Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 10.A N THR 167.A O no hydrogen 2.668 N/A SER 12.A OG GLU 15.A OE1 no hydrogen 3.097 N/A ILE 16.A N SER 12.A O no hydrogen 2.653 N/A ARG 17.A N PRO 13.A O no hydrogen 3.150 N/A ARG 17.A NE GLU 59.A OE1 no hydrogen 3.071 N/A ARG 17.A NE GLU 59.A OE2 no hydrogen 3.207 N/A ARG 17.A NH2 GLU 59.A OE2 no hydrogen 2.955 N/A LYS 18.A N ASP 14.A O no hydrogen 3.003 N/A LYS 18.A NZ ASP 14.A OD2 no hydrogen 2.496 N/A MET 19.A N GLU 15.A O no hydrogen 3.300 N/A SER 20.A N ILE 16.A O no hydrogen 3.015 N/A SER 20.A OG THR 22.A O no hydrogen 2.855 N/A SER 20.A OG PHE 55.A O no hydrogen 3.216 N/A SER 20.A OG HIS 57.A ND1 no hydrogen 3.243 N/A VAL 21.A N PHE 55.A O no hydrogen 2.775 N/A THR 22.A N SER 20.A OG no hydrogen 2.989 N/A THR 22.A OG1 VAL 21.A O no hydrogen 2.720 N/A CYS 41.A SG ASN 46.A OD1 no hydrogen 3.366 N/A CYS 41.A SG HIS 54.A NE2 no hydrogen 3.536 N/A CYS 44.A SG PRO 42.A O no hydrogen 4.008 N/A CYS 51.A SG ASN 46.A OD1 no hydrogen 3.590 N/A CYS 51.A SG HIS 54.A NE2 no hydrogen 2.261 N/A GLY 56.A N VAL 180.A O no hydrogen 2.956 N/A HIS 57.A N THR 22.A O no hydrogen 3.332 N/A HIS 57.A ND1 THR 22.A O no hydrogen 2.672 N/A ILE 58.A N LEU 178.A O no hydrogen 2.844 N/A GLY 68.A N HIS 66.A ND1 no hydrogen 3.105 N/A LEU 69.A N HIS 66.A ND1 no hydrogen 3.222 N/A HIS 72.A N LEU 69.A O no hydrogen 3.227 N/A HIS 72.A ND1 TYR 163.A OH no hydrogen 2.968 N/A ILE 73.A N LEU 69.A O no hydrogen 3.465 N/A TYR 74.A N VAL 70.A O no hydrogen 2.889 N/A TYR 74.A OH GLN 136.A O no hydrogen 2.118 N/A GLU 75.A N HIS 72.A O no hydrogen 2.721 N/A PHE 76.A N HIS 72.A O no hydrogen 2.670 N/A LYS 78.A N GLU 75.A O no hydrogen 2.863 N/A ALA 79.A N PHE 76.A O no hydrogen 3.071 N/A CYS 81.A N GLY 85.A O no hydrogen 2.869 N/A LYS 88.A NZ GLU 91.A OE1 no hydrogen 3.561 N/A GLU 93.A N SER 90.A O no hydrogen 3.098 N/A LYS 96.A N GLU 93.A O no hydrogen 3.269 N/A ILE 100.A N LYS 96.A O no hydrogen 3.358 N/A TYR 101.A N TYR 97.A O no hydrogen 2.930 N/A ASN 102.A N ILE 100.A O no hydrogen 2.844 N/A ASN 102.A ND2 SER 98.A O no hydrogen 3.060 N/A ALA 112.A N TRP 108.A O no hydrogen 2.672 N/A ARG 113.A N PRO 109.A O no hydrogen 2.832 N/A LEU 115.A N ALA 111.A O no hydrogen 3.039 N/A LEU 115.A N ALA 112.A O no hydrogen 3.254 N/A THR 116.A OG1 ALA 112.A O no hydrogen 2.651 N/A VAL 119.A N THR 116.A O no hydrogen 3.048 N/A LYS 120.A N THR 116.A O no hydrogen 3.219 N/A LYS 121.A N GLU 117.A O no hydrogen 2.750 N/A THR 122.A N TYR 118.A O no hydrogen 3.194 N/A THR 122.A OG1 TYR 118.A O no hydrogen 2.508 N/A GLN 127.A N LYS 125.A O no hydrogen 2.979 N/A CYS 129.A SG CYS 81.A O no hydrogen 3.018 N/A CYS 129.A SG LYS 125.A O no hydrogen 3.092 N/A CYS 132.A SG ALA 123.A O no hydrogen 3.701 N/A CYS 132.A SG MET 