Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1zyr_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ARG 900.A O no hydrogen 3.452 N/A GLU 20.A N PRO 17.A O no hydrogen 2.748 N/A GLN 22.A N THR 19.A O no hydrogen 2.760 N/A VAL 23.A N THR 19.A O no hydrogen 2.927 N/A SER 25.A OG THR 335.A OG1 no hydrogen 2.933 N/A TYR 26.A N GLN 22.A O no hydrogen 3.183 N/A TYR 26.A OH PRO 119.A O no hydrogen 3.428 N/A ARG 27.A N VAL 23.A O no hydrogen 3.117 N/A ARG 28.A N GLU 24.A O no hydrogen 3.234 N/A ALA 29.A N SER 25.A O no hydrogen 2.739 N/A LEU 30.A N TYR 26.A O no hydrogen 3.067 N/A LYS 38.A N PRO 35.A O no hydrogen 2.612 N/A ILE 44.A N ALA 29.A O no hydrogen 3.194 N/A ALA 46.A N VAL 42.A O no hydrogen 3.215 N/A ALA 47.A N GLY 43.A O no hydrogen 2.699 N/A PHE 48.A N ILE 44.A O no hydrogen 3.005 N/A ARG 49.A N GLN 45.A O no hydrogen 3.112 N/A GLU 50.A N ALA 46.A O no hydrogen 2.751 N/A THR 51.A N ALA 47.A O no hydrogen 2.838 N/A THR 51.A N PHE 48.A O no hydrogen 2.427 N/A THR 51.A OG1 ALA 47.A O no hydrogen 2.969 N/A PHE 52.A N ARG 49.A O no hydrogen 3.439 N/A TYR 71.A OH GLN 31.A O no hydrogen 2.612 N/A ARG 72.A N TYR 95.A O no hydrogen 2.923 N/A ARG 72.A NE GLU 112.A OE1 no hydrogen 3.432 N/A CYS 83.A N PRO 79.A O no hydrogen 2.960 N/A CYS 83.A N GLN 80.A O no hydrogen 2.354 N/A CYS 83.A SG PHE 78.A O no hydrogen 3.723 N/A CYS 83.A SG PRO 79.A O no hydrogen 2.759 N/A GLU 85.A N GLU 82.A O no hydrogen 3.231 N/A LYS 86.A N GLU 82.A O no hydrogen 3.193 N/A LYS 86.A NZ GLU 85.A OE1 no hydrogen 2.584 N/A THR 89.A OG1 ILE 129.A O no hydrogen 2.443 N/A TYR 90.A N ILE 128.A O no hydrogen 3.037 N/A GLN 91.A NE2 HIS 117.A O no hydrogen 3.517 N/A GLN 91.A NE2 GLU 379.A OE2 no hydrogen 3.497 N/A TYR 95.A N ARG 72.A O no hydrogen 3.296 N/A ARG 97.A N GLU 70.A O no hydrogen 3.217 N/A ARG 97.A NH1 GLU 70.A OE1 no hydrogen 2.793 N/A LEU 100.A N ILE 108.A O no hydrogen 3.197 N/A ILE 101.A N VAL 65.A O no hydrogen 2.786 N/A LYS 109.A NZ LYS 109.A O no hydrogen 3.299 N/A HIS 117.A ND1 ALA 92.A O no hydrogen 2.587 N/A LEU 120.A N TYR 90.A O no hydrogen 3.222 N/A THR 122.A N SER 126.A O no hydrogen 2.755 N/A THR 122.A OG1 SER 126.A O no hydrogen 2.791 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.895 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 3.536 N/A SER 126.A OG ASP 124.A OD2 no hydrogen 3.251 N/A PHE 127.A N ARG 134.A O no hydrogen 2.983 N/A ASP 133.A N ASN 632.A OD1 no hydrogen 3.349 N/A ARG 134.A N PHE 127.A O no hydrogen 3.230 N/A ARG 134.A NH1 SER 392.A O no hydrogen 3.187 N/A VAL 135.A N GLN 393.A O no hydrogen 3.406 N/A VAL 137.A N LEU 391.A O no hydrogen 3.368 N/A SER 138.A OG ARG 409.A O no hydrogen 3.082 N/A HIS 141.A N ARG 332.A O no hydrogen 2.585 N/A SER 143.A N ASN 330.A O no hydrogen 2.973 N/A SER 143.A OG PRO 144.A O no hydrogen 3.290 N/A GLY 145.A N ILE 163.A O no hydrogen 3.152 N/A TYR 147.A N SER 161.A O no hydrogen 3.184 N/A TYR 147.A OH SER 143.A O no hydrogen 2.388 N/A TYR 147.A OH ASN 330.A O no hydrogen 3.273 N/A PHE 148.A N ASP 323.A OD2 no hydrogen 3.498 N/A ARG 154.A NH1 VAL 176.A O no hydrogen 3.298 N/A ARG 154.A NH2 VAL 176.A O no hydrogen 3.260 N/A ARG 157.A NE TYR 158.A OH no hydrogen 3.479 N/A ILE 159.A N THR 149.A O no hydrogen 3.084 N/A ALA 160.A N LEU 174.A O no hydrogen 3.124 N/A SER 161.A OG TYR 147.A O no hydrogen 2.748 N/A ILE 162.A N ILE 172.A O no hydrogen 2.580 N/A ILE 163.A N GLY 145.A O no hydrogen 2.964 N/A GLY 169.A N PRO 166.A O no hydrogen 2.985 N/A LEU 174.A N ALA 160.A O no hydrogen 3.147 N/A GLU 175.A N SER 183.A O no hydrogen 