Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7vnc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG ASP 125.A O no hydrogen 3.862 N/A THR 6.A OG1 PHE 66.A O no hydrogen 2.488 N/A THR 7.A OG1 THR 6.A O no hydrogen 2.539 N/A THR 9.A OG1 ASP 67.A OD1 no hydrogen 2.479 N/A THR 20.A OG1 GLN 205.A O no hydrogen 3.137 N/A THR 20.A OG1 GLY 206.A O no hydrogen 2.789 N/A ARG 21.A NH1 GLY 206.A O no hydrogen 2.669 N/A ARG 21.A NH2 GLY 206.A O no hydrogen 3.010 N/A SER 33.A N ASN 263.A O no hydrogen 3.179 N/A SER 33.A OG SER 32.A O no hydrogen 2.603 N/A HIS 36.A N LEU 260.A O no hydrogen 3.377 N/A THR 38.A N PHE 258.A O no hydrogen 3.110 N/A PHE 42.A N GLN 254.A O no hydrogen 3.305 N/A PHE 45.A N ASP 273.A OD2 no hydrogen 3.125 N/A PHE 46.A N SER 18.A O no hydrogen 3.005 N/A SER 47.A OG PRO 44.A O no hydrogen 2.865 N/A SER 58.A OG THR 63.A OG1 no hydrogen 2.894 N/A THR 60.A N SER 58.A O no hydrogen 2.988 N/A THR 63.A OG1 SER 58.A O no hydrogen 3.105 N/A THR 63.A OG1 SER 58.A OG no hydrogen 2.894 N/A THR 63.A OG1 GLY 62.A O no hydrogen 2.459 N/A LYS 64.A NZ THR 242.A O no hydrogen 2.917 N/A PHE 66.A N LEU 5.A O no hydrogen 3.414 N/A ASN 68.A ND2 THR 227.A O no hydrogen 3.299 N/A LEU 71.A N PHE 225.A O no hydrogen 2.454 N/A PHE 73.A N THR 223.A O no hydrogen 3.323 N/A TYR 78.A N GLY 251.A O no hydrogen 2.314 N/A PHE 79.A N PHE 179.A O no hydrogen 2.400 N/A ALA 80.A N TYR 249.A O no hydrogen 3.325 N/A SER 81.A N ARG 177.A O no hydrogen 3.205 N/A TRP 91.A N ILE 106.A O no hydrogen 3.410 N/A TRP 91.A NE1 TYR 248.A OH no hydrogen 3.273 N/A ILE 92.A N GLN 226.A O no hydrogen 2.597 N/A GLY 94.A N ARG 224.A O no hydrogen 2.835 N/A THR 96.A OG1 THR 101.A OG1 no hydrogen 2.364 N/A SER 99.A OG ASP 98.A OD2 no hydrogen 3.566 N/A THR 101.A OG1 THR 96.A OG1 no hydrogen 2.364 N/A THR 101.A OG1 SER 99.A O no hydrogen 3.440 N/A SER 103.A N CYS 118.A O no hydrogen 3.211 N/A LEU 105.A N LYS 116.A O no hydrogen 2.589 N/A ASN 108.A N ARG 89.A O no hydrogen 2.736 N/A THR 111.A N ASN 109.A O no hydrogen 2.319 N/A THR 111.A OG1 ASN 109.A O no hydrogen 3.337 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 3.297 N/A ASN 112.A N ASN 109.A O no hydrogen 2.934 N/A LYS 116.A N LEU 105.A O no hydrogen 2.801 N/A GLU 119.A N ASN 151.A O no hydrogen 2.938 N/A PHE 120.A N GLU 119.A OE2 no hydrogen 2.738 N/A GLN 121.A NE2 SER 148.A OG no hydrogen 2.387 N/A CYS 123.A SG ARG 145.A O no hydrogen 3.389 N/A GLY 129.A N SER 142.A O no hydrogen 2.945 N/A TYR 132.A OH TYR 235.A OH no hydrogen 2.480 N/A HIS 133.A ND1 SER 138.A OG no hydrogen 2.798 N/A SER 138.A OG HIS 133.A ND1 no hydrogen 2.798 N/A MET 140.A N TYR 131.A O no hydrogen 2.805 N/A SER 142.A N GLY 129.A O no hydrogen 3.429 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.736 N/A TYR 147.A N GLU 143.A O no hydrogen 2.808 N/A SER 148.A N GLN 121.A O no hydrogen 2.969 N/A SER 148.A OG GLN 121.A O no hydrogen 3.452 N/A ASN 151.A N GLU 119.A O no hydrogen 3.173 N/A SER 159.A OG GLN 160.A O no hydrogen 3.454 N/A MET 164.A N HIS 194.A NE2 no hydrogen 3.376 N/A LYS 174.A N GLU 167.A OE2 no hydrogen 2.820 N/A LYS 174.A NZ VAL 200.A O no hydrogen 2.387 N/A ARG 177.A N SER 81.A O no hydrogen 3.075 N/A ARG 177.A NH2 MET 164.A O no hydrogen 2.525 N/A ARG 177.A NH2 ASP 165.A OD1 no hydrogen 2.358 N/A PHE 179.A N PHE 