Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w9b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N LEU 14.A O no hydrogen 2.836 N/A GLU 3.A N PRO 77.A O no hydrogen 3.176 N/A CYS 4.A N VAL 12.A O no hydrogen 2.923 N/A VAL 12.A N CYS 4.A O no hydrogen 3.369 N/A LEU 14.A N VAL 2.A O no hydrogen 2.947 N/A CYS 16.A SG LEU 14.A O no hydrogen 3.437 N/A ALA 20.A N LEU 17.A O no hydrogen 3.247 N/A LEU 22.A N GLU 65.A O no hydrogen 3.051 N/A LEU 22.A N ARG 67.A O no hydrogen 3.069 N/A ILE 25.A N THR 21.A O no hydrogen 3.252 N/A LYS 26.A N LEU 22.A O no hydrogen 2.992 N/A LYS 26.A N ILE 23.A O no hydrogen 2.894 N/A HIS 27.A N ILE 23.A O no hydrogen 2.646 N/A LEU 29.A N LYS 26.A O no hydrogen 2.857 N/A PHE 30.A N LYS 26.A O no hydrogen 3.456 N/A LYS 31.A NZ HIS 27.A O no hydrogen 3.549 N/A LYS 31.A NZ GLU 45.A OE2 no hydrogen 2.322 N/A GLU 32.A N LEU 29.A O no hydrogen 3.033 N/A LYS 35.A NZ GLU 32.A OE1 no hydrogen 3.236 N/A LYS 35.A NZ GLU 32.A OE2 no hydrogen 3.007 N/A GLN 40.A N GLN 40.A OE1 no hydrogen 2.648 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.748 N/A SER 47.A OG SER 46.A O no hydrogen 2.309 N/A ILE 49.A N ILE 82.A O no hydrogen 2.990 N/A SER 52.A N GLU 60.A O no hydrogen 3.100 N/A SER 52.A OG VAL 53.A O no hydrogen 3.336 N/A GLN 55.A N ARG 73.A O no hydrogen 2.953 N/A GLU 56.A N THR 54.A OG1 no hydrogen 3.406 N/A ALA 57.A N THR 54.A O no hydrogen 3.013 N/A GLU 60.A N SER 52.A O no hydrogen 3.194 N/A PHE 62.A N PHE 50.A O no hydrogen 3.380 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.699 N/A ARG 67.A N ASP 64.A O no hydrogen 3.428 N/A ARG 67.A NH2 ASP 71.A O no hydrogen 2.632 N/A CYS 70.A SG ARG 18.A O no hydrogen 3.099 N/A LEU 72.A N LEU 69.A O no hydrogen 3.167 N/A PHE 75.A N VAL 53.A O no hydrogen 3.245 N/A PHE 78.A N GLN 76.A O no hydrogen 2.867 N/A VAL 81.A N LEU 5.A O no hydrogen 3.071 N/A ILE 82.A N ILE 49.A O no hydrogen 3.422 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.654 N/A ILE 92.A N GLU 89.A O no hydrogen 2.797 N/A LEU 93.A N GLU 89.A O no hydrogen 2.778 N/A ASN 94.A N GLU 90.A O no hydrogen 2.997 N/A ARG 95.A N ILE 92.A O no hydrogen 3.297 N/A GLU 96.A N ILE 92.A O no hydrogen 3.313 N/A ILE 97.A N LEU 93.A O no hydrogen 3.028 N/A PHE 99.A N ARG 95.A O no hydrogen 3.267 N/A PHE 99.A N GLU 96.A O no hydrogen 2.914 N/A ALA 100.A N GLU 96.A O no hydrogen 3.077 N/A ILE 101.A N ILE 97.A O no hydrogen 3.269 N/A GLU 107.A N PRO 104.A O no hydrogen 3.386 N/A PHE 108.A N VAL 105.A O no hydrogen 3.271 N/A ASP 109.A N CYS 106.A O no hydrogen 3.183 N/A GLU 115.A N ASP 113.A OD1 no hydrogen 3.245 N/A GLN 117.A NE2 PHE 108.A O no hydrogen 3.176 N/A GLN 117.A NE2 VAL 111.A O no hydrogen 3.000 N/A ARG 120.A NH1 ASP 109.A OD1 no hydrogen 2.878 N/A ARG 120.A NH2 ASP 109.A OD1 no hydrogen 3.564 N/A ARG 120.A NH2 GLU 619.A OE2 no hydrogen 3.157 N/A ASN 122.A N ASP 118.A O no hydrogen 3.241 N/A ASN 122.A ND2 ASP 118.A O no hydrogen 3.143 N/A ILE 123.A N PHE 119.A O no hydrogen 2.805 N/A VAL 126.A N ILE 123.A O no hydrogen 2.853 N/A CYS 127.A N ILE 123.A O no hydrogen 3.309 N/A CYS 127.A SG ILE 123.A O no hydrogen 3.932 N/A CYS 127.A SG SER 620.A O no hydrogen 3.084 N/A LYS 128.A NZ ASP 132.A OD2 no hydrogen 3.268 N/A GLU 129.A N ASN 125.A O no hydrogen 3.132 N/A ASP 132.A N LYS 128.A O no hydrogen 3.091 N/A LEU 133.A N ALA 130.A O no hydrogen 2.667 N/A ARG 134.A N ALA 130.A O no hydrogen 2.826 N/A ARG 134.A NH1 CYS 625.A O no hydrogen 2.263 N/A ARG 134.A NH2 LEU 588.A O no hydrogen 3.261 N/A ASN 137.A N SER 141.A OG no hydrogen 