3.088 N/A GLY 180.A N PRO 178.A O no hydrogen 2.570 N/A VAL 181.A N GLU 177.A O no hydrogen 3.335 N/A SER 183.A N GLU 175.A O no hydrogen 2.600 N/A SER 183.A OG GLU 175.A O no hydrogen 2.514 N/A LYS 185.A N ASP 173.A O no hydrogen 3.173 N/A LYS 190.A NZ SER 183.A OG no hydrogen 3.112 N/A LEU 197.A N LEU 193.A O no hydrogen 2.945 N/A ARG 198.A N VAL 194.A O no hydrogen 2.776 N/A VAL 199.A N LEU 196.A O no hydrogen 3.086 N/A TYR 202.A N LEU 200.A O no hydrogen 2.536 N/A GLN 204.A NE2 MET 222.A O no hydrogen 2.850 N/A GLN 204.A NE2 GLU 224.A O no hydrogen 3.136 N/A THR 206.A N ASP 203.A OD1 no hydrogen 3.210 N/A LEU 207.A N ASP 203.A O no hydrogen 3.042 N/A ARG 209.A NH1 GLU 205.A O no hydrogen 2.839 N/A GLU 210.A N THR 206.A O no hydrogen 3.099 N/A TYR 214.A OH LEU 211.A O no hydrogen 3.118 N/A GLY 215.A N GLY 212.A O no hydrogen 2.646 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.748 N/A VAL 218.A N GLY 215.A O no hydrogen 3.446 N/A GLY 220.A N LEU 217.A O no hydrogen 2.776 N/A LEU 221.A N VAL 218.A O no hydrogen 3.032 N/A MET 222.A N VAL 218.A O no hydrogen 3.134 N/A ALA 234.A N PRO 231.A O no hydrogen 3.234 N/A ILE 236.A N GLU 233.A O no hydrogen 2.994 N/A ARG 237.A N GLU 233.A O no hydrogen 2.660 N/A LEU 238.A N ALA 234.A O no hydrogen 3.183 N/A THR 240.A N ILE 236.A O no hydrogen 2.783 N/A THR 240.A N ARG 237.A O no hydrogen 3.253 N/A THR 240.A OG1 ILE 236.A O no hydrogen 2.567 N/A LEU 241.A N ARG 237.A O no hydrogen 3.311 N/A LEU 242.A N THR 240.A O no hydrogen 2.542 N/A ALA 253.A N ARG 250.A O no hydrogen 3.194 N/A ARG 265.A NE ARG 266.A O no hydrogen 3.454 N/A ARG 265.A NE TYR 267.A O no hydrogen 3.336 N/A ARG 265.A NH2 TYR 267.A O no hydrogen 3.009 N/A TYR 267.A OH ASP 342.A OD1 no hydrogen 2.283 N/A ALA 272.A N ASP 268.A O no hydrogen 3.386 N/A ARG 274.A NH2 ILE 283.A O no hydrogen 3.446 N/A LYS 276.A NZ ALA 272.A O no hydrogen 2.838 N/A ALA 277.A N GLY 273.A O no hydrogen 3.181 N/A GLU 278.A N ARG 274.A O no hydrogen 2.588 N/A GLU 279.A N TYR 275.A O no hydrogen 3.004 N/A LYS 280.A N LYS 276.A O no hydrogen 3.314 N/A THR 306.A OG1 VAL 302.A O no hydrogen 3.344 N/A THR 306.A OG1 PHE 303.A O no hydrogen 2.728 N/A ARG 308.A N LEU 304.A O no hydrogen 2.858 N/A TYR 309.A N THR 306.A O no hydrogen 3.353 N/A TYR 309.A OH GLU 321.A OE2 no hydrogen 2.541 N/A LEU 310.A N THR 306.A O no hydrogen 2.777 N/A PHE 311.A N LEU 307.A O no hydrogen 2.789 N/A LEU 313.A N LEU 310.A O no hydrogen 2.852 N/A THR 314.A N LEU 310.A O no hydrogen 2.628 N/A THR 314.A OG1 LEU 310.A O no hydrogen 2.761 N/A ASP 326.A N ASP 324.A OD1 no hydrogen 3.304 N/A HIS 327.A N ASP 324.A O no hydrogen 2.977 N/A HIS 327.A NE2 ASP 492.A OD2 no hydrogen 2.897 N/A GLY 329.A N HIS 327.A ND1 no hydrogen 3.284 N/A ASN 330.A N HIS 327.A O no hydrogen 2.572 N/A ASN 330.A ND2 ASP 324.A O no hydrogen 2.761 N/A ARG 332.A N HIS 141.A O no hydrogen 2.732 N/A ARG 332.A NE LEU 464.A O no hydrogen 3.259 N/A ARG 332.A NH1 GLU 338.A OE1 no hydrogen 3.088 N/A ILE 333.A N GLY 465.A O no hydrogen 3.275 N/A ARG 334.A N GLN 139.A O no hydrogen 2.402 N/A ARG 334.A NH2 GLU 338.A OE1 no hydrogen 2.769 N/A THR 335.A OG1 SER 25.A OG no hydrogen 2.933 N/A LEU 339.A N THR 335.A O no hydrogen 3.320 N/A MET 340.A N VAL 336.A O no hydrogen 2.835 N/A MET 340.A N GLY 337.A O no hydrogen 2.679 N/A THR 341.A N GLY 337.A O no hydrogen 2.597 N/A ASP 342.A N GLU 338.A O no hydrogen 2.917 N/A PHE 344.A N THR 341.A O no hydrogen 3.028 N/A ARG 345.A N ASP 342.A O no hydrogen 3.153 N/A ARG 345.A NE ASP 342.A OD1 no hydrogen 2.939 N/A ARG 345.A