79.A O no hydrogen 2.770 N/A PHE 181.A N VAL 77.A O no hydrogen 3.321 N/A ASN 183.A ND2 ILE 220.A O no hydrogen 3.238 N/A TYR 187.A N ILE 184.A O no hydrogen 3.188 N/A LYS 189.A N LYS 182.A O no hydrogen 3.282 N/A ILE 190.A N VAL 214.A O no hydrogen 2.882 N/A ILE 197.A N PHE 173.A O no hydrogen 2.676 N/A SER 208.A OG GLU 178.A OE1 no hydrogen 3.079 N/A SER 208.A OG SER 208.A O no hydrogen 2.631 N/A LEU 213.A N ILE 190.A O no hydrogen 3.048 N/A VAL 214.A N ILE 190.A O no hydrogen 3.476 N/A LEU 216.A N PHE 188.A O no hydrogen 2.349 N/A THR 223.A N GLY 94.A O no hydrogen 3.420 N/A ARG 224.A NH2 VAL 70.A O no hydrogen 2.673 N/A PHE 225.A N LEU 71.A O no hydrogen 2.570 N/A GLN 226.A NE2 ASN 68.A O no hydrogen 3.525 N/A THR 227.A OG1 LEU 228.A O no hydrogen 3.403 N/A LEU 228.A N GLY 90.A O no hydrogen 2.819 N/A TYR 235.A OH TYR 132.A OH no hydrogen 2.480 N/A SER 239.A OG SER 234.A OG no hydrogen 3.356 N/A THR 242.A OG1 TRP 241.A O no hydrogen 2.639 N/A THR 242.A OG1 THR 242.A O no hydrogen 2.489 N/A TYR 249.A N ALA 80.A O no hydrogen 2.805 N/A VAL 250.A N THR 50.A O no hydrogen 2.904 N/A GLY 251.A N TYR 78.A O no hydrogen 2.673 N/A LEU 253.A N GLY 76.A O no hydrogen 2.858 N/A GLN 254.A N PHE 42.A O no hydrogen 3.287 N/A ARG 256.A N ASP 40.A O no hydrogen 3.361 N/A PHE 258.A N THR 38.A O no hydrogen 3.333 N/A LEU 259.A N VAL 272.A O no hydrogen 3.381 N/A LEU 260.A N HIS 36.A O no hydrogen 2.814 N/A LYS 261.A N ASP 270.A O no hydrogen 2.954 N/A ASN 263.A N THR 267.A O no hydrogen 2.781 N/A GLY 266.A N ASN 263.A O no hydrogen 3.161 N/A THR 267.A OG1 TYR 25.A OH no hydrogen 2.850 N/A ILE 268.A N TYR 25.A OH no hydrogen 3.182 N/A THR 269.A N LYS 261.A O no hydrogen 2.908 N/A VAL 272.A N LEU 259.A O no hydrogen 3.395 N/A CYS 274.A SG THR 257.A O no hydrogen 3.224 N/A SER 280.A N ASP 277.A OD1 no hydrogen 3.197 N/A SER 280.A OG ASP 277.A OD1 no hydrogen 2.887 N/A GLU 281.A N ASP 277.A O no hydrogen 3.114 N/A THR 282.A N PRO 278.A O no hydrogen 2.799 N/A THR 282.A OG1 PRO 278.A O no hydrogen 2.544 N/A LYS 283.A N LEU 279.A O no hydrogen 3.139 N/A CYS 284.A N SER 280.A O no hydrogen 3.381 N/A CYS 284.A SG ASP 273.A O no hydrogen 3.452 N/A CYS 284.A SG SER 280.A O no hydrogen 3.244 N/A THR 285.A OG1 THR 282.A O no hydrogen 2.508 N/A LEU 286.A N THR 282.A O no hydrogen 3.338 N/A LYS 287.A N CYS 284.A O no hydrogen 3.374 N/A SER 288.A N LYS 283.A O no hydrogen 3.327 N/A SER 288.A OG THR 290.A O no hydrogen 3.169 N/A THR 290.A N SER 288.A OG no hydrogen 3.293 N/A VAL 291.A N THR 585.A OG1 no hydrogen 2.914 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.623 N/A GLY 294.A N THR 582.A O no hydrogen 3.020 N/A TYR 296.A N VAL 580.A O no hydrogen 2.771 N/A TYR 296.A OH GLU 292.A O no hydrogen 2.678 N/A THR 298.A N VAL 578.A O no hydrogen 3.383 N/A THR 298.A OG1 VAL 578.A O no hydrogen 3.428 N/A PHE 301.A N GLY 576.A O no hydrogen 3.094 N/A THR 306.A OG1 GLU 307.A OE1 no hydrogen 2.311 N/A SER 308.A OG ASN 523.A O no hydrogen 3.216 N/A ILE 309.A N ASN 523.A O no hydrogen 3.333 N/A ARG 311.A NH2 GLN 563.A OE1 no hydrogen 2.858 N/A ASN 317.A ND2 ASN 343.A O no hydrogen 2.413 N/A CYS 319.A N VAL 345.A O no hydrogen 2.507 N/A PHE 321.A N CYS 319.A O no hydrogen 3.054 N/A VAL 324.A N PHE 321.A O no hydrogen 3.377 N/A PHE 325.A N PHE 321.A O no hydrogen 