Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g6j_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 9.A N ALA 6.A O no hydrogen 3.010 N/A ILE 10.A N GLU 7.A O no hydrogen 3.273 N/A SER 12.A OG GLU 160.A OE2 no hydrogen 2.671 N/A ARG 13.A N GLY 173.A O no hydrogen 2.591 N/A ARG 13.A NE ASP 172.A OD1 no hydrogen 3.202 N/A ARG 13.A NH1 ASP 46.A O no hydrogen 3.178 N/A ARG 13.A NH2 ILE 80.A O no hydrogen 3.197 N/A ARG 13.A NH2 ASP 172.A OD2 no hydrogen 3.020 N/A SER 14.A N ASP 46.A OD2 no hydrogen 2.930 N/A GLU 15.A N ASP 46.A OD2 no hydrogen 2.804 N/A ASN 23.A N LEU 21.A O no hydrogen 2.840 N/A ILE 35.A N LYS 32.A O no hydrogen 3.307 N/A SER 36.A OG GLU 29.A O no hydrogen 2.912 N/A ASP 46.A N GLU 15.A O no hydrogen 2.989 N/A THR 50.A N THR 49.A OG1 no hydrogen 2.609 N/A THR 50.A OG1 THR 73.A OG1 no hydrogen 3.035 N/A TRP 51.A N VAL 72.A O no hydrogen 2.797 N/A ILE 53.A N PHE 70.A O no hydrogen 2.844 N/A SER 57.A N CYS 65.A O no hydrogen 2.806 N/A SER 59.A N GLY 63.A O no hydrogen 3.072 N/A LYS 61.A N SER 59.A OG no hydrogen 3.369 N/A LYS 62.A N SER 59.A OG no hydrogen 3.228 N/A GLY 63.A N SER 59.A O no hydrogen 3.052 N/A CYS 65.A N SER 57.A O no hydrogen 2.895 N/A ALA 67.A N ALA 55.A O no hydrogen 2.876 N/A PHE 70.A N ILE 53.A O no hydrogen 2.946 N/A VAL 72.A N TRP 51.A O no hydrogen 3.079 N/A THR 73.A OG1 THR 50.A OG1 no hydrogen 3.035 N/A VAL 74.A N THR 49.A O no hydrogen 2.985 N/A PHE 79.A N TYR 101.A O no hydrogen 3.453 N/A ILE 80.A N ASP 172.A OD2 no hydrogen 3.178 N/A ASP 81.A N VAL 99.A O no hydrogen 2.690 N/A ARG 83.A N ARG 97.A O no hydrogen 2.975 N/A LEU 84.A N LEU 82.A O no hydrogen 3.162 N/A VAL 88.A N LYS 179.A O no hydrogen 3.009 N/A ARG 90.A N VAL 181.A O no hydrogen 3.021 N/A ASN 91.A N PRO 151.A O no hydrogen 2.702 N/A GLN 93.A NE2 GLY 742.A O no hydrogen 2.981 N/A VAL 94.A N ILE 149.A O no hydrogen 3.051 N/A ILE 96.A N TYR 147.A O no hydrogen 2.934 N/A ALA 98.A N VAL 145.A O no hydrogen 2.799 N/A VAL 99.A N ASP 81.A O no hydrogen 2.906 N/A LEU 100.A N LEU 143.A O no hydrogen 2.946 N/A TYR 101.A N PHE 79.A O no hydrogen 3.047 N/A ASN 102.A N SER 141.A O no hydrogen 2.974 N/A ASN 102.A ND2 GLN 107.A O no hydrogen 3.066 N/A ASN 102.A ND2 ILE 137.A O no hydrogen 3.009 N/A ASN 102.A ND2 PRO 138.A O no hydrogen 3.056 N/A TYR 103.A N ASP 77.A O no hydrogen 2.764 N/A ARG 104.A N ASN 102.A OD1 no hydrogen 3.208 N/A ARG 104.A NH1 ASP 77.A OD2 no hydrogen 3.437 N/A LEU 109.A N ILE 137.A O no hydrogen 3.009 N/A VAL 111.A N VAL 135.A O no hydrogen 2.765 N/A ARG 112.A N ALA 164.A O no hydrogen 2.907 N/A VAL 113.A N GLN 133.A O no hydrogen 2.950 N/A GLU 114.A N LYS 162.A O no hydrogen 2.894 N/A LEU 115.A N HIS 131.A O no hydrogen 3.151 N/A LEU 116.A N