogen 3.490 N/A LEU 275.A N ALA 271.A O no hydrogen 3.062 N/A ALA 285.A N THR 283.A O no hydrogen 2.271 N/A LYS 293.A N ARG 286.A O no hydrogen 3.324 N/A LYS 293.A NZ SER 280.A OG no hydrogen 2.719 N/A THR 300.A N VAL 296.A O no hydrogen 3.256 N/A THR 300.A OG1 PHE 297.A O no hydrogen 2.344 N/A LEU 301.A N PHE 297.A O no hydrogen 3.339 N/A ARG 302.A N LEU 298.A O no hydrogen 2.497 N/A TYR 303.A N THR 300.A O no hydrogen 3.344 N/A TYR 303.A OH LYS 274.A O no hydrogen 3.237 N/A LEU 304.A N THR 300.A O no hydrogen 3.172 N/A PHE 305.A N LEU 301.A O no hydrogen 2.970 N/A LEU 307.A N TYR 303.A O no hydrogen 2.667 N/A THR 308.A N LEU 304.A O no hydrogen 2.945 N/A THR 308.A OG1 LEU 304.A O no hydrogen 2.736 N/A ALA 309.A N ALA 306.A O no hydrogen 3.076 N/A ASP 317.A N PHE 142.A O no hydrogen 3.398 N/A HIS 321.A N ASP 318.A O no hydrogen 2.850 N/A HIS 321.A NE2 ASP 486.A OD1 no hydrogen 3.222 N/A GLY 323.A N HIS 321.A ND1 no hydrogen 2.948 N/A ASN 324.A N HIS 321.A O no hydrogen 2.812 N/A ASN 324.A ND2 ASP 318.A O no hydrogen 3.547 N/A ARG 325.A N LEU 322.A O no hydrogen 2.972 N/A ARG 326.A N HIS 135.A O no hydrogen 3.341 N/A ARG 326.A NE GLU 332.A OE2 no hydrogen 3.275 N/A ARG 328.A N GLN 133.A O no hydrogen 2.662 N/A ARG 328.A NE GLU 332.A OE1 no hydrogen 2.802 N/A ARG 328.A NH1 GLN 133.A OE1 no hydrogen 3.171 N/A THR 329.A OG1 SER 25.A OG no hydrogen 2.600 N/A GLY 331.A N SER 25.A OG no hydrogen 2.722 N/A LEU 333.A N THR 329.A O no hydrogen 3.029 N/A MET 334.A N VAL 330.A O no hydrogen 2.754 N/A THR 335.A N GLY 331.A O no hydrogen 2.589 N/A ASP 336.A N GLU 332.A O no hydrogen 2.817 N/A GLN 337.A N LEU 333.A O no hydrogen 3.375 N/A PHE 338.A N MET 334.A O no hydrogen 2.769 N/A ARG 339.A N THR 335.A O no hydrogen 2.846 N/A VAL 340.A N ASP 336.A O no hydrogen 3.191 N/A VAL 340.A N GLN 337.A O no hydrogen 2.935 N/A GLY 341.A N GLN 337.A O no hydrogen 2.940 N/A LEU 342.A N PHE 338.A O no hydrogen 2.772 N/A ALA 343.A N ARG 339.A O no hydrogen 2.819 N/A ARG 344.A N VAL 340.A O no hydrogen 2.832 N/A LEU 345.A N GLY 341.A O no hydrogen 2.742 N/A ALA 346.A N LEU 342.A O no hydrogen 2.880 N/A ARG 347.A N ALA 343.A O no hydrogen 2.863 N/A VAL 349.A N LEU 345.A O no hydrogen 3.243 N/A ARG 352.A N GLY 348.A O no hydrogen 2.894 N/A ARG 352.A NE LYS 365.A O no hydrogen 2.975 N/A ARG 352.A NH2 ALA 364.A O no hydrogen 3.436 N/A MET 353.A N ARG 350.A O no hydrogen 3.229 N/A LEU 361.A N GLU 358.A O no hydrogen 2.834 N/A LEU 366.A N PRO 363.A O no hydrogen 2.815 N/A VAL 367.A N PRO 363.A O no hydrogen 2.887 N/A VAL 367.A N ALA 364.A O no hydrogen 2.850 N/A SER 369.A OG PHE 108.A O no hydrogen 2.299 N/A GLU 373.A N SER 369.A O no hydrogen 3.237 N/A ALA 374.A N ARG 370.A O no hydrogen 3.330 N/A ALA 375.A N PRO 371.A O no hydrogen 2.970 N/A ILE 376.A N LEU 372.A O no hydrogen 2.957 N/A ARG 377.A N GLU 373.A O no hydrogen 2.788 N/A GLU 378.A N ALA 374.A O no hydrogen 2.949 N/A PHE 379.A N ALA 375.A O no hydrogen 3.329 N/A PHE 380.A N ILE 376.A