NH2 TYR 267.A OH no hydrogen 2.935 N/A ARG 345.A NH2 THR 341.A OG1 no hydrogen 3.370 N/A ARG 345.A NH2 ASP 342.A OD1 no hydrogen 2.647 N/A ALA 349.A N VAL 346.A O no hydrogen 3.184 N/A ARG 350.A N VAL 346.A O no hydrogen 3.234 N/A LEU 351.A N GLY 347.A O no hydrogen 3.018 N/A ALA 352.A N LEU 348.A O no hydrogen 3.130 N/A GLY 354.A N ARG 350.A O no hydrogen 3.146 N/A VAL 355.A N LEU 351.A O no hydrogen 2.728 N/A ARG 358.A N VAL 355.A O no hydrogen 2.851 N/A ARG 358.A NE LEU 372.A O no hydrogen 3.533 N/A MET 359.A N VAL 355.A O no hydrogen 3.250 N/A MET 359.A N ARG 356.A O no hydrogen 3.221 N/A LEU 360.A N GLU 357.A O no hydrogen 3.122 N/A MET 361.A N ARG 358.A O no hydrogen 3.322 N/A GLY 362.A N ARG 358.A O no hydrogen 3.452 N/A LEU 372.A N PRO 369.A O no hydrogen 3.385 N/A SER 375.A OG PHE 114.A O no hydrogen 3.120 N/A GLU 379.A N SER 375.A O no hydrogen 3.161 N/A ALA 380.A N PRO 377.A O no hydrogen 2.553 N/A ALA 381.A N PRO 377.A O no hydrogen 3.383 N/A ILE 382.A N LEU 378.A O no hydrogen 3.378 N/A ARG 383.A NH2 THR 89.A OG1 no hydrogen 3.394 N/A GLU 384.A N ALA 380.A O no hydrogen 3.137 N/A PHE 385.A N ALA 381.A O no hydrogen 2.701 N/A PHE 386.A N ILE 382.A O no hydrogen 3.090 N/A PHE 386.A N ARG 383.A O no hydrogen 3.149 N/A SER 387.A N ARG 383.A O no hydrogen 2.859 N/A SER 387.A OG ARG 383.A O no hydrogen 2.522 N/A ARG 388.A N GLU 384.A O no hydrogen 3.098 N/A ARG 388.A NH2 GLU 384.A OE2 no hydrogen 3.527 N/A SER 389.A N GLU 384.A O no hydrogen 3.383 N/A SER 392.A OG VAL 135.A O no hydrogen 3.486 N/A LYS 395.A N ASP 133.A O no hydrogen 3.122 N/A LYS 395.A NZ ASP 124.A OD1 no hydrogen 3.287 N/A LYS 395.A NZ SER 126.A OG no hydrogen 3.232 N/A ASP 396.A N HIS 406.A ND1 no hydrogen 3.382 N/A ASN 399.A ND2 GLN 565.A O no hydrogen 3.211 N/A ASN 399.A ND2 ALA 568.A O no hydrogen 2.782 N/A SER 402.A N ASN 399.A O no hydrogen 2.583 N/A SER 402.A N ASN 399.A OD1 no hydrogen 2.980 N/A SER 402.A OG ASN 399.A O no hydrogen 3.091 N/A SER 402.A OG ASN 399.A OD1 no hydrogen 2.866 N/A SER 402.A OG THR 566.A O no hydrogen 2.781 N/A SER 403.A N ASN 399.A O no hydrogen 3.364 N/A SER 403.A OG PRO 400.A O no hydrogen 2.888 N/A LEU 404.A N LEU 401.A O no hydrogen 3.134 N/A ARG 405.A N LEU 401.A O no hydrogen 3.006 N/A HIS 406.A N SER 402.A O no hydrogen 2.912 N/A LYS 407.A NZ ASP 124.A OD1 no hydrogen 3.341 N/A LYS 407.A NZ SER 403.A O no hydrogen 2.667 N/A ARG 408.A N LEU 404.A O no hydrogen 3.243 N/A ARG 408.A NH1 ALA 456.A O no hydrogen 3.156 N/A ILE 410.A N THR 453.A O no hydrogen 2.459 N/A SER 411.A N SER 138.A O no hydrogen 2.753 N/A SER 411.A OG LEU 413.A O no hydrogen 3.556 N/A ALA 412.A N LEU 451.A O no hydrogen 2.614 N/A ARG 420.A NH1 GLY 416.A O no hydrogen 2.831 N/A ARG 428.A N GLY 424.A O no hydrogen 2.972 N/A ARG 428.A NE ILE 449.A O no hydrogen 2.983 N/A HIS 431.A NE2 ASP 324.A OD2 no hydrogen 3.123 N/A HIS 434.A N HIS 431.A O no hydrogen 3.077 N/A TYR 435.A OH ASP 533.A OD2 no hydrogen 2.433 N/A ARG 437.A N HIS 434.A O no hydrogen 2.790 N/A ARG 437.A NH1 THR 433.A O no hydrogen 3.332 N/A ARG 437.A NH1 TYR 435.A O no hydrogen 3.303 N/A ARG 437.A NH1 GLU 491.A OE2 no hydrogen 3.037 N/A ARG 437.A NH2 GLU 491.A OE2 no hydrogen 2.566 N/A ILE 438.A N HIS 434.A O no hydrogen 2.967 N/A CYS 439.A N SER 454.A O no hydrogen 3.170 N/A CYS 439.A SG SER 541.A OG no hydrogen 2.846 N/A CYS 439.A SG THR 544.A OG1 no hydrogen 3.540 N/A THR 443.A OG1 ILE 452.A O no hydrogen 3.111 N/A LEU 451.A N ILE 449.A O no hydrogen 2.446 N/A THR 453.A N ILE 410.A O no hydrogen 2.522 N/A ALA 456.A N ARG 437.A