2.929 N/A ASN 326.A N GLY 322.A O no hydrogen 3.141 N/A ALA 331.A N SER 382.A OG no hydrogen 3.173 N/A TYR 334.A OH ASN 405.A OD1 no hydrogen 2.662 N/A ARG 338.A N TRP 336.A O no hydrogen 2.730 N/A ILE 341.A N VAL 378.A O no hydrogen 2.882 N/A SER 342.A OG ILE 341.A O no hydrogen 2.785 N/A SER 342.A OG THR 376.A O no hydrogen 3.308 N/A SER 342.A OG ASN 377.A OD1 no hydrogen 2.602 N/A CYS 344.A SG SER 342.A O no hydrogen 3.250 N/A SER 349.A OG ASP 347.A OD1 no hydrogen 3.255 N/A LEU 351.A N TYR 348.A O no hydrogen 3.054 N/A TYR 352.A N SER 349.A O no hydrogen 3.281 N/A ASN 353.A N VAL 350.A O no hydrogen 3.317 N/A SER 354.A OG LEU 351.A O no hydrogen 3.060 N/A THR 359.A N ALA 418.A O no hydrogen 2.970 N/A LYS 361.A N VAL 416.A O no hydrogen 3.469 N/A TYR 363.A N GLY 414.A O no hydrogen 2.484 N/A LYS 369.A N SER 366.A O no hydrogen 3.440 N/A PHE 375.A N VAL 507.A O no hydrogen 3.106 N/A ASN 377.A ND2 GLU 499.A OE2 no hydrogen 3.486 N/A VAL 378.A N ILE 341.A O no hydrogen 3.201 N/A PHE 383.A N VAL 493.A O no hydrogen 3.303 N/A ILE 385.A N TYR 491.A O no hydrogen 2.734 N/A GLY 387.A N GLN 489.A O no hydrogen 3.252 N/A ASP 388.A N GLY 487.A O no hydrogen 3.054 N/A GLU 389.A N ARG 386.A O no hydrogen 3.084 N/A VAL 390.A N GLY 387.A O no hydrogen 3.326 N/A ILE 393.A N VAL 390.A O no hydrogen 3.034 N/A GLN 397.A NE2 ARG 391.A O no hydrogen 3.158 N/A ASP 403.A N GLY 399.A O no hydrogen 2.778 N/A TYR 406.A N ILE 401.A O no hydrogen 2.665 N/A GLY 414.A N TYR 363.A O no hydrogen 2.821 N/A CYS 415.A N LEU 496.A O no hydrogen 3.210 N/A VAL 416.A N LYS 361.A O no hydrogen 3.140 N/A ILE 417.A N VAL 494.A O no hydrogen 2.760 N/A ALA 418.A N THR 359.A O no hydrogen 2.707 N/A TRP 419.A N ARG 492.A O no hydrogen 2.809 N/A SER 421.A OG ASP 425.A OD2 no hydrogen 2.334 N/A ASN 422.A ND2 GLN 489.A OE1 no hydrogen 2.517 N/A LEU 424.A N SER 421.A O no hydrogen 3.313 N/A ASP 425.A N SER 421.A O no hydrogen 2.949 N/A SER 426.A N ASN 422.A O no hydrogen 3.290 N/A SER 426.A OG ASN 422.A O no hydrogen 2.260 N/A GLY 430.A N LYS 427.A O no hydrogen 3.136 N/A ASN 431.A N PHE 480.A O no hydrogen 2.719 N/A ASN 431.A ND2 ASP 425.A O no hydrogen 2.524 N/A TYR 436.A N GLN 476.A O no hydrogen 2.380 N/A ARG 437.A N TYR 334.A OH no hydrogen 2.309 N/A SER 442.A OG ASN 443.A O no hydrogen 3.461 N/A SER 452.A OG ASP 450.A OD1 no hydrogen 3.355 N/A CYS 463.A SG PHE 469.A O no hydrogen 3.270 N/A ASN 470.A ND2 THR 461.A OG1 no hydrogen 2.439 N/A CYS 471.A SG ASN 470.A O no hydrogen 3.194 N/A GLN 476.A N TYR 436.A O no hydrogen 2.743 N/A TYR 478.A N TYR 434.A O no hydrogen 2.924 N/A TYR 478.A OH GLU 389.A OE1 no hydrogen 2.310 N/A GLN 481.A N ASN 484.A OD1 no hydrogen 2.794 N/A ASN 484.A ND2 GLN 481.A OE1 no hydrogen 3.357 N/A GLN 489.A N GLY 485.A O no hydrogen 2.983 N/A TYR 491.A N ILE 385.A O no hydrogen 2.691 N/A ARG 492.A N TRP 419.A O no hydrogen 2.875 N/A VAL 494.A N ILE 417.A O no hydrogen 2.646 N/A LEU 496.A N CYS 415.A O no hydrogen 2.980 N/A SER 497.A N TYR 379.A O no hydrogen 3.222 N/A PHE 498.A N THR 413.A O no hydrogen 2.948 N/A THR 506.A N PHE 375.A O no hydrogen 2.837 N/A THR 506.A OG1 PHE 375.A O no hydrogen 3.444 N/A THR 506.A OG1 THR 376.A O no hydrogen 2.518 N/A LYS 512.A NZ LYS 511.A O no hydrogen 2.956 N/A THR 514.A N VAL 310.A O no hydrogen 3.083 N/A LYS 