124.A O no hydrogen 3.758 N/A THR 142.A OG1 ASP 145.A OD1 no hydrogen 3.164 N/A ASP 145.A N THR 142.A O no hydrogen 3.254 N/A ILE 146.A N THR 142.A O no hydrogen 3.083 N/A ILE 146.A N PRO 143.A O no hydrogen 2.900 N/A ARG 147.A N PRO 143.A O no hydrogen 3.344 N/A ARG 147.A NE ILE 174.A O no hydrogen 3.461 N/A ARG 149.A N ASP 145.A O no hydrogen 2.719 N/A LEU 150.A N ARG 147.A O no hydrogen 3.169 N/A GLU 151.A N ARG 147.A O no hydrogen 2.754 N/A LYS 152.A NZ GLU 148.A O no hydrogen 3.202 N/A ILE 153.A N LEU 150.A O no hydrogen 2.851 N/A VAL 158.A N PRO 154.A O no hydrogen 2.692 N/A GLY 162.A N GLU 159.A O no hydrogen 2.913 N/A TYR 163.A OH HIS 72.A ND1 no hydrogen 2.968 N/A THR 166.A OG1 PRO 165.A O no hydrogen 2.233 N/A THR 167.A OG1 ASP 164.A O no hydrogen 2.942 N/A THR 167.A OG1 ASP 164.A OD1 no hydrogen 3.500 N/A SER 168.A N ASP 164.A O no hydrogen 2.812 N/A ARG 169.A NH2 ILE 10.A O no hydrogen 3.208 N/A TRP 172.A N ARG 169.A O no hydrogen 2.936 N/A MET 173.A N ARG 169.A O no hydrogen 3.343 N/A ILE 183.A N LEU 32.A O no hydrogen 3.465 N/A ARG 186.A N ILE 183.A O no hydrogen 2.662 N/A ARG 186.A NE PRO 181.A O no hydrogen 3.042 N/A SER 188.A OG GLU 189.A OE1 no hydrogen 2.864 N/A THR 193.A N ASP 190.A O no hydrogen 2.861 N/A THR 193.A OG1 ARG 186.A O no hydrogen 3.273 N/A THR 193.A OG1 ASP 190.A O no hydrogen 3.075 N/A HIS 194.A N ASP 190.A O no hydrogen 3.185 N/A LYS 195.A NZ TYR 233.A O no hydrogen 3.073 N/A VAL 197.A N THR 193.A O no hydrogen 3.104 N/A VAL 197.A N HIS 194.A O no hydrogen 2.792 N/A ASP 198.A N HIS 194.A O no hydrogen 3.125 N/A ARG 201.A N VAL 197.A O no hydrogen 3.069 N/A ASN 203.A N ILE 199.A O no hydrogen 2.854 N/A GLU 204.A N VAL 200.A O no hydrogen 2.771 N/A ARG 205.A N ARG 201.A O no hydrogen 3.270 N/A LYS 207.A N GLU 204.A O no hydrogen 3.473 N/A SER 209.A OG ARG 205.A O no hydrogen 3.521 N/A ASP 211.A N LYS 207.A O no hydrogen 3.218 N/A ILE 218.A N PRO 215.A O no hydrogen 2.939 N/A ILE 219.A N PRO 215.A O no hydrogen 2.958 N/A ASP 221.A N ILE 218.A O no hydrogen 3.442 N/A LEU 222.A N ILE 219.A O no hydrogen 3.177 N/A GLN 227.A N ASP 224.A O no hydrogen 2.886 N/A GLN 227.A NE2 TRP 223.A O no hydrogen 3.687 N/A VAL 230.A N LEU 226.A O no hydrogen 3.205 N/A THR 232.A OG1 TYR 228.A O no hydrogen 3.307 N/A THR 232.A OG1 SER 244.A OG no hydrogen 3.239 N/A TYR 233.A N HIS 229.A O no hydrogen 2.752 N/A PHE 234.A N VAL 230.A O no hydrogen 3.065 N/A ASP 235.A N ALA 231.A O no hydrogen 2.996 N/A ASN 236.A ND2 SER 244.A O no hydrogen 3.396 N/A ASN 236.A ND2 LEU 252.A O no hydrogen 2.642 N/A SER 244.A OG THR 232.A OG1 no hydrogen 3.239 N/A SER 244.A OG ASN 236.A OD1 no hydrogen 2.821 N/A GLY 249.A N HIS 246.A O no hydrogen 2.890 N/A LEU 252.A N SER 244.A O no hydrogen 3.284 N/A ARG 253.A NH1 ASP 191.A