O no hydrogen 3.263 N/A SER 381.A N ARG 377.A O no hydrogen 3.062 N/A SER 381.A OG ARG 377.A O no hydrogen 2.614 N/A ARG 382.A N GLU 378.A O no hydrogen 2.586 N/A SER 383.A N GLU 378.A O no hydrogen 3.187 N/A SER 383.A N PHE 379.A O no hydrogen 3.030 N/A LEU 385.A N SER 383.A OG no hydrogen 3.422 N/A SER 386.A N SER 383.A O no hydrogen 3.364 N/A SER 386.A OG PHE 379.A O no hydrogen 3.265 N/A GLN 387.A N VAL 129.A O no hydrogen 3.085 N/A LYS 389.A N ASP 127.A O no hydrogen 3.333 N/A THR 392.A OG1 ASP 390.A OD2 no hydrogen 3.295 N/A ASN 393.A ND2 GLN 559.A O no hydrogen 3.157 N/A ASN 393.A ND2 ALA 562.A O no hydrogen 2.537 N/A SER 396.A N ASN 393.A OD1 no hydrogen 3.061 N/A SER 396.A OG ASP 390.A O no hydrogen 3.294 N/A SER 396.A OG THR 560.A O no hydrogen 2.677 N/A SER 397.A N ASN 393.A O no hydrogen 3.376 N/A SER 397.A OG PRO 394.A O no hydrogen 2.756 N/A LEU 398.A N PRO 394.A O no hydrogen 2.917 N/A ARG 399.A N LEU 395.A O no hydrogen 2.888 N/A ARG 399.A NH1 ASN 557.A OD1 no hydrogen 3.294 N/A HIS 400.A N SER 396.A O no hydrogen 3.035 N/A LYS 401.A N LEU 398.A O no hydrogen 3.133 N/A ARG 402.A N ARG 399.A O no hydrogen 2.497 N/A ILE 404.A N THR 447.A O no hydrogen 2.550 N/A SER 405.A N SER 132.A O no hydrogen 3.304 N/A THR 413.A OG1 ARG 414.A O no hydrogen 3.302 N/A ARG 422.A N GLY 418.A O no hydrogen 2.613 N/A ARG 422.A NH1 ILE 443.A O no hydrogen 3.039 N/A HIS 428.A N HIS 425.A O no hydrogen 2.864 N/A ARG 431.A N HIS 428.A O no hydrogen 2.975 N/A ARG 431.A NE ILE 461.A O no hydrogen 3.159 N/A ARG 431.A NH1 THR 427.A O no hydrogen 3.417 N/A ARG 431.A NH2 MET 480.A O no hydrogen 3.531 N/A ILE 432.A N HIS 428.A O no hydrogen 2.794 N/A CYS 433.A N SER 448.A O no hydrogen 3.372 N/A CYS 433.A SG THR 538.A OG1 no hydrogen 2.939 N/A GLY 444.A N THR 437.A OG1 no hydrogen 2.455 N/A THR 447.A N ILE 404.A O no hydrogen 2.674 N/A THR 447.A OG1 SER 448.A O no hydrogen 3.008 N/A SER 448.A OG GLU 436.A OE1 no hydrogen 2.598 N/A ALA 451.A N PHE 534.A O no hydrogen 2.879 N/A ARG 454.A N ARG 462.A O no hydrogen 3.373 N/A LEU 458.A N ASP 456.A OD1 no hydrogen 3.465 N/A GLY 459.A N ASP 456.A O no hydrogen 3.509 N/A ARG 462.A N ARG 454.A O no hydrogen 3.291 N/A THR 463.A N MET 480.A O no hydrogen 3.207 N/A THR 463.A OG1 GLY 430.A O no hydrogen 3.325 N/A TYR 465.A N VAL 478.A O no hydrogen 3.162 N/A TYR 465.A OH GLU 485.A OE1 no hydrogen 3.382 N/A TYR 465.A OH GLU 485.A OE2 no hydrogen 2.887 N/A ARG 466.A N MET 526.A O no hydrogen 2.482 N/A VAL 468.A N GLU 524.A O no hydrogen 2.949 N/A VAL 469.A N VAL 472.A O no hydrogen 3.029 N/A VAL 472.A N VAL 469.A O no hydrogen 3.163 N/A VAL 473.A N ASN 500.A O no hydrogen 2.475 N/A THR 474.A OG1 ARG 467.A O no hydrogen 2.974 N/A VAL 478.A N TYR 465.A O no hydrogen 3.345 N/A MET 480.A N THR 463.A O no hydrogen 2.946 N/A THR 483.A OG1 TYR 269.A OH no hydrogen 2.966 N/A GLU 485.A N THR 481.A O no hydrogen 3.152 N/A ASP 486.A N THR 483.A O no hydrogen 3.227 N/A TYR 488.A N GLU 485.A O no hydrogen 