Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u7h_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N ILE 181.A O no hydrogen 2.447 N/A TYR 4.A OH SER 237.A OG no hydrogen 2.473 N/A ARG 6.A NH1 GLU 189.A OE2 no hydrogen 3.382 N/A LYS 8.A NZ GLU 236.A O no hydrogen 3.461 N/A LEU 9.A N ASN 56.A O no hydrogen 2.867 N/A MET 10.A N LEU 79.A O no hydrogen 3.520 N/A SER 17.A N ASN 14.A O no hydrogen 3.320 N/A THR 20.A OG1 ASP 59.A OD1 no hydrogen 3.459 N/A THR 20.A OG1 ASP 59.A OD2 no hydrogen 2.425 N/A LEU 22.A N GLY 18.A O no hydrogen 2.683 N/A LEU 23.A N LYS 19.A O no hydrogen 2.920 N/A GLN 24.A N THR 20.A O no hydrogen 2.882 N/A GLN 25.A N THR 21.A O no hydrogen 2.932 N/A LEU 26.A N LEU 22.A O no hydrogen 2.895 N/A LEU 26.A N LEU 23.A O no hydrogen 3.178 N/A MET 27.A N LEU 23.A O no hydrogen 2.911 N/A MET 27.A N GLN 24.A O no hydrogen 3.357 N/A LYS 39.A N VAL 57.A O no hydrogen 2.750 N/A ILE 43.A N LEU 53.A O no hydrogen 3.151 N/A LYS 50.A N ASP 47.A O no hydrogen 3.349 N/A LEU 55.A N TRP 41.A O no hydrogen 3.336 N/A ASN 56.A N MET 7.A O no hydrogen 2.898 N/A ASN 56.A ND2 GLY 238.A O no hydrogen 3.339 N/A VAL 57.A N LYS 39.A O no hydrogen 2.725 N/A TRP 58.A N LEU 9.A O no hydrogen 2.955 N/A ASP 59.A N ASP 37.A O no hydrogen 3.439 N/A ARG 63.A NH2 THR 33.A O no hydrogen 3.297 N/A PHE 66.A N ARG 63.A O no hydrogen 3.303 N/A TYR 67.A N GLU 64.A O no hydrogen 2.931 N/A TYR 67.A OH GLY 62.A O no hydrogen 3.007 N/A THR 69.A N PHE 66.A O no hydrogen 3.054 N/A HIS 70.A N TYR 67.A O no hydrogen 2.949 N/A HIS 70.A ND1 PHE 66.A O no hydrogen 3.057 N/A PHE 73.A N HIS 70.A O no hydrogen 2.879 N/A LEU 79.A N LYS 8.A O no hydrogen 3.276 N/A TYR 80.A OH THR 75.A O no hydrogen 2.372 N/A LEU 81.A N MET 10.A O no hydrogen 3.293 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.621 N/A SER 87.A N ASP 85.A OD1 no hydrogen 3.227 N/A GLU 92.A N GLY 89.A O no hydrogen 3.100 N/A ALA 95.A N ALA 91.A O no hydrogen 2.929 N/A MET 96.A N GLU 92.A O no hydrogen 2.877 N/A LYS 97.A N VAL 93.A O no hydrogen 2.896 N/A TRP 99.A N MET 96.A O no hydrogen 3.016 N/A TRP 99.A NE1 TYR 67.A OH no hydrogen 2.704 N/A LEU 100.A N MET 96.A O no hydrogen 3.433 N/A PHE 101.A N LYS 97.A O no hydrogen 2.927 N/A ASN 102.A N PRO 98.A O no hydrogen 2.879 N/A ILE 103.A N TRP 99.A O no hydrogen 2.920 N/A LYS 104.A N LEU 100.A O no hydrogen 2.858 N/A ALA 105.A N ASN 102.A O no hydrogen 3.266 N/A ARG 106.A N ASN 102.A O no hydrogen 2.967 N/A ALA 107.A N ILE 103.A O no hydrogen 3.179 N/A SER 108.A OG LYS 104.A O no hydrogen 3.369 N/A VAL 115.A N ALA 82.A O no hydrogen 3.152 N/A SER 122.A N LEU 119.A O no hydrogen 3.430 N/A LYS 128.A N GLU 124.A O no hydrogen 2.916 N/A CYS 130.A SG ARG 127.A O no hydrogen 3.137 N/A MET 131.A N ARG 127.A O no hydrogen 2.917 N/A SER 132.A N LYS 128.A O no hydrogen 2.917 N/A SER 132.A OG LYS 128.A O no hydrogen 2.888 N/A SER 132.A OG ALA 129.A O no hydrogen 2.499 N/A LYS 133.A N ALA 129.A O no hydrogen 2.903 N/A ILE 134.A N CYS 130.A O no hydrogen 2.918 N/A ILE 134.A N MET 131.A O no hydrogen 3.272 N/A ARG 141.A N VAL 112.A O no hydrogen 2.992 N/A HIS 144.A N LEU 114.A O no hydrogen 3.108 N/A LYS 157.A N ALA 154.A O no hydrogen 2.866 N/A LEU 158.A N LEU 155.A O no hydrogen 2.941 N/A THR 161.A N LYS 157.A O no hydrogen 2.366 N/A THR 161.A OG1 LYS 157.A O no hydrogen 2.983 N/A ILE 162.A N LEU 158.A O no hydrogen 2.580 N/A ILE 163.A N ARG 159.A O no hydrogen 2.769 N/A ASN 164.A N LYS 160.A O no