3.185 N/A SER 138.A OG ASP 135.A OD1 no hydrogen 2.198 N/A SER 141.A N ASN 137.A O no hydrogen 2.604 N/A SER 141.A OG ASN 137.A O no hydrogen 2.681 N/A ARG 142.A NH1 LEU 259.A O no hydrogen 3.372 N/A ARG 142.A NH2 LEU 259.A O no hydrogen 2.795 N/A ALA 143.A N PRO 139.A O no hydrogen 2.985 N/A ALA 143.A N HIS 140.A O no hydrogen 2.882 N/A MET 144.A N HIS 140.A O no hydrogen 3.246 N/A TYR 145.A OH CYS 625.A O no hydrogen 3.194 N/A VAL 146.A N ALA 143.A O no hydrogen 3.214 N/A TYR 147.A N ALA 143.A O no hydrogen 3.131 N/A GLU 152.A N GLN 231.A O no hydrogen 3.000 N/A SER 153.A N ASP 556.A OD2 no hydrogen 3.434 N/A HIS 160.A NE2 GLN 755.A O no hydrogen 3.084 N/A TYR 162.A N PRO 158.A O no hydrogen 3.425 N/A LYS 164.A N ILE 161.A O no hydrogen 3.268 N/A LYS 164.A NZ MET 240.A O no hydrogen 2.367 N/A LEU 165.A N TYR 162.A O no hydrogen 3.430 N/A GLY 168.A N LEU 165.A O no hydrogen 3.338 N/A ILE 170.A N ILE 191.A O no hydrogen 2.392 N/A VAL 172.A N LEU 189.A O no hydrogen 3.423 N/A VAL 173.A N PRO 245.A O no hydrogen 3.086 N/A TRP 175.A N LEU 247.A O no hydrogen 3.131 N/A VAL 176.A N GLN 185.A O no hydrogen 3.255 N/A SER 179.A N ASP 183.A O no hydrogen 3.390 N/A SER 179.A OG ASP 183.A O no hydrogen 3.021 N/A SER 179.A OG GLN 185.A OE1 no hydrogen 3.156 N/A ASN 181.A ND2 ASN 182.A OD1 no hydrogen 3.561 N/A LYS 184.A N ASP 183.A OD1 no hydrogen 2.549 N/A GLN 185.A N VAL 176.A O no hydrogen 3.046 N/A GLN 185.A NE2 SER 179.A OG no hydrogen 3.314 N/A TYR 187.A N ILE 174.A O no hydrogen 3.294 N/A THR 188.A OG1 TYR 187.A O no hydrogen 2.755 N/A LEU 189.A N VAL 172.A O no hydrogen 3.201 N/A ILE 191.A N ILE 170.A O no hydrogen 3.055 N/A ASN 192.A ND2 GLY 168.A O no hydrogen 2.978 N/A CYS 195.A SG ASN 192.A O no hydrogen 3.623 N/A GLN 199.A N VAL 196.A O no hydrogen 2.886 N/A VAL 200.A N VAL 196.A O no hydrogen 3.468 N/A LYS 207.A N GLU 203.A O no hydrogen 3.326 N/A LYS 207.A NZ THR 188.A O no hydrogen 3.150 N/A THR 209.A N ILE 205.A O no hydrogen 2.866 N/A THR 209.A OG1 LYS 208.A O no hydrogen 2.287 N/A ILE 213.A N MET 250.A O no hydrogen 2.708 N/A LYS 215.A NZ VAL 216.A O no hydrogen 3.451 N/A LYS 215.A NZ ASP 717.A OD2 no hydrogen 3.549 N/A VAL 216.A N GLU 221.A O no hydrogen 2.811 N/A CYS 217.A N ASN 246.A O no hydrogen 3.391 N/A CYS 217.A SG ASN 246.A O no hydrogen 3.622 N/A CYS 217.A SG LEU 247.A O no hydrogen 3.105 N/A TYR 227.A N GLU 225.A O no hydrogen 2.911 N/A LEU 229.A N CYS 195.A O no hydrogen 2.632 N/A SER 230.A N HIS 193.A O no hydrogen 3.060 N/A SER 230.A OG HIS 193.A O no hydrogen 2.704 N/A GLN 231.A N PRO 228.A O no hydrogen 2.785 N/A GLN 231.A NE2 GLU 152.A O no hydrogen 2.398 N/A TYR 232.A OH GLU 225.A O no hydrogen 2.831 N/A LYS 233.A N ASN 150.A O no hydrogen 3.104 N/A ARG 236.A N TYR 232.A O no hydrogen 2.813 N/A ARG 236.A NE SER 230.A O no hydrogen 2.452 N/A ARG 236.A NH2 SER 154.A O no hydrogen 3.350 N/A SER 237.A N TYR 234.A O no hydrogen 3.337 N/A SER 237.A OG LYS 233.A O no hydrogen 2.834 N/A SER 237.A OG TYR 234.A O no hydrogen 3.191 N/A CYS 238.A N TYR 234.A O no hydrogen 3.161 N/A CYS 238.A N ILE 235.A O no hydrogen 3.210 N/A CYS 238.A SG TYR 234.A O no hydrogen 3.238 N/A ILE 239.A N ILE 235.A O no hydrogen 3.362 N/A ARG 243.A N CYS 238.A O no hydrogen 3.195 N/A LEU 247.A N VAL 173.A O no hydrogen 2.887 N/A MET 248.A N LYS 215.A O no hydrogen 3.121 N/A LEU 249.A N TRP 175.A O no hydrogen 2.939 N/A MET 250.A N ILE 213.A O no hydrogen 2.902 N/A LEU 255.A N LYS 252.A O no hydrogen 2.616 N/A TYR 256.A N LYS 252.A O no hydrogen 2.997 N/A SER 257.A OG GLU 