OD1 no hydrogen 3.262 N/A THR 254.A OG1 THR 232.A O no hydrogen 3.016 N/A THR 254.A OG1 PHE 234.A O no hydrogen 3.120 N/A ALA 256.A N PHE 234.A O no hydrogen 2.592 N/A ARG 258.A N THR 254.A O no hydrogen 2.953 N/A GLY 264.A N GLY 261.A O no hydrogen 2.667 N/A ASN 269.A N ARG 265.A O no hydrogen 3.367 N/A LEU 270.A N ARG 265.A O no hydrogen 2.845 N/A SER 271.A N PHE 266.A O no hydrogen 2.846 N/A LYS 273.A NZ LEU 270.A O no hydrogen 3.262 N/A SER 278.A N VAL 275.A O no hydrogen 3.408 N/A THR 281.A N MET 419.A O no hydrogen 3.317 N/A SER 284.A N PHE 400.A O no hydrogen 2.892 N/A SER 284.A OG THR 399.A OG1 no hydrogen 2.779 N/A ASP 286.A N LEU 402.A O no hydrogen 3.037 N/A SER 290.A N GLU 293.A OE1 no hydrogen 2.926 N/A SER 290.A OG ASP 586.A OD1 no hydrogen 3.294 N/A SER 290.A OG ASP 586.A OD2 no hydrogen 2.896 N/A ILE 291.A N ASP 586.A OD1 no hydrogen 2.536 N/A ASP 292.A N SER 290.A OG no hydrogen 3.259 N/A VAL 294.A N ARG 391.A O no hydrogen 2.599 N/A GLY 295.A N ARG 401.A O no hydrogen 3.173 N/A VAL 296.A N ARG 393.A O no hydrogen 3.096 N/A ALA 301.A N PRO 297.A O no hydrogen 2.706 N/A LYS 302.A N GLU 298.A O no hydrogen 2.952 N/A LYS 302.A N ILE 299.A O no hydrogen 2.494 N/A LYS 302.A NZ ASP 327.A O no hydrogen 2.350 N/A THR 303.A N ILE 299.A O no hydrogen 2.767 N/A THR 303.A OG1 ILE 299.A O no hydrogen 2.950 N/A LEU 304.A N ILE 300.A O no hydrogen 3.267 N/A THR 305.A OG1 GLU 365.A OE2 no hydrogen 3.208 N/A VAL 306.A N ARG 366.A O no hydrogen 3.115 N/A GLU 308.A N VAL 306.A O no hydrogen 3.077 N/A ARG 309.A NE GLU 427.A OE1 no hydrogen 3.166 N/A ARG 309.A NE GLU 427.A OE2 no hydrogen 3.340 N/A ARG 309.A NH2 GLU 427.A OE1 no hydrogen 2.790 N/A ILE 310.A N TYR 362.A O no hydrogen 2.947 N/A THR 311.A N ASN 314.A OD1 no hydrogen 3.101 N/A THR 311.A OG1 PRO 312.A O no hydrogen 3.338 N/A THR 311.A OG1 ASN 314.A OD1 no hydrogen 2.724 N/A GLU 316.A N TRP 313.A O no hydrogen 3.238 N/A LEU 318.A N ASN 314.A O no hydrogen 2.715 N/A ARG 319.A N ILE 315.A O no hydrogen 3.146 N/A GLN 320.A N GLU 316.A O no hydrogen 3.003 N/A PHE 321.A N LYS 317.A O no hydrogen 3.173 N/A VAL 322.A N LEU 318.A O no hydrogen 3.363 N/A ILE 323.A N ARG 319.A O no hydrogen 3.024 N/A ASN 324.A N GLN 320.A O no hydrogen 3.132 N/A GLY 325.A N PHE 321.A O no hydrogen 2.648 N/A TRP 329.A NE1 LEU 368.A O no hydrogen 3.227 N/A ALA 332.A N GLY 325.A O no hydrogen 2.612 N/A ASN 333.A ND2 ASN 333.A O no hydrogen 3.119 N/A ARG 337.A N ARG 341.A O no hydrogen 3.052 N/A GLY 340.A N ARG 337.A O no hydrogen 3.156 N/A LEU 345.A N ASP 344.A OD2 no hydrogen 2.347 N/A ARG 346.A N ASP 344.A OD2 no hydrogen 2.566 N/A ARG 351.A NE ILE 323.A O no hydrogen 2.964 N/A ARG 351.A NH2 ILE 323.A O no hydrogen 3.551 N/A ARG 351.A NH2 ASN 324.A O no hydrogen 2.917 N/A ALA 355.A