520.A NZ THR 306.A OG1 no hydrogen 3.310 N/A LYS 520.A NZ GLU 307.A OE1 no hydrogen 3.473 N/A ASN 523.A N GLU 307.A O no hydrogen 3.361 N/A PHE 524.A N VAL 522.A O no hydrogen 2.743 N/A ASN 525.A ND2 ASP 372.A OD1 no hydrogen 2.821 N/A ASN 525.A ND2 ASP 372.A OD2 no hydrogen 2.936 N/A GLY 528.A N ASN 525.A O no hydrogen 3.416 N/A LEU 529.A N PHE 526.A O no hydrogen 2.899 N/A GLY 531.A N THR 530.A OG1 no hydrogen 2.651 N/A VAL 534.A N THR 571.A O no hydrogen 2.556 N/A THR 536.A N ASP 569.A O no hydrogen 3.360 N/A SER 538.A N ILE 567.A O no hydrogen 3.348 N/A SER 538.A OG ILE 567.A O no hydrogen 2.687 N/A GLN 546.A N LEU 543.A O no hydrogen 3.454 N/A GLY 549.A N ALA 558.A O no hydrogen 3.136 N/A ARG 550.A NH2 ASP 554.A OD1 no hydrogen 3.018 N/A THR 555.A OG1 ILE 552.A O no hydrogen 2.985 N/A ASP 557.A N GLY 549.A O no hydrogen 3.233 N/A ARG 560.A NH2 GLN 546.A O no hydrogen 2.939 N/A ASP 561.A N GLU 566.A O no hydrogen 2.442 N/A GLN 563.A NE2 PHE 312.A O no hydrogen 2.426 N/A GLN 563.A NE2 SER 513.A OG no hydrogen 2.744 N/A THR 564.A OG1 ASP 561.A OD2 no hydrogen 3.309 N/A LEU 565.A N ASP 561.A O no hydrogen 3.129 N/A LEU 568.A N VAL 559.A O no hydrogen 2.936 N/A ILE 570.A N ASP 557.A O no hydrogen 2.554 N/A THR 571.A N VAL 534.A O no hydrogen 3.401 N/A VAL 578.A N SER 299.A O no hydrogen 2.760 N/A SER 579.A N LEU 594.A O no hydrogen 2.747 N/A VAL 580.A N TYR 296.A O no hydrogen 2.732 N/A ILE 581.A N ALA 592.A O no hydrogen 3.019 N/A THR 582.A N GLY 294.A O no hydrogen 3.077 N/A THR 582.A OG1 GLU 292.A O no hydrogen 3.248 N/A THR 585.A OG1 VAL 291.A O no hydrogen 2.828 N/A SER 588.A N GLY 584.A O no hydrogen 3.482 N/A ALA 592.A N ILE 581.A O no hydrogen 3.321 N/A VAL 593.A N ILE 614.A O no hydrogen 3.303 N/A LEU 594.A N SER 579.A O no hydrogen 2.883 N/A GLN 596.A N GLY 577.A O no hydrogen 2.909 N/A GLN 596.A NE2 SER 579.A OG no hydrogen 2.635 N/A ASP 597.A N ALA 610.A O no hydrogen 3.222 N/A THR 601.A N ASN 599.A O no hydrogen 2.651 N/A THR 601.A OG1 ASN 599.A O no hydrogen 3.486 N/A PHE 606.A N LEU 613.A O no hydrogen 3.106 N/A THR 608.A N GLY 611.A O no hydrogen 2.586 N/A GLY 611.A N THR 608.A O no hydrogen 3.428 N/A CYS 612.A N TYR 595.A O no hydrogen 3.319 N/A LEU 613.A N PHE 606.A O no hydrogen 2.633 N/A ILE 614.A N VAL 593.A O no hydrogen 3.052 N/A GLY 615.A N ASN 604.A OD1 no hydrogen 3.173 N/A GLU 617.A N ILE 641.A O no hydrogen 3.089 N/A VAL 619.A N ALA 643.A O no hydrogen 3.000 N/A ILE 627.A N ALA 635.A O no hydrogen 2.981 N/A ILE 629.A N ILE 633.A O no hydrogen 2.959 N/A GLY 630.A N ILE 633.A O no hydrogen 3.119 N/A ILE 633.A N GLY 630.A O no hydrogen 3.150 N/A CYS 634.A N TYR 644.A O no hydrogen 3.041 N/A ALA 635.A N ILE 627.A O no hydrogen 2.772 N/A SER 636.A N ILE 642.A O no hydrogen 3.323 N/A SER 636.A OG ASP 626.A OD2 no hydrogen 2.722 N/A GLN 638.A N SER 640.A O no hydrogen 3.352 N/A ILE 642.A N SER 636.A O no hydrogen 3.284 N/A ALA 643.A N GLU 617.A O no hydrogen 2.995 N/A TYR 644.A N CYS 634.A O no hydrogen 3.411 N/A TYR 644.A OH GLU 624.A O no hydrogen 3.042 N/A MET 646.A N GLY 632.A O no hydrogen 3.392 N/A SER 647.A N TYR 623.A O no hydrogen 3.026 N/A SER 660.A OG SER 657.A O no hydrogen 3.366 N/A ILE 661.A N PHE 999.A O no hydrogen 2.687 N/A ILE 663.A N LYS 997.A O no hydrogen 3.294 N/A THR 665.A N GLN 995.A O