O no hydrogen 3.259 N/A ALA 457.A N PHE 540.A O no hydrogen 2.958 N/A PHE 466.A N ASP 462.A OD1 no hydrogen 3.459 N/A ARG 468.A N ARG 460.A O no hydrogen 3.223 N/A ARG 468.A NH1 TYR 485.A O no hydrogen 3.007 N/A ARG 472.A N MET 532.A O no hydrogen 3.234 N/A ARG 473.A NH2 GLU 482.A OE1 no hydrogen 2.703 N/A VAL 474.A N GLU 530.A O no hydrogen 2.875 N/A THR 480.A N ARG 473.A O no hydrogen 2.511 N/A THR 480.A OG1 ARG 473.A O no hydrogen 2.331 N/A VAL 484.A N TYR 471.A O no hydrogen 2.773 N/A MET 486.A N THR 469.A O no hydrogen 3.237 N/A GLU 491.A N ALA 488.A O no hydrogen 2.671 N/A TYR 494.A N GLU 491.A O no hydrogen 2.723 N/A THR 495.A OG1 GLU 530.A OE1 no hydrogen 3.508 N/A ALA 497.A N PHE 531.A O no hydrogen 2.414 N/A GLN 498.A N VAL 514.A O no hydrogen 3.055 N/A GLN 498.A NE2 TYR 435.A OH no hydrogen 2.421 N/A THR 501.A OG1 GLN 498.A O no hydrogen 3.177 N/A ALA 509.A N PRO 502.A O no hydrogen 3.055 N/A VAL 513.A N VAL 524.A O no hydrogen 2.690 N/A ALA 515.A N VAL 522.A O no hydrogen 2.729 N/A ARG 516.A N ILE 496.A O no hydrogen 2.569 N/A ARG 517.A N GLU 520.A O no hydrogen 3.214 N/A VAL 522.A N ALA 515.A O no hydrogen 2.895 N/A VAL 524.A N VAL 513.A O no hydrogen 2.671 N/A SER 525.A OG GLU 527.A OE1 no hydrogen 3.518 N/A GLU 528.A N SER 525.A O no hydrogen 2.720 N/A VAL 529.A N SER 525.A O no hydrogen 3.376 N/A VAL 529.A N PRO 526.A O no hydrogen 2.722 N/A GLU 530.A N THR 495.A O no hydrogen 3.125 N/A MET 532.A N ARG 472.A O no hydrogen 2.838 N/A ASP 533.A N ALA 497.A O no hydrogen 2.899 N/A LYS 537.A NZ GLU 11.A OE1 no hydrogen 2.733 N/A GLN 538.A N SER 535.A O no hydrogen 3.093 N/A GLN 538.A NE2 SER 535.A O no hydrogen 3.424 N/A VAL 539.A N PRO 536.A O no hydrogen 2.630 N/A SER 541.A OG GLU 442.A OE2 no hydrogen 2.855 N/A SER 541.A OG THR 544.A OG1 no hydrogen 2.404 N/A ASN 543.A ND2 SER 562.A O no hydrogen 2.526 N/A THR 544.A OG1 SER 541.A OG no hydrogen 2.404 N/A LEU 546.A N ASN 543.A O no hydrogen 2.846 N/A ILE 547.A N THR 544.A O no hydrogen 2.842 N/A HIS 552.A N PHE 549.A O no hydrogen 2.514 N/A ASP 553.A N LEU 550.A O no hydrogen 2.711 N/A ASP 554.A N MET 880.A O no hydrogen 2.656 N/A ARG 557.A N ASP 554.A O no hydrogen 2.374 N/A ALA 558.A N ASP 554.A O no hydrogen 3.196 N/A GLY 561.A N ARG 557.A O no hydrogen 2.959 N/A SER 562.A N ALA 558.A O no hydrogen 2.742 N/A ASN 563.A N LEU 559.A O no hydrogen 2.786 N/A ASN 563.A N MET 560.A O no hydrogen 2.636 N/A MET 564.A N MET 560.A O no hydrogen 2.602 N/A GLN 565.A NE2 ASN 543.A O no hydrogen 3.487 N/A THR 566.A OG1 ASN 563.A O no hydrogen 3.290 N/A GLN 567.A N ASN 563.A O no hydrogen 3.370 N/A GLN 567.A N MET 564.A O no hydrogen 2.439 N/A ALA 568.A N GLN 565.A O no hydrogen 2.825 N/A VAL 569.A N LYS 996.A O no hydrogen 3.331 N/A ILE 572.A N THR 701.A O no hydrogen 3.059 N/A ALA 576.A N GLU 662.A OE1 no hydrogen 3.146 N/A MET 580.A N TYR 901.A O no hydrogen 2.604 N/A THR 581.A OG1 ASN 545.A O no hydrogen 3.203 N/A THR 581.A OG1 GLU 584.A OE2 no hydrogen 2.972 N/A GLY 582.A N GLU 584.A OE2 no hydrogen 2.617 N/A ARG 586.A NH1 ASP 590.A OD2 no hydrogen 2.611 N/A VAL 587.A N LEU 583.A O no hydrogen 3.117 N/A ARG 589.A N GLU 585.A O no hydrogen 2.831 N/A ASP 590.A N ARG 586.A O no hydrogen 2.736 N/A SER 591.A N VAL 587.A O no hydrogen 2.632 N/A SER 591.A OG VAL 587.A O no hydrogen 3.012 N/A SER 591.A OG VAL 588.A O no hydrogen 3.111 N/A LEU 595.A N ALA 656.A O no hydrogen 3.045 N/A GLU 598.A N TYR 615.A OH no hydrogen 3.339 N/A GLU 602.A N ARG 614.A O no hydrogen 2.502 N/A ALA 604.A N VAL 612.A O no hydrogen 2.714 N/A ASP 607.A