N ARG 351.A O no hydrogen 2.598 N/A SER 356.A N GLU 353.A O no hydrogen 2.890 N/A SER 356.A OG GLU 353.A O no hydrogen 2.787 N/A TYR 362.A N ALA 359.A O no hydrogen 3.272 N/A ILE 363.A N ILE 336.A O no hydrogen 3.108 N/A ILE 364.A N GLU 308.A O no hydrogen 3.164 N/A GLU 365.A N TYR 334.A O no hydrogen 3.234 N/A ARG 366.A N VAL 306.A O no hydrogen 3.125 N/A ARG 366.A NE HIS 367.A O no hydrogen 3.277 N/A HIS 367.A N GLY 331.A O no hydrogen 2.419 N/A LEU 368.A N ALA 301.A O no hydrogen 3.016 N/A GLY 371.A N VAL 392.A O no hydrogen 3.072 N/A VAL 374.A N HIS 390.A O no hydrogen 2.800 N/A LEU 375.A N HIS 422.A O no hydrogen 2.910 N/A PHE 376.A N MET 388.A O no hydrogen 2.875 N/A ASN 377.A N ASN 420.A O no hydrogen 2.955 N/A ASN 377.A ND2 SER 386.A O no hydrogen 2.894 N/A SER 386.A N HIS 383.A O no hydrogen 2.487 N/A MET 387.A N ARG 384.A O no hydrogen 3.365 N/A MET 388.A N PHE 376.A O no hydrogen 3.037 N/A ALA 389.A N MET 437.A O no hydrogen 2.581 N/A HIS 390.A N VAL 374.A O no hydrogen 2.699 N/A HIS 390.A ND1 GLU 293.A O no hydrogen 3.293 N/A HIS 390.A NE2 TYR 410.A OH no hydrogen 2.517 N/A VAL 392.A N ASP 372.A O no hydrogen 3.089 N/A ARG 393.A N VAL 294.A O no hydrogen 2.673 N/A VAL 394.A N ASP 370.A OD2 no hydrogen 3.163 N/A LEU 395.A N VAL 296.A O no hydrogen 2.719 N/A THR 399.A OG1 SER 284.A OG no hydrogen 2.779 N/A PHE 400.A N VAL 282.A O no hydrogen 2.947 N/A ARG 401.A N GLY 295.A O no hydrogen 2.926 N/A ARG 401.A NE THR 399.A O no hydrogen 3.252 N/A ARG 401.A NH2 LYS 396.A O no hydrogen 2.534 N/A LEU 402.A N SER 284.A O no hydrogen 3.168 N/A VAL 406.A N ASN 403.A O no hydrogen 2.540 N/A CYS 407.A N LEU 404.A O no hydrogen 3.340 N/A CYS 407.A SG LEU 404.A O no hydrogen 3.427 N/A CYS 407.A SG ALA 412.A O no hydrogen 3.444 N/A TYR 410.A OH HIS 390.A NE2 no hydrogen 2.517 N/A ASN 411.A N CYS 407.A O no hydrogen 2.840 N/A MET 419.A N THR 281.A O no hydrogen 3.052 N/A ASN 420.A N ASN 377.A O no hydrogen 2.618 N/A ASN 420.A ND2 ASN 377.A OD1 no hydrogen 3.586 N/A LEU 421.A N SER 279.A O no hydrogen 2.584 N/A HIS 422.A N LEU 375.A O no hydrogen 2.850 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.983 N/A ILE 430.A N SER 426.A O no hydrogen 2.965 N/A ALA 431.A N GLU 427.A O no hydrogen 3.201 N/A GLU 432.A N GLU 428.A O no hydrogen 2.594 N/A ALA 433.A N ALA 429.A O no hydrogen 2.755 N/A LYS 434.A N ILE 430.A O no hydrogen 2.843 N/A GLU 435.A N ALA 431.A O no hydrogen 2.878 N/A ILE 436.A N GLU 432.A O no hydrogen 3.282 N/A MET 437.A N ALA 433.A O no hydrogen 2.779 N/A HIS 440.A N ASP 292.A OD1 no hydrogen 2.969 N/A ASN 442.A N VAL 439.A O no hydrogen 2.509 N/A THR 445.A N GLY 450.A O no hydrogen 3.034 N/A ARG 447.A NH2 HIS 383.A NE2 no hydrogen 2.688 N/A GLY 449.A N THR 445.A O no hydrogen 2.797 N/A ILE 452.A N