no hydrogen 3.237 N/A THR 665.A OG1 GLN 995.A O no hydrogen 2.778 N/A ASN 666.A N ALA 994.A O no hydrogen 3.120 N/A ASN 666.A ND2 GLN 995.A OE1 no hydrogen 2.426 N/A THR 668.A N VAL 992.A O no hydrogen 3.056 N/A THR 668.A OG1 VAL 992.A O no hydrogen 2.543 N/A SER 670.A N THR 990.A O no hydrogen 3.142 N/A SER 670.A OG THR 990.A OG1 no hydrogen 3.173 N/A THR 672.A N HIS 988.A O no hydrogen 2.798 N/A THR 672.A OG1 HIS 988.A O no hydrogen 3.362 N/A GLU 674.A N PHE 986.A O no hydrogen 3.205 N/A LEU 676.A N VAL 984.A O no hydrogen 3.248 N/A VAL 678.A N HIS 982.A O no hydrogen 3.352 N/A SER 679.A OG HIS 982.A ND1 no hydrogen 3.213 N/A MET 680.A N GLN 723.A OE1 no hydrogen 2.837 N/A LYS 682.A NZ ASP 724.A OD1 no hydrogen 3.412 N/A LYS 682.A NZ ASP 724.A OD2 no hydrogen 2.662 N/A SER 684.A N THR 783.A O no hydrogen 3.201 N/A ASP 686.A N GLY 781.A O no hydrogen 3.083 N/A TYR 690.A N ASP 686.A O no hydrogen 3.283 N/A TYR 690.A OH LEU 886.A O no hydrogen 2.800 N/A ILE 691.A N CYS 687.A O no hydrogen 3.163 N/A CYS 692.A N THR 688.A O no hydrogen 3.440 N/A CYS 692.A SG CYS 698.A O no hydrogen 3.449 N/A CYS 698.A N SER 695.A O no hydrogen 3.143 N/A CYS 698.A N SER 695.A OG no hydrogen 3.253 N/A SER 699.A N SER 695.A O no hydrogen 2.816 N/A SER 699.A OG SER 695.A O no hydrogen 3.567 N/A SER 699.A OG THR 696.A O no hydrogen 3.015 N/A ASN 700.A N THR 696.A O no hydrogen 3.274 N/A ASN 700.A ND2 THR 696.A O no hydrogen 3.242 N/A LEU 702.A N SER 699.A O no hydrogen 3.057 N/A LEU 703.A N SER 699.A O no hydrogen 3.250 N/A LEU 703.A N ASN 700.A O no hydrogen 3.202 N/A TYR 705.A N LEU 702.A O no hydrogen 2.966 N/A TYR 705.A OH THR 922.A OG1 no hydrogen 2.717 N/A GLN 711.A N SER 707.A O no hydrogen 3.183 N/A LEU 712.A N PHE 708.A O no hydrogen 3.146 N/A ASN 713.A N CYS 709.A O no hydrogen 3.082 N/A ARG 714.A N THR 710.A O no hydrogen 2.883 N/A ALA 715.A N GLN 711.A O no hydrogen 2.801 N/A LEU 716.A N LEU 712.A O no hydrogen 2.971 N/A THR 717.A N ASN 713.A O no hydrogen 3.317 N/A THR 717.A OG1 ASN 713.A O no hydrogen 3.320 N/A THR 717.A OG1 ARG 714.A O no hydrogen 2.733 N/A GLY 718.A N ARG 714.A O no hydrogen 3.259 N/A ALA 720.A N THR 717.A O no hydrogen 3.077 N/A VAL 721.A N THR 717.A O no hydrogen 3.099 N/A GLN 723.A N ALA 720.A O no hydrogen 3.271 N/A LYS 725.A N GLU 722.A O no hydrogen 2.887 N/A ASN 726.A N GLU 722.A O no hydrogen 3.291 N/A ASN 726.A ND2 VAL 678.A O no hydrogen 3.636 N/A GLN 728.A N ASP 724.A O no hydrogen 3.395 N/A GLU 729.A N LYS 725.A O no hydrogen 2.836 N/A VAL 730.A N ASN 726.A O no hydrogen 3.101 N/A PHE 731.A N THR 727.A O no hydrogen 2.920 N/A GLN 733.A N PHE 731.A O no hydrogen 2.728 N/A GLN 733.A NE2 GLU 729.A O no hydrogen 2.272 N/A LYS 735.A NZ LYS 735.A O no hydrogen 3.102 N/A LYS 744.A NZ PRO 741.A O no hydrogen 3.185 N/A LYS 744.A NZ PRO 742.A O no hydrogen 3.170 N/A ASN 750.A N ASN 852.A OD1 no hydrogen 3.266 N/A ILE 754.A N PHE 751.A O no hydrogen 3.024 N/A LEU 755.A N PHE 751.A O no hydrogen 2.517 N/A ASP 757.A N ARG 764.A O no hydrogen 2.530 N/A SER 759.A OG SER 759.A O no hydrogen 2.620 N/A LYS 760.A NZ ASP 769.A OD2 no hydrogen 3.210 N/A SER 762.A OG PRO 761.A O no hydrogen 2.303 N/A LYS 763.A N LYS 760.A O no hydrogen 3.206 N/A SER 765.A OG GLN 753.A O no hydrogen 2.710 N/A SER 765.A OG LEU 755.A O no hydrogen 3.093 