GLU 160.A O no hydrogen 3.025 N/A HIS 117.A ND1 ALA 125.A O no hydrogen 2.982 N/A ASN 118.A ND2 GLU 158.A O no hydrogen 2.781 N/A ALA 120.A N ASN 118.A OD1 no hydrogen 3.238 N/A PHE 121.A N ASN 118.A O no hydrogen 2.711 N/A CYS 122.A N VAL 150.A O no hydrogen 2.938 N/A SER 123.A OG ALA 125.A O no hydrogen 3.350 N/A ALA 125.A N SER 123.A OG no hydrogen 3.108 N/A THR 126.A N ARG 129.A O no hydrogen 2.965 N/A ARG 129.A N THR 126.A O no hydrogen 3.179 N/A ARG 129.A NE LEU 124.A O no hydrogen 3.395 N/A ARG 129.A NH2 LEU 124.A O no hydrogen 3.182 N/A ARG 130.A NH1 GLU 7.A OE1 no hydrogen 3.283 N/A ARG 130.A NH1 GLU 114.A OE1 no hydrogen 3.316 N/A ARG 130.A NH1 GLU 114.A OE2 no hydrogen 3.072 N/A ARG 130.A NH2 GLU 7.A OE1 no hydrogen 3.513 N/A GLN 133.A N VAL 113.A O no hydrogen 2.984 N/A VAL 135.A N VAL 111.A O no hydrogen 2.887 N/A ILE 137.A N LEU 109.A O no hydrogen 2.837 N/A LYS 140.A N ARG 104.A O no hydrogen 3.071 N/A SER 141.A N ASN 102.A O no hydrogen 3.319 N/A SER 141.A OG PRO 138.A O no hydrogen 2.671 N/A SER 141.A OG PRO 139.A O no hydrogen 2.887 N/A LEU 143.A N LEU 100.A O no hydrogen 2.898 N/A VAL 145.A N ALA 98.A O no hydrogen 2.803 N/A TYR 147.A N ILE 96.A O no hydrogen 2.764 N/A ILE 149.A N VAL 94.A O no hydrogen 2.995 N/A VAL 150.A N CYS 122.A O no hydrogen 2.956 N/A LEU 152.A N ALA 120.A O no hydrogen 2.746 N/A GLY 155.A N VAL 180.A O no hydrogen 2.943 N/A GLN 157.A N LEU 178.A O no hydrogen 3.020 N/A GLN 157.A NE2 LYS 153.A O no hydrogen 3.576 N/A GLN 157.A NE2 THR 154.A O no hydrogen 2.789 N/A VAL 159.A N LYS 176.A O no hydrogen 3.104 N/A VAL 161.A N VAL 174.A O no hydrogen 3.245 N/A LYS 162.A N GLU 114.A O no hydrogen 3.052 N/A LYS 162.A NZ GLU 7.A O no hydrogen 2.847 N/A LYS 162.A NZ GLU 7.A OE2 no hydrogen 2.629 N/A LYS 162.A NZ ILE 10.A O no hydrogen 3.061 N/A ALA 163.A N ASP 172.A O no hydrogen 2.741 N/A ALA 164.A N ARG 112.A O no hydrogen 3.158 N/A VAL 165.A N ILE 170.A O no hydrogen 3.024 N/A TYR 166.A N LYS 110.A O no hydrogen 2.890 N/A HIS 167.A N ASP 3.A O no hydrogen 3.081 N/A HIS 167.A ND1 ASP 3.A OD2 no hydrogen 2.690 N/A ASP 172.A N ALA 163.A O no hydrogen 2.789 N/A VAL 174.A N VAL 161.A O no hydrogen 2.879 N/A ARG 175.A N ARG 13.A O no hydrogen 2.864 N/A ARG 175.A NE GLU 158.A OE1 no hydrogen 3.092 N/A LEU 178.A N GLN 157.A O no hydrogen 2.765 N/A LYS 179.A N TYR 86.A O no hydrogen 3.501 N/A LYS 179.A NZ TYR 86.A OH no hydrogen 3.090 N/A VAL 180.A N GLY 155.A O no hydrogen 2.763 N/A VAL 181.A N VAL 88.A O no hydrogen 3.029 N/A ARG 194.A NH1 ASP 210.A O no hydrogen 3.369 N/A ARG 194.A NH2 ASP 210.A O no hydrogen 3.348 N/A LEU 196.A N GLY 589.A O no hydrogen 3.339 N/A ASP 197.A N THR 195.A O no hydrogen 2.853 N/A GLN 207.A NE2 THR 195.A O