3.416 N/A THR 489.A N GLU 524.A OE2 no hydrogen 3.054 N/A ALA 491.A N PHE 525.A O no hydrogen 2.705 N/A THR 495.A OG1 GLN 492.A O no hydrogen 2.500 N/A GLU 498.A N ARG 501.A O no hydrogen 2.990 N/A ASN 500.A ND2 VAL 473.A O no hydrogen 2.922 N/A ILE 502.A N GLY 471.A O no hydrogen 2.995 N/A VAL 507.A N VAL 518.A O no hydrogen 3.376 N/A ALA 509.A N VAL 516.A O no hydrogen 3.102 N/A ARG 510.A N ILE 490.A O no hydrogen 2.670 N/A ARG 511.A N GLU 514.A O no hydrogen 3.024 N/A ARG 511.A NH2 GLU 522.A OE1 no hydrogen 3.403 N/A VAL 516.A N ALA 509.A O no hydrogen 2.970 N/A SER 519.A OG GLU 521.A OE1 no hydrogen 3.411 N/A GLU 521.A N SER 519.A OG no hydrogen 3.153 N/A GLU 522.A N SER 519.A O no hydrogen 2.813 N/A GLU 524.A N THR 489.A O no hydrogen 3.295 N/A PHE 525.A N THR 489.A O no hydrogen 3.422 N/A MET 526.A N ARG 466.A O no hydrogen 2.697 N/A ASP 527.A N ALA 491.A O no hydrogen 2.802 N/A SER 529.A N GLN 532.A OE1 no hydrogen 2.801 N/A LYS 531.A N SER 529.A OG no hydrogen 3.137 N/A LYS 531.A NZ SER 529.A OG no hydrogen 2.921 N/A GLN 532.A NE2 PRO 464.A O no hydrogen 2.765 N/A VAL 533.A N PRO 530.A O no hydrogen 3.103 N/A PHE 534.A N LYS 531.A O no hydrogen 2.810 N/A SER 535.A OG GLU 436.A OE2 no hydrogen 3.491 N/A ASN 537.A N SER 535.A OG no hydrogen 3.157 N/A ASN 537.A ND2 GLU 436.A OE1 no hydrogen 3.083 N/A ASN 537.A ND2 GLU 436.A OE2 no hydrogen 2.665 N/A THR 538.A OG1 SER 556.A OG no hydrogen 3.226 N/A ASN 539.A N SER 535.A O no hydrogen 2.646 N/A ASN 539.A ND2 LYS 531.A O no hydrogen 3.058 N/A ASN 539.A ND2 SER 535.A O no hydrogen 3.341 N/A ILE 541.A N THR 538.A O no hydrogen 2.931 N/A HIS 546.A N PHE 543.A O no hydrogen 2.951 N/A ASP 547.A N LEU 544.A O no hydrogen 2.836 N/A ASP 548.A N MET 851.A O no hydrogen 2.725 N/A ASN 550.A ND2 GLU 439.A OE1 no hydrogen 3.290 N/A ARG 551.A N ASP 548.A OD2 no hydrogen 2.957 N/A ALA 552.A N ASP 548.A O no hydrogen 2.995 N/A LEU 553.A N ALA 549.A O no hydrogen 3.195 N/A GLY 555.A N ARG 551.A O no hydrogen 2.924 N/A SER 556.A N ALA 552.A O no hydrogen 2.795 N/A SER 556.A OG THR 538.A OG1 no hydrogen 3.226 N/A SER 556.A OG ALA 552.A O no hydrogen 3.419 N/A ASN 557.A N LEU 553.A O no hydrogen 2.866 N/A ASN 557.A ND2 GLU 436.A O no hydrogen 3.492 N/A ASN 557.A ND2 THR 437.A O no hydrogen 3.640 N/A ASN 557.A ND2 LEU 553.A O no hydrogen 3.299 N/A MET 558.A N MET 554.A O no hydrogen 2.958 N/A GLN 559.A N SER 556.A O no hydrogen 3.067 N/A THR 560.A N ASN 557.A O no hydrogen 2.968 N/A GLN 561.A N MET 558.A O no hydrogen 2.918 N/A ALA 562.A N GLN 559.A O no hydrogen 3.045 N/A VAL 563.A N LYS 967.A O no hydrogen 3.315 N/A ILE 566.A N THR 695.A O no hydrogen 3.186 N/A VAL 572.A N ASN 665.A OD1 no hydrogen 3.211 N/A MET 574.A N TYR 872.A O no hydrogen 2.621 N/A THR 575.A N GLU 578.A OE1 no hydrogen 3.473 N/A THR 575.A OG1 ASN 539.A O no hydrogen 3.092 N/A THR 575.A OG1 GLU 578.A OE1 no hydrogen 3.399 N/A THR 575.A OG1 GLU 578.A OE2 no hydrogen 2.463 N/A GLY 576.A N GLU 578.A OE2 no