ILE 443.A O no hydrogen 3.184 N/A ALA 455.A N ILE 560.A O no hydrogen 2.818 N/A SER 461.A N GLN 457.A O no hydrogen 2.964 N/A GLY 462.A N ASP 458.A O no hydrogen 2.951 N/A ALA 463.A N TYR 459.A O no hydrogen 2.782 N/A LEU 466.A N GLY 462.A O no hydrogen 3.130 N/A THR 467.A OG1 ALA 463.A O no hydrogen 3.309 N/A LYS 469.A NZ CYS 537.A O no hydrogen 2.947 N/A LYS 469.A NZ PRO 538.A O no hydrogen 3.073 N/A THR 471.A N VAL 468.A O no hydrogen 3.467 N/A THR 471.A OG1 LEU 465.A O no hydrogen 2.921 N/A THR 471.A OG1 VAL 468.A O no hydrogen 2.797 N/A LEU 473.A N TYR 503.A O no hydrogen 2.478 N/A ALA 478.A N THR 474.A O no hydrogen 2.894 N/A GLN 480.A N GLU 476.A O no hydrogen 3.367 N/A ILE 481.A N GLU 477.A O no hydrogen 3.027 N/A ALA 485.A N ASN 587.A OD1 no hydrogen 2.386 N/A ILE 496.A N TYR 502.A O no hydrogen 2.648 N/A TYR 502.A N ILE 496.A O no hydrogen 2.957 N/A TYR 503.A N LEU 473.A O no hydrogen 3.153 N/A LYS 506.A NZ VAL 468.A O no hydrogen 2.932 N/A VAL 508.A N THR 504.A O no hydrogen 3.230 N/A ILE 509.A N GLY 505.A O no hydrogen 3.310 N/A SER 510.A N GLN 507.A O no hydrogen 2.708 N/A SER 510.A OG GLY 548.A O no hydrogen 2.423 N/A ALA 511.A N VAL 508.A O no hydrogen 3.368 N/A PHE 512.A N ILE 509.A O no hydrogen 2.800 N/A LEU 513.A N SER 510.A O no hydrogen 3.390 N/A PHE 517.A N PRO 514.A O no hydrogen 3.054 N/A ASN 518.A ND2 ASN 547.A OD1 no hydrogen 3.010 N/A PHE 519.A N ILE 545.A O no hydrogen 2.851 N/A GLY 521.A N VAL 543.A O no hydrogen 3.345 N/A ASN 524.A N ASP 556.A OD2 no hydrogen 2.212 N/A VAL 525.A N ASP 556.A OD2 no hydrogen 3.073 N/A SER 526.A OG GLN 522.A OE1 no hydrogen 2.956 N/A SER 526.A OG ARG 530.A O no hydrogen 3.521 N/A SER 527.A OG VAL 525.A O no hydrogen 3.197 N/A ARG 530.A NH1 SER 527.A O no hydrogen 3.463 N/A CYS 532.A SG ARG 530.A O no hydrogen 3.472 N/A CYS 532.A SG HIS 539.A O no hydrogen 3.473 N/A LYS 533.A N GLN 522.A OE1 no hydrogen 2.930 N/A ASN 534.A N CYS 532.A O no hydrogen 2.537 N/A GLU 535.A N GLU 535.A OE2 no hydrogen 2.789 N/A CYS 537.A SG CYS 532.A O no hydrogen 3.169 N/A CYS 537.A SG ASN 534.A O no hydrogen 3.152 N/A CYS 537.A SG ASP 536.A O no hydrogen 2.889 N/A VAL 543.A N GLY 521.A O no hydrogen 2.495 N/A VAL 544.A N GLU 552.A O no hydrogen 2.626 N/A ILE 545.A N PHE 519.A O no hydrogen 2.938 N/A LYS 546.A N ILE 549.A O no hydrogen 3.005 N/A GLY 548.A N PHE 517.A O no hydrogen 2.839 N/A GLY 553.A N ASP 540.A OD1 no hydrogen 3.119 N/A PHE 555.A N THR 467.A OG1 no hydrogen 2.897 N/A LYS 557.A N THR 688.A O no hydrogen 3.480 N/A ALA 559.A N ASP 556.A O no hydrogen 2.761 N/A ILE 560.A N ASP 556.A O no hydrogen 2.622 N/A GLY 561.A N LYS 557.A O no hydrogen 2.896 N/A SER 567.A N GLN 564.A O no hydrogen 3.443 N/A LEU 569.A N ALA 559.A O no hydrogen 2.943 N/A TRP 571.A N SER 567.A