Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2be5_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NE GLY 7.A O no hydrogen 3.051 N/A THR 19.A OG1 ASP 124.A O no hydrogen 3.356 N/A GLU 20.A N PRO 17.A O no hydrogen 3.185 N/A VAL 23.A N THR 19.A O no hydrogen 2.835 N/A GLU 24.A N GLU 20.A O no hydrogen 2.968 N/A SER 25.A N ILE 21.A O no hydrogen 3.298 N/A SER 25.A OG THR 335.A OG1 no hydrogen 2.634 N/A TYR 26.A OH PRO 119.A O no hydrogen 3.019 N/A ARG 28.A N GLU 24.A O no hydrogen 2.865 N/A ALA 29.A N SER 25.A O no hydrogen 2.792 N/A LEU 30.A N TYR 26.A O no hydrogen 3.231 N/A GLN 31.A NE2 TYR 71.A OH no hydrogen 3.253 N/A VAL 34.A N GLN 31.A O no hydrogen 3.236 N/A LYS 38.A N PRO 35.A O no hydrogen 3.200 N/A ARG 39.A NE ARG 39.A O no hydrogen 3.068 N/A ARG 39.A NH2 ASN 41.A OD1 no hydrogen 3.366 N/A ILE 44.A N ALA 29.A O no hydrogen 2.925 N/A ALA 47.A N GLY 43.A O no hydrogen 2.637 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 3.088 N/A GLU 50.A N ALA 46.A O no hydrogen 2.817 N/A THR 51.A N PHE 48.A O no hydrogen 3.041 N/A LYS 61.A NZ ASP 104.A OD1 no hydrogen 3.462 N/A GLY 63.A N GLU 56.A O no hydrogen 2.879 N/A LEU 64.A N GLU 56.A O no hydrogen 3.067 N/A ASP 67.A N GLN 99.A O no hydrogen 3.113 N/A LEU 69.A N ARG 97.A O no hydrogen 3.404 N/A CYS 83.A N PRO 79.A O no hydrogen 2.897 N/A CYS 83.A N GLN 80.A O no hydrogen 2.739 N/A CYS 83.A SG PRO 79.A O no hydrogen 3.018 N/A ARG 84.A N ASP 81.A O no hydrogen 2.853 N/A GLU 85.A N ASP 81.A O no hydrogen 2.867 N/A LYS 86.A N GLU 82.A O no hydrogen 2.928 N/A LYS 86.A NZ GLU 82.A OE2 no hydrogen 3.266 N/A LEU 88.A N CYS 83.A O no hydrogen 3.033 N/A TYR 90.A N ILE 128.A O no hydrogen 3.194 N/A ALA 92.A N ILE 118.A O no hydrogen 2.678 N/A TYR 95.A N ARG 72.A O no hydrogen 3.247 N/A ARG 97.A N GLU 70.A O no hydrogen 3.077 N/A GLN 99.A N ASP 67.A O no hydrogen 3.360 N/A LEU 100.A N ILE 108.A O no hydrogen 3.244 N/A ILE 101.A N VAL 65.A O no hydrogen 2.783 N/A HIS 102.A ND1 ILE 101.A O no hydrogen 2.892 N/A GLY 116.A N GLU 379.A OE1 no hydrogen 2.687 N/A HIS 117.A N GLU 379.A OE2 no hydrogen 2.679 N/A ILE 118.A N ALA 92.A O no hydrogen 3.198 N/A THR 122.A N SER 126.A O no hydrogen 2.751 N/A THR 122.A OG1 SER 126.A O no hydrogen 3.129 N/A GLY 125.A N THR 122.A O no hydrogen 2.921 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.499 N/A SER 126.A OG PHE 127.A O no hydrogen 3.003 N/A SER 126.A OG ARG 134.A O no hydrogen 3.320 N/A PHE 127.A N ARG 134.A O no hydrogen 2.732 N/A ALA 132.A N ASN 130.A O no hydrogen 2.654 N/A ARG 134.A N PHE 127.A O no hydrogen 3.009 N/A VAL 135.A N GLN 393.A O no hydrogen 2.648 N/A VAL 137.A N LEU 391.A O no hydrogen 3.346 N/A SER 138.A N ARG 409.A O no hydrogen 3.093 N/A SER 143.A N ASN 330.A O no hydrogen 2.844 N/A TYR 147.A N SER 161.A O no hydrogen 2.985 N/A TYR 147.A OH SER 143.A O no hydrogen 2.652 N/A PHE 148.A N ASP 323.A OD2 no hydrogen 3.499 N/A THR 149.A N ILE 159.A O no hydrogen 3.117 N/A ARG 154.A NH1 GLU 177.A OE2 no hydrogen 3.178 N/A ARG 157.A NE GLY 156.A O no hydrogen 3.477 N/A TYR 158.A OH LEU 313.A O no hydrogen 2.867 N/A ILE 159.A N THR 149.A O no hydrogen 3.009 N/A ALA 160.A N LEU 174.A O no hydrogen 3.043 N/A SER 161.A N TYR 147.A O no hydrogen 2.810 N/A SER 161.A OG TYR 147.A O no hydrogen 2.747 N/A ILE 162.A N ILE 172.A O no hydrogen 2.801 N/A ILE 163.A N GLY 145.A O no hydrogen 2.700 N/A ILE 172.A N ILE 162.A O no hydrogen 3.294 N/A LEU 174.A N ALA 160.A O no hydrogen 2.967 N/A GLU 175.A N SER 183.A O no hydrogen 2.832 N/A GLU 177.A N VAL 181.A O no hydrogen 3.037 N/A VAL 181.A N GLU 177.A O no hydrogen 3.336 N/A SER 183.A N GLU 175.A O no hydrogen 2.612 N/A SER 183.A OG GLU 175.A O no hydrogen 3.229 N/A SER 183.A OG GLU 175.A OE1 no hydrogen 3.338 N/A LYS 185.A N ASP 173.A O no hydrogen 