253.A O no hydrogen 3.113 N/A SER 257.A OG GLN 258.A OE1 no hydrogen 2.946 N/A GLN 258.A N LEU 255.A O no hydrogen 3.105 N/A GLN 258.A NE2 SER 254.A O no hydrogen 2.257 N/A LEU 259.A N TYR 256.A O no hydrogen 3.344 N/A SER 270.A N PRO 267.A O no hydrogen 3.231 N/A ARG 272.A NH2 ASP 109.A OD1 no hydrogen 3.551 N/A ILE 273.A N ARG 271.A O no hydrogen 2.773 N/A LYS 277.A N VAL 435.A O no hydrogen 3.037 N/A LYS 277.A NZ PHE 432.A O no hydrogen 2.343 N/A SER 284.A OG ASN 283.A O no hydrogen 2.380 N/A ILE 288.A N LEU 339.A O no hydrogen 2.843 N/A LYS 289.A N GLU 428.A O no hydrogen 3.282 N/A ILE 290.A N GLU 337.A O no hydrogen 3.336 N/A LEU 291.A N GLU 426.A O no hydrogen 3.339 N/A CYS 292.A SG GLU 426.A OE1 no hydrogen 3.220 N/A ALA 293.A N PRO 333.A O no hydrogen 3.227 N/A THR 294.A N CYS 424.A O no hydrogen 3.118 N/A ASN 299.A ND2 ASP 302.A OD2 no hydrogen 2.811 N/A ILE 300.A N ASN 299.A OD1 no hydrogen 2.492 N/A LYS 305.A NZ ARG 327.A O no hydrogen 3.431 N/A ILE 306.A N VAL 328.A O no hydrogen 3.366 N/A TYR 307.A N CYS 359.A O no hydrogen 3.416 N/A TYR 307.A OH HIS 371.A ND1 no hydrogen 2.826 N/A VAL 308.A N THR 325.A OG1 no hydrogen 3.136 N/A THR 310.A N VAL 323.A O no hydrogen 3.001 N/A THR 310.A OG1 VAL 323.A O no hydrogen 3.419 N/A THR 310.A OG1 TYR 341.A OH no hydrogen 2.322 N/A HIS 314.A N GLU 317.A O no hydrogen 2.991 N/A LEU 319.A N ILE 312.A O no hydrogen 2.728 N/A CYS 320.A SG ASP 321.A O no hydrogen 3.548 N/A VAL 323.A N THR 310.A O no hydrogen 3.375 N/A THR 325.A OG1 GLN 326.A O no hydrogen 3.493 N/A GLN 326.A N GLU 337.A OE1 no hydrogen 3.271 N/A CYS 330.A SG VAL 298.A O no hydrogen 4.035 N/A ARG 334.A N ASN 332.A O no hydrogen 2.873 N/A TRP 335.A N LEU 291.A O no hydrogen 2.997 N/A TRP 335.A NE1 GLN 326.A O no hydrogen 3.120 N/A ASN 336.A N LEU 291.A O no hydrogen 3.245 N/A GLU 337.A N ILE 290.A O no hydrogen 3.283 N/A LEU 339.A N ILE 288.A O no hydrogen 2.830 N/A TYR 341.A N LEU 286.A O no hydrogen 2.723 N/A TYR 341.A OH THR 310.A OG1 no hydrogen 2.322 N/A ILE 345.A N SER 284.A O no hydrogen 3.253 N/A ASP 347.A N TYR 344.A O no hydrogen 2.792 N/A LEU 348.A N ILE 345.A O no hydrogen 3.189 N/A ARG 350.A NH1 ARG 350.A O no hydrogen 2.870 N/A ARG 350.A NH1 TYR 574.A OH no hydrogen 2.369 N/A ARG 350.A NH2 ASP 386.A OD1 no hydrogen 2.540 N/A ARG 350.A NH2 TYR 574.A OH no hydrogen 2.762 N/A ALA 352.A N PRO 349.A O no hydrogen 2.931 N/A ARG 353.A N TYR 313.A O no hydrogen 3.021 N/A ARG 353.A NH2 PRO 410.A O no hydrogen 2.204 N/A LEU 354.A N ILE 379.A O no hydrogen 2.957 N/A CYS 355.A N GLY 311.A O no hydrogen 2.943 N/A CYS 355.A SG ASN 378.A OD1 no hydrogen 3.134 N/A LEU 356.A N GLY 377.A O no hydrogen 3.403 N/A SER 357.A OG ALA 375.A O no hydrogen 2.598 N/A SER 357.A OG LEU 407.A O no hydrogen 3.283 N/A CYS 359.A N TYR 307.A O no hydrogen 3.017 N/A SER 360.A N CYS 372.A O no hydrogen 2.949 N/A SER 360.A OG CYS 372.A O no hydrogen 3.219 N/A VAL 361.A N LYS 305.A O no hydrogen 3.302 N/A LYS 368.A N LYS 365.A O no hydrogen 2.796 N/A GLU 369.A N ALA 367.A O no hydrogen 3.108 N/A CYS 372.A N SER 360.A O no hydrogen 3.236 N/A CYS 372.A SG PRO 373.A O no hydrogen 3.833 N/A LEU 374.A N ILE 358.A O no hydrogen 2.561 N/A TRP 376.A NE1 PRO 399.A O no hydrogen 2.497 N/A ASN 378.A ND2 ASN 409.A O no hydrogen 3.201 N/A ILE 379.A N LEU 354.A O no hydrogen 3.232 N/A LEU 381.A N ALA 352.A O no hydrogen 3.490 N/A TYR 384.A N ASP 383.A OD1 no hydrogen 2.517 N/A ASP 386.A N ASP 383.A O no hydrogen 2.822 N/A LEU 388.A N VAL 436.A O no hydrogen 2.906 N/A VAL 389.A N LEU 381.A O no