N ARG 610.A O no hydrogen 2.487 N/A ARG 610.A NH1 ARG 610.A O no hydrogen 3.390 N/A ILE 611.A N TYR 623.A O no hydrogen 3.133 N/A VAL 612.A N LYS 605.A O no hydrogen 3.322 N/A VAL 613.A N VAL 621.A O no hydrogen 2.851 N/A ARG 614.A N GLU 602.A O no hydrogen 2.728 N/A TYR 615.A OH TYR 623.A OH no hydrogen 2.424 N/A ARG 619.A NE ASP 617.A OD1 no hydrogen 2.740 N/A ARG 619.A NH2 ASP 617.A OD1 no hydrogen 3.190 N/A TYR 623.A OH TYR 615.A OH no hydrogen 2.424 N/A LEU 625.A N ASN 609.A O no hydrogen 3.347 N/A ARG 630.A NH1 SER 631.A O no hydrogen 3.012 N/A SER 631.A OG THR 635.A O no hydrogen 2.748 N/A SER 631.A OG THR 635.A OG1 no hydrogen 3.427 N/A GLN 633.A NE2 LYS 395.A O no hydrogen 2.509 N/A GLY 634.A N SER 631.A OG no hydrogen 2.542 N/A THR 635.A OG1 GLU 397.A O no hydrogen 3.544 N/A THR 635.A OG1 THR 398.A O no hydrogen 2.557 N/A THR 635.A OG1 SER 631.A OG no hydrogen 3.427 N/A ALA 636.A N ILE 703.A O no hydrogen 3.123 N/A GLN 639.A N ARG 626.A O no hydrogen 3.454 N/A ARG 640.A NH2 ILE 572.A O no hydrogen 3.547 N/A ARG 642.A N LEU 655.A O no hydrogen 2.607 N/A ARG 642.A NE ASP 657.A OD2 no hydrogen 2.933 N/A ARG 642.A NE GLU 662.A O no hydrogen 3.402 N/A ARG 642.A NH2 GLU 662.A O no hydrogen 3.046 N/A VAL 643.A N LEU 655.A O no hydrogen 3.146 N/A VAL 644.A N GLN 647.A OE1 no hydrogen 3.284 N/A GLY 652.A N ALA 597.A O no hydrogen 2.728 N/A ASP 653.A N ARG 650.A O no hydrogen 2.891 N/A LEU 655.A N LEU 595.A O no hydrogen 2.797 N/A ALA 656.A N LEU 595.A O no hydrogen 3.463 N/A ASP 657.A N ARG 640.A O no hydrogen 2.810 N/A SER 661.A N GLY 658.A O no hydrogen 3.204 N/A GLU 662.A N PHE 665.A O no hydrogen 3.124 N/A ALA 667.A N ALA 660.A O no hydrogen 2.522 N/A GLN 670.A N ILE 994.A O no hydrogen 3.044 N/A GLN 670.A NE2 ARG 573.A O no hydrogen 3.185 N/A VAL 672.A N MET 992.A O no hydrogen 3.290 N/A LEU 673.A N ASP 868.A OD2 no hydrogen 3.194 N/A VAL 674.A N GLY 990.A O no hydrogen 2.987 N/A ALA 675.A N VAL 869.A O no hydrogen 3.145 N/A MET 677.A N LEU 871.A O no hydrogen 2.829 N/A PHE 679.A N ASN 683.A OD1 no hydrogen 2.978 N/A GLY 681.A N PHE 679.A O no hydrogen 2.359 N/A ASN 683.A ND2 MET 677.A O no hydrogen 3.413 N/A ILE 688.A N VAL 848.A O no hydrogen 2.989 N/A ILE 690.A N LYS 851.A O no hydrogen 2.856 N/A SER 691.A OG VAL 867.A O no hydrogen 3.126 N/A GLU 692.A N LEU 853.A O no hydrogen 2.986 N/A LEU 694.A N SER 691.A O no hydrogen 2.542 N/A LEU 695.A N GLU 692.A O no hydrogen 3.001 N/A LYS 696.A N GLU 692.A O no hydrogen 3.180 N/A ARG 697.A N GLU 693.A O no hydrogen 3.411 N/A ARG 697.A NH2 ASP 868.A OD1 no hydrogen 3.314 N/A PHE 699.A N LEU 694.A O no hydrogen 3.285 N/A TYR 700.A OH ILE 994.A O no hydrogen 2.665 N/A THR 701.A N PHE 699.A O no hydrogen 2.797 N/A SER 702.A N ARG 831.A O no hydrogen 3.200 N/A HIS 704.A N GLN 829.A O no hydrogen 3.141 N/A ILE 705.A N GLY 634.A O no hydrogen 3.162 N/A GLU 706.A N VAL 827.A O no hydrogen 2.600 N/A ILE 710.A N VAL 823.A O no hydrogen 3.339 N/A ALA 712.A N GLU 821.A O no hydrogen 3.197 N/A ASP 714.A N GLY 818.A O no hydrogen 2.900 N/A ARG 721.A N THR 759.A O no hydrogen 3.323 N/A THR 723.A OG1 ASP 725.A OD2 no hydrogen 2.325 N/A ARG 724.A NE LEU 737.A O no hydrogen 3.244 N/A ARG 724.A NE ASP 738.A O no hydrogen 3.168 N/A ARG 724.A NH2 GLU 731.A OE1 no hydrogen 3.453 N/A LEU 734.A N GLU 731.A O no hydrogen 2.673 N/A ARG 735.A N GLU 731.A O no hydrogen 2.901 N/A LEU 737.A N LEU 734.A O no hydrogen 2.502 N/A ARG 744.A N ASP 736.A O no hydrogen 3.272 N/A ARG 744.A NE ILE 745.A O no hydrogen 3.470 N/A ARG 744.A NH2 GLY 746.A O no hydrogen 