hydrogen 2.418 N/A LEU 577.A N GLU 578.A OE2 no hydrogen 2.817 N/A ARG 580.A NH1 LEU 15.A O no hydrogen 3.187 N/A ARG 580.A NH1 ASP 584.A OD2 no hydrogen 3.136 N/A ARG 580.A NH2 LEU 15.A O no hydrogen 2.472 N/A VAL 581.A N LEU 577.A O no hydrogen 2.853 N/A VAL 582.A N GLU 578.A O no hydrogen 3.400 N/A ARG 583.A N GLU 579.A O no hydrogen 3.103 N/A ASP 584.A N ARG 580.A O no hydrogen 2.756 N/A SER 585.A N VAL 581.A O no hydrogen 3.092 N/A SER 585.A OG VAL 581.A O no hydrogen 2.403 N/A SER 585.A OG VAL 582.A O no hydrogen 2.720 N/A LEU 589.A N ALA 650.A O no hydrogen 3.176 N/A ALA 591.A N ASP 647.A O no hydrogen 3.068 N/A GLU 592.A N TYR 609.A OH no hydrogen 3.174 N/A GLY 595.A N VAL 643.A O no hydrogen 3.346 N/A GLU 596.A N ARG 608.A O no hydrogen 2.797 N/A VAL 597.A N GLN 641.A O no hydrogen 3.137 N/A ALA 598.A N VAL 606.A O no hydrogen 2.752 N/A LYS 599.A N VAL 606.A O no hydrogen 2.938 N/A ASN 603.A ND2 GLY 602.A O no hydrogen 3.067 N/A ILE 605.A N TYR 617.A O no hydrogen 2.845 N/A VAL 606.A N LYS 599.A O no hydrogen 2.910 N/A VAL 607.A N VAL 615.A O no hydrogen 3.005 N/A ARG 608.A N GLU 596.A O no hydrogen 2.781 N/A TYR 609.A N ARG 613.A O no hydrogen 2.713 N/A TYR 609.A OH GLU 592.A OE2 no hydrogen 2.710 N/A GLU 610.A N ASP 594.A O no hydrogen 3.472 N/A VAL 615.A N VAL 607.A O no hydrogen 2.925 N/A TYR 617.A N ILE 605.A O no hydrogen 2.807 N/A TYR 617.A OH TYR 609.A OH no hydrogen 2.564 N/A LEU 619.A N ASN 603.A O no hydrogen 2.986 N/A ARG 621.A NH2 ASN 603.A OD1 no hydrogen 2.570 N/A ARG 624.A NE ILE 699.A O no hydrogen 3.097 N/A ARG 624.A NH1 SER 625.A O no hydrogen 2.891 N/A SER 625.A N THR 629.A O no hydrogen 3.266 N/A SER 625.A OG THR 629.A OG1 no hydrogen 2.874 N/A ASN 626.A ND2 ASP 127.A O no hydrogen 3.444 N/A ASN 626.A ND2 LYS 389.A O no hydrogen 3.689 N/A GLN 627.A N SER 625.A OG no hydrogen 2.859 N/A GLY 628.A N SER 625.A O no hydrogen 2.951 N/A THR 629.A N SER 625.A OG no hydrogen 3.108 N/A THR 629.A OG1 THR 392.A O no hydrogen 3.323 N/A THR 629.A OG1 SER 625.A OG no hydrogen 2.874 N/A GLN 633.A N ARG 620.A O no hydrogen 3.380 N/A ARG 634.A N ASP 651.A O no hydrogen 3.340 N/A ARG 636.A N LEU 649.A O no hydrogen 2.859 N/A VAL 638.A N GLN 641.A OE1 no hydrogen 3.275 N/A VAL 643.A N GLY 595.A O no hydrogen 3.132 N/A GLY 646.A N ALA 591.A O no hydrogen 2.680 N/A LEU 649.A N LEU 589.A O no hydrogen 2.717 N/A ASP 651.A N ARG 634.A O no hydrogen 3.151 N/A GLY 652.A N SER 655.A OG no hydrogen 3.093 N/A ASN 657.A N ASP 651.A OD2 no hydrogen 2.820 N/A GLY 658.A N ASP 651.A OD1 no hydrogen 2.966 N/A GLN 664.A N TYR 694.A OH no hydrogen 2.924 N/A GLN 664.A N ILE 965.A O no hydrogen 3.122 N/A GLN 664.A NE2 ARG 567.A O no hydrogen 2.631 N/A ASN 665.A ND2 ALA 570.A O no hydrogen 2.657 N/A VAL 666.A N MET 963.A O no hydrogen 3.241 N/A LEU 667.A N ASP 839.A OD1 no hydrogen 2.543 N/A VAL 668.A N GLY 961.A O no hydrogen 2.776 N/A ALA 669.A N VAL 840.A O no hydrogen 3.009 N/A ILE 670.A N VAL 959.A O no hydrogen 