hydrogen 2.949 N/A GLU 165.A N THR 161.A O no hydrogen 2.649 N/A SER 166.A N ILE 163.A O no hydrogen 2.961 N/A SER 166.A OG ILE 163.A O no hydrogen 2.281 N/A LEU 167.A N ASN 164.A O no hydrogen 2.959 N/A ASN 168.A N ASN 164.A O no hydrogen 2.691 N/A GLY 178.A N LEU 175.A O no hydrogen 3.472 N/A ILE 181.A N VAL 2.A O no hydrogen 3.123 N/A ILE 181.A N GLN 179.A O no hydrogen 2.643 N/A TYR 185.A N PRO 182.A O no hydrogen 3.117 N/A GLU 187.A N ASP 183.A O no hydrogen 2.917 N/A LEU 188.A N CYS 184.A O no hydrogen 2.883 N/A GLU 189.A N TYR 185.A O no hydrogen 2.973 N/A LYS 190.A N VAL 186.A O no hydrogen 2.843 N/A ILE 191.A N GLU 187.A O no hydrogen 2.939 N/A ILE 192.A N LEU 188.A O no hydrogen 2.894 N/A LEU 193.A N GLU 189.A O no hydrogen 2.977 N/A SER 194.A OG ILE 191.A O no hydrogen 3.195 N/A GLU 195.A N ILE 191.A O no hydrogen 2.882 N/A ARG 196.A N ILE 192.A O no hydrogen 2.902 N/A LYS 197.A N SER 194.A O no hydrogen 2.959 N/A ASN 198.A N SER 194.A O no hydrogen 2.924 N/A VAL 199.A N GLU 195.A O no hydrogen 2.821 N/A PHE 203.A N PRO 200.A O no hydrogen 3.419 N/A ILE 206.A N TYR 254.A O no hydrogen 2.808 N/A ARG 210.A NE GLU 195.A OE2 no hydrogen 3.104 N/A ARG 210.A NH2 GLU 195.A OE1 no hydrogen 2.714 N/A ARG 210.A NH2 GLU 195.A OE2 no hydrogen 3.485 N/A LEU 212.A N ARG 208.A O no hydrogen 2.920 N/A GLN 213.A N LYS 209.A O no hydrogen 2.898 N/A LEU 214.A N ARG 210.A O no hydrogen 2.921 N/A VAL 215.A N LEU 211.A O no hydrogen 2.939 N/A GLU 217.A N GLN 213.A O no hydrogen 2.904 N/A ASN 218.A N LEU 214.A O no hydrogen 3.401 N/A LEU 220.A N VAL 215.A O no hydrogen 3.359 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 2.555 N/A ALA 230.A N GLU 226.A O no hydrogen 2.611 N/A VAL 231.A N LEU 227.A O no hydrogen 2.894 N/A HIS 232.A N PRO 228.A O no hydrogen 2.868 N/A PHE 233.A N HIS 229.A O no hydrogen 2.914 N/A LEU 234.A N ALA 230.A O no hydrogen 2.946 N/A ASN 235.A N VAL 231.A O no hydrogen 2.861 N/A GLU 236.A N HIS 232.A O no hydrogen 2.880 N/A SER 237.A N PHE 233.A O no hydrogen 2.985 N/A SER 237.A OG TYR 4.A OH no hydrogen 2.473 N/A SER 237.A OG ARG 6.A O no hydrogen 3.197 N/A GLY 238.A N LEU 234.A O no hydrogen 2.778 N/A VAL 239.A N LEU 234.A O no hydrogen 3.052 N/A LEU 241.A N PHE 255.A O no hydrogen 2.865 N/A HIS 242.A NE2 SER 251.A O no hydrogen 3.094 N/A ALA 247.A N ILE 668.A O no hydrogen 3.079 N/A GLN 249.A N ASP 245.A O no hydrogen 3.291 N/A GLN 249.A N PRO 246.A O no hydrogen 3.038 N/A TYR 254.A N ILE 206.A O no hydrogen 2.835 N/A PHE 255.A N LEU 241.A O no hydrogen 2.934 N/A TRP 260.A N GLU 257.A O no hydrogen 3.111 N/A CYS 262.A SG ILE 36.A O no hydrogen 3.281 N/A CYS 262.A SG LYS 259.A O no hydrogen 3.194 N/A LYS 263.A N TRP 260.A O no hydrogen 3.130 N/A LYS 263.A NZ VAL 34.A O no hydrogen 2.719 N/A ILE 264.A N LEU 261.A O no hydrogen 3.340 N/A GLN 267.A N LYS 263.A O no hydrogen 2.931 N/A ILE 268.A N ILE 264.A O no hydrogen 2.908 N/A LEU 269.A N MET 265.A O no hydrogen 2.915 N/A ILE 277.A N LEU 306.A O no hydrogen 3.052 N/A SER 278.A OG ARG 279.A O no hydrogen 3.357 N/A ASP 281.A N ARG 279.A O no hydrogen 2.667 N/A GLU 283.A N ARG 280.A O no hydrogen 3.418 N/A LYS 284.A N ASP 281.A O no hydrogen 3.455 N/A ARG 290.A N LYS 288.A O no hydrogen 2.629 N/A TYR 300.A N MET 297.A O no hydrogen 3.357 N/A LEU 306.A N ILE 277.A O no hydrogen 2.664 N/A LEU 312.A N PRO 309.A O no hydrogen 3.111 N/A HIS 315.A N SER 313.A OG no hydrogen 3.275 N/A ILE 319.A N PRO 317.A O no hydrogen 