O no hydrogen 2.962 N/A LEU 572.A N ILE 568.A O no hydrogen 3.172 N/A ILE 573.A N LEU 569.A O no hydrogen 3.319 N/A LYS 574.A N HIS 570.A O no hydrogen 2.850 N/A LYS 574.A NZ TYR 816.A O no hydrogen 2.914 N/A TYR 576.A OH ASP 516.A OD1 no hydrogen 2.667 N/A TYR 580.A N SER 577.A OG no hydrogen 3.171 N/A TYR 580.A OH PHE 512.A O no hydrogen 2.967 N/A GLY 581.A N SER 577.A O no hydrogen 2.836 N/A TRP 583.A N GLU 579.A O no hydrogen 2.891 N/A LEU 584.A N TYR 580.A O no hydrogen 2.780 N/A MET 585.A N GLY 581.A O no hydrogen 2.773 N/A ASP 586.A N LYS 582.A O no hydrogen 3.073 N/A ASN 587.A N LEU 584.A O no hydrogen 3.119 N/A ASN 587.A ND2 TRP 583.A O no hydrogen 3.433 N/A LEU 588.A N LEU 584.A O no hydrogen 2.550 N/A VAL 591.A N LEU 588.A O no hydrogen 2.978 N/A PHE 595.A N VAL 591.A O no hydrogen 3.065 N/A VAL 596.A N PHE 592.A O no hydrogen 2.808 N/A GLU 597.A N ILE 593.A O no hydrogen 2.832 N/A LEU 598.A N PHE 595.A O no hydrogen 3.057 N/A GLN 599.A N VAL 596.A O no hydrogen 2.854 N/A MET 603.A N THR 602.A OG1 no hydrogen 2.538 N/A ARG 604.A N ASP 607.A OD2 no hydrogen 3.125 N/A VAL 608.A N LEU 605.A O no hydrogen 2.718 N/A SER 609.A N LEU 605.A O no hydrogen 3.228 N/A SER 609.A OG GLU 606.A O no hydrogen 3.290 N/A LYS 615.A N GLY 611.A O no hydrogen 2.805 N/A GLU 617.A N ASP 613.A O no hydrogen 2.786 N/A ILE 618.A N LYS 615.A O no hydrogen 3.340 N/A TYR 619.A N LYS 615.A O no hydrogen 2.845 N/A GLU 621.A N ILE 618.A O no hydrogen 2.772 N/A ILE 622.A N ILE 618.A O no hydrogen 2.677 N/A LYS 626.A N ILE 622.A O no hydrogen 2.577 N/A LYS 626.A NZ GLU 734.A OE2 no hydrogen 3.453 N/A VAL 629.A N LYS 626.A O no hydrogen 2.855 N/A ASP 630.A N LYS 626.A O no hydrogen 2.889 N/A ASN 631.A N VAL 627.A O no hydrogen 3.417 N/A LEU 632.A N VAL 629.A O no hydrogen 2.521 N/A ILE 633.A N VAL 629.A O no hydrogen 3.095 N/A LYS 635.A N ASN 631.A O no hydrogen 3.087 N/A LYS 637.A N ILE 633.A O no hydrogen 2.861 N/A ASN 638.A N GLN 634.A O no hydrogen 3.208 N/A ASN 638.A ND2 GLN 634.A O no hydrogen 2.600 N/A GLU 640.A N LYS 635.A O no hydrogen 2.859 N/A LEU 641.A N LYS 635.A O no hydrogen 3.235 N/A ARG 647.A N ILE 644.A O no hydrogen 2.784 N/A THR 648.A N GLU 651.A OE1 no hydrogen 3.166 N/A THR 648.A OG1 GLU 651.A OE2 no hydrogen 3.161 N/A SER 652.A N THR 648.A O no hydrogen 2.544 N/A SER 652.A OG THR 648.A O no hydrogen 2.298 N/A SER 652.A OG LEU 649.A O no hydrogen 2.696 N/A LEU 653.A N LEU 649.A O no hydrogen 2.614 N/A ASN 655.A N GLU 651.A O no hydrogen 2.829 N/A TYR 656.A N SER 652.A O no hydrogen 2.902 N/A TYR 656.A OH GLU 642.A O no hydrogen 2.874 N/A ILE 657.A N LEU 653.A O no hydrogen 3.239 N/A LEU 658.A N GLU 654.A O no hydrogen 2.678 N/A ASP 659.A N ASN 655.A O no hydrogen 2.845 N/A THR 660.A N TYR 656.A O no hydrogen 2.926 