3.073 N/A PHE 673.A N ASN 677.A OD1 no hydrogen 2.864 N/A ILE 682.A N VAL 819.A O no hydrogen 2.881 N/A ILE 684.A N LYS 822.A O no hydrogen 2.980 N/A SER 685.A N ASP 839.A O no hydrogen 3.018 N/A GLU 686.A N LEU 824.A O no hydrogen 2.499 N/A LEU 688.A N SER 685.A O no hydrogen 2.529 N/A LEU 689.A N GLU 686.A O no hydrogen 2.741 N/A LYS 690.A N GLU 686.A O no hydrogen 3.164 N/A ARG 691.A NE GLU 687.A O no hydrogen 3.458 N/A ASP 692.A N LEU 689.A O no hydrogen 3.240 N/A PHE 693.A N LEU 688.A O no hydrogen 3.151 N/A TYR 694.A OH GLN 664.A O no hydrogen 2.713 N/A TYR 694.A OH ILE 965.A O no hydrogen 2.777 N/A SER 696.A N ARG 802.A O no hydrogen 3.031 N/A HIS 698.A N GLN 800.A O no hydrogen 3.121 N/A GLU 700.A N VAL 798.A O no hydrogen 2.728 N/A TYR 702.A N VAL 796.A O no hydrogen 3.267 N/A ILE 704.A N VAL 794.A O no hydrogen 3.221 N/A ALA 706.A N GLU 792.A O no hydrogen 3.244 N/A THR 709.A OG1 GLY 712.A O no hydrogen 3.026 N/A LEU 711.A N THR 709.A OG1 no hydrogen 3.067 N/A GLY 712.A N THR 709.A O no hydrogen 3.093 N/A GLU 714.A N ARG 707.A O no hydrogen 3.254 N/A ARG 718.A NH1 ASP 732.A O no hydrogen 3.246 N/A ARG 718.A NH1 ASP 732.A OD1 no hydrogen 3.565 N/A ARG 718.A NH2 GLU 725.A OE2 no hydrogen 3.360 N/A LEU 723.A N ILE 720.A O no hydrogen 3.160 N/A LEU 728.A N GLU 725.A O no hydrogen 3.140 N/A ASP 732.A N ASP 730.A O no hydrogen 2.796 N/A ARG 738.A N ASP 730.A O no hydrogen 3.011 N/A GLY 740.A N VAL 771.A O no hydrogen 2.904 N/A ALA 741.A N ARG 738.A O no hydrogen 3.280 N/A VAL 743.A N GLY 769.A O no hydrogen 2.746 N/A LYS 744.A N ASP 747.A OD2 no hydrogen 3.284 N/A GLY 746.A N VAL 763.A O no hydrogen 3.006 N/A ASP 747.A N LYS 744.A O no hydrogen 3.099 N/A LEU 749.A N LEU 761.A O no hydrogen 2.824 N/A VAL 750.A N LEU 761.A O no hydrogen 2.930 N/A GLY 751.A N GLY 735.A O no hydrogen 3.429 N/A ARG 752.A N SER 760.A OG no hydrogen 3.030 N/A THR 753.A N ARG 715.A O no hydrogen 2.937 N/A THR 753.A OG1 ARG 715.A O no hydrogen 3.104 N/A SER 754.A N LYS 757.A O no hydrogen 3.093 N/A THR 759.A N ARG 752.A O no hydrogen 3.043 N/A THR 759.A OG1 THR 759.A O no hydrogen 2.630 N/A SER 760.A OG ARG 752.A O no hydrogen 3.295 N/A SER 760.A OG ASP 758.A OD2 no hydrogen 2.753 N/A VAL 763.A N ASP 747.A O no hydrogen 2.803 N/A GLY 769.A N VAL 743.A O no hydrogen 3.010 N/A ILE 770.A N ALA 799.A O no hydrogen 2.840 N/A VAL 771.A N ALA 741.A O no hydrogen 3.265 N/A VAL 772.A N TYR 797.A O no hydrogen 3.077 N/A VAL 775.A N ARG 795.A O no hydrogen 2.875 N/A ARG 776.A NH1 GLU 733.A OE2 no hydrogen 3.535 N/A LEU 777.A N VAL 793.A O no hydrogen 2.971 N/A ARG 791.A N ALA 706.A O no hydrogen 3.275 N/A VAL 793.A N LEU 777.A O no hydrogen 3.416 N/A VAL 794.A N ILE 704.A O no hydrogen 3.234 N/A ARG 795.A N VAL 775.A O no hydrogen 2.728 N/A ARG 795.A NH1 GLU 703.A OE1 no hydrogen 3.175 N/A VAL 796.A N TYR 702.A O no hydrogen 3.103 N/A TYR 797.A N ARG 773.A O no hydrogen 3.128 N/A VAL 798.A N GLU 700.A O no hydrogen 3.123 N/A ALA 799.A N ILE 770.A