hydrogen 3.141 N/A SER 390.A OG SER 390.A O no hydrogen 2.570 N/A ASN 396.A ND2 THR 422.A O no hydrogen 3.550 N/A LEU 397.A N PRO 423.A O no hydrogen 3.163 N/A TRP 398.A N TRP 376.A O no hydrogen 2.927 N/A LEU 404.A N PRO 401.A O no hydrogen 2.910 N/A LEU 408.A N ASP 406.A OD1 no hydrogen 3.391 N/A GLY 412.A N ASN 409.A O no hydrogen 3.304 N/A ASN 419.A N ASN 417.A OD1 no hydrogen 3.350 N/A LYS 420.A NZ ASN 396.A OD1 no hydrogen 2.961 N/A GLU 421.A N ASN 419.A OD1 no hydrogen 3.141 N/A THR 422.A OG1 ASN 419.A O no hydrogen 3.490 N/A CYS 424.A SG LEU 395.A O no hydrogen 3.976 N/A GLU 426.A N CYS 292.A O no hydrogen 3.212 N/A LEU 427.A N MET 393.A O no hydrogen 2.834 N/A PHE 429.A N GLY 391.A O no hydrogen 2.554 N/A SER 433.A OG PHE 432.A O no hydrogen 2.320 N/A LYS 437.A N LYS 277.A O no hydrogen 2.911 N/A VAL 443.A N ASP 440.A O no hydrogen 3.207 N/A VAL 443.A N ASP 440.A OD1 no hydrogen 3.164 N/A SER 451.A OG HIS 447.A O no hydrogen 3.203 N/A GLU 459.A N GLU 459.A OE1 no hydrogen 2.776 N/A LYS 462.A N LYS 458.A O no hydrogen 3.507 N/A ALA 463.A N GLU 459.A O no hydrogen 2.981 N/A ILE 464.A N GLN 460.A O no hydrogen 3.204 N/A ILE 464.A N LEU 461.A O no hydrogen 3.064 N/A SER 465.A N LEU 461.A O no hydrogen 2.849 N/A SER 465.A OG LEU 461.A O no hydrogen 3.459 N/A SER 465.A OG LYS 462.A O no hydrogen 3.238 N/A THR 466.A N LYS 462.A O no hydrogen 3.398 N/A THR 466.A OG1 LYS 462.A O no hydrogen 2.937 N/A ARG 467.A N ILE 464.A O no hydrogen 3.161 N/A ARG 467.A NE ALA 463.A O no hydrogen 2.941 N/A ARG 467.A NH1 GLU 477.A OE1 no hydrogen 3.160 N/A ARG 467.A NH1 GLU 477.A OE2 no hydrogen 3.186 N/A ARG 467.A NH2 GLU 477.A OE2 no hydrogen 3.462 N/A LEU 470.A N ASP 468.A OD1 no hydrogen 3.279 N/A SER 471.A N ASP 468.A O no hydrogen 3.163 N/A SER 471.A OG ASP 468.A O no hydrogen 2.661 N/A THR 474.A OG1 GLN 476.A OE1 no hydrogen 3.542 N/A GLU 477.A N THR 474.A O no hydrogen 3.110 N/A LYS 478.A N THR 474.A O no hydrogen 3.190 N/A PHE 480.A N GLN 476.A O no hydrogen 3.237 N/A LEU 481.A N GLU 477.A O no hydrogen 2.797 N/A TRP 482.A N LYS 478.A O no hydrogen 3.218 N/A SER 483.A N ASP 479.A O no hydrogen 3.220 N/A SER 483.A OG ASP 479.A O no hydrogen 2.866 N/A SER 483.A OG PHE 480.A O no hydrogen 2.822 N/A SER 483.A OG HIS 484.A ND1 no hydrogen 3.157 N/A HIS 484.A N PHE 480.A O no hydrogen 3.289 N/A HIS 484.A ND1 PHE 480.A O no hydrogen 2.836 N/A ARG 485.A NH1 TRP 482.A O no hydrogen 2.972 N/A TYR 487.A N HIS 484.A O no hydrogen 3.263 N/A CYS 488.A SG HIS 484.A O no hydrogen 3.524 N/A THR 490.A N TYR 487.A O no hydrogen 3.307 N/A ILE 491.A N CYS 488.A O no hydrogen 3.381 N/A GLU 493.A N GLU 493.A OE1 no hydrogen 2.722 N/A ILE 494.A N ILE 491.A O no hydrogen 3.099 N/A LYS 497.A N ILE 494.A O no hydrogen 2.753 N/A LYS 497.A NZ ASP 468.A O no hydrogen 3.017 N/A LEU 498.A N ILE 494.A O no hydrogen 3.047 N/A LEU 500.A N LYS 497.A O no hydrogen 3.315 N/A SER 501.A OG LEU 498.A O no hydrogen 3.014 N/A ASN 505.A ND2 LEU 319.A O no hydrogen 3.113 N/A SER 506.A OG LYS 503.A O no hydrogen 3.444 N/A ARG 507.A N ASP 347.A OD1 no hydrogen 3.215 N/A VAL 510.A N SER 506.A O no hydrogen 3.476 N/A GLN 512.A N GLU 509.A O no hydrogen 3.249 N/A GLN 512.A NE2 SER 451.A OG no hydrogen 3.101 N/A MET 513.A N GLU 509.A O no hydrogen 3.246 N/A MET 513.A N VAL 510.A O no hydrogen 3.215 N/A TYR 514.A N VAL 510.A O no hydrogen 3.309 N/A TYR 514.A OH ASP 538.A OD1 no hydrogen 2.626 N/A TYR 514.A OH ASP 538.A OD2 no hydrogen 3.258 N/A LEU 516.A N MET 513.A O no hydrogen 2.764 N/A VAL 517.A N MET 513.A O no hydrogen 