3.197 N/A LYS 185.A NZ SER 183.A OG no hydrogen 3.099 N/A ARG 198.A N VAL 194.A O no hydrogen 2.834 N/A ARG 198.A NH1 ALA 228.A O no hydrogen 2.537 N/A VAL 199.A N LEU 195.A O no hydrogen 3.304 N/A LEU 200.A N LEU 196.A O no hydrogen 3.089 N/A GLY 201.A N LEU 197.A O no hydrogen 2.860 N/A TYR 202.A N LEU 197.A O no hydrogen 2.637 N/A GLN 204.A NE2 SER 225.A OG no hydrogen 2.948 N/A THR 206.A N ASP 203.A OD1 no hydrogen 2.922 N/A LEU 207.A N ASP 203.A O no hydrogen 3.017 N/A ALA 208.A N GLN 204.A O no hydrogen 3.089 N/A ARG 209.A N GLU 205.A O no hydrogen 3.186 N/A GLU 210.A N THR 206.A O no hydrogen 3.344 N/A LEU 211.A N LEU 207.A O no hydrogen 2.897 N/A GLY 212.A N ALA 208.A O no hydrogen 3.011 N/A GLY 215.A N GLY 212.A O no hydrogen 2.803 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.647 N/A VAL 218.A N GLY 215.A O no hydrogen 2.962 N/A GLN 219.A N GLU 216.A O no hydrogen 3.232 N/A GLY 220.A N LEU 217.A O no hydrogen 3.004 N/A LEU 221.A N VAL 218.A O no hydrogen 2.873 N/A MET 222.A N VAL 218.A O no hydrogen 3.249 N/A SER 225.A N ASP 223.A O no hydrogen 2.827 N/A SER 225.A OG MET 222.A O no hydrogen 3.066 N/A PHE 227.A N GLU 224.A O no hydrogen 3.361 N/A ARG 230.A N PHE 227.A O no hydrogen 3.398 N/A ALA 234.A N PRO 231.A O no hydrogen 2.587 N/A LEU 235.A N GLU 232.A O no hydrogen 3.195 N/A ARG 237.A N GLU 233.A O no hydrogen 2.895 N/A LEU 238.A N ALA 234.A O no hydrogen 2.974 N/A PHE 239.A N LEU 235.A O no hydrogen 3.240 N/A THR 240.A N ILE 236.A O no hydrogen 2.981 N/A THR 240.A OG1 ILE 236.A O no hydrogen 2.586 N/A THR 240.A OG1 ARG 237.A O no hydrogen 2.990 N/A LEU 241.A N ARG 237.A O no hydrogen 3.161 N/A LEU 242.A N LEU 238.A O no hydrogen 3.069 N/A TYR 256.A N ALA 253.A O no hydrogen 3.247 N/A GLY 259.A N TYR 256.A O no hydrogen 2.668 N/A ARG 265.A N THR 289.A OG1 no hydrogen 2.838 N/A GLU 271.A N ASP 268.A OD1 no hydrogen 3.030 N/A ARG 274.A NE GLU 278.A OE2 no hydrogen 2.727 N/A ARG 274.A NH2 GLU 278.A OE1 no hydrogen 2.929 N/A ARG 274.A NH2 GLU 278.A OE2 no hydrogen 3.129 N/A TYR 275.A OH THR 489.A OG1 no hydrogen 3.239 N/A LYS 276.A NZ SER 143.A OG no hydrogen 2.661 N/A LYS 276.A NZ PRO 144.A O no hydrogen 2.589 N/A LEU 281.A N ALA 277.A O no hydrogen 2.751 N/A THR 289.A OG1 ARG 265.A O no hydrogen 3.451 N/A ASP 295.A N GLU 294.A OE2 no hydrogen 3.018 N/A LYS 299.A NZ SER 286.A OG no hydrogen 2.946 N/A THR 306.A N VAL 302.A O no hydrogen 3.422 N/A THR 306.A OG1 PHE 303.A O no hydrogen 3.097 N/A ARG 308.A N LEU 304.A O no hydrogen 2.741 N/A TYR 309.A N PRO 305.A O no hydrogen 2.672 N/A LEU 310.A N THR 306.A O no hydrogen 2.947 N/A PHE 311.A N LEU 307.A O no hydrogen 2.743 N/A ALA 312.A N ARG 308.A O no hydrogen 2.962 N/A LEU 313.A N TYR 309.A O no hydrogen 2.582 N/A THR 314.A N LEU 310.A O no hydrogen 2.992 N/A THR 314.A OG1 LEU 310.A O no hydrogen 2.595 N/A ALA 315.A N ALA 312.A O no hydrogen 3.173 N/A VAL 322.A N HIS 320.A O no hydrogen 3.036 N/A HIS 327.A N ASP 324.A O no hydrogen 2.890 N/A HIS 327.A NE2 ASP 492.A OD1 no hydrogen 2.699 N/A ASN 330.A N HIS 327.A O no hydrogen 2.821 N/A ARG 331.A N LEU 328.A O no hydrogen 3.027 N/A ARG 332.A NH1 HIS 141.A NE2 no hydrogen 3.095 N/A ILE 333.A N GLY 465.A O no hydrogen 2.450 N/A ARG 334.A N GLN 139.A O no hydrogen 3.497 N/A ARG 334.A NE GLU 338.A OE2 no hydrogen 2.722 N/A ARG 334.A NH2 GLU 338.A OE1 no hydrogen 3.372 N/A ARG 334.A NH2 GLU 338.A OE2 no hydrogen 2.864 N/A THR 335.A OG1 SER 25.A OG no hydrogen 2.634 N/A GLY 337.A N SER 25.A OG no hydrogen 2.417 N/A GLU 338.A N THR 335.A O no hydrogen 2.884 N/A MET 340.A N VAL 336.A O no hydrogen 3.024 N/A MET 340.A N GLY 337.A O no hydrogen 3.183 N/A THR 341.A N GLY 337.A O no hydrogen 2.707 N/A ASP 342.A N GLU 338.A O no hydrogen 2.950 N/A GLN 343.A NE2 LEU 339.A O no hydrogen 3.686 N/A