O no hydrogen 3.020 N/A GLN 800.A N HIS 698.A O no hydrogen 2.989 N/A ARG 802.A N SER 696.A O no hydrogen 2.777 N/A ARG 802.A NH2 GLN 800.A OE1 no hydrogen 3.122 N/A LEU 804.A N TYR 694.A O no hydrogen 3.127 N/A ASP 808.A N GLN 805.A O no hydrogen 3.062 N/A LEU 810.A N GLY 818.A O no hydrogen 2.861 N/A ALA 811.A N MET 966.A O no hydrogen 2.813 N/A ASN 812.A N ASN 816.A O no hydrogen 3.145 N/A ASN 812.A ND2 GLN 855.A OE1 no hydrogen 2.803 N/A ARG 813.A NH1 VAL 573.A O no hydrogen 3.259 N/A ARG 813.A NH2 VAL 573.A O no hydrogen 3.361 N/A ARG 813.A NH2 GLU 858.A OE1 no hydrogen 2.958 N/A ARG 813.A NH2 GLU 858.A OE2 no hydrogen 2.923 N/A HIS 814.A ND1 ASP 547.A OD1 no hydrogen 2.371 N/A GLY 815.A N ASN 812.A O no hydrogen 3.112 N/A GLY 815.A N ASN 812.A OD1 no hydrogen 3.122 N/A ASN 816.A N ASN 812.A OD1 no hydrogen 2.615 N/A ASN 816.A ND2 GLN 855.A OE1 no hydrogen 3.119 N/A GLY 818.A N LEU 810.A O no hydrogen 2.952 N/A VAL 820.A N ASP 808.A O no hydrogen 3.009 N/A ALA 821.A N ILE 682.A O no hydrogen 2.709 N/A LEU 824.A N ILE 684.A O no hydrogen 2.530 N/A ASP 828.A N PRO 825.A O no hydrogen 2.912 N/A MET 829.A N VAL 826.A O no hydrogen 3.286 N/A HIS 831.A N TYR 946.A O no hydrogen 3.237 N/A LEU 832.A N THR 836.A O no hydrogen 2.809 N/A THR 836.A N ASP 834.A OD2 no hydrogen 2.883 N/A THR 836.A OG1 PRO 837.A O no hydrogen 3.436 N/A VAL 838.A N PRO 830.A O no hydrogen 3.097 N/A ASP 839.A N LEU 667.A O no hydrogen 2.666 N/A VAL 840.A N LEU 667.A O no hydrogen 3.136 N/A ILE 841.A N VAL 683.A O no hydrogen 3.309 N/A LEU 842.A N ALA 669.A O no hydrogen 3.050 N/A GLY 846.A N ASN 843.A O no hydrogen 3.429 N/A VAL 847.A N PRO 844.A O no hydrogen 2.905 N/A ARG 850.A NH1 GLY 846.A O no hydrogen 3.419 N/A GLY 854.A N ASP 547.A OD2 no hydrogen 2.467 N/A GLN 855.A N ASN 852.A O no hydrogen 3.304 N/A GLN 855.A NE2 ASN 852.A O no hydrogen 3.479 N/A LEU 857.A N LEU 853.A O no hydrogen 3.002 N/A LEU 857.A N GLY 854.A O no hydrogen 3.141 N/A GLU 858.A N GLY 854.A O no hydrogen 2.941 N/A THR 859.A N GLN 855.A O no hydrogen 2.980 N/A THR 859.A OG1 GLN 855.A O no hydrogen 3.142 N/A HIS 860.A N ILE 856.A O no hydrogen 3.410 N/A HIS 860.A N LEU 857.A O no hydrogen 2.635 N/A LEU 861.A N LEU 857.A O no hydrogen 3.148 N/A GLY 862.A N GLU 858.A O no hydrogen 2.662 N/A LEU 863.A N THR 859.A O no hydrogen 2.954 N/A LEU 863.A N HIS 860.A O no hydrogen 2.838 N/A ALA 864.A N HIS 860.A O no hydrogen 3.295 N/A GLY 865.A N LEU 861.A O no hydrogen 3.052 N/A TYR 866.A N GLY 862.A O no hydrogen 3.252 N/A LEU 868.A N ALA 864.A O no hydrogen 2.717 N/A GLN 870.A N GLY 865.A O no hydrogen 3.107 N/A ARG 871.A N GLU 2.A O no hydrogen 3.149 N/A TYR 872.A N VAL 572.A O no hydrogen 3.104 N/A ILE 873.A N LYS 4.A O no hydrogen 3.205 N/A SER 874.A N MET 574.A O no hydrogen 2.561 N/A GLY 879.A N PRO 875.A O no hydrogen 2.842 N/A ALA 880.A N SER 874.A OG no hydrogen 3.033 N/A LYS 881.A N GLU 884.A OE1 no hydrogen 2.735 N/A ILE 885.A N LYS 881.A O no hydrogen 3.132 