3.012 N/A CYS 324.A SG CYS 324.A O no hydrogen 3.005 N/A ASN 326.A ND2 SER 434.A OG no hydrogen 3.322 N/A GLU 328.A N GLU 325.A O no hydrogen 3.367 N/A ILE 330.A N VAL 395.A O no hydrogen 2.819 N/A ARG 332.A N ILE 393.A O no hydrogen 3.014 N/A LEU 333.A N TRP 430.A O no hydrogen 2.937 N/A TYR 334.A N LEU 391.A O no hydrogen 2.854 N/A TYR 334.A OH ASP 413.A OD2 no hydrogen 3.412 N/A GLU 335.A N LYS 428.A O no hydrogen 2.866 N/A MET 336.A N SER 389.A O no hydrogen 2.907 N/A LEU 347.A N PHE 343.A O no hydrogen 2.890 N/A ILE 348.A N TRP 344.A O no hydrogen 2.876 N/A ASN 349.A N SER 345.A O no hydrogen 2.964 N/A ARG 350.A N ARG 346.A O no hydrogen 2.892 N/A LEU 351.A N LEU 347.A O no hydrogen 2.868 N/A LEU 352.A N ASN 349.A O no hydrogen 3.192 N/A SER 355.A OG SER 355.A O no hydrogen 2.325 N/A TYR 361.A OH GLY 275.A O no hydrogen 3.256 N/A TRP 362.A N GLY 365.A O no hydrogen 3.157 N/A ARG 363.A N SER 313.A O no hydrogen 3.132 N/A ASN 369.A N ASN 358.A O no hydrogen 3.440 N/A TRP 370.A N ALA 374.A O no hydrogen 3.400 N/A ALA 374.A N SER 371.A O no hydrogen 3.119 N/A CYS 376.A N LEU 368.A O no hydrogen 3.327 N/A LEU 377.A N THR 394.A O no hydrogen 3.192 N/A VAL 378.A N CYS 376.A O no hydrogen 3.065 N/A GLY 379.A N LYS 392.A O no hydrogen 2.910 N/A GLU 381.A N PHE 390.A O no hydrogen 3.060 N/A ASP 384.A N VAL 382.A O no hydrogen 2.717 N/A GLU 388.A N GLU 388.A OE1 no hydrogen 2.589 N/A SER 389.A N MET 336.A O no hydrogen 2.918 N/A LEU 391.A N TYR 334.A O no hydrogen 2.934 N/A LYS 392.A N GLY 379.A O no hydrogen 2.807 N/A LYS 392.A NZ THR 394.A OG1 no hydrogen 3.057 N/A VAL 395.A N ILE 330.A O no hydrogen 3.005 N/A SER 397.A N GLU 328.A O no hydrogen 2.496 N/A SER 397.A OG SER 327.A O no hydrogen 3.259 N/A SER 397.A OG GLU 328.A O no hydrogen 3.097 N/A CYS 398.A N PRO 396.A O no hydrogen 2.727 N/A CYS 398.A SG GLU 373.A O no hydrogen 3.160 N/A CYS 402.A N CYS 398.A O no hydrogen 2.999 N/A CYS 402.A SG CYS 398.A O no hydrogen 3.865 N/A ILE 403.A N ARG 399.A O no hydrogen 2.914 N/A LEU 404.A N LYS 400.A O no hydrogen 3.022 N/A LEU 405.A N GLY 401.A O no hydrogen 2.877 N/A GLY 406.A N CYS 402.A O no hydrogen 2.902 N/A GLN 407.A N LEU 404.A O no hydrogen 3.203 N/A VAL 408.A N LEU 404.A O no hydrogen 2.961 N/A VAL 409.A N LEU 405.A O no hydrogen 2.973 N/A HIS 411.A N GLN 407.A O no hydrogen 2.940 N/A ILE 412.A N VAL 408.A O no hydrogen 2.910 N/A ASP 413.A N VAL 409.A O no hydrogen 2.978 N/A SER 414.A N ASP 410.A O no hydrogen 2.906 N/A SER 414.A OG ASP 410.A O no hydrogen 3.070 N/A SER 414.A OG GLN 641.A OE1 no hydrogen 2.956 N/A LEU 415.A N HIS 411.A O no hydrogen 2.941 N/A MET 416.A N ILE 412.A O no hydrogen 2.902 N/A GLU 417.A N SER 414.A O no hydrogen 3.192 N/A GLU 418.A N SER 414.A O no hydrogen 2.951 N/A GLU 418.A N LEU 415.A O no hydrogen 3.224 N/A TRP 419.A N LEU 415.A O no hydrogen 3.006 N/A LEU 424.A N PRO 421.A O no hydrogen 2.854 N/A THR 425.A OG1 LEU 423.A O no hydrogen 2.835 N/A LEU 427.A N LEU 423.A O no hydrogen 3.286 N/A LYS 428.A N GLU 335.A O no hydrogen 2.964 N/A TRP 430.A N LEU 333.A O no hydrogen 2.854 N/A TRP 430.A NE1 GLU 335.A OE1 no hydrogen 2.699 N/A ALA 431.A N ILE 444.A O no hydrogen 2.882 N/A TYR 433.A N GLN 442.A O no hydrogen 2.888 N/A GLU 439.A N ASN 436.A O no hydrogen 3.432 N/A GLN 442.A N TYR 433.A O no hydrogen 2.923 N/A ILE 444.A N ALA 431.A O no hydrogen 2.942 N/A LEU 449.A N LEU 445.A O no hydrogen 3.342 N/A MET 450.A N LEU 446.A O no hydrogen 2.922 N/A