PHE 344.A N MET 340.A O no hydrogen 2.855 N/A ARG 345.A N THR 341.A O no hydrogen 2.895 N/A ARG 345.A NE ASP 342.A OD1 no hydrogen 2.899 N/A ARG 345.A NH1 GLU 50.A OE2 no hydrogen 3.521 N/A VAL 346.A N ASP 342.A O no hydrogen 2.864 N/A GLY 347.A N GLN 343.A O no hydrogen 3.113 N/A LEU 348.A N PHE 344.A O no hydrogen 2.994 N/A ALA 349.A N ARG 345.A O no hydrogen 2.937 N/A ARG 350.A N VAL 346.A O no hydrogen 3.165 N/A LEU 351.A N GLY 347.A O no hydrogen 2.844 N/A ALA 352.A N LEU 348.A O no hydrogen 2.786 N/A ARG 353.A N ALA 349.A O no hydrogen 2.751 N/A GLY 354.A N ARG 350.A O no hydrogen 3.410 N/A VAL 355.A N LEU 351.A O no hydrogen 3.012 N/A ARG 356.A N ALA 352.A O no hydrogen 3.425 N/A ARG 358.A N VAL 355.A O no hydrogen 2.957 N/A ARG 358.A NE LYS 371.A O no hydrogen 2.850 N/A MET 359.A N ARG 356.A O no hydrogen 3.071 N/A GLY 362.A N ARG 358.A O no hydrogen 3.354 N/A THR 368.A OG1 ILE 108.A O no hydrogen 3.412 N/A VAL 373.A N PRO 369.A O no hydrogen 3.140 N/A SER 375.A OG PHE 114.A O no hydrogen 3.187 N/A GLU 379.A N SER 375.A O no hydrogen 3.373 N/A ALA 380.A N ARG 376.A O no hydrogen 3.222 N/A ALA 381.A N PRO 377.A O no hydrogen 2.765 N/A ILE 382.A N LEU 378.A O no hydrogen 2.968 N/A ARG 383.A N GLU 379.A O no hydrogen 2.746 N/A GLU 384.A N ALA 380.A O no hydrogen 2.896 N/A PHE 385.A N ALA 381.A O no hydrogen 3.361 N/A PHE 385.A N ILE 382.A O no hydrogen 3.115 N/A PHE 386.A N ILE 382.A O no hydrogen 3.370 N/A PHE 386.A N ARG 383.A O no hydrogen 3.274 N/A SER 387.A N ARG 383.A O no hydrogen 3.162 N/A SER 387.A OG ARG 383.A O no hydrogen 2.739 N/A ARG 388.A N GLU 384.A O no hydrogen 2.815 N/A ARG 388.A NH1 SER 387.A OG no hydrogen 3.150 N/A LEU 391.A N SER 389.A OG no hydrogen 3.171 N/A SER 392.A OG VAL 135.A O no hydrogen 3.461 N/A GLN 393.A N VAL 135.A O no hydrogen 2.626 N/A LYS 395.A N ASP 133.A O no hydrogen 2.697 N/A LYS 395.A NZ ASP 124.A OD1 no hydrogen 3.335 N/A THR 398.A OG1 GLN 633.A OE1 no hydrogen 2.831 N/A ASN 399.A ND2 GLN 565.A O no hydrogen 3.296 N/A ASN 399.A ND2 ALA 568.A O no hydrogen 2.719 N/A LEU 401.A N ASN 399.A OD1 no hydrogen 3.280 N/A SER 402.A N ASN 399.A O no hydrogen 2.582 N/A SER 402.A OG ASP 396.A OD1 no hydrogen 2.459 N/A SER 402.A OG ASP 396.A OD2 no hydrogen 3.083 N/A SER 402.A OG THR 566.A O no hydrogen 2.725 N/A SER 403.A OG GLU 397.A OE1 no hydrogen 3.246 N/A SER 403.A OG PRO 400.A O no hydrogen 2.818 N/A LEU 404.A N PRO 400.A O no hydrogen 2.914 N/A ARG 405.A N LEU 401.A O no hydrogen 3.029 N/A ARG 405.A NH1 GLU 442.A OE1 no hydrogen 3.451 N/A HIS 406.A N SER 402.A O no hydrogen 3.045 N/A LYS 407.A N LEU 404.A O no hydrogen 3.196 N/A ARG 408.A N ARG 405.A O no hydrogen 2.802 N/A ARG 408.A NH2 LEU 18.A O no hydrogen 3.497 N/A ARG 409.A N ARG 405.A O no hydrogen 2.938 N/A ILE 410.A N THR 453.A O no hydrogen 2.769 N/A SER 411.A N SER 138.A O no hydrogen 2.630 N/A ARG 420.A NH2 GLY 416.A O no hydrogen 3.483 N/A VAL 427.A N GLY 424.A O no hydrogen 2.651 N/A ARG 428.A N GLY 424.A O no hydrogen 2.835 N/A HIS 434.A N HIS 431.A O no hydrogen 3.101 N/A TYR 435.A OH GLN 498.A OE1 no hydrogen 2.741 N/A TYR 435.A OH ASP 533.A OD1 no hydrogen 2.938 N/A TYR 435.A OH ASP 533.A OD2 no hydrogen 2.579 N/A ARG 437.A N HIS 434.A O no hydrogen 3.368 N/A ARG 437.A NH1 THR 433.A O no hydrogen 2.809 N/A ARG 437.A NH1 GLU 491.A OE2 no hydrogen 2.629 N/A ILE 438.A N HIS 434.A O no hydrogen 2.922 N/A CYS 439.A SG SER 541.A OG no hydrogen 3.739 N/A CYS 439.A SG THR 544.A OG1 no hydrogen 3.559 N/A THR 443.A OG1 ILE 452.A O no hydrogen 2.471 N/A LEU 451.A N ILE 449.A O no hydrogen 2.609 N/A THR 453.A N ILE 410.A O no hydrogen 2.576 N/A THR 453.A OG1 SER 454.A O no hydrogen 3.057 N/A SER 454.A OG GLU 442.A OE1 no hydrogen 3.170 N/A ALA 457.A N PHE 540.A O no hydrogen 2.699 N/A TYR 458.A OH ILE 