no hydrogen 3.637 N/A GLN 207.A NE2 GLU 209.A OE2 no hydrogen 3.365 N/A SER 217.A OG ASP 215.A OD2 no hydrogen 3.336 N/A VAL 220.A N HIS 598.A O no hydrogen 2.846 N/A THR 223.A OG1 GLU 224.A O no hydrogen 3.407 N/A SER 225.A OG LYS 574.A O no hydrogen 3.368 N/A THR 227.A OG1 THR 573.A OG1 no hydrogen 3.163 N/A THR 234.A OG1 GLN 588.A OE1 no hydrogen 2.919 N/A THR 240.A OG1 GLN 238.A O no hydrogen 2.947 N/A VAL 244.A N TYR 276.A OH no hydrogen 2.836 N/A ARG 248.A NE TYR 511.A OH no hydrogen 3.333 N/A ARG 248.A NH2 TYR 511.A OH no hydrogen 3.307 N/A LEU 252.A N LEU 249.A O no hydrogen 3.155 N/A VAL 254.A N THR 270.A OG1 no hydrogen 3.010 N/A CYS 259.A SG GLN 262.A OE1 no hydrogen 3.762 N/A ASN 263.A ND2 GLY 301.A O no hydrogen 3.172 N/A ASN 263.A ND2 GLN 305.A OE1 no hydrogen 2.976 N/A ILE 265.A N GLU 261.A O no hydrogen 2.957 N/A GLY 266.A N GLN 262.A O no hydrogen 3.265 N/A MET 267.A N ASN 263.A O no hydrogen 3.186 N/A THR 268.A OG1 MET 264.A O no hydrogen 2.700 N/A THR 268.A OG1 TYR 330.A OH no hydrogen 2.510 N/A THR 270.A OG1 LEU 252.A O no hydrogen 3.433 N/A THR 270.A OG1 VAL 254.A O no hydrogen 2.971 N/A THR 270.A OG1 GLY 266.A O no hydrogen 3.410 N/A VAL 271.A N MET 267.A O no hydrogen 3.206 N/A ILE 272.A N THR 268.A O no hydrogen 3.348 N/A ALA 273.A N PRO 269.A O no hydrogen 3.166 N/A VAL 274.A N THR 270.A O no hydrogen 3.211 N/A HIS 275.A N VAL 271.A O no hydrogen 3.112 N/A TYR 276.A N ILE 272.A O no hydrogen 2.975 N/A LEU 277.A N ALA 273.A O no hydrogen 3.144 N/A ASP 278.A N VAL 274.A O no hydrogen 2.811 N/A THR 280.A N TYR 276.A O no hydrogen 3.099 N/A THR 280.A OG1 TYR 276.A O no hydrogen 2.892 N/A TRP 283.A NE1 ASP 278.A OD1 no hydrogen 3.054 N/A LYS 290.A NZ PHE 286.A O no hydrogen 2.675 N/A ARG 291.A N LEU 288.A O no hydrogen 3.393 N/A ARG 291.A NH2 ASP 278.A OD2 no hydrogen 3.495 N/A ALA 294.A N LYS 290.A O no hydrogen 2.769 N/A LEU 295.A N ARG 291.A O no hydrogen 2.840 N/A LYS 299.A N LEU 295.A O no hydrogen 2.957 N/A LYS 300.A N GLU 296.A O no hydrogen 2.999 N/A LYS 300.A NZ GLN 304.A OE1 no hydrogen 3.006 N/A GLY 301.A N LEU 297.A O no hydrogen 2.785 N/A TYR 302.A N ILE 298.A O no hydrogen 2.701 N/A THR 303.A N LYS 299.A O no hydrogen 2.995 N/A THR 303.A OG1 LYS 299.A O no hydrogen 2.713 N/A GLN 304.A N LYS 300.A O no hydrogen 3.253 N/A GLN 304.A NE2 PRO 256.A O no hydrogen 3.574 N/A GLN 304.A NE2 ASN 263.A OD1 no hydrogen 3.244 N/A GLN 305.A N GLY 301.A O no hydrogen 3.068 N/A LEU 306.A N TYR 302.A O no hydrogen 3.091 N/A ALA 307.A N GLN 304.A O no hydrogen 3.219 N/A PHE 308.A N GLN 305.A O no hydrogen 3.174 N/A ARG 309.A N LEU 306.A O no hydrogen 3.294 N/A GLN 310.A N ALA 314.A O no hydrogen 3.027 N/A GLN 310.A NE2 ARG 321.A O no hydrogen 3.051 