LYS 451.A NZ ASP 447.A O no hydrogen 2.341 N/A LYS 452.A N ASP 448.A O no hydrogen 2.933 N/A ALA 453.A N LEU 449.A O no hydrogen 2.891 N/A GLU 454.A N MET 450.A O no hydrogen 2.887 N/A GLU 455.A N LYS 451.A O no hydrogen 2.940 N/A ASN 461.A N LEU 467.A O no hydrogen 3.326 N/A ASN 461.A ND2 GLN 464.A O no hydrogen 2.895 N/A ASP 463.A N ASN 461.A OD1 no hydrogen 3.187 N/A LEU 467.A N GLN 464.A O no hydrogen 3.458 N/A ILE 469.A N LEU 459.A O no hydrogen 3.281 N/A ALA 475.A N ILE 471.A O no hydrogen 3.150 N/A LEU 478.A N ALA 475.A O no hydrogen 3.264 N/A ALA 481.A N PRO 476.A O no hydrogen 3.387 N/A ILE 487.A N PRO 484.A O no hydrogen 3.158 N/A GLU 493.A N ASN 490.A O no hydrogen 2.571 N/A LEU 494.A N ASN 491.A O no hydrogen 3.345 N/A SER 508.A N ASP 506.A O no hydrogen 2.862 N/A SER 511.A OG ASP 506.A OD1 no hydrogen 2.780 N/A TYR 513.A N VAL 524.A O no hydrogen 2.963 N/A ALA 515.A N VAL 522.A O no hydrogen 2.914 N/A TYR 517.A N GLU 520.A O no hydrogen 3.450 N/A VAL 522.A N ALA 515.A O no hydrogen 2.891 N/A ALA 523.A N MET 566.A O no hydrogen 2.807 N/A VAL 524.A N TYR 513.A O no hydrogen 2.849 N/A LYS 525.A N LEU 564.A O no hydrogen 3.435 N/A LYS 525.A NZ GLU 539.A OE1 no hydrogen 2.991 N/A LYS 525.A NZ GLU 539.A OE2 no hydrogen 3.121 N/A PHE 527.A N ARG 562.A O no hydrogen 3.445 N/A THR 531.A OG1 ASN 528.A O no hydrogen 3.074 N/A ARG 534.A NE GLU 417.A OE2 no hydrogen 2.795 N/A ARG 534.A NH1 ARG 534.A O no hydrogen 3.177 N/A LEU 535.A N SER 532.A O no hydrogen 3.159 N/A ARG 537.A N LEU 533.A O no hydrogen 2.965 N/A ARG 537.A NE ASP 410.A OD1 no hydrogen 2.811 N/A ARG 537.A NH2 ASP 410.A OD1 no hydrogen 2.962 N/A GLN 538.A N ARG 534.A O no hydrogen 2.842 N/A GLN 538.A NE2 GLY 638.A O no hydrogen 2.513 N/A GLU 539.A N LEU 535.A O no hydrogen 2.976 N/A LEU 540.A N LEU 536.A O no hydrogen 2.902 N/A VAL 542.A N GLU 539.A O no hydrogen 3.286 N/A LEU 543.A N GLU 539.A O no hydrogen 2.945 N/A CYS 544.A SG LEU 540.A O no hydrogen 3.124 N/A LEU 546.A N VAL 542.A O no hydrogen 3.343 N/A HIS 548.A NE2 ASP 599.A OD1 no hydrogen 3.117 N/A HIS 548.A NE2 ASP 599.A OD2 no hydrogen 2.971 N/A SER 550.A OG HIS 596.A O no hydrogen 3.270 N/A LEU 551.A N HIS 548.A O no hydrogen 3.190 N/A ILE 552.A N ILE 634.A O no hydrogen 2.907 N/A LEU 555.A N VAL 565.A O no hydrogen 2.880 N/A VAL 565.A N ALA 556.A O no hydrogen 3.162 N/A GLU 567.A N SER 553.A O no hydrogen 3.463 N/A SER 570.A OG PHE 622.A O no hydrogen 2.985 N/A ARG 576.A NE GLN 580.A OE1 no hydrogen 2.940 N/A ARG 576.A NH2 GLN 580.A OE1 no hydrogen 2.827 N/A LEU 577.A N LEU 574.A O no hydrogen 3.352 N/A LEU 578.A N ASP 575.A O no hydrogen 2.759 N/A SER 584.A N ASP 581.A O no hydrogen 3.209 N/A THR 588.A N THR 586.A OG1 no hydrogen 3.360 N/A LEU 589.A N THR 586.A OG1 no hydrogen 3.426 N/A GLN 590.A N THR 586.A O no hydrogen 3.396 N/A HIS 591.A N THR 588.A O no hydrogen 2.855 N/A HIS 591.A NE2 LEU 751.A O no hydrogen 2.651 N/A ARG 592.A N THR 588.A O no hydrogen 2.925 N/A ARG 592.A NH1 HIS 591.A ND1 no hydrogen 3.207 N/A ILE 593.A N LEU 589.A O no hydrogen 2.970 N/A ALA 594.A N HIS 591.A O no hydrogen 3.310 N/A LEU 595.A N HIS 591.A O no hydrogen 2.871 N/A LEU 595.A N ARG 592.A O no hydrogen 3.263 N/A HIS 596.A N ARG 592.A O no hydrogen 2.965 N/A HIS 596.A NE2 HIS 1094.A NE2 no hydrogen 3.255 N/A ASP 599.A N LEU 595.A O no hydrogen 2.931 N/A GLY 600.A N HIS 596.A O no hydrogen 2.920 N/A LEU 601.A N VAL 597.A O no hydrogen 2.887 N/A ARG 602.A N ALA 