13.A O no hydrogen 2.560 N/A ARG 460.A NH1 TYR 485.A OH no hydrogen 3.386 N/A ARG 468.A N ARG 460.A O no hydrogen 3.352 N/A ARG 468.A NE THR 487.A OG1 no hydrogen 3.419 N/A THR 469.A N MET 486.A O no hydrogen 3.289 N/A THR 469.A OG1 TYR 435.A O no hydrogen 3.402 N/A TYR 471.A N VAL 484.A O no hydrogen 3.335 N/A TYR 471.A OH GLU 491.A OE1 no hydrogen 2.534 N/A ARG 472.A NH1 THR 480.A O no hydrogen 3.234 N/A ARG 473.A N GLU 482.A O no hydrogen 3.404 N/A VAL 474.A N GLU 530.A O no hydrogen 2.877 N/A VAL 478.A N VAL 475.A O no hydrogen 3.148 N/A VAL 479.A N ASN 506.A O no hydrogen 2.563 N/A THR 480.A N ARG 473.A O no hydrogen 2.791 N/A THR 480.A OG1 ARG 473.A O no hydrogen 2.871 N/A VAL 484.A N TYR 471.A O no hydrogen 3.119 N/A MET 486.A N THR 469.A O no hydrogen 3.261 N/A THR 489.A OG1 TYR 275.A OH no hydrogen 3.239 N/A GLU 491.A N THR 487.A O no hydrogen 3.183 N/A ASP 492.A N THR 489.A O no hydrogen 3.184 N/A ARG 493.A N GLU 490.A O no hydrogen 2.932 N/A TYR 494.A N GLU 491.A O no hydrogen 3.437 N/A THR 495.A N GLU 530.A OE2 no hydrogen 2.932 N/A THR 495.A OG1 GLU 528.A O no hydrogen 2.599 N/A ALA 497.A N PHE 531.A O no hydrogen 2.737 N/A GLN 498.A NE2 TYR 435.A OH no hydrogen 2.683 N/A THR 501.A OG1 GLN 498.A O no hydrogen 3.481 N/A GLU 504.A N ARG 507.A O no hydrogen 2.997 N/A ARG 507.A NH1 GLU 504.A OE1 no hydrogen 3.055 N/A VAL 513.A N VAL 524.A O no hydrogen 3.275 N/A ALA 515.A N VAL 522.A O no hydrogen 2.887 N/A ARG 516.A N ILE 496.A O no hydrogen 2.642 N/A VAL 522.A N ALA 515.A O no hydrogen 2.625 N/A VAL 524.A N VAL 513.A O no hydrogen 3.169 N/A SER 525.A N GLU 528.A OE2 no hydrogen 2.958 N/A SER 525.A OG GLU 527.A OE1 no hydrogen 3.496 N/A SER 525.A OG GLU 528.A OE2 no hydrogen 3.216 N/A GLU 528.A N SER 525.A O no hydrogen 2.873 N/A VAL 529.A N SER 525.A O no hydrogen 3.265 N/A GLU 530.A N THR 495.A OG1 no hydrogen 3.307 N/A PHE 531.A N THR 495.A O no hydrogen 3.161 N/A MET 532.A N ARG 472.A O no hydrogen 2.820 N/A ASP 533.A N ALA 497.A O no hydrogen 2.696 N/A LYS 537.A NZ GLU 11.A OE1 no hydrogen 3.247 N/A GLN 538.A N SER 535.A OG no hydrogen 2.884 N/A GLN 538.A NE2 PRO 470.A O no hydrogen 3.471 N/A GLN 538.A NE2 ASP 533.A OD2 no hydrogen 3.016 N/A PHE 540.A N LYS 537.A O no hydrogen 3.100 N/A SER 541.A OG GLU 442.A OE2 no hydrogen 2.826 N/A ASN 543.A ND2 SER 562.A O no hydrogen 2.581 N/A THR 544.A N SER 541.A O no hydrogen 3.205 N/A THR 544.A N SER 541.A OG no hydrogen 3.251 N/A THR 544.A OG1 GLU 442.A OE2 no hydrogen 3.047 N/A THR 544.A OG1 SER 541.A OG no hydrogen 2.744 N/A THR 544.A OG1 SER 562.A OG no hydrogen 2.888 N/A ASN 545.A N SER 541.A O no hydrogen 2.750 N/A ASN 545.A ND2 LYS 537.A O no hydrogen 3.379 N/A ASN 545.A ND2 PHE 540.A O no hydrogen 3.556 N/A ASN 545.A ND2 SER 541.A O no hydrogen 2.613 N/A ILE 547.A N THR 544.A O no hydrogen 2.923 N/A HIS 552.A N PHE 549.A O no hydrogen 2.955 N/A ASP 553.A N LEU 550.A O no hydrogen 2.944 N/A ASP 554.A N MET 880.A O no hydrogen 2.401 N/A ASN 556.A N ASP 554.A OD1 no hydrogen 2.876 N/A ASN 556.A ND2 ASP 554.A OD2 no hydrogen 2.999 N/A ALA 558.A N ASP 554.A O no hydrogen 3.007 N/A LEU 559.A N ASN 556.A O no hydrogen 3.261 N/A GLY 561.A N ARG 557.A O no hydrogen 3.154 N/A SER 562.A N ALA 558.A O no hydrogen 2.965 N/A SER 562.A OG THR 544.A OG1 no hydrogen 2.888 N/A SER 562.A OG ALA 558.A O no hydrogen 3.500 N/A ASN 563.A N LEU 559.A O no hydrogen 2.814 N/A ASN 563.A ND2 GLU 442.A O no hydrogen 3.700 N/A MET 564.A N MET 560.A O no hydrogen 2.726 N/A GLN 565.A N GLY 561.A O no hydrogen 3.393 N/A THR 566.A OG1 SER 562.A O no hydrogen 3.302 N/A THR 566.A OG1 ASN 563.A O no hydrogen 2.565 N/A GLN 567.A N MET 564.A O no hydrogen 2.794 N/A ALA 568.A N GLN 565.A O no hydrogen 2.982 N/A VAL 569.A N LYS 996.A O no hydrogen 3.436 N/A ILE 572.A N THR 701.A