N/A THR 660.A OG1 TYR 656.A O no hydrogen 2.530 N/A LEU 661.A N ILE 657.A O no hydrogen 3.032 N/A ASP 662.A N LEU 658.A O no hydrogen 2.790 N/A LYS 663.A N ASP 659.A O no hydrogen 3.108 N/A LYS 663.A NZ ASP 659.A OD2 no hydrogen 2.838 N/A LEU 664.A N THR 660.A O no hydrogen 3.016 N/A SER 666.A OG ASP 662.A O no hydrogen 3.300 N/A SER 666.A OG LYS 663.A O no hydrogen 2.828 N/A THR 667.A N LYS 663.A O no hydrogen 2.787 N/A THR 667.A OG1 LYS 663.A O no hydrogen 2.772 N/A GLY 669.A N ARG 665.A O no hydrogen 3.200 N/A ASP 670.A N SER 666.A O no hydrogen 2.960 N/A ILE 671.A N THR 667.A O no hydrogen 3.311 N/A ALA 672.A N ALA 668.A O no hydrogen 3.073 N/A SER 673.A N GLY 669.A O no hydrogen 2.658 N/A SER 673.A OG GLY 669.A O no hydrogen 2.439 N/A LYS 674.A N ILE 671.A O no hydrogen 3.250 N/A LYS 674.A NZ ASP 670.A O no hydrogen 3.239 N/A TYR 675.A N ALA 672.A O no hydrogen 3.387 N/A LEU 676.A N ALA 672.A O no hydrogen 3.067 N/A PHE 679.A N ASP 677.A O no hydrogen 2.326 N/A ASN 680.A N ASP 677.A O no hydrogen 2.822 N/A TYR 683.A N ASN 680.A O no hydrogen 2.597 N/A VAL 684.A N ASN 680.A O no hydrogen 2.739 N/A MET 685.A N PHE 681.A O no hydrogen 2.778 N/A THR 688.A N VAL 684.A O no hydrogen 3.300 N/A ARG 691.A N MET 685.A O no hydrogen 3.375 N/A ASN 696.A N SER 693.A O no hydrogen 2.698 N/A ILE 697.A N SER 693.A O no hydrogen 2.729 N/A THR 698.A N VAL 694.A O no hydrogen 2.830 N/A THR 698.A OG1 VAL 694.A O no hydrogen 3.078 N/A MET 700.A N ASN 696.A O no hydrogen 3.212 N/A ALA 701.A N ILE 697.A O no hydrogen 2.696 N/A ALA 702.A N THR 698.A O no hydrogen 2.821 N/A LEU 704.A N SER 741.A O no hydrogen 3.102 N/A SER 708.A OG GLU 712.A O no hydrogen 3.285 N/A GLU 712.A N VAL 709.A O no hydrogen 2.583 N/A ARG 713.A N GLU 712.A OE1 no hydrogen 2.721 N/A ARG 713.A NE GLN 706.A OE1 no hydrogen 3.477 N/A ARG 713.A NH1 GLU 654.A OE1 no hydrogen 3.242 N/A ARG 713.A NH1 GLU 654.A OE2 no hydrogen 2.573 N/A ARG 713.A NH1 ILE 731.A O no hydrogen 3.312 N/A ARG 713.A NH2 ILE 731.A O no hydrogen 3.532 N/A ARG 713.A NH2 SER 732.A O no hydrogen 2.786 N/A ILE 714.A N ARG 736.A O no hydrogen 2.924 N/A ARG 721.A NH2 PRO 724.A O no hydrogen 3.253 N/A THR 722.A OG1 ILE 714.A O no hydrogen 2.977 N/A THR 722.A OG1 LYS 715.A O no hydrogen 2.817 N/A LEU 723.A N ARG 721.A O no hydrogen 2.671 N/A PHE 726.A N LEU 723.A O no hydrogen 3.101 N/A TYR 729.A N THR 720.A O no hydrogen 3.388 N/A SER 732.A N ASP 730.A OD1 no hydrogen 3.098 N/A ARG 736.A NH1 ASP 730.A O no hydrogen 3.520 N/A TYR 740.A N GLU 751.A OE2 no hydrogen 3.459 N/A SER 741.A OG GLU 751.A OE1 no hydrogen 2.776 N/A SER 742.A OG MET 700.A O no hydrogen 3.053 N/A SER 742.A OG ALA 701.A O no hydrogen 3.256 N/A SER 742.A OG THR 745.A OG1 no hydrogen 3.264 N/A PHE 743.A N GLN 699.A O no hydrogen 