2.846 N/A TRP 520.A NE1 PRO 492.A O no hydrogen 3.255 N/A GLN 527.A N LYS 524.A O no hydrogen 2.796 N/A ALA 528.A N LYS 524.A O no hydrogen 3.053 N/A GLU 530.A N GLN 527.A O no hydrogen 3.297 N/A TYR 536.A OH PRO 496.A O no hydrogen 2.874 N/A MET 540.A N ASP 538.A OD2 no hydrogen 2.958 N/A ARG 542.A N ASP 538.A O no hydrogen 3.359 N/A ARG 542.A NE GLU 572.A OE2 no hydrogen 2.889 N/A ARG 542.A NH1 LEU 532.A O no hydrogen 3.322 N/A ARG 542.A NH1 ASP 533.A O no hydrogen 3.384 N/A ARG 542.A NH2 LEU 532.A O no hydrogen 3.423 N/A ARG 542.A NH2 GLU 572.A OE2 no hydrogen 2.463 N/A PHE 544.A N VAL 541.A O no hydrogen 2.812 N/A ALA 545.A N VAL 541.A O no hydrogen 3.051 N/A CYS 548.A SG PHE 544.A O no hydrogen 3.472 N/A GLU 550.A N VAL 546.A O no hydrogen 3.299 N/A LEU 553.A N LEU 549.A O no hydrogen 3.147 N/A LYS 557.A NZ TYR 552.A O no hydrogen 3.345 N/A LEU 558.A N THR 554.A O no hydrogen 2.879 N/A SER 559.A N ASP 555.A O no hydrogen 3.289 N/A SER 559.A OG ASP 555.A O no hydrogen 2.754 N/A GLN 560.A N LYS 557.A O no hydrogen 2.811 N/A TYR 561.A N LYS 557.A O no hydrogen 2.726 N/A TYR 561.A OH GLU 526.A OE1 no hydrogen 3.307 N/A GLN 564.A NE2 GLN 745.A OE1 no hydrogen 3.489 N/A GLN 567.A N GLN 564.A O no hydrogen 3.324 N/A LYS 570.A NZ GLU 604.A OE1 no hydrogen 3.102 N/A LYS 570.A NZ GLU 604.A OE2 no hydrogen 2.683 N/A LYS 570.A NZ SER 924.A O no hydrogen 3.221 N/A GLU 572.A N LEU 569.A O no hydrogen 3.445 N/A VAL 580.A N ASN 577.A OD1 no hydrogen 3.226 N/A ARG 581.A NH1 ASN 125.A OD1 no hydrogen 3.526 N/A ARG 581.A NH2 ASP 576.A OD2 no hydrogen 3.205 N/A LEU 583.A N LEU 579.A O no hydrogen 3.255 N/A LEU 588.A N LEU 584.A O no hydrogen 3.287 N/A THR 589.A N LYS 586.A O no hydrogen 3.209 N/A THR 589.A OG1 LYS 585.A O no hydrogen 3.284 N/A THR 589.A OG1 LYS 586.A O no hydrogen 3.308 N/A GLN 591.A N TYR 145.A O no hydrogen 3.282 N/A ARG 592.A N ASN 590.A OD1 no hydrogen 2.999 N/A ARG 592.A NH2 PRO 148.A O no hydrogen 3.237 N/A GLY 594.A N ASN 590.A O no hydrogen 2.963 N/A HIS 595.A N GLN 591.A O no hydrogen 3.174 N/A HIS 595.A ND1 TYR 628.A OH no hydrogen 2.769 N/A HIS 595.A NE2 PRO 684.A O no hydrogen 2.896 N/A PHE 597.A N ILE 593.A O no hydrogen 2.716 N/A PHE 598.A N GLY 594.A O no hydrogen 3.100 N/A TRP 599.A N HIS 595.A O no hydrogen 3.373 N/A TRP 599.A NE1 GLN 635.A OE1 no hydrogen 3.241 N/A HIS 600.A N PHE 596.A O no hydrogen 3.039 N/A LEU 601.A N PHE 597.A O no hydrogen 3.276 N/A LYS 602.A N PHE 598.A O no hydrogen 2.768 N/A LYS 602.A NZ ALA 100.A O no hydrogen 2.650 N/A SER 603.A N TRP 599.A O no hydrogen 3.107 N/A SER 603.A OG HIS 600.A O no hydrogen 2.648 N/A GLU 604.A N LEU 601.A O no hydrogen 3.030 N/A ASN 607.A ND2 GLU 604.A OE2 no hydrogen 3.550 N/A VAL 610.A N ASN 607.A O no hydrogen 3.325 N/A SER 611.A OG MET 605.A O no hydrogen 3.024 N/A SER 611.A OG SER 611.A O no hydrogen 2.487 N/A ARG 613.A NH1 GLU 572.A O no hydrogen 3.367 N/A PHE 614.A N VAL 610.A O no hydrogen 3.346 N/A LEU 616.A N GLN 612.A O no hydrogen 3.319 N/A LEU 617.A N PHE 614.A O no hydrogen 2.722 N/A LEU 618.A N PHE 614.A O no hydrogen 2.614 N/A GLU 619.A N GLY 615.A O no hydrogen 3.202 N/A SER 620.A OG LEU 616.A O no hydrogen 3.165 N/A TYR 621.A N LEU 617.A O no hydrogen 3.205 N/A CYS 622.A N LEU 618.A O no hydrogen 2.832 N/A CYS 622.A SG LEU 618.A O no hydrogen 3.625 N/A ARG 623.A NH1 ASN 94.A OD1 no hydrogen 3.421 N/A ARG 623.A NH2 ASN 94.A OD1 no hydrogen 3.157 N/A ALA 624.A N TYR 621.A O no hydrogen 2.993 N/A CYS 625.A N TYR 621.A O no hydrogen 2.858 N/A CYS 625.A SG CYS 622.A O no