O no hydrogen 3.283 N/A ALA 576.A N GLU 662.A OE2 no hydrogen 3.263 N/A MET 580.A N TYR 901.A O no hydrogen 3.040 N/A THR 581.A N GLU 584.A OE2 no hydrogen 2.758 N/A THR 581.A OG1 ASN 545.A O no hydrogen 2.799 N/A THR 581.A OG1 GLU 584.A OE2 no hydrogen 3.142 N/A GLY 582.A N GLU 584.A OE2 no hydrogen 3.010 N/A GLU 585.A N GLU 585.A OE2 no hydrogen 2.513 N/A ARG 586.A NH1 ASP 590.A OD2 no hydrogen 3.220 N/A VAL 587.A N LEU 583.A O no hydrogen 2.645 N/A VAL 588.A N GLU 584.A O no hydrogen 3.218 N/A ARG 589.A N GLU 585.A O no hydrogen 2.960 N/A ASP 590.A N ARG 586.A O no hydrogen 2.754 N/A SER 591.A N VAL 587.A O no hydrogen 2.705 N/A SER 591.A OG VAL 587.A O no hydrogen 2.800 N/A SER 591.A OG VAL 588.A O no hydrogen 2.792 N/A LEU 595.A N ALA 656.A O no hydrogen 3.274 N/A ALA 597.A N ASP 653.A O no hydrogen 3.167 N/A GLU 598.A N TYR 615.A OH no hydrogen 3.064 N/A GLY 601.A N VAL 649.A O no hydrogen 3.329 N/A GLU 602.A N ARG 614.A O no hydrogen 2.596 N/A ALA 604.A N VAL 612.A O no hydrogen 2.866 N/A LYS 605.A N VAL 612.A O no hydrogen 3.211 N/A ASP 607.A N ARG 610.A O no hydrogen 2.731 N/A ILE 611.A N TYR 623.A O no hydrogen 3.149 N/A VAL 612.A N LYS 605.A O no hydrogen 3.118 N/A VAL 613.A N VAL 621.A O no hydrogen 3.056 N/A ARG 614.A N GLU 602.A O no hydrogen 2.591 N/A TYR 615.A N ARG 619.A O no hydrogen 2.684 N/A TYR 615.A OH GLU 598.A OE1 no hydrogen 3.214 N/A TYR 615.A OH TYR 623.A OH no hydrogen 2.689 N/A GLU 616.A N ASP 600.A O no hydrogen 2.963 N/A GLY 618.A N TYR 615.A O no hydrogen 3.453 N/A ARG 619.A N ASP 617.A OD1 no hydrogen 2.888 N/A ARG 619.A NE ASP 617.A OD2 no hydrogen 3.344 N/A VAL 621.A N VAL 613.A O no hydrogen 2.972 N/A GLU 622.A N GLU 622.A OE2 no hydrogen 3.249 N/A TYR 623.A N ILE 611.A O no hydrogen 3.253 N/A TYR 623.A OH TYR 615.A OH no hydrogen 2.689 N/A SER 631.A OG THR 635.A O no hydrogen 2.914 N/A SER 631.A OG THR 635.A OG1 no hydrogen 2.507 N/A ASN 632.A ND2 ASP 133.A O no hydrogen 3.612 N/A GLN 633.A NE2 LYS 395.A O no hydrogen 3.321 N/A GLY 634.A N SER 631.A O no hydrogen 2.690 N/A THR 635.A N SER 631.A OG no hydrogen 2.426 N/A THR 635.A OG1 GLU 397.A O no hydrogen 3.385 N/A THR 635.A OG1 THR 398.A O no hydrogen 2.788 N/A THR 635.A OG1 SER 631.A OG no hydrogen 2.507 N/A LEU 637.A N TYR 629.A O no hydrogen 3.376 N/A ARG 640.A NH2 ILE 572.A O no hydrogen 2.633 N/A ARG 642.A N LEU 655.A O no hydrogen 2.863 N/A ARG 642.A NH1 PRO 641.A O no hydrogen 2.879 N/A VAL 644.A N GLN 647.A OE1 no hydrogen 2.894 N/A VAL 649.A N GLY 601.A O no hydrogen 2.689 N/A ARG 650.A NE ASP 653.A OD2 no hydrogen 2.660 N/A GLY 652.A N ALA 597.A O no hydrogen 2.592 N/A LEU 655.A N LEU 595.A O no hydrogen 2.906 N/A ASP 657.A N ARG 640.A O no hydrogen 2.892 N/A SER 661.A N GLY 658.A O no hydrogen 3.405 N/A SER 661.A OG ASP 657.A OD1 no hydrogen 2.554 N/A SER 661.A OG GLY 658.A O no hydrogen 3.508 N/A GLY 664.A N ASP 657.A OD1 no hydrogen 2.884 N/A GLN 670.A N ILE 994.A O no hydrogen 2.975 N/A ASN 671.A ND2 ALA 576.A O no hydrogen 2.746 N/A VAL 672.A N MET 992.A O no hydrogen 3.135 N/A VAL 674.A N GLY 990.A O no hydrogen 2.721 N/A ALA 675.A N VAL 869.A O no hydrogen 3.151 N/A ILE 676.A N VAL 988.A O no hydrogen 3.249 N/A PHE 679.A N ASN 683.A OD1 no hydrogen 2.882 N/A ASN 683.A ND2 MET 677.A O no hydrogen 2.898 N/A ILE 688.A N VAL 848.A O no hydrogen 2.600 N/A ILE 690.A N LYS 851.A O no hydrogen 2.952 N/A SER 691.A N ASP 868.A O no hydrogen 2.577 N/A GLU 692.A N LEU 853.A O no hydrogen 2.603 N/A GLU 693.A N SER 691.A OG no hydrogen 3.278 N/A LEU 694.A N SER 691.A O no hydrogen 2.677 N/A LEU 695.A N GLU 692.A O no hydrogen 2.575 N/A LYS 696.A N GLU 692.A O no hydrogen 3.330 N/A LYS 696.A NZ GLU 693.A OE1 no hydrogen 3.521 N/A ARG 697.A NH2 ASP 868.A OD2 no hydrogen 3.189 N/A PHE 699.A N ARG 697.A O no hydrogen 