N/A ILE 767.A N GLN 753.A O no hydrogen 3.335 N/A ASP 769.A N SER 765.A O no hydrogen 2.981 N/A LEU 770.A N PHE 766.A O no hydrogen 3.307 N/A LEU 771.A N ILE 767.A O no hydrogen 2.968 N/A PHE 772.A N GLU 768.A O no hydrogen 3.062 N/A PHE 772.A N ASP 769.A O no hydrogen 3.207 N/A ASN 773.A N LEU 770.A O no hydrogen 3.202 N/A LYS 774.A NZ SER 863.A O no hydrogen 2.805 N/A LYS 778.A NZ THR 783.A OG1 no hydrogen 2.756 N/A THR 783.A N SER 684.A O no hydrogen 3.299 N/A GLU 792.A N ASP 791.A OD1 no hydrogen 2.955 N/A MET 793.A N THR 790.A O no hydrogen 2.897 N/A MET 793.A N THR 790.A OG1 no hydrogen 3.142 N/A ILE 794.A N THR 790.A O no hydrogen 2.837 N/A ALA 795.A N ASP 791.A O no hydrogen 3.400 N/A GLN 796.A N MET 793.A O no hydrogen 3.139 N/A THR 798.A N ILE 794.A O no hydrogen 3.181 N/A THR 798.A OG1 ALA 795.A O no hydrogen 3.059 N/A SER 799.A N ALA 795.A O no hydrogen 3.007 N/A ALA 800.A N GLN 796.A O no hydrogen 3.144 N/A LEU 801.A N TYR 797.A O no hydrogen 2.764 N/A LEU 802.A N THR 798.A O no hydrogen 2.749 N/A ALA 803.A N SER 799.A O no hydrogen 2.577 N/A THR 805.A N LEU 801.A O no hydrogen 3.390 N/A THR 805.A OG1 VAL 957.A O no hydrogen 3.419 N/A THR 807.A N GLY 804.A O no hydrogen 3.481 N/A SER 808.A N GLY 804.A O no hydrogen 3.051 N/A SER 808.A OG GLY 804.A O no hydrogen 2.872 N/A THR 811.A OG1 SER 808.A O no hydrogen 3.418 N/A GLY 813.A N TRP 810.A O no hydrogen 3.198 N/A ALA 814.A N THR 811.A O no hydrogen 3.053 N/A MET 824.A N PRO 821.A O no hydrogen 3.219 N/A GLN 825.A N PRO 821.A O no hydrogen 2.774 N/A MET 826.A N PHE 822.A O no hydrogen 3.185 N/A ALA 827.A N MET 824.A O no hydrogen 3.064 N/A TYR 828.A N GLN 825.A O no hydrogen 3.121 N/A ARG 829.A N MET 826.A O no hydrogen 3.159 N/A ARG 829.A NH1 LEU 973.A O no hydrogen 2.235 N/A PHE 830.A N MET 826.A O no hydrogen 3.103 N/A ILE 833.A N PHE 830.A O no hydrogen 2.960 N/A THR 836.A N GLN 1030.A OE1 no hydrogen 3.202 N/A VAL 839.A N THR 836.A O no hydrogen 3.266 N/A GLU 842.A N ASN 838.A O no hydrogen 3.027 N/A ASN 843.A N LEU 840.A O no hydrogen 2.994 N/A ILE 847.A N ASN 843.A O no hydrogen 3.020 N/A ALA 848.A N GLN 844.A O no hydrogen 3.045 N/A ASN 849.A N LYS 845.A O no hydrogen 2.903 N/A GLN 850.A N LEU 846.A O no hydrogen 2.992 N/A GLN 850.A NE2 PHE 667.A O no hydrogen 3.577 N/A PHE 851.A N ILE 847.A O no hydrogen 2.857 N/A ASN 852.A N ALA 848.A O no hydrogen 2.910 N/A ASN 852.A ND2 GLY 748.A O no hydrogen 2.787 N/A SER 853.A N ASN 849.A O no hydrogen 2.965 N/A SER 853.A OG ASN 849.A O no hydrogen 3.196 N/A SER 853.A OG GLN 850.A O no hydrogen 3.190 N/A ALA 854.A N GLN 850.A O no hydrogen 3.009 N/A ILE 855.A N PHE 851.A O no hydrogen 3.360 N/A GLY 856.A N ASN 852.A O no hydrogen 3.387 N/A LYS 857.A N SER 853.A O no hydrogen 3.290 N/A ILE 858.A N ILE 855.A O no hydrogen 3.046 N/A SER 861.A N LYS 857.A O no hydrogen 2.750 N/A LEU 862.A N GLN 859.A O no hydrogen 3.297 N/A SER 863.A N GLN 859.A O no hydrogen 3.007 N/A SER 864.A N ASP 860.A O no hydrogen 3.052 N/A SER 864.A OG ASP 860.A O no hydrogen 2.357 N/A THR 865.A OG1 SER 861.A O no hydrogen 2.274 N/A THR 865.A OG1 LEU 862.A O no hydrogen 3.443 N/A SER 867.A OG ALA 866.A O no hydrogen 2.497 N/A LEU 872.A N LEU 869.A O no hydrogen 2.970 N/A GLN 873.A N LEU 869.A O no hydrogen 2.888 N/A GLN 873.A NE2 ASN 877.A OD1 no