598.A O no hydrogen 2.891 N/A TYR 603.A N ASP 599.A O no hydrogen 2.969 N/A LEU 604.A N GLY 600.A O no hydrogen 2.906 N/A HIS 605.A N LEU 601.A O no hydrogen 2.879 N/A HIS 605.A ND1 ILE 609.A O no hydrogen 3.149 N/A ALA 607.A N LEU 604.A O no hydrogen 2.825 N/A ILE 609.A N LEU 604.A O no hydrogen 3.404 N/A ILE 610.A N GLN 641.A O no hydrogen 3.199 N/A TYR 611.A OH ALA 635.A O no hydrogen 2.598 N/A LYS 615.A N ASP 613.A O no hydrogen 2.712 N/A ASN 618.A ND2 ASP 613.A O no hydrogen 2.942 N/A LEU 620.A N LYS 633.A O no hydrogen 3.201 N/A LEU 621.A N GLY 572.A O no hydrogen 3.063 N/A PHE 622.A N ILE 631.A O no hydrogen 3.024 N/A ILE 631.A N HIS 596.A ND1 no hydrogen 3.224 N/A ALA 632.A N HIS 596.A ND1 no hydrogen 3.417 N/A LYS 633.A N LEU 620.A O no hydrogen 3.071 N/A GLN 641.A NE2 GLU 417.A OE1 no hydrogen 3.229 N/A CYS 643.A N MET 608.A O no hydrogen 3.015 N/A CYS 643.A SG CYS 644.A O no hydrogen 3.454 N/A ILE 648.A N TYR 669.A O no hydrogen 2.971 N/A THR 650.A N GLU 418.A OE1 no hydrogen 3.452 N/A SER 651.A OG SER 651.A O no hydrogen 2.342 N/A THR 654.A OG1 ASP 613.A OD1 no hydrogen 3.291 N/A PHE 657.A N THR 654.A O no hydrogen 3.102 N/A GLU 661.A N GLU 661.A OE1 no hydrogen 3.270 N/A VAL 662.A N ALA 659.A O no hydrogen 3.139 N/A GLY 665.A N ALA 663.A O no hydrogen 2.883 N/A VAL 667.A N ARG 664.A O no hydrogen 3.491 N/A TYR 669.A OH THR 650.A O no hydrogen 2.773 N/A ALA 673.A N ASN 670.A O no hydrogen 3.001 N/A ASP 674.A N GLN 671.A O no hydrogen 3.208 N/A SER 677.A OG PHE 657.A O no hydrogen 2.966 N/A PHE 678.A N ASP 674.A O no hydrogen 3.127 N/A GLY 679.A N VAL 675.A O no hydrogen 2.873 N/A LEU 680.A N TYR 676.A O no hydrogen 2.920 N/A LEU 681.A N SER 677.A O no hydrogen 2.896 N/A LEU 682.A N PHE 678.A O no hydrogen 2.878 N/A TYR 683.A N GLY 679.A O no hydrogen 2.888 N/A ASP 684.A N LEU 680.A O no hydrogen 2.915 N/A ILE 685.A N LEU 681.A O no hydrogen 2.880 N/A LEU 686.A N LEU 682.A O no hydrogen 2.911 N/A THR 687.A OG1 TYR 683.A O no hydrogen 2.879 N/A THR 688.A N ILE 685.A O no hydrogen 3.395 N/A THR 688.A OG1 THR 687.A O no hydrogen 2.693 N/A GLY 690.A N THR 687.A O no hydrogen 3.353 N/A ARG 691.A NH1 ASP 684.A OD1 no hydrogen 2.958 N/A ARG 691.A NH2 GLY 656.A O no hydrogen 2.637 N/A ILE 692.A N GLY 689.A O no hydrogen 3.110 N/A GLU 694.A N GLY 690.A O no hydrogen 2.949 N/A GLY 695.A N ARG 691.A O no hydrogen 2.851 N/A LEU 696.A N VAL 693.A O no hydrogen 3.220 N/A PHE 702.A N PHE 698.A O no hydrogen 2.724 N/A ASP 703.A N PRO 699.A O no hydrogen 2.902 N/A GLU 704.A N ASN 700.A O no hydrogen 2.916 N/A GLU 706.A N ASP 703.A O no hydrogen 3.313 N/A ILE 707.A N GLU 704.A O no hydrogen 2.964 N/A GLN 708.A N GLU 704.A O no hydrogen 2.499 N/A GLY 709.A N GLU 704.A O no hydrogen 3.242 N/A LYS 716.A N ASP 713.A O no hydrogen 2.990 N/A GLU 717.A N ASP 713.A O no hydrogen 3.358 N/A CYS 720.A SG PRO 714.A O no hydrogen 3.327 N/A CYS 720.A SG ALA 721.A O no hydrogen 3.750 N/A TRP 723.A N GLU 727.A OE2 no hydrogen 3.089 N/A TRP 723.A NE1 LEU 756.A O no hydrogen 2.416 N/A GLU 727.A N TRP 723.A O no hydrogen 3.234 N/A LEU 729.A N VAL 726.A O no hydrogen 2.920 N/A ILE 730.A N VAL 726.A O no hydrogen 3.228 N/A GLN 732.A N LEU 729.A O no hydrogen 2.624 N/A CYS 733.A N LEU 729.A O no hydrogen 2.629 N/A CYS 733.A SG LEU 729.A O no hydrogen 3.303 N/A GLU 740.A N ASN 737.A O no hydrogen 3.030 N/A ARG 741.A N PRO 738.A O no hydrogen 3.407 N/A ARG 741.A NH1 GLN 672.A O no hydrogen 3.256 N/A ARG 741.A