2.542 N/A TYR 700.A OH GLN 670.A O no hydrogen 2.882 N/A TYR 700.A OH ILE 994.A O no hydrogen 3.050 N/A SER 702.A N ARG 831.A O no hydrogen 2.758 N/A HIS 704.A N GLN 829.A O no hydrogen 2.755 N/A GLU 706.A N VAL 827.A O no hydrogen 3.016 N/A ARG 707.A NE ARG 707.A O no hydrogen 3.078 N/A TYR 708.A OH GLU 796.A O no hydrogen 2.989 N/A ILE 710.A N VAL 823.A O no hydrogen 3.293 N/A ALA 712.A N GLU 821.A O no hydrogen 2.945 N/A ARG 713.A N GLU 720.A OE1 no hydrogen 2.573 N/A ASP 714.A N GLY 818.A O no hydrogen 3.245 N/A THR 715.A OG1 GLY 718.A O no hydrogen 2.915 N/A LEU 717.A N THR 715.A OG1 no hydrogen 3.213 N/A GLY 718.A N THR 715.A O no hydrogen 2.936 N/A GLU 720.A N ARG 713.A O no hydrogen 3.076 N/A ARG 721.A N THR 759.A O no hydrogen 2.898 N/A THR 723.A OG1 GLU 740.A OE2 no hydrogen 3.568 N/A ARG 724.A NE ASP 738.A O no hydrogen 3.296 N/A ARG 724.A NH2 GLU 731.A OE2 no hydrogen 2.713 N/A LEU 734.A N GLU 731.A O no hydrogen 2.777 N/A ARG 744.A N ASP 736.A O no hydrogen 2.839 N/A GLY 746.A N VAL 800.A O no hydrogen 2.563 N/A ALA 747.A N ARG 744.A O no hydrogen 3.221 N/A VAL 749.A N GLY 798.A O no hydrogen 2.732 N/A LYS 750.A N ASP 753.A OD2 no hydrogen 2.961 N/A LYS 750.A NZ GLU 796.A OE1 no hydrogen 3.118 N/A LYS 750.A NZ GLU 796.A OE2 no hydrogen 3.312 N/A GLY 752.A N VAL 792.A O no hydrogen 2.898 N/A ASP 753.A N LYS 750.A O no hydrogen 3.284 N/A LEU 755.A N LEU 790.A O no hydrogen 2.903 N/A VAL 756.A N LEU 790.A O no hydrogen 3.232 N/A GLY 757.A N GLY 741.A O no hydrogen 3.407 N/A ARG 758.A N SER 789.A OG no hydrogen 2.949 N/A THR 759.A N ARG 721.A O no hydrogen 2.537 N/A THR 759.A OG1 ARG 721.A O no hydrogen 2.969 N/A SER 760.A N LYS 786.A O no hydrogen 3.157 N/A SER 760.A OG THR 788.A OG1 no hydrogen 3.254 N/A LYS 762.A NZ ASP 784.A O no hydrogen 3.025 N/A ARG 775.A N GLU 771.A O no hydrogen 3.336 N/A SER 776.A N ARG 772.A O no hydrogen 3.269 N/A SER 776.A OG ARG 772.A O no hydrogen 2.561 N/A ILE 777.A N LEU 773.A O no hydrogen 2.901 N/A PHE 778.A N LEU 774.A O no hydrogen 3.368 N/A GLY 779.A N ARG 775.A O no hydrogen 2.613 N/A LYS 786.A N SER 760.A O no hydrogen 2.658 N/A THR 788.A N ARG 758.A O no hydrogen 3.343 N/A THR 788.A OG1 SER 760.A OG no hydrogen 3.254 N/A SER 789.A OG ARG 758.A O no hydrogen 3.375 N/A SER 789.A OG ASP 787.A OD1 no hydrogen 2.966 N/A VAL 792.A N ASP 753.A O no hydrogen 3.001 N/A GLY 797.A N GLU 796.A OE2 no hydrogen 3.017 N/A ILE 799.A N ALA 828.A O no hydrogen 2.995 N/A VAL 800.A N ALA 747.A O no hydrogen 3.180 N/A VAL 801.A N TYR 826.A O no hydrogen 2.906 N/A VAL 804.A N ARG 824.A O no hydrogen 2.924 N/A LEU 806.A N VAL 822.A O no hydrogen 3.177 N/A ASP 810.A N ARG 808.A O no hydrogen 2.902 N/A LYS 816.A NZ GLU 711.A OE2 no hydrogen 2.967 N/A VAL 819.A N LYS 816.A O no hydrogen 3.286 N/A ARG 820.A N ALA 712.A O no hydrogen 3.051 N/A VAL 823.A N ILE 710.A O no hydrogen 3.044 N/A ARG 824.A N VAL 804.A O no hydrogen 2.721 N/A VAL 825.A N TYR 708.A O no hydrogen 2.880 N/A TYR 826.A N ARG 802.A O no hydrogen 2.859 N/A VAL 827.A N GLU 706.A O no hydrogen 3.203 N/A ALA 828.A N ILE 799.A O no hydrogen 3.224 N/A GLN 829.A N HIS 704.A O no hydrogen 2.598 N/A GLN 829.A NE2 LYS 830.A O no hydrogen 2.869 N/A ARG 831.A N SER 702.A O no hydrogen 2.601 N/A ARG 831.A NE HIS 704.A ND1 no hydrogen 2.704 N/A LEU 833.A N TYR 700.A O no hydrogen 2.823 N/A ASP 837.A N GLN 834.A O no hydrogen 2.882 N/A LYS 838.A NZ TYR 998.A O no hydrogen 3.477 N/A LEU 839.A N GLY 847.A O no hydrogen 2.899 N/A ALA 840.A N MET 995.A O no hydrogen 2.964 N/A ARG 842.A NH1 LEU 546.A O no hydrogen 3.086 N/A ARG 842.A NH1 VAL 579.A O no hydrogen 3.470 N/A ARG 842.A NH2 VAL 579.A O no hydrogen 2.595 N/A ARG 842.A NH2 GLU 887.A OE1 no hydrogen 2.803 N/A ASN 845.A ND2 GLN 884.A OE1 no hydrogen 2.750 N/A GLY 847.A N