hydrogen 3.826 N/A CYS 625.A SG GLY 626.A O no hydrogen 3.738 N/A MET 627.A N ASP 262.A OD2 no hydrogen 2.642 N/A TYR 628.A OH HIS 595.A ND1 no hydrogen 2.769 N/A LEU 629.A N GLY 626.A O no hydrogen 3.362 N/A LYS 630.A N MET 627.A O no hydrogen 3.341 N/A LEU 632.A N TYR 628.A O no hydrogen 3.253 N/A ASN 633.A N LEU 629.A O no hydrogen 3.122 N/A ARG 634.A N LYS 630.A O no hydrogen 3.404 N/A ARG 634.A NE GLY 680.A O no hydrogen 3.384 N/A ARG 634.A NH2 GLN 679.A O no hydrogen 2.458 N/A GLN 635.A N HIS 631.A O no hydrogen 3.076 N/A VAL 636.A N LEU 632.A O no hydrogen 2.938 N/A GLU 637.A N ASN 633.A O no hydrogen 3.150 N/A MET 639.A N GLN 635.A O no hydrogen 3.329 N/A GLU 640.A N VAL 636.A O no hydrogen 3.022 N/A LYS 641.A N GLU 637.A O no hydrogen 3.235 N/A LYS 641.A NZ ASP 673.A O no hydrogen 3.308 N/A LEU 642.A N ALA 638.A O no hydrogen 3.247 N/A ILE 643.A N MET 639.A O no hydrogen 2.845 N/A ASN 644.A N GLU 640.A O no hydrogen 3.191 N/A LEU 645.A N LYS 641.A O no hydrogen 3.003 N/A THR 646.A N LEU 642.A O no hydrogen 3.141 N/A THR 646.A OG1 LEU 642.A O no hydrogen 2.888 N/A ASP 647.A N ILE 643.A O no hydrogen 3.150 N/A ILE 648.A N ASN 644.A O no hydrogen 3.368 N/A LYS 650.A N THR 646.A O no hydrogen 2.975 N/A LYS 650.A NZ ASN 733.A O no hydrogen 3.101 N/A GLN 651.A N ASP 647.A O no hydrogen 2.840 N/A GLU 652.A N ILE 648.A O no hydrogen 2.912 N/A LYS 653.A N ILE 648.A O no hydrogen 3.021 N/A LYS 654.A NZ GLN 651.A O no hydrogen 2.255 N/A GLN 661.A NE2 LYS 653.A O no hydrogen 2.478 N/A MET 662.A N GLN 658.A O no hydrogen 3.034 N/A LYS 663.A N LYS 659.A O no hydrogen 3.371 N/A PHE 664.A N VAL 660.A O no hydrogen 2.966 N/A LEU 665.A N GLN 661.A O no hydrogen 2.959 N/A VAL 666.A N MET 662.A O no hydrogen 3.261 N/A GLU 667.A N LYS 663.A O no hydrogen 2.759 N/A GLN 668.A N PHE 664.A O no hydrogen 2.738 N/A MET 669.A N LEU 665.A O no hydrogen 2.749 N/A ARG 670.A N VAL 666.A O no hydrogen 3.074 N/A ARG 671.A NE ASP 673.A OD1 no hydrogen 2.486 N/A ARG 671.A NE ASP 673.A OD2 no hydrogen 3.451 N/A PHE 674.A N ASP 673.A OD1 no hydrogen 2.510 N/A MET 675.A N ARG 671.A O no hydrogen 3.158 N/A ASP 676.A N ASP 673.A O no hydrogen 3.422 N/A ALA 688.A N ASN 686.A OD1 no hydrogen 3.235 N/A LEU 691.A N PHE 681.A O no hydrogen 3.012 N/A ARG 695.A N ASN 712.A O no hydrogen 3.259 N/A ARG 695.A NE GLU 714.A OE2 no hydrogen 2.487 N/A GLU 697.A N GLU 697.A OE1 no hydrogen 2.637 N/A GLU 698.A N ARG 695.A O no hydrogen 2.970 N/A CYS 699.A N ARG 695.A O no hydrogen 3.069 N/A CYS 699.A SG ARG 695.A O no hydrogen 3.247 N/A MET 702.A N PRO 708.A O no hydrogen 3.107 N/A LYS 706.A NZ ASP 735.A OD1 no hydrogen 2.253 N/A ARG 707.A N SER 704.A O no hydrogen 3.330 N/A LEU 709.A N PHE 731.A O no hydrogen 3.034 N/A TRP 710.A N ARG 700.A O no hydrogen 2.910 N/A LEU 711.A N ILE 729.A O no hydrogen 3.139 N/A TRP 713.A N ASN 727.A O no hydrogen 2.810 N/A TRP 713.A NE1 LEU 678.A O no hydrogen 3.128 N/A ASN 715.A ND2 GLY 218.A O no hydrogen 2.769 N/A ASN 715.A ND2 PHE 724.A O no hydrogen 3.593 N/A ASP 717.A N ASN 715.A OD1 no hydrogen 3.294 N/A ILE 718.A N ASP 717.A OD1 no hydrogen 2.467 N/A GLU 721.A N GLU 721.A OE1 no hydrogen 2.641 N/A ILE 729.A N LEU 711.A O no hydrogen 3.081 N/A ILE 730.A N ILE 778.A O no hydrogen 2.754 N/A PHE 731.A N LEU 709.A O no hydrogen 2.984 N/A LYS 732.A N GLY 776.A O no hydrogen 3.191 N/A LYS 732.A NZ ASP 735.A OD2 no hydrogen 3.444 N/A ASN 733.A ND2 ASP 647.A OD1 no hydrogen 3.377 N/A GLY 734.A N CYS 774.A O no hydrogen 2.831 N/A ARG 738.A N ASP 736.A OD1 no hydrogen 3.302 N/A ARG 