NH2 LYS 735.A O no hydrogen 3.380 N/A VAL 747.A N THR 743.A O no hydrogen 2.921 N/A VAL 747.A N SER 744.A O no hydrogen 3.281 N/A PHE 748.A N SER 744.A O no hydrogen 2.943 N/A ASP 749.A N ALA 745.A O no hydrogen 2.916 N/A ILE 750.A N GLN 746.A O no hydrogen 3.506 N/A ASN 752.A N ASP 749.A O no hydrogen 3.050 N/A CYS 758.A N GLU 755.A O no hydrogen 2.693 N/A CYS 758.A SG ALA 754.A O no hydrogen 3.473 N/A LEU 759.A N GLU 755.A O no hydrogen 2.673 N/A THR 760.A N VAL 1079.A O no hydrogen 3.186 N/A THR 760.A OG1 CYS 758.A O no hydrogen 2.420 N/A ILE 763.A N LEU 1077.A O no hydrogen 2.958 N/A LEU 765.A N SER 1075.A O no hydrogen 3.162 N/A ASN 768.A N ILE 1073.A O no hydrogen 3.317 N/A GLU 772.A N GLY 789.A O no hydrogen 3.127 N/A THR 777.A OG1 SER 785.A O no hydrogen 2.256 N/A ILE 786.A N LEU 801.A O no hydrogen 2.831 N/A LEU 788.A N SER 799.A O no hydrogen 2.878 N/A GLY 789.A N CYS 773.A O no hydrogen 2.930 N/A CYS 790.A N GLN 797.A O no hydrogen 3.274 N/A CYS 790.A SG SER 799.A OG no hydrogen 3.723 N/A CYS 790.A SG TYR 808.A OH no hydrogen 3.460 N/A GLY 791.A N ILE 770.A O no hydrogen 3.238 N/A GLY 796.A N ALA 814.A O no hydrogen 3.415 N/A LEU 798.A N GLU 811.A O no hydrogen 2.738 N/A SER 799.A N LEU 788.A O no hydrogen 2.926 N/A SER 799.A OG LEU 788.A O no hydrogen 3.174 N/A LEU 801.A N ILE 786.A O no hydrogen 3.038 N/A LEU 803.A N ALA 784.A O no hydrogen 2.531 N/A THR 805.A N ASP 802.A O no hydrogen 3.186 N/A THR 805.A OG1 ASP 802.A O no hydrogen 3.314 N/A THR 805.A OG1 ASP 802.A OD2 no hydrogen 2.913 N/A GLU 806.A N ASP 802.A O no hydrogen 2.743 N/A THR 809.A OG1 PHE 800.A O no hydrogen 3.115 N/A THR 809.A OG1 THR 809.A O no hydrogen 2.447 N/A ALA 814.A N GLY 796.A O no hydrogen 3.116 N/A ASP 815.A N ASP 815.A OD1 no hydrogen 2.511 N/A SER 816.A OG ARG 817.A O no hydrogen 3.529 N/A LEU 819.A N GLY 837.A O no hydrogen 2.951 N/A CYS 820.A N GLY 837.A O no hydrogen 3.043 N/A ALA 822.A N VAL 835.A O no hydrogen 2.959 N/A VAL 824.A N TRP 833.A O no hydrogen 2.846 N/A LEU 826.A N GLU 831.A O no hydrogen 2.869 N/A LYS 830.A N PRO 827.A O no hydrogen 3.033 N/A GLU 831.A N LEU 826.A O no hydrogen 2.850 N/A TRP 833.A N VAL 824.A O no hydrogen 2.963 N/A ILE 834.A N ILE 846.A O no hydrogen 2.863 N/A VAL 835.A N ALA 822.A O no hydrogen 2.870 N/A SER 836.A N LEU 844.A O no hydrogen 2.898 N/A SER 836.A OG CYS 820.A O no hydrogen 3.102 N/A GLY 837.A N CYS 820.A O no hydrogen 2.786 N/A THR 838.A N THR 842.A O no hydrogen 3.333 N/A THR 838.A OG1 SER 840.A OG no hydrogen 2.685 N/A THR 838.A OG1 THR 842.A O no hydrogen 3.512 N/A GLN 839.A N ARG 817.A O no hydrogen 2.581 N/A SER 840.A N SER 816.A OG no hydrogen 3.054 N/A SER 840.A OG SER 816.A OG no hydrogen 3.238 N/A SER 840.A OG THR 838.A OG1 no hydrogen 2.685 N/A GLY 841.A N THR 838.A O no hydrogen 3.059 N/A GLY 841.A N THR 838.A OG1 no hydrogen 2.854 N/A THR 842.A N THR 838.A OG1 no hydrogen 2.942 N/A ILE 846.A N ILE 834.A O no hydrogen 2.906 N/A THR 848.A N SER 832.A O no hydrogen 3.428 N/A ARG 854.A NH1 GLY 851.A O no hydrogen 2.334 N/A LEU 857.A N LEU 843.A O no hydrogen 3.029 N/A VAL 864.A N THR 838.A O no hydrogen 3.377 N/A THR 865.A N GLY 877.A O no hydrogen 2.643 N/A CYS 866.A N GLY 877.A O no hydrogen 3.273 N/A CYS 866.A SG LEU 867.A O no hydrogen 3.304 N/A CYS 869.A SG LEU 823.A O no hydrogen 3.253 N/A LEU 875.A N TYR 868.A O no hydrogen 3.466 N/A VAL 876.A N ALA 884.A O no hydrogen 2.908 N/A GLY 877.A N CYS 866.A O no hydrogen 3.051 