N/A LYS 886.A N GLU 882.A O no hydrogen 3.329 N/A GLU 887.A N PRO 883.A O no hydrogen 3.083 N/A LEU 888.A N GLU 884.A O no hydrogen 3.227 N/A LEU 889.A N ILE 885.A O no hydrogen 2.816 N/A ALA 890.A N LYS 886.A O no hydrogen 2.946 N/A GLN 891.A N GLU 887.A O no hydrogen 3.272 N/A ALA 892.A N LEU 888.A O no hydrogen 2.923 N/A PHE 893.A N ALA 890.A O no hydrogen 3.219 N/A GLU 894.A N GLN 891.A O no hydrogen 3.161 N/A VAL 895.A N ALA 892.A O no hydrogen 3.339 N/A TYR 896.A N ALA 892.A O no hydrogen 3.072 N/A PHE 897.A N PHE 893.A O no hydrogen 2.868 N/A ARG 900.A NH2 GLU 911.A OE2 no hydrogen 3.054 N/A LYS 901.A N PHE 897.A O no hydrogen 3.129 N/A LYS 901.A N GLY 898.A O no hydrogen 3.234 N/A LYS 901.A NZ GLU 931.A OE2 no hydrogen 3.557 N/A GLY 902.A N GLY 898.A O no hydrogen 3.422 N/A GLU 903.A N LYS 899.A O no hydrogen 2.784 N/A PHE 905.A N ARG 900.A O no hydrogen 3.402 N/A ASP 908.A N GLU 911.A OE2 no hydrogen 3.346 N/A LYS 909.A N ASP 908.A OD2 no hydrogen 2.666 N/A ARG 910.A N ASP 908.A OD2 no hydrogen 3.214 N/A VAL 912.A N ASP 908.A O no hydrogen 3.115 N/A GLU 913.A N LYS 909.A O no hydrogen 3.063 N/A VAL 914.A N ARG 910.A O no hydrogen 3.007 N/A LEU 915.A N GLU 911.A O no hydrogen 3.185 N/A ARG 916.A N VAL 912.A O no hydrogen 3.044 N/A ARG 917.A N GLU 913.A O no hydrogen 3.380 N/A ALA 918.A N VAL 914.A O no hydrogen 2.863 N/A ALA 918.A N LEU 915.A O no hydrogen 3.171 N/A GLU 919.A N LEU 915.A O no hydrogen 2.955 N/A LYS 920.A N ARG 916.A O no hydrogen 3.036 N/A LEU 921.A N ALA 918.A O no hydrogen 3.083 N/A GLY 922.A N GLU 919.A O no hydrogen 3.010 N/A LEU 923.A N ALA 918.A O no hydrogen 2.896 N/A THR 925.A OG1 GLU 936.A OE1 no hydrogen 2.537 N/A GLU 931.A N THR 929.A OG1 no hydrogen 3.234 N/A GLN 933.A N THR 929.A O no hydrogen 2.700 N/A GLN 933.A NE2 LYS 928.A O no hydrogen 2.253 N/A LEU 934.A N PRO 930.A O no hydrogen 2.724 N/A LYS 935.A N GLU 931.A O no hydrogen 3.199 N/A GLU 936.A N GLU 932.A O no hydrogen 3.128 N/A LEU 937.A N GLN 933.A O no hydrogen 2.892 N/A PHE 938.A N LEU 934.A O no hydrogen 2.642 N/A LEU 939.A N LYS 935.A O no hydrogen 2.823 N/A GLY 941.A N PHE 938.A O no hydrogen 2.496 N/A LYS 942.A N LEU 937.A O no hydrogen 3.285 N/A VAL 943.A N ILE 958.A O no hydrogen 3.115 N/A TYR 946.A N HIS 831.A O no hydrogen 3.188 N/A TYR 946.A OH ASP 908.A OD1 no hydrogen 2.743 N/A ASP 947.A N GLU 952.A O no hydrogen 2.947 N/A ARG 949.A N ASP 947.A OD1 no hydrogen 3.116 N/A ARG 949.A NE ASP 947.A OD1 no hydrogen 3.457 N/A ILE 954.A N LEU 945.A O no hydrogen 2.955 N/A ILE 958.A N VAL 943.A O no hydrogen 2.962 N/A GLY 961.A N VAL 668.A O no hydrogen 2.999 N/A MET 963.A N VAL 666.A O no hydrogen 3.205 N/A PHE 964.A N GLU 858.A OE1 no hydrogen 2.744 N/A ILE 965.A N GLN 664.A O no hydrogen 3.346 N/A MET 966.A N ALA 811.A O no hydrogen 3.009 N/A LYS 967.A NZ LEU 968.A O no hydrogen 3.544 N/A LEU 968.A N LYS 809.A O no hydrogen 3.035 N/A TYR 969.A N GLN 561.A O no hydrogen 3.205 N/A LYS 975.A N VAL 972.A O no