N/A SER 313.A N GLN 310.A O no hydrogen 2.893 N/A PHE 315.A N THR 328.A OG1 no hydrogen 3.393 N/A SER 324.A N PHE 315.A O no hydrogen 3.298 N/A SER 324.A OG GLU 369.A OE2 no hydrogen 2.816 N/A SER 324.A OG ALA 371.A O no hydrogen 2.744 N/A THR 325.A OG1 GLN 368.A O no hydrogen 3.112 N/A THR 325.A OG1 ASP 370.A OD1 no hydrogen 3.342 N/A TRP 326.A N GLU 369.A OE1 no hydrogen 3.133 N/A THR 328.A OG1 SER 324.A O no hydrogen 2.917 N/A TYR 330.A N TRP 326.A O no hydrogen 2.878 N/A TYR 330.A OH THR 268.A OG1 no hydrogen 2.510 N/A VAL 331.A N LEU 327.A O no hydrogen 3.045 N/A VAL 332.A N THR 328.A O no hydrogen 3.392 N/A LYS 333.A N ALA 329.A O no hydrogen 3.136 N/A VAL 334.A N TYR 330.A O no hydrogen 3.037 N/A PHE 335.A N VAL 331.A O no hydrogen 3.027 N/A SER 336.A N VAL 332.A O no hydrogen 2.888 N/A SER 336.A OG VAL 332.A O no hydrogen 2.562 N/A LEU 337.A N LYS 333.A O no hydrogen 3.151 N/A ALA 338.A N VAL 334.A O no hydrogen 3.111 N/A ILE 342.A N ALA 338.A O no hydrogen 3.495 N/A VAL 348.A N ASP 345.A O no hydrogen 3.252 N/A CYS 350.A SG GLN 410.A OE1 no hydrogen 3.617 N/A ALA 352.A N VAL 348.A O no hydrogen 3.022 N/A LYS 354.A N CYS 350.A O no hydrogen 2.905 N/A TRP 355.A N GLY 351.A O no hydrogen 3.487 N/A ILE 357.A N VAL 353.A O no hydrogen 3.368 N/A LEU 358.A N LYS 354.A O no hydrogen 3.350 N/A GLU 359.A N TRP 355.A O no hydrogen 3.090 N/A LYS 360.A N LEU 356.A O no hydrogen 3.097 N/A LYS 360.A NZ ASP 370.A OD2 no hydrogen 2.668 N/A LYS 362.A NZ GLN 368.A OE1 no hydrogen 2.899 N/A ASP 370.A N THR 325.A OG1 no hydrogen 3.218 N/A HIS 375.A N GLU 261.A OE1 no hydrogen 3.071 N/A GLN 376.A N ILE 374.A O no hydrogen 2.912 N/A MET 378.A N HIS 375.A O no hydrogen 3.426 N/A GLY 381.A N GLU 480.A OE1 no hydrogen 3.394 N/A ARG 383.A N GLY 380.A O no hydrogen 3.128 N/A LYS 388.A NZ ASN 385.A OD1 no hydrogen 2.741 N/A MET 390.A N GLU 387.A O no hydrogen 3.337 N/A THR 393.A OG1 ASP 389.A O no hydrogen 2.501 N/A PHE 395.A N ALA 391.A O no hydrogen 2.907 N/A ILE 398.A N ALA 394.A O no hydrogen 2.927 N/A SER 399.A N PHE 395.A O no hydrogen 3.409 N/A SER 399.A OG ALA 329.A O no hydrogen 2.790 N/A SER 399.A OG PHE 395.A O no hydrogen 3.446 N/A LEU 400.A N VAL 396.A O no hydrogen 3.343 N/A GLN 401.A N LEU 397.A O no hydrogen 2.904 N/A GLN 401.A NE2 ALA 444.A O no hydrogen 3.473 N/A GLU 402.A N ILE 398.A O no hydrogen 3.037 N/A ALA 403.A N SER 399.A O no hydrogen 3.322 N/A CYS 407.A N ALA 403.A O no hydrogen 3.032 N/A CYS 407.A SG ALA 403.A O no hydrogen 3.698 N/A SER 417.A N LEU 414.A O no hydrogen 3.183 N/A SER 417.A OG GLN 361.A OE1 no hydrogen 2.676 N/A ILE 418.A N LEU 414.A O no hydrogen 3.345 N/A LYS 420.A N GLY 416.A O no hydrogen 3.323 N/A GLY 422.A N ILE 418.A O no hydrogen 