N/A THR 878.A OG1 SER 863.A O no hydrogen 2.371 N/A ALA 879.A N SER 863.A O no hydrogen 3.434 N/A GLY 881.A N THR 878.A O no hydrogen 3.056 N/A ALA 884.A N VAL 876.A O no hydrogen 2.889 N/A PHE 886.A N LEU 874.A O no hydrogen 2.868 N/A LEU 899.A N ILE 885.A O no hydrogen 3.192 N/A LEU 902.A N LEU 883.A O no hydrogen 2.883 N/A THR 909.A N ASN 906.A O no hydrogen 2.801 N/A THR 909.A OG1 ASP 880.A O no hydrogen 3.305 N/A THR 909.A OG1 ASN 906.A O no hydrogen 2.825 N/A THR 909.A OG1 THR 909.A O no hydrogen 2.444 N/A CYS 913.A SG GLY 929.A O no hydrogen 3.718 N/A SER 915.A OG GLU 916.A O no hydrogen 3.065 N/A SER 915.A OG VAL 961.A O no hydrogen 3.397 N/A SER 917.A OG VAL 963.A O no hydrogen 3.218 N/A ASN 919.A N SER 917.A OG no hydrogen 2.788 N/A SER 920.A OG ASN 919.A O no hydrogen 2.472 N/A VAL 925.A N GLU 922.A O no hydrogen 3.344 N/A MET 926.A N ARG 923.A O no hydrogen 3.054 N/A TRP 927.A N SER 915.A O no hydrogen 3.362 N/A CYS 930.A N LYS 933.A O no hydrogen 2.823 N/A CYS 930.A SG THR 909.A OG1 no hydrogen 2.936 N/A GLY 931.A N PRO 910.A O no hydrogen 2.912 N/A THR 932.A OG1 ASN 957.A OD1 no hydrogen 2.466 N/A ILE 934.A N ILE 947.A O no hydrogen 2.914 N/A PHE 935.A N GLY 928.A O no hydrogen 2.873 N/A SER 936.A N LYS 945.A O no hydrogen 2.918 N/A SER 936.A OG MET 926.A O no hydrogen 2.819 N/A SER 936.A OG PHE 937.A O no hydrogen 3.412 N/A PHE 937.A N MET 926.A O no hydrogen 3.048 N/A SER 938.A OG ASN 924.A O no hydrogen 2.659 N/A PHE 941.A N SER 938.A O no hydrogen 2.856 N/A ILE 947.A N ILE 934.A O no hydrogen 2.861 N/A THR 949.A OG1 THR 949.A O no hydrogen 2.480 N/A THR 949.A OG1 GLU 978.A OE1 no hydrogen 3.359 N/A SER 956.A OG GLN 972.A O no hydrogen 3.455 N/A ILE 958.A N GLY 931.A O no hydrogen 3.374 N/A ILE 959.A N ALA 970.A O no hydrogen 2.938 N/A LEU 967.A N TRP 980.A O no hydrogen 2.507 N/A TYR 968.A N VAL 962.A O no hydrogen 3.429 N/A ALA 970.A N THR 960.A O no hydrogen 3.477 N/A LYS 971.A NZ THR 949.A OG1 no hydrogen 3.201 N/A LYS 971.A NZ GLU 978.A OE1 no hydrogen 3.016 N/A GLN 972.A NE2 ILE 958.A O no hydrogen 3.368 N/A SER 974.A OG VAL 976.A O no hydrogen 2.300 N/A VAL 976.A N SER 974.A OG no hydrogen 3.113 N/A GLU 978.A N ILE 969.A O no hydrogen 3.173 N/A VAL 979.A N GLY 989.A O no hydrogen 2.931 N/A TRP 980.A N LEU 967.A O no hydrogen 2.931 N/A ASP 981.A N LYS 986.A O no hydrogen 3.419 N/A GLU 985.A N ASP 981.A O no hydrogen 3.023 N/A CYS 988.A N VAL 979.A O no hydrogen 3.300 N/A CYS 988.A SG LYS 986.A O no hydrogen 3.273 N/A CYS 993.A N PRO 975.A O no hydrogen 2.706 N/A HIS 995.A N ASP 992.A OD1 no hydrogen 3.098 N/A LEU 997.A N CYS 993.A O no hydrogen 2.937 N/A ARG 998.A N HIS 995.A O no hydrogen 3.351 N/A GLU 999.A N PHE 996.A O no hydrogen 3.389 N/A VAL 1000.A N LEU 997.A O no hydrogen 3.118 N/A THR 1001.A N LEU 997.A O no hydrogen 3.062 N/A THR 1001.A OG1 LEU 997.A O no hydrogen 3.195 N/A SER 1002.A OG SER 1002.A O no hydrogen 2.390 N/A ARG 1006.A NE ASN 973.A OD1 no hydrogen 3.140 N/A ARG 1006.A NH1 TYR 1003.A O no hydrogen 2.375 N/A LYS 1008.A N GLY 1021.A O no hydrogen 3.130 N/A THR 1009.A N GLY 1021.A O no hydrogen 3.028 N/A CYS 1011.A N TRP 1019.A O no hydrogen 2.911 N/A GLN 1013.A N ALA 1017.A O no hydrogen 3.066 N/A GLN 1013.A NE2 ILE 1082.A O no hydrogen 2.903 N/A LEU 1018.A N LEU 1030.A O no hydrogen 2.848 N/A TRP 1019.A N CYS 1011.A O no hydrogen 2.923 N/A TRP 1019.A NE1 GLN 1013.A OE1 no hydrogen 3.318 N/A ILE 1020.A N LEU 1028.A O no hydrogen 3.021 