3.008 N/A GLY 746.A N VAL 800.A O no hydrogen 2.667 N/A VAL 749.A N GLY 798.A O no hydrogen 3.017 N/A GLY 752.A N VAL 792.A O no hydrogen 3.308 N/A ASP 753.A N LYS 750.A O no hydrogen 3.430 N/A VAL 756.A N LEU 790.A O no hydrogen 3.371 N/A GLY 757.A N GLY 741.A O no hydrogen 3.431 N/A ARG 758.A N SER 789.A OG no hydrogen 2.675 N/A ARG 758.A NE THR 788.A O no hydrogen 2.864 N/A ARG 758.A NH1 GLU 711.A O no hydrogen 2.843 N/A ARG 758.A NH2 THR 788.A O no hydrogen 2.574 N/A THR 759.A N ARG 721.A O no hydrogen 2.923 N/A SER 760.A N LYS 786.A O no hydrogen 3.348 N/A SER 760.A OG THR 788.A OG1 no hydrogen 3.168 N/A LYS 762.A NZ VAL 785.A O no hydrogen 3.108 N/A SER 765.A N GLU 766.A OE2 no hydrogen 3.403 N/A THR 768.A OG1 PRO 767.A O no hydrogen 2.365 N/A THR 768.A OG1 GLU 771.A OE2 no hydrogen 3.558 N/A LEU 773.A N PRO 769.A O no hydrogen 3.065 N/A ARG 775.A N GLU 771.A O no hydrogen 3.096 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 3.256 N/A GLY 779.A N SER 776.A O no hydrogen 3.307 N/A VAL 785.A N ARG 783.A O no hydrogen 2.791 N/A LYS 786.A N SER 760.A O no hydrogen 2.622 N/A LYS 786.A NZ LYS 762.A O no hydrogen 2.938 N/A THR 788.A OG1 GLU 720.A OE2 no hydrogen 3.405 N/A THR 788.A OG1 SER 760.A OG no hydrogen 3.168 N/A SER 789.A N ASP 787.A OD1 no hydrogen 3.106 N/A SER 789.A OG ARG 758.A O no hydrogen 3.214 N/A SER 789.A OG ASP 787.A OD1 no hydrogen 3.001 N/A ARG 791.A NH2 ASP 787.A OD1 no hydrogen 2.801 N/A VAL 792.A N ASP 753.A O no hydrogen 3.202 N/A ILE 799.A N ALA 828.A O no hydrogen 3.062 N/A VAL 801.A N TYR 826.A O no hydrogen 3.334 N/A VAL 804.A N ARG 824.A O no hydrogen 2.989 N/A ARG 807.A NE ARG 808.A O no hydrogen 2.949 N/A ARG 807.A NH2 ARG 808.A O no hydrogen 3.000 N/A VAL 819.A N LYS 816.A O no hydrogen 2.829 N/A VAL 823.A N ILE 710.A O no hydrogen 3.002 N/A ARG 824.A N VAL 804.A O no hydrogen 2.838 N/A VAL 825.A N TYR 708.A O no hydrogen 3.090 N/A TYR 826.A N ARG 802.A O no hydrogen 3.172 N/A VAL 827.A N GLU 706.A O no hydrogen 2.668 N/A ALA 828.A N ILE 799.A O no hydrogen 3.295 N/A GLN 829.A N HIS 704.A O no hydrogen 2.833 N/A GLY 836.A N VAL 849.A O no hydrogen 2.836 N/A ASP 837.A N GLN 834.A O no hydrogen 3.065 N/A LYS 838.A N ASP 837.A OD2 no hydrogen 2.544 N/A LEU 839.A N GLY 847.A O no hydrogen 2.779 N/A ALA 840.A N MET 995.A O no hydrogen 2.950 N/A ARG 842.A NH1 VAL 579.A O no hydrogen 3.058 N/A ARG 842.A NH2 VAL 579.A O no hydrogen 3.561 N/A ARG 842.A NH2 GLU 887.A OE1 no hydrogen 3.189 N/A HIS 843.A ND1 ASP 553.A OD1 no hydrogen 2.564 N/A GLY 844.A N ASN 841.A O no hydrogen 3.007 N/A ASN 845.A ND2 GLN 884.A OE1 no hydrogen 3.298 N/A GLY 847.A N LEU 839.A O no hydrogen 2.827 N/A VAL 848.A N ASP 686.A O no hydrogen 3.383 N/A VAL 849.A N ASP 837.A O no hydrogen 2.608 N/A ALA 850.A N ILE 688.A O no hydrogen 2.597 N/A LYS 851.A NZ TYR 682.A OH no hydrogen 3.232 N/A LEU 853.A N ILE 690.A O no hydrogen 3.024 N/A ASP 857.A N PRO 854.A O no hydrogen 2.709 N/A MET 858.A N VAL 855.A O no hydrogen 3.354 N/A HIS 860.A N TYR 975.A O no hydrogen 3.068 N/A LEU 861.A N THR 865.A O no hydrogen 2.866 N/A THR 865.A N ASP 863.A O no hydrogen 2.144 N/A VAL 867.A N PRO 859.A O no hydrogen 3.145 N/A ASP 868.A N LEU 673.A O no hydrogen 2.676 N/A VAL 869.A N LEU 673.A O no hydrogen 3.252 N/A ILE 870.A N VAL 689.A O no hydrogen 3.137 N/A ASN 872.A ND2 ASN 683.A O no hydrogen 2.995 N/A LEU 874.A N ASN 872.A OD1 no hydrogen 2.620 N/A VAL 876.A N PRO 873.A O no hydrogen 2.478 N/A ARG 879.A NH1 GLY 875.A O no hydrogen 3.393 N/A ASN 881.A N ARG 879.A O no hydrogen 2.651 N/A