738.A NH2 ASP 736.A OD2 no hydrogen 3.383 N/A THR 743.A N GLN 739.A O no hydrogen 3.328 N/A THR 743.A OG1 GLN 739.A O no hydrogen 2.771 N/A LEU 744.A N ASP 740.A O no hydrogen 2.822 N/A GLN 745.A N LEU 742.A O no hydrogen 3.273 N/A GLN 745.A NE2 GLN 564.A OE1 no hydrogen 3.470 N/A ILE 746.A N LEU 742.A O no hydrogen 3.251 N/A ILE 747.A N THR 743.A O no hydrogen 3.350 N/A ARG 748.A NH2 PRO 765.A O no hydrogen 2.292 N/A ILE 749.A N ILE 746.A O no hydrogen 2.848 N/A MET 750.A N ILE 746.A O no hydrogen 2.754 N/A GLU 751.A N ILE 747.A O no hydrogen 3.392 N/A ILE 753.A N MET 750.A O no hydrogen 3.034 N/A TRP 754.A N MET 750.A O no hydrogen 3.223 N/A GLN 755.A N GLU 751.A O no hydrogen 3.200 N/A ASN 756.A N ILE 753.A O no hydrogen 3.060 N/A GLN 757.A N ILE 753.A O no hydrogen 2.992 N/A GLY 758.A N TRP 754.A O no hydrogen 3.273 N/A LEU 759.A N TRP 754.A O no hydrogen 3.085 N/A ARG 762.A N ARG 823.A O no hydrogen 3.096 N/A MET 763.A N GLU 751.A OE2 no hydrogen 2.948 N/A LEU 764.A N TYR 828.A OH no hydrogen 2.391 N/A GLY 767.A N GLU 779.A OE1 no hydrogen 2.776 N/A CYS 768.A SG ASP 740.A OD1 no hydrogen 3.159 N/A CYS 768.A SG LEU 777.A O no hydrogen 4.027 N/A LEU 769.A N LEU 777.A O no hydrogen 3.345 N/A ILE 771.A N VAL 775.A O no hydrogen 2.891 N/A GLY 772.A N VAL 775.A O no hydrogen 3.393 N/A GLY 776.A N LYS 732.A O no hydrogen 3.249 N/A LEU 777.A N LEU 769.A O no hydrogen 2.814 N/A ILE 778.A N ILE 730.A O no hydrogen 3.103 N/A GLU 779.A N GLY 767.A O no hydrogen 3.443 N/A SER 784.A OG VAL 781.A O no hydrogen 3.507 N/A HIS 785.A N VAL 847.A O no hydrogen 3.332 N/A ILE 787.A N ILE 845.A O no hydrogen 2.932 N/A GLN 789.A N THR 786.A OG1 no hydrogen 3.242 N/A ILE 790.A N THR 786.A O no hydrogen 3.093 N/A GLN 791.A N ILE 787.A O no hydrogen 3.228 N/A GLN 791.A NE2 ASP 875.A OD2 no hydrogen 2.992 N/A CYS 792.A N MET 788.A O no hydrogen 3.079 N/A LYS 793.A N GLN 789.A O no hydrogen 3.398 N/A GLY 794.A N GLN 791.A O no hydrogen 3.201 N/A GLY 795.A N LYS 793.A O no hydrogen 2.869 N/A SER 798.A N ASN 797.A OD1 no hydrogen 2.504 N/A HIS 799.A N ASN 797.A OD1 no hydrogen 3.395 N/A HIS 802.A NE2 TYR 814.A OH no hydrogen 2.229 N/A GLN 803.A N HIS 799.A O no hydrogen 2.801 N/A TRP 804.A N THR 800.A O no hydrogen 2.851 N/A LEU 805.A N LEU 801.A O no hydrogen 3.217 N/A LYS 806.A N HIS 802.A O no hydrogen 2.900 N/A ASP 807.A N GLN 803.A O no hydrogen 2.917 N/A LYS 808.A N TRP 804.A O no hydrogen 3.049 N/A GLU 812.A N GLU 812.A OE1 no hydrogen 2.552 N/A ALA 816.A N ILE 813.A O no hydrogen 2.892 N/A ALA 817.A N ILE 813.A O no hydrogen 3.399 N/A LEU 820.A N ALA 816.A O no hydrogen 3.230 N/A THR 822.A OG1 ILE 818.A O no hydrogen 3.112 N/A ARG 823.A N ASP 819.A O no hydrogen 3.117 N/A SER 824.A OG LEU 820.A O no hydrogen 2.830 N/A SER 824.A OG GLN 852.A O no hydrogen 2.431 N/A CYS 825.A N PHE 821.A O no hydrogen 3.216 N/A CYS 829.A N ALA 826.A O no hydrogen 2.980 N/A CYS 829.A SG CYS 825.A O no hydrogen 3.068 N/A VAL 830.A N ALA 826.A O no hydrogen 3.100 N/A THR 832.A OG1 TYR 828.A O no hydrogen 3.029 N/A GLY 836.A N PHE 833.A O no hydrogen 3.124 N/A ILE 837.A N THR 832.A O no hydrogen 3.209 N/A ARG 840.A NE ASP 839.A O no hydrogen 2.339 N/A ARG 840.A NH1 HIS 855.A ND1 no hydrogen 3.120 N/A ARG 840.A NH1 ILE 856.A O no hydrogen 2.956 N/A ARG 840.A NH2 ASP 839.A O no hydrogen 2.938 N/A ARG 840.A NH2 ILE 856.A O no hydrogen 2.947 N/A ARG 840.A NH2 ASP 857.A O no hydrogen 3.064 N/A HIS 841.A N ASN 844.A OD1 no hydrogen 2.797 N/A ASN 844.A ND2 ASP 839.A O no hydrogen 3.137 N/A ILE 845.A N ASN 842.A O