N/A GLY 1021.A N THR 1009.A O no hydrogen 2.898 N/A THR 1022.A N HIS 1026.A O no hydrogen 2.881 N/A THR 1022.A OG1 HIS 1026.A O no hydrogen 2.960 N/A GLY 1025.A N THR 1022.A O no hydrogen 2.885 N/A HIS 1026.A N THR 1022.A OG1 no hydrogen 2.808 N/A ILE 1027.A N ILE 1041.A O no hydrogen 2.848 N/A LEU 1028.A N ILE 1020.A O no hydrogen 2.889 N/A LEU 1029.A N ARG 1039.A O no hydrogen 2.936 N/A ASP 1031.A N ARG 1036.A O no hydrogen 2.786 N/A LEU 1032.A N THR 1016.A O no hydrogen 3.407 N/A SER 1033.A N ASP 1031.A OD1 no hydrogen 3.309 N/A SER 1033.A OG ASP 1031.A OD2 no hydrogen 2.624 N/A THR 1034.A N SER 1033.A OG no hydrogen 2.591 N/A ILE 1038.A N LEU 1029.A O no hydrogen 3.114 N/A ARG 1039.A NH2 GLU 755.A OE2 no hydrogen 3.375 N/A ILE 1041.A N ILE 1027.A O no hydrogen 3.001 N/A CYS 1045.A SG SER 1047.A O no hydrogen 3.301 N/A CYS 1045.A SG TYR 1068.A O no hydrogen 3.140 N/A ASN 1046.A N TYR 1068.A O no hydrogen 3.021 N/A ASN 1046.A ND2 ARG 1070.A O no hydrogen 2.537 N/A SER 1047.A OG GLY 1023.A O no hydrogen 3.238 N/A ARG 1049.A N LEU 1066.A O no hydrogen 2.580 N/A VAL 1050.A N LEU 1066.A O no hydrogen 3.369 N/A MET 1052.A N LEU 1064.A O no hydrogen 3.363 N/A ALA 1054.A N VAL 1062.A O no hydrogen 2.921 N/A LEU 1056.A N LEU 1059.A O no hydrogen 2.995 N/A LEU 1059.A N LEU 1056.A O no hydrogen 3.181 N/A MET 1063.A N TRP 1080.A O no hydrogen 2.897 N/A VAL 1065.A N THR 1078.A O no hydrogen 2.952 N/A LEU 1066.A N VAL 1050.A O no hydrogen 2.979 N/A GLY 1067.A N CYS 1076.A O no hydrogen 2.875 N/A TYR 1068.A N SER 1047.A O no hydrogen 2.685 N/A ILE 1073.A N ASN 768.A OD1 no hydrogen 3.090 N/A GLN 1074.A NE2 LEU 765.A O no hydrogen 2.460 N/A SER 1075.A OG VAL 769.A O no hydrogen 2.920 N/A CYS 1076.A N GLY 1067.A O no hydrogen 2.921 N/A CYS 1076.A SG ILE 763.A O no hydrogen 3.533 N/A LEU 1077.A N ILE 763.A O no hydrogen 2.883 N/A THR 1078.A N VAL 1065.A O no hydrogen 2.971 N/A TRP 1080.A N MET 1063.A O no hydrogen 3.212 N/A ASN 1083.A N ASP 1081.A OD1 no hydrogen 3.279 N/A LEU 1084.A N ASP 1081.A O no hydrogen 3.036 N/A GLU 1087.A N ASN 1083.A O no hydrogen 3.002 N/A GLU 1087.A N LEU 1084.A O no hydrogen 3.032 N/A VAL 1088.A N LEU 1084.A O no hydrogen 2.975 N/A ASN 1090.A N HIS 1086.A O no hydrogen 2.983 N/A LEU 1091.A N GLU 1087.A O no hydrogen 2.842 N/A GLU 1092.A N VAL 1088.A O no hydrogen 3.002 N/A LYS 1093.A N GLN 1089.A O no hydrogen 2.856 N/A HIS 1094.A N ASN 1090.A O no hydrogen 2.927 N/A HIS 1094.A ND1 ALA 628.A O no hydrogen 2.776 N/A ILE 1095.A N LEU 1091.A O no hydrogen 2.931 N/A GLU 1096.A N GLU 1092.A O no hydrogen 2.924 N/A VAL 1097.A N LYS 1093.A O no hydrogen 2.934 N/A ARG 1098.A N HIS 1094.A O no hydrogen 3.041 N/A ARG 1098.A NE ALA 629.A O no hydrogen 3.638 N/A LYS 1099.A N ILE 1095.A O no hydrogen 2.918 N/A GLU 1100.A N GLU 1096.A O no hydrogen 3.389 N/A LEU 1101.A N VAL 1097.A O no hydrogen 2.996 N/A ALA 1102.A N ARG 1098.A O no hydrogen 2.852 N/A GLU 1103.A N LYS 1099.A O no hydrogen 2.989 N/A LYS 1104.A N GLU 1100.A O no hydrogen 2.864 N/A MET 1105.A N LEU 1101.A O no hydrogen 2.918 N/A ARG 1106.A N ALA 1102.A O no hydrogen 2.976 N/A ARG 1106.A NH2 GLU 1103.A OE1 no hydrogen 2.734 N/A ARG 1107.A N GLU 1103.A O no hydrogen 2.914 N/A THR 1108.A N LYS 1104.A O no hydrogen 3.417 N/A THR 1108.A OG1 LYS 1104.A O no hydrogen 3.046 N/A SER 1109.A N MET 1105.A O no hydrogen 2.965 N/A VAL 1110.A N ARG 1107.A O no hydrogen 3.288 N/A GLU 1111.A N THR 1108.A O no hydrogen 3.026 N/A