LEU 839.A O no hydrogen 3.198 N/A VAL 849.A N ASP 837.A O no hydrogen 2.989 N/A ALA 850.A N ILE 688.A O no hydrogen 2.797 N/A LEU 853.A N ILE 690.A O no hydrogen 2.615 N/A ASP 857.A N PRO 854.A O no hydrogen 3.079 N/A HIS 860.A N TYR 975.A O no hydrogen 3.164 N/A LEU 861.A N THR 865.A O no hydrogen 3.054 N/A THR 865.A OG1 TYR 895.A OH no hydrogen 3.128 N/A VAL 867.A N PRO 859.A O no hydrogen 3.190 N/A ASP 868.A N LEU 673.A O no hydrogen 3.114 N/A ILE 870.A N VAL 689.A O no hydrogen 3.065 N/A LEU 871.A N ALA 675.A O no hydrogen 2.994 N/A VAL 876.A N PRO 873.A O no hydrogen 2.587 N/A ARG 879.A NH1 GLY 875.A O no hydrogen 3.472 N/A LEU 882.A N HIS 552.A O no hydrogen 3.201 N/A GLY 883.A N ASP 553.A OD2 no hydrogen 2.422 N/A GLN 884.A NE2 ASN 881.A O no hydrogen 3.304 N/A LEU 886.A N LEU 882.A O no hydrogen 2.786 N/A LEU 886.A N GLY 883.A O no hydrogen 3.102 N/A GLU 887.A N GLY 883.A O no hydrogen 2.834 N/A THR 888.A N GLN 884.A O no hydrogen 2.982 N/A THR 888.A OG1 GLN 884.A O no hydrogen 3.121 N/A LEU 890.A N LEU 886.A O no hydrogen 3.308 N/A GLY 891.A N GLU 887.A O no hydrogen 2.745 N/A LEU 892.A N THR 888.A O no hydrogen 2.935 N/A ALA 893.A N HIS 889.A O no hydrogen 3.441 N/A GLY 894.A N LEU 890.A O no hydrogen 3.029 N/A TYR 895.A N GLY 891.A O no hydrogen 2.931 N/A TYR 895.A N LEU 892.A O no hydrogen 3.268 N/A TYR 895.A OH THR 865.A OG1 no hydrogen 3.128 N/A LEU 897.A N ALA 893.A O no hydrogen 2.776 N/A GLY 898.A N TYR 895.A O no hydrogen 3.313 N/A GLN 899.A N GLY 894.A O no hydrogen 3.031 N/A ARG 900.A N GLU 2.A O no hydrogen 3.293 N/A TYR 901.A N VAL 578.A O no hydrogen 2.929 N/A SER 903.A N MET 580.A O no hydrogen 2.689 N/A ALA 909.A N SER 903.A OG no hydrogen 2.945 N/A LYS 910.A NZ PHE 906.A O no hydrogen 3.328 N/A ILE 914.A N LYS 910.A O no hydrogen 3.054 N/A LYS 915.A N GLU 911.A O no hydrogen 3.222 N/A GLU 916.A N PRO 912.A O no hydrogen 2.924 N/A LEU 917.A N GLU 913.A O no hydrogen 3.114 N/A LEU 918.A N ILE 914.A O no hydrogen 2.870 N/A ALA 919.A N LYS 915.A O no hydrogen 2.927 N/A GLN 920.A N GLU 916.A O no hydrogen 3.259 N/A ALA 921.A N LEU 917.A O no hydrogen 2.897 N/A PHE 922.A N LEU 918.A O no hydrogen 2.888 N/A GLU 923.A N GLN 920.A O no hydrogen 3.223 N/A TYR 925.A N ALA 921.A O no hydrogen 2.740 N/A PHE 926.A N PHE 922.A O no hydrogen 2.685 N/A GLY 927.A N GLU 923.A O no hydrogen 2.610 N/A ARG 929.A NH2 GLY 935.A O no hydrogen 2.645 N/A LYS 930.A N PHE 926.A O no hydrogen 3.061 N/A LYS 930.A NZ GLU 923.A OE1 no hydrogen 3.325 N/A GLY 931.A N GLY 927.A O no hydrogen 3.191 N/A GLU 932.A N LYS 928.A O no hydrogen 2.613 N/A GLY 933.A N LYS 930.A O no hydrogen 3.272 N/A PHE 934.A N ARG 929.A O no hydrogen 3.243 N/A ASP 937.A N GLU 940.A OE2 no hydrogen 3.172 N/A VAL 941.A N ASP 937.A O no hydrogen 3.024 N/A GLU 942.A N LYS 938.A O no hydrogen 2.803 N/A VAL 943.A N ARG 939.A O no hydrogen 2.896 N/A LEU 944.A N GLU 940.A O no hydrogen 3.318 N/A ARG 945.A N VAL 941.A O no hydrogen 2.964 N/A ARG 946.A N GLU 942.A O no hydrogen 3.343 N/A ALA 947.A N VAL 943.A O no hydrogen 2.818 N/A GLU 948.A N LEU 944.A O no hydrogen 2.837 N/A LYS 949.A N ARG 945.A O no hydrogen 3.156 N/A LEU 950.A N ALA 947.A O no hydrogen 3.293 N/A GLY 951.A N ALA 947.A O no hydrogen 2.904 N/A LEU 952.A N ALA 947.A O no hydrogen 3.051 N/A THR 954.A N GLU 965.A OE1 no hydrogen 2.904 N/A THR 954.A OG1 GLU 965.A OE1 no hydrogen 3.147 N/A THR 954.A OG1 GLU 965.A OE2 no hydrogen 2.854 N/A LYS 957.A N THR 954.A O no hydrogen 3.405 N/A LYS 957.A NZ GLU 965.A OE2 no hydrogen 2.804 N/A GLU 960.A N THR 958.A OG1 no hydrogen 3.158 N/A GLN 962.A N THR 958.A O no hydrogen 2.616 N/A GLN 962.A NE2 THR 954.A O no hydrogen 3.408 N/A LEU 963.A N PRO 959.A O no hydrogen 2.809 N/A LYS 964.A N GLU 960.A O no hydrogen 3.307 N/A LYS 964.A NZ GLU 961.A