no hydrogen 3.051 N/A MET 846.A N PHE 854.A O no hydrogen 2.611 N/A VAL 847.A N HIS 785.A O no hydrogen 3.068 N/A PHE 854.A N MET 846.A O no hydrogen 2.219 N/A ILE 856.A N ASN 844.A O no hydrogen 3.172 N/A HIS 860.A ND1 ASP 863.A OD2 no hydrogen 3.350 N/A LYS 865.A NZ ASP 934.A O no hydrogen 3.513 N/A ARG 867.A NH1 ARG 867.A O no hydrogen 3.502 N/A THR 873.A OG1 ASP 875.A OD1 no hydrogen 2.947 N/A LEU 877.A N GLN 874.A O no hydrogen 3.040 N/A ILE 878.A N GLN 874.A O no hydrogen 3.297 N/A ILE 880.A N LEU 877.A O no hydrogen 2.974 N/A SER 881.A N LEU 877.A O no hydrogen 2.877 N/A SER 881.A OG LEU 877.A O no hydrogen 3.132 N/A GLY 883.A N ILE 878.A O no hydrogen 2.639 N/A ALA 884.A N SER 881.A O no hydrogen 3.242 N/A CYS 887.A SG SER 881.A OG no hydrogen 2.476 N/A CYS 887.A SG ALA 884.A O no hydrogen 3.280 N/A LYS 889.A N GLU 886.A OE2 no hydrogen 2.241 N/A THR 890.A N CYS 887.A O no hydrogen 3.470 N/A THR 890.A OG1 GLU 886.A O no hydrogen 2.569 N/A ARG 891.A NH1 ARG 891.A O no hydrogen 2.750 N/A GLU 892.A N GLU 892.A OE1 no hydrogen 2.878 N/A GLU 894.A N ARG 891.A O no hydrogen 3.420 N/A GLN 897.A N PHE 893.A O no hydrogen 2.956 N/A MET 899.A N PHE 896.A O no hydrogen 3.068 N/A CYS 900.A N PHE 896.A O no hydrogen 3.148 N/A CYS 900.A SG PHE 896.A O no hydrogen 3.557 N/A TYR 901.A N GLN 897.A O no hydrogen 3.187 N/A LYS 902.A NZ GLU 898.A O no hydrogen 3.420 N/A LYS 902.A NZ GLU 898.A OE2 no hydrogen 2.593 N/A TYR 904.A N CYS 900.A O no hydrogen 3.024 N/A TYR 904.A OH THR 941.A O no hydrogen 2.535 N/A LEU 905.A N TYR 901.A O no hydrogen 3.319 N/A ILE 907.A N ALA 903.A O no hydrogen 3.215 N/A ARG 908.A N LEU 905.A O no hydrogen 2.717 N/A ARG 908.A NE LEU 942.A O no hydrogen 2.877 N/A ARG 908.A NH2 ALA 943.A O no hydrogen 2.849 N/A GLN 909.A N LEU 905.A O no hydrogen 2.843 N/A HIS 910.A ND1 ALA 906.A O no hydrogen 3.056 N/A ASN 912.A ND2 ARG 467.A O no hydrogen 3.367 N/A ILE 915.A N ALA 911.A O no hydrogen 3.083 N/A ASN 916.A N ASN 912.A O no hydrogen 2.848 N/A SER 919.A OG ILE 915.A O no hydrogen 3.283 N/A GLY 923.A N TYR 571.A OH no hydrogen 2.208 N/A SER 924.A OG MET 921.A O no hydrogen 2.884 N/A MET 926.A N SER 924.A OG no hydrogen 3.311 N/A LEU 929.A N MET 926.A O no hydrogen 3.321 N/A ASP 933.A N SER 931.A OG no hydrogen 3.399 N/A ASP 934.A N SER 931.A O no hydrogen 3.187 N/A ILE 935.A N PHE 932.A O no hydrogen 3.391 N/A ARG 939.A N ALA 936.A O no hydrogen 3.137 N/A ARG 939.A NE ASP 468.A OD2 no hydrogen 2.749 N/A ARG 939.A NH2 ASP 945.A OD1 no hydrogen 2.521 N/A LYS 940.A N TYR 937.A O no hydrogen 3.345 N/A THR 941.A OG1 ILE 834.A O no hydrogen 3.153 N/A THR 941.A OG1 TYR 937.A O no hydrogen 3.377 N/A THR 941.A OG1 ILE 938.A O no hydrogen 3.473 N/A LEU 942.A N ILE 938.A O no hydrogen 3.199 N/A LEU 944.A N ARG 939.A O no hydrogen 3.364 N/A ALA 951.A N THR 947.A O no hydrogen 2.537 N/A LEU 952.A N GLU 948.A O no hydrogen 2.988 N/A TYR 954.A N GLU 950.A O no hydrogen 3.245 N/A TYR 954.A OH LYS 940.A O no hydrogen 3.346 N/A PHE 955.A N ALA 951.A O no hydrogen 3.233 N/A PHE 955.A N LEU 952.A O no hydrogen 3.135 N/A MET 956.A N LEU 952.A O no hydrogen 3.016 N/A LYS 957.A N GLU 953.A O no hydrogen 3.269 N/A GLN 958.A N PHE 955.A O no hydrogen 2.828 N/A MET 959.A N PHE 955.A O no hydrogen 2.938 N/A ASN 960.A N MET 956.A O no hydrogen 3.266 N/A ASP 961.A N LYS 957.A O no hydrogen 3.228 N/A ALA 962.A N MET 959.A O no hydrogen 2.847 N/A ARG 963.A N MET 959.A O no hydrogen 2.494 N/A ARG 963.A NE HIS 964.A ND1 no hydrogen 3.278 N/A GLY 966.A N HIS 964.A O no hydrogen 3.088 N/A