3.411 N/A ARG 744.A N MET 700.A O no hydrogen 3.347 N/A ARG 744.A N SER 742.A OG no hydrogen 3.030 N/A THR 745.A N SER 742.A OG no hydrogen 2.953 N/A THR 745.A OG1 SER 742.A OG no hydrogen 3.264 N/A GLY 746.A N SER 742.A O no hydrogen 2.920 N/A LYS 748.A N GLU 751.A OE1 no hydrogen 3.121 N/A LEU 752.A N LYS 748.A O no hydrogen 2.704 N/A PHE 753.A N THR 750.A O no hydrogen 2.955 N/A PHE 754.A N THR 750.A O no hydrogen 3.049 N/A HIS 755.A N GLU 751.A O no hydrogen 2.776 N/A ALA 756.A N LEU 752.A O no hydrogen 2.945 N/A ALA 757.A N PHE 753.A O no hydrogen 3.093 N/A GLY 759.A N HIS 755.A O no hydrogen 3.197 N/A VAL 764.A N GLU 761.A O no hydrogen 3.100 N/A ASP 765.A N GLU 761.A O no hydrogen 3.132 N/A THR 766.A OG1 GLY 762.A O no hydrogen 2.912 N/A ALA 767.A N VAL 764.A O no hydrogen 3.260 N/A VAL 768.A N VAL 764.A O no hydrogen 3.356 N/A SER 771.A OG VAL 768.A O no hydrogen 2.572 N/A GLN 772.A N ARG 769.A O no hydrogen 3.247 N/A SER 773.A N ARG 769.A O no hydrogen 3.449 N/A GLY 774.A N THR 770.A O no hydrogen 2.845 N/A TYR 775.A N GLN 772.A O no hydrogen 3.194 N/A MET 776.A N GLN 772.A O no hydrogen 2.978 N/A GLN 777.A N SER 773.A O no hydrogen 3.235 N/A GLN 777.A NE2 LEU 382.A O no hydrogen 3.474 N/A ARG 779.A NE TYR 775.A O no hydrogen 2.974 N/A LEU 780.A N MET 776.A O no hydrogen 3.051 N/A ILE 781.A N GLN 777.A O no hydrogen 2.636 N/A ASN 782.A N ARG 778.A O no hydrogen 3.347 N/A ASN 782.A ND2 ARG 778.A O no hydrogen 2.701 N/A LEU 784.A N LEU 780.A O no hydrogen 2.830 N/A SER 785.A OG ASP 786.A OD1 no hydrogen 3.341 N/A LEU 787.A N SER 785.A O no hydrogen 2.224 N/A ARG 788.A N ARG 796.A O no hydrogen 3.084 N/A GLU 790.A N THR 794.A O no hydrogen 3.038 N/A GLY 793.A N GLU 790.A O no hydrogen 3.010 N/A THR 794.A OG1 ASP 792.A OD1 no hydrogen 2.704 N/A THR 794.A OG1 ASP 792.A OD2 no hydrogen 3.118 N/A THR 794.A OG1 VAL 805.A O no hydrogen 3.450 N/A VAL 795.A N GLN 804.A O no hydrogen 3.122 N/A ARG 796.A N ARG 788.A O no hydrogen 3.232 N/A ARG 796.A NH2 ASP 792.A OD1 no hydrogen 3.474 N/A SER 797.A OG GLU 801.A O no hydrogen 3.560 N/A VAL 803.A N VAL 795.A O no hydrogen 2.950 N/A TYR 807.A N GLY 793.A O no hydrogen 3.223 N/A GLY 808.A N GLN 804.A OE1 no hydrogen 2.867 N/A TYR 816.A N PHE 813.A O no hydrogen 3.137 N/A SER 817.A N PRO 814.A O no hydrogen 3.399 N/A SER 817.A OG PRO 814.A O no hydrogen 3.017 N/A HIS 819.A NE2 PRO 565.A O no hydrogen 2.854 N/A THR 822.A N GLY 820.A O no hydrogen 2.690 N/A THR 822.A OG1 LYS 821.A O no hydrogen 2.488 N/A ASP 824.A N THR 822.A O no hydrogen 2.763 N/A ARG 827.A N VAL 823.A O no hydrogen 3.201 N/A PHE 829.A N VAL 825.A O no hydrogen 3.367 N/A GLU 830.A N ASN 826.A O no hydrogen 3.341 N/A VAL 832.A N ILE 828.A O no hydrogen 2.770 N/A TRP 835.A N VAL 832.A O no hydrogen 3.070 N/A