GLY 883.A N HIS 552.A O no hydrogen 3.454 N/A ILE 885.A N LEU 882.A O no hydrogen 2.577 N/A LEU 886.A N GLY 883.A O no hydrogen 2.955 N/A GLU 887.A N GLY 883.A O no hydrogen 3.272 N/A THR 888.A OG1 GLN 884.A O no hydrogen 2.666 N/A LEU 890.A N LEU 886.A O no hydrogen 2.805 N/A GLY 891.A N GLU 887.A O no hydrogen 2.984 N/A LEU 892.A N THR 888.A O no hydrogen 2.766 N/A ALA 893.A N HIS 889.A O no hydrogen 3.451 N/A GLY 894.A N LEU 890.A O no hydrogen 3.099 N/A TYR 895.A N LEU 892.A O no hydrogen 2.711 N/A PHE 896.A N LEU 892.A O no hydrogen 3.255 N/A LEU 897.A N ALA 893.A O no hydrogen 3.158 N/A GLY 898.A N TYR 895.A O no hydrogen 2.660 N/A GLN 899.A N GLY 894.A O no hydrogen 3.225 N/A GLN 899.A NE2 LEU 897.A O no hydrogen 2.929 N/A ARG 900.A N GLU 2.A O no hydrogen 2.531 N/A ARG 900.A NH2 GLU 662.A OE1 no hydrogen 3.148 N/A TYR 901.A N VAL 578.A O no hydrogen 3.046 N/A ILE 902.A N LYS 4.A O no hydrogen 3.232 N/A SER 903.A N MET 580.A O no hydrogen 2.839 N/A LYS 910.A N GLU 913.A OE1 no hydrogen 2.907 N/A ILE 914.A N LYS 910.A O no hydrogen 3.115 N/A LYS 915.A N GLU 911.A O no hydrogen 2.651 N/A LYS 915.A NZ GLU 911.A OE2 no hydrogen 2.994 N/A GLU 916.A N PRO 912.A O no hydrogen 2.836 N/A GLU 916.A N GLU 913.A O no hydrogen 2.975 N/A LEU 917.A N GLU 913.A O no hydrogen 3.006 N/A LEU 918.A N ILE 914.A O no hydrogen 2.953 N/A GLN 920.A N GLU 916.A O no hydrogen 2.984 N/A ALA 921.A N LEU 918.A O no hydrogen 3.104 N/A PHE 922.A N LEU 918.A O no hydrogen 2.718 N/A TYR 925.A N ALA 921.A O no hydrogen 3.069 N/A PHE 926.A N PHE 922.A O no hydrogen 2.691 N/A GLY 927.A N GLU 923.A O no hydrogen 2.378 N/A ARG 929.A NE GLY 935.A O no hydrogen 3.078 N/A ARG 929.A NH2 GLY 935.A O no hydrogen 2.989 N/A ARG 929.A NH2 GLU 940.A OE1 no hydrogen 2.975 N/A LYS 930.A N PHE 926.A O no hydrogen 3.359 N/A GLY 931.A N GLY 927.A O no hydrogen 3.280 N/A GLY 931.A N LYS 928.A O no hydrogen 2.401 N/A GLU 932.A N LYS 928.A O no hydrogen 2.737 N/A PHE 934.A N ARG 929.A O no hydrogen 3.056 N/A ARG 939.A NE LYS 938.A O no hydrogen 3.419 N/A VAL 941.A N ASP 937.A O no hydrogen 3.536 N/A VAL 943.A N ARG 939.A O no hydrogen 2.735 N/A LEU 944.A N GLU 940.A O no hydrogen 2.926 N/A ARG 945.A N GLU 942.A O no hydrogen 3.014 N/A ARG 946.A NH1 GLU 984.A O no hydrogen 3.319 N/A ALA 947.A N VAL 943.A O no hydrogen 2.730 N/A LEU 950.A N ARG 946.A O no hydrogen 3.042 N/A LEU 952.A N ALA 947.A O no hydrogen 3.144 N/A THR 954.A N GLU 965.A OE1 no hydrogen 3.069 N/A THR 954.A OG1 GLU 965.A OE1 no hydrogen 3.452 N/A THR 954.A OG1 GLU 965.A OE2 no hydrogen 3.468 N/A LYS 957.A NZ THR 954.A OG1 no hydrogen 3.296 N/A LYS 957.A NZ GLU 965.A OE2 no hydrogen 3.031 N/A GLN 962.A N THR 958.A O no hydrogen 2.791 N/A GLN 962.A NE2 LYS 957.A O no hydrogen 3.032 N/A LEU 963.A N PRO 959.A O no hydrogen 3.175 N/A LEU 963.A N GLU 960.A O no hydrogen 3.226 N/A LYS 964.A NZ GLU 961.A OE1 no hydrogen 3.018 N/A LYS 964.A NZ GLU 961.A OE2 no hydrogen 3.439 N/A GLU 965.A N GLU 961.A O no hydrogen 3.317 N/A LEU 966.A N GLN 962.A O no hydrogen 3.136 N/A PHE 967.A N LEU 963.A O no hydrogen 2.623 N/A LEU 968.A N LYS 964.A O no hydrogen 2.847 N/A GLN 969.A N LEU 966.A O no hydrogen 2.702 N/A GLY 970.A N PHE 967.A O no hydrogen 2.677 N/A VAL 972.A N ILE 987.A O no hydrogen 2.751 N/A TYR 975.A N HIS 860.A O no hydrogen 2.948 N/A ASP 976.A N GLU 981.A O no hydrogen 3.009 N/A ARG 978.A N ASP 976.A OD1 no hydrogen 2.960 N/A THR 979.A N ASP 976.A O no hydrogen 2.517 N/A GLY 980.A N ASP 976.A O no hydrogen 3.070 N/A GLU 981.A N THR 979.A OG1 no hydrogen 2.957 