OE2 no hydrogen 3.546 N/A GLU 965.A N GLU 961.A O no hydrogen 3.276 N/A LEU 966.A N GLN 962.A O no hydrogen 2.838 N/A PHE 967.A N LEU 963.A O no hydrogen 2.604 N/A LEU 968.A N LYS 964.A O no hydrogen 2.782 N/A GLN 969.A N GLU 965.A O no hydrogen 3.145 N/A GLY 970.A N PHE 967.A O no hydrogen 2.527 N/A VAL 972.A N ILE 987.A O no hydrogen 2.800 N/A TYR 975.A N HIS 860.A O no hydrogen 2.912 N/A ASP 976.A N GLU 981.A O no hydrogen 2.697 N/A THR 979.A OG1 GLU 981.A OE1 no hydrogen 2.893 N/A THR 979.A OG1 GLU 981.A OE2 no hydrogen 2.748 N/A ILE 983.A N LEU 974.A O no hydrogen 2.876 N/A ILE 987.A N VAL 972.A O no hydrogen 3.049 N/A GLY 990.A N VAL 674.A O no hydrogen 3.070 N/A MET 992.A N VAL 672.A O no hydrogen 3.114 N/A ILE 994.A N GLN 670.A O no hydrogen 3.351 N/A LYS 996.A NZ SER 702.A OG no hydrogen 2.663 N/A LEU 997.A N LYS 838.A O no hydrogen 2.838 N/A TYR 998.A N GLN 567.A O no hydrogen 3.037 N/A LYS 1004.A N VAL 1001.A O no hydrogen 3.195 N/A ARG 1008.A NH2 PRO 1012.A O no hydrogen 3.563 N/A SER 1014.A N GLN 1019.A O no hydrogen 3.224 N/A LEU 1021.A N PRO 1012.A O no hydrogen 3.410 N/A GLY 1023.A N GLN 1026.A O no hydrogen 3.213 N/A GLU 1036.A N GLY 1033.A O no hydrogen 2.754 N/A VAL 1037.A N GLY 1033.A O no hydrogen 2.743 N/A TRP 1038.A N GLU 1034.A O no hydrogen 3.031 N/A LEU 1040.A N GLU 1036.A O no hydrogen 3.255 N/A LEU 1040.A N VAL 1037.A O no hydrogen 2.726 N/A GLU 1041.A N VAL 1037.A O no hydrogen 2.677 N/A ALA 1042.A N TRP 1038.A O no hydrogen 2.561 N/A TYR 1043.A N ALA 1039.A O no hydrogen 3.438 N/A LEU 1049.A N ALA 1046.A O no hydrogen 3.206 N/A GLN 1050.A N ALA 1046.A O no hydrogen 2.906 N/A GLU 1051.A N HIS 1047.A O no hydrogen 2.665 N/A MET 1052.A N THR 1048.A O no hydrogen 3.306 N/A LEU 1053.A N LEU 1049.A O no hydrogen 3.179 N/A LEU 1053.A N GLN 1050.A O no hydrogen 2.645 N/A THR 1054.A N GLN 1050.A O no hydrogen 2.583 N/A THR 1054.A N GLU 1051.A O no hydrogen 3.116 N/A THR 1054.A OG1 GLN 1050.A O no hydrogen 2.416 N/A LYS 1056.A N GLU 1051.A O no hydrogen 2.914 N/A LYS 1056.A NZ GLU 1051.A OE1 no hydrogen 2.588 N/A SER 1057.A N THR 1054.A O no hydrogen 3.201 N/A ASP 1058.A N THR 1054.A O no hydrogen 3.217 N/A ASP 1059.A N THR 1054.A O no hydrogen 2.864 N/A GLY 1062.A N ASP 1059.A OD1 no hydrogen 2.543 N/A ARG 1063.A N ASP 1059.A O no hydrogen 2.702 N/A ALA 1065.A N GLU 1061.A O no hydrogen 3.315 N/A ALA 1066.A N GLY 1062.A O no hydrogen 2.818 N/A TYR 1067.A N ARG 1063.A O no hydrogen 2.967 N/A GLU 1068.A N ASN 1064.A O no hydrogen 3.254 N/A ALA 1069.A N ALA 1065.A O no hydrogen 2.966 N/A ILE 1070.A N ALA 1066.A O no hydrogen 2.904 N/A ILE 1071.A N TYR 1067.A O no hydrogen 2.762 N/A LYS 1072.A N GLU 1068.A O no hydrogen 3.029 N/A LYS 1072.A N ALA 1069.A O no hydrogen 3.246 N/A GLY 1073.A N ILE 1070.A O no hydrogen 2.700 N/A GLU 1074.A N ALA 1069.A O no hydrogen 2.639 N/A SER 1080.A N ASP 1059.A OD2 no hydrogen 2.407 N/A SER 1080.A OG GLU 1113.A OE1 no hydrogen 3.389 N/A SER 1084.A OG ASP 1058.A OD1 no hydrogen 2.777 N/A ARG 1086.A N PRO 1082.A O no hydrogen 3.274 N/A ARG 1086.A NE VAL 1081.A O no hydrogen 3.283 N/A VAL 1087.A N GLU 1083.A O no hydrogen 2.687 N/A LEU 1088.A N SER 1084.A O no hydrogen 2.928 N/A VAL 1089.A N PHE 1085.A O no hydrogen 2.913 N/A LYS 1090.A N ARG 1086.A O no hydrogen 3.046 N/A LYS 1090.A NZ GLN 1093.A OE1 no hydrogen 3.323 N/A GLU 1091.A N VAL 1087.A O no hydrogen 2.793 N/A LEU 1092.A N LEU 1088.A O no hydrogen 2.678 N/A GLN 1093.A N VAL 1089.A O no hydrogen 2.744 N/A ALA 1094.A N LYS 1090.A O no hydrogen 2.653 N/A LEU 1095.A N LEU 1092.A O no hydrogen 3.302 N/A THR 1101.A OG1 VAL 1109.A O no hydrogen 3.114 N/A ASP 1103.A N ASN 1107.A O no hydrogen 2.515 N/A LYS 1105.A NZ ASN 1107.A OD1 no hydrogen 3.004 N/A VAL 1109.A N GLN 1100.A OE1 no hydrogen 3.389 N/A