hydrogen 3.642 N/A ASP 874.A N GLY 870.A O no hydrogen 2.914 N/A ASN 877.A N GLN 873.A O no hydrogen 2.870 N/A GLN 878.A N ASP 874.A O no hydrogen 2.802 N/A ASN 879.A N VAL 875.A O no hydrogen 3.303 N/A ALA 880.A N VAL 876.A O no hydrogen 3.054 N/A GLN 881.A N ASN 877.A O no hydrogen 2.979 N/A LEU 883.A N ASN 879.A O no hydrogen 3.117 N/A ASN 884.A N ALA 880.A O no hydrogen 2.770 N/A THR 885.A N GLN 881.A O no hydrogen 3.023 N/A THR 885.A OG1 GLN 881.A O no hydrogen 3.298 N/A THR 885.A OG1 ALA 882.A O no hydrogen 2.789 N/A LEU 886.A N LEU 883.A O no hydrogen 3.153 N/A VAL 887.A N LEU 883.A O no hydrogen 3.434 N/A LYS 888.A N ASN 884.A O no hydrogen 3.336 N/A LEU 890.A N VAL 887.A O no hydrogen 3.001 N/A SER 891.A N LYS 888.A O no hydrogen 3.366 N/A SER 891.A OG LYS 888.A O no hydrogen 3.159 N/A SER 892.A OG GLN 889.A O no hydrogen 3.001 N/A ALA 896.A N ASN 893.A O no hydrogen 2.989 N/A ILE 897.A N GLN 916.A OE1 no hydrogen 3.069 N/A SER 899.A OG LEU 890.A O no hydrogen 3.152 N/A SER 899.A OG SER 892.A O no hydrogen 2.593 N/A ILE 904.A N LEU 901.A O no hydrogen 2.947 N/A LEU 905.A N LEU 901.A O no hydrogen 2.976 N/A SER 906.A N ASN 902.A O no hydrogen 2.958 N/A SER 906.A OG ASN 902.A O no hydrogen 2.419 N/A ARG 907.A NE ASP 903.A OD2 no hydrogen 3.078 N/A ARG 907.A NH2 ASP 903.A OD2 no hydrogen 3.014 N/A LEU 908.A N ILE 904.A O no hydrogen 3.113 N/A ALA 913.A N ASP 909.A O no hydrogen 3.096 N/A ALA 913.A N PRO 910.A O no hydrogen 2.954 N/A ILE 917.A N ALA 913.A O no hydrogen 3.038 N/A ASP 918.A N GLU 914.A O no hydrogen 3.058 N/A ARG 919.A N VAL 915.A O no hydrogen 2.971 N/A LEU 920.A N GLN 916.A O no hydrogen 3.362 N/A ILE 921.A N ILE 917.A O no hydrogen 2.787 N/A THR 922.A N ASP 918.A O no hydrogen 2.912 N/A THR 922.A OG1 TYR 705.A OH no hydrogen 2.717 N/A THR 922.A OG1 ASP 918.A O no hydrogen 3.109 N/A GLY 923.A N ARG 919.A O no hydrogen 3.020 N/A ARG 924.A N LEU 920.A O no hydrogen 2.759 N/A ARG 924.A NH1 ILE 691.A O no hydrogen 3.106 N/A LEU 925.A N ILE 921.A O no hydrogen 2.956 N/A GLN 926.A N THR 922.A O no hydrogen 2.968 N/A SER 927.A N GLY 923.A O no hydrogen 2.947 N/A SER 927.A OG ARG 924.A O no hydrogen 2.475 N/A LEU 928.A N LEU 925.A O no hydrogen 3.036 N/A GLN 929.A N LEU 925.A O no hydrogen 3.005 N/A VAL 932.A N LEU 928.A O no hydrogen 3.298 N/A THR 933.A N GLN 929.A O no hydrogen 3.324 N/A THR 933.A OG1 THR 930.A O no hydrogen 2.439 N/A THR 933.A OG1 GLN 934.A OE1 no hydrogen 3.327 N/A GLN 934.A N THR 930.A O no hydrogen 2.938 N/A GLN 935.A N TYR 931.A O no hydrogen 3.268 N/A LEU 936.A N VAL 932.A O no hydrogen 2.713 N/A ILE 937.A N THR 933.A O no hydrogen 2.791 N/A ARG 938.A N GLN 934.A O no hydrogen 3.033 N/A ARG 938.A NE GLN 935.A OE1 no hydrogen 3.495 N/A ARG 938.A NH2 GLN 935.A OE1 no hydrogen 3.322 N/A ALA 939.A N GLN 935.A O no hydrogen 2.793 N/A ALA 940.A N ILE 937.A O no hydrogen 3.053 N/A GLU 941.A N ILE 937.A O no hydrogen 3.287 N/A ARG 943.A N ALA 939.A O no hydrogen 3.217 N/A ALA 944.A N ALA 940.A O no hydrogen 2.972 N/A SER 945.A N ILE 942.A O no hydrogen 2.912 N/A SER 945.A OG PRO 677.A O no hydrogen 2.675 N/A SER 945.A OG ILE 942.A O no hydrogen 2.683 N/A ALA 946.A N ILE 942.A O no hydrogen 2.505 N/A ASN 947.A N ARG 943.A O no hydrogen 2.770 N/A ALA 949.A N SER 945.A O no hydrogen 2.834 N/A ALA 950.A N