N/A ILE 983.A N LEU 974.A O no hydrogen 2.892 N/A ILE 987.A N VAL 972.A O no hydrogen 2.916 N/A VAL 989.A N GLY 970.A O no hydrogen 3.420 N/A MET 992.A N VAL 672.A O no hydrogen 3.072 N/A PHE 993.A N GLU 887.A OE1 no hydrogen 3.000 N/A MET 995.A N ALA 840.A O no hydrogen 2.760 N/A LYS 996.A NZ SER 702.A OG no hydrogen 3.065 N/A LEU 997.A N LYS 838.A O no hydrogen 3.020 N/A TYR 998.A N GLN 567.A O no hydrogen 3.052 N/A ASP 1003.A N MET 1000.A O no hydrogen 3.172 N/A ARG 1008.A NE PHE 1027.A O no hydrogen 2.970 N/A ARG 1008.A NH2 PRO 1012.A O no hydrogen 3.225 N/A ARG 1008.A NH2 LEU 1021.A O no hydrogen 2.550 N/A SER 1009.A OG THR 1010.A OG1 no hydrogen 3.319 N/A THR 1010.A OG1 SER 1009.A OG no hydrogen 3.319 N/A ARG 1031.A NH1 GLN 1019.A OE1 no hydrogen 3.111 N/A GLY 1033.A N ARG 1031.A O no hydrogen 2.880 N/A VAL 1037.A N GLY 1033.A O no hydrogen 2.811 N/A TRP 1038.A N GLU 1034.A O no hydrogen 2.868 N/A ALA 1039.A N MET 1035.A O no hydrogen 2.974 N/A LEU 1040.A N GLU 1036.A O no hydrogen 3.368 N/A GLU 1041.A N VAL 1037.A O no hydrogen 2.596 N/A ALA 1042.A N TRP 1038.A O no hydrogen 2.373 N/A TYR 1043.A N ALA 1039.A O no hydrogen 2.979 N/A ALA 1046.A N GLY 1044.A O no hydrogen 2.267 N/A LEU 1049.A N ALA 1046.A O no hydrogen 2.932 N/A GLU 1051.A N HIS 1047.A O no hydrogen 2.778 N/A MET 1052.A N THR 1048.A O no hydrogen 3.463 N/A LEU 1053.A N LEU 1049.A O no hydrogen 3.198 N/A LEU 1053.A N GLN 1050.A O no hydrogen 3.041 N/A THR 1054.A N GLU 1051.A O no hydrogen 3.105 N/A THR 1054.A OG1 GLN 1050.A O no hydrogen 2.766 N/A SER 1057.A N THR 1054.A O no hydrogen 2.921 N/A ASP 1059.A N THR 1054.A O no hydrogen 2.779 N/A GLY 1062.A N ASP 1059.A OD1 no hydrogen 2.515 N/A ARG 1063.A N ASP 1059.A O no hydrogen 3.177 N/A ARG 1063.A NH1 GLN 1018.A O no hydrogen 3.000 N/A ALA 1065.A N GLU 1061.A O no hydrogen 2.879 N/A ALA 1066.A N GLY 1062.A O no hydrogen 2.535 N/A TYR 1067.A N ARG 1063.A O no hydrogen 2.504 N/A ALA 1069.A N ALA 1065.A O no hydrogen 2.938 N/A ILE 1070.A N ALA 1066.A O no hydrogen 3.175 N/A ILE 1071.A N TYR 1067.A O no hydrogen 3.377 N/A LYS 1072.A N GLU 1068.A O no hydrogen 3.079 N/A GLY 1073.A N ALA 1069.A O no hydrogen 2.915 N/A GLU 1074.A N ALA 1069.A O no hydrogen 3.008 N/A SER 1080.A N ASP 1059.A OD2 no hydrogen 2.456 N/A GLU 1083.A N ASP 1058.A O no hydrogen 3.091 N/A GLU 1083.A N ASP 1058.A OD2 no hydrogen 2.731 N/A SER 1084.A N ASP 1058.A OD1 no hydrogen 2.615 N/A SER 1084.A N ASP 1058.A OD2 no hydrogen 3.290 N/A SER 1084.A OG ASP 1058.A OD1 no hydrogen 2.191 N/A PHE 1085.A N PRO 1082.A O no hydrogen 3.331 N/A ARG 1086.A N PRO 1082.A O no hydrogen 3.294 N/A ARG 1086.A NH1 GLU 1113.A OE2 no hydrogen 3.566 N/A ARG 1086.A NH2 GLU 1113.A OE2 no hydrogen 2.825 N/A VAL 1087.A N GLU 1083.A O no hydrogen 2.438 N/A LEU 1088.A N PHE 1085.A O no hydrogen 2.604 N/A VAL 1089.A N PHE 1085.A O no hydrogen 3.030 N/A LYS 1090.A N ARG 1086.A O no hydrogen 3.227 N/A LYS 1090.A NZ GLN 1093.A OE1 no hydrogen 3.030 N/A GLU 1091.A N VAL 1087.A O no hydrogen 2.768 N/A LEU 1092.A N LEU 1088.A O no hydrogen 2.456 N/A GLN 1093.A N VAL 1089.A O no hydrogen 2.557 N/A ALA 1094.A N GLU 1091.A O no hydrogen 3.113 N/A LEU 1095.A N LEU 1092.A O no hydrogen 2.935 N/A LEU 1097.A N LEU 1095.A O no hydrogen 2.084 N/A THR 1101.A OG1 VAL 1109.A O no hydrogen 2.890 N/A ASN 1107.A N LYS 1105.A O no hydrogen 2.545 N/A GLY 1114.A N ASP 1110.A OD2 no hydrogen 3.060 N/A LEU 1115.A N GLU 1113.A O no hydrogen 2.699 N/A SER 1117.A N GLY 1114.A O no hydrogen 3.077 N/A SER 1117.A OG GLY 1114.A O no hydrogen 3.004 N/A