hydrogen 2.771 N/A LYS 975.A NZ HIS 970.A NE2 no hydrogen 3.115 N/A ARG 979.A NE PHE 998.A O no hydrogen 2.841 N/A THR 981.A OG1 SER 980.A O no hydrogen 2.709 N/A SER 985.A N GLN 990.A O no hydrogen 2.598 N/A GLN 989.A N SER 985.A O no hydrogen 3.225 N/A LEU 992.A N GLN 990.A O no hydrogen 2.467 N/A GLU 1007.A N GLY 1004.A O no hydrogen 3.304 N/A VAL 1008.A N GLY 1004.A O no hydrogen 3.178 N/A TRP 1009.A N GLU 1005.A O no hydrogen 2.867 N/A LEU 1011.A N GLU 1007.A O no hydrogen 3.050 N/A GLU 1012.A N VAL 1008.A O no hydrogen 2.600 N/A ALA 1013.A N TRP 1009.A O no hydrogen 2.797 N/A TYR 1014.A N ALA 1010.A O no hydrogen 3.356 N/A GLY 1015.A N LEU 1011.A O no hydrogen 3.133 N/A GLY 1015.A N GLU 1012.A O no hydrogen 2.624 N/A ALA 1016.A N LEU 1011.A O no hydrogen 3.199 N/A ALA 1017.A N GLY 1015.A O no hydrogen 2.641 N/A LEU 1020.A N ALA 1016.A O no hydrogen 3.143 N/A LEU 1020.A N ALA 1017.A O no hydrogen 3.049 N/A GLN 1021.A N ALA 1017.A O no hydrogen 2.743 N/A GLU 1022.A N HIS 1018.A O no hydrogen 2.553 N/A LEU 1024.A N LEU 1020.A O no hydrogen 3.153 N/A LEU 1024.A N GLN 1021.A O no hydrogen 2.954 N/A THR 1025.A N GLN 1021.A O no hydrogen 2.787 N/A THR 1025.A OG1 GLN 1021.A O no hydrogen 2.709 N/A LYS 1027.A N GLU 1022.A O no hydrogen 3.003 N/A SER 1028.A N THR 1025.A O no hydrogen 2.474 N/A SER 1028.A OG MET 1023.A O no hydrogen 2.788 N/A ARG 1034.A N ASP 1030.A O no hydrogen 2.950 N/A ALA 1036.A N GLU 1032.A O no hydrogen 3.070 N/A ALA 1037.A N GLY 1033.A O no hydrogen 2.841 N/A TYR 1038.A N ARG 1034.A O no hydrogen 2.884 N/A GLU 1039.A N ASN 1035.A O no hydrogen 2.951 N/A ALA 1040.A N ALA 1036.A O no hydrogen 2.868 N/A ILE 1041.A N ALA 1037.A O no hydrogen 3.025 N/A ILE 1042.A N TYR 1038.A O no hydrogen 2.934 N/A LYS 1043.A N GLU 1039.A O no hydrogen 2.923 N/A LYS 1043.A N ALA 1040.A O no hydrogen 2.861 N/A LYS 1043.A NZ GLU 1045.A OE2 no hydrogen 3.426 N/A GLY 1044.A N ILE 1041.A O no hydrogen 3.018 N/A GLU 1045.A N ALA 1040.A O no hydrogen 2.725 N/A SER 1051.A OG ASP 1030.A OD2 no hydrogen 2.771 N/A SER 1055.A OG ASP 1029.A OD1 no hydrogen 2.942 N/A PHE 1056.A N PRO 1053.A O no hydrogen 2.482 N/A ARG 1057.A N PRO 1053.A O no hydrogen 3.145 N/A ARG 1057.A NE GLU 1054.A OE1 no hydrogen 2.716 N/A ARG 1057.A NH2 ILE 1082.A O no hydrogen 3.454 N/A VAL 1058.A N GLU 1054.A O no hydrogen 2.518 N/A LEU 1059.A N PHE 1056.A O no hydrogen 2.936 N/A VAL 1060.A N PHE 1056.A O no hydrogen 2.908 N/A LYS 1061.A N ARG 1057.A O no hydrogen 3.144 N/A LYS 1061.A NZ GLN 1064.A OE1 no hydrogen 3.172 N/A GLU 1062.A N VAL 1058.A O no hydrogen 3.098 N/A LEU 1063.A N LEU 1059.A O no hydrogen 2.793 N/A GLN 1064.A N LYS 1061.A O no hydrogen 2.667 N/A ALA 1065.A N LYS 1061.A O no hydrogen 2.593 N/A THR 1072.A OG1 VAL 1080.A O no hydrogen 3.157 N/A ASP 1074.A N ASN 1078.A O no hydrogen 2.640 N/A LYS 1076.A NZ ASP 1074.A OD2 no hydrogen 3.297 N/A LYS 1076.A NZ LYS 1076.A O no hydrogen 2.624 N/A ASN 1078.A ND2 LYS 1076.A O no hydrogen 3.405 N/A