ALA 946.A O no hydrogen 3.197 N/A THR 951.A N ASN 947.A O no hydrogen 3.026 N/A THR 951.A OG1 LEU 948.A O no hydrogen 2.907 N/A LYS 952.A N LEU 948.A O no hydrogen 2.852 N/A MET 953.A N ALA 950.A O no hydrogen 3.287 N/A SER 954.A N ALA 950.A O no hydrogen 3.152 N/A SER 954.A OG GLN 733.A OE1 no hydrogen 3.441 N/A SER 954.A OG ALA 950.A O no hydrogen 3.198 N/A CYS 956.A SG SER 961.A OG no hydrogen 3.663 N/A VAL 957.A N MET 953.A O no hydrogen 3.201 N/A GLN 960.A NE2 ARG 829.A O no hydrogen 3.467 N/A GLN 960.A NE2 HIS 972.A O no hydrogen 2.867 N/A LYS 962.A NZ GLY 832.A O no hydrogen 3.232 N/A LYS 969.A NZ ASP 965.A OD1 no hydrogen 3.034 N/A HIS 972.A ND1 CYS 967.A O no hydrogen 3.323 N/A HIS 972.A NE2 CYS 956.A O no hydrogen 3.166 N/A LEU 973.A N VAL 989.A O no hydrogen 3.030 N/A SER 975.A N CYS 956.A O no hydrogen 2.892 N/A SER 975.A OG CYS 956.A O no hydrogen 3.428 N/A PHE 976.A N LEU 987.A O no hydrogen 3.376 N/A GLN 978.A N VAL 985.A O no hydrogen 2.713 N/A GLN 978.A NE2 ILE 754.A O no hydrogen 3.566 N/A HIS 982.A ND1 SER 679.A OG no hydrogen 3.213 N/A GLY 983.A N ALA 980.A O no hydrogen 3.335 N/A VAL 984.A N LEU 676.A O no hydrogen 3.213 N/A VAL 985.A N GLN 978.A O no hydrogen 2.909 N/A PHE 986.A N GLU 674.A O no hydrogen 2.953 N/A HIS 988.A N THR 672.A O no hydrogen 2.842 N/A HIS 988.A NE2 GLU 674.A OE1 no hydrogen 2.346 N/A VAL 989.A N MET 974.A O no hydrogen 3.255 N/A THR 990.A N SER 670.A O no hydrogen 3.029 N/A THR 990.A OG1 SER 670.A OG no hydrogen 3.173 N/A THR 990.A OG1 LYS 969.A O no hydrogen 3.343 N/A VAL 992.A N THR 668.A O no hydrogen 2.999 N/A ALA 994.A N ASN 666.A O no hydrogen 2.695 N/A PHE 999.A N ILE 661.A O no hydrogen 2.627 N/A THR 1000.A N SER 1021.A O no hydrogen 3.167 N/A THR 1001.A OG1 PHE 1019.A O no hydrogen 2.818 N/A CYS 1006.A N VAL 1057.A O no hydrogen 3.386 N/A CYS 1006.A SG CYS 1050.A O no hydrogen 3.449 N/A HIS 1007.A N LYS 1010.A O no hydrogen 3.124 N/A LYS 1010.A N HIS 1007.A O no hydrogen 3.198 N/A HIS 1012.A N ILE 1005.A O no hydrogen 3.340 N/A PHE 1013.A N PHE 1045.A O no hydrogen 3.252 N/A ARG 1015.A N ASN 1043.A O no hydrogen 2.997 N/A VAL 1018.A N THR 1029.A O no hydrogen 2.810 N/A VAL 1020.A N PHE 1027.A O no hydrogen 2.837 N/A SER 1021.A OG HIS 1025.A O no hydrogen 3.515 N/A GLY 1023.A N SER 1021.A OG no hydrogen 3.183 N/A PHE 1027.A N VAL 1020.A O no hydrogen 2.778 N/A VAL 1028.A N GLN 1037.A O no hydrogen 2.937 N/A THR 1029.A N VAL 1018.A O no hydrogen 3.243 N/A THR 1029.A OG1 GLN 1030.A O no hydrogen 3.528 N/A THR 1029.A OG1 PHE 1033.A O no hydrogen 3.156 N/A GLU 1035.A N THR 1029.A OG1 no hydrogen 2.709 N/A THR 1040.A OG1 ASP 1042.A OD1 no hydrogen 2.258 N/A THR 1041.A N TYR 1062.A O no hydrogen 3.116 N/A ASN 1043.A N THR 1040.A O no hydrogen 3.400 N/A ASN 1043.A ND2 GLN 1037.A OE1 no hydrogen 3.556 N/A THR 1044.A OG1 THR 1040.A O no hydrogen 3.434 N/A PHE 1045.A N PHE 1013.A O no hydrogen 3.028 N/A SER 1047.A N ALA 1011.A O no hydrogen 3.145 N/A CYS 1050.A N GLY 1009.A O no hydrogen 3.343 N/A ASP 1051.A N ASN 1049.A O no hydrogen 2.789 N/A THR 1060.A N ASN 1059.A OD1 no hydrogen 2.444 N/A VAL 1061.A N HIS 1007.A ND1 no hydrogen 3.267 N/A TYR 1062.A N ILE 1039.A O no hydrogen 2.964 N/A LEU 1065.A N ASP 1063.A OD1 no hydrogen 2.941 N/A LEU 1069.A N GLN 1066.A O no hydrogen 3.285 N/A