3.232 N/A ASP 423.A N LYS 420.A O no hydrogen 3.089 N/A PHE 424.A N LYS 420.A O no hydrogen 3.252 N/A LEU 425.A N ALA 421.A O no hydrogen 3.409 N/A ALA 427.A N ASP 423.A O no hydrogen 2.924 N/A ASN 428.A N PHE 424.A O no hydrogen 3.223 N/A TYR 429.A N GLU 426.A O no hydrogen 3.374 N/A TYR 429.A OH VAL 438.A O no hydrogen 2.704 N/A ASN 431.A N ASN 428.A O no hydrogen 3.271 N/A ASN 431.A ND2 MET 430.A O no hydrogen 2.728 N/A ARG 434.A NH1 ASN 386.A O no hydrogen 3.302 N/A ARG 434.A NH2 GLY 381.A O no hydrogen 3.451 N/A SER 435.A N ASP 471.A OD1 no hydrogen 3.475 N/A SER 435.A OG GLU 470.A O no hydrogen 2.920 N/A TYR 436.A N ASP 471.A OD2 no hydrogen 3.189 N/A TYR 436.A OH GLU 480.A OE2 no hydrogen 2.746 N/A ALA 439.A N SER 435.A O no hydrogen 3.149 N/A ALA 439.A N TYR 436.A O no hydrogen 3.249 N/A ILE 440.A N TYR 436.A O no hydrogen 2.994 N/A TYR 443.A N ALA 439.A O no hydrogen 3.160 N/A LEU 445.A N ALA 441.A O no hydrogen 3.155 N/A ALA 446.A N GLY 442.A O no hydrogen 3.280 N/A GLN 447.A N TYR 443.A O no hydrogen 3.394 N/A MET 448.A N LEU 445.A O no hydrogen 3.174 N/A ARG 450.A N LEU 445.A O no hydrogen 3.468 N/A ARG 450.A NH1 THR 419.A O no hydrogen 3.429 N/A ARG 450.A NH2 GLU 426.A OE1 no hydrogen 3.338 N/A ASN 457.A N GLY 453.A O no hydrogen 2.992 N/A LYS 458.A N PRO 454.A O no hydrogen 3.004 N/A LYS 458.A NZ LEU 432.A O no hydrogen 2.862 N/A THR 461.A N ASN 457.A O no hydrogen 2.891 N/A THR 461.A OG1 ASN 457.A O no hydrogen 3.099 N/A THR 462.A N LYS 458.A O no hydrogen 3.154 N/A THR 462.A OG1 LYS 458.A O no hydrogen 2.615 N/A LYS 464.A N ARG 468.A O no hydrogen 3.071 N/A LYS 466.A N ALA 463.A O no hydrogen 3.169 N/A ARG 468.A NE GLU 470.A OE2 no hydrogen 3.447 N/A TRP 469.A N THR 482.A OG1 no hydrogen 2.971 N/A ASP 471.A N ASN 478.A OD1 no hydrogen 3.058 N/A ASN 478.A ND2 ASP 471.A O no hydrogen 3.653 N/A GLU 480.A N LEU 476.A O no hydrogen 3.353 N/A ALA 481.A N TYR 477.A O no hydrogen 3.271 N/A THR 482.A N ASN 478.A O no hydrogen 3.478 N/A THR 482.A OG1 ASN 478.A O no hydrogen 3.250 N/A SER 483.A N VAL 479.A O no hydrogen 3.428 N/A SER 483.A OG VAL 479.A O no hydrogen 3.089 N/A TYR 484.A N GLU 480.A O no hydrogen 3.252 N/A ALA 485.A N ALA 481.A O no hydrogen 3.269 N/A LEU 486.A N THR 482.A O no hydrogen 2.770 N/A LEU 487.A N SER 483.A O no hydrogen 3.227 N/A ALA 488.A N TYR 484.A O no hydrogen 3.153 N/A LEU 489.A N ALA 485.A O no hydrogen 2.842 N/A LEU 490.A N LEU 486.A O no hydrogen 2.981 N/A LEU 492.A N ALA 488.A O no hydrogen 3.130 N/A VAL 501.A N VAL 498.A O no hydrogen 3.269 N/A VAL 502.A N VAL 498.A O no hydrogen 3.421 N/A ARG 503.A N PRO 499.A O no hydrogen 3.034 N/A TRP 504.A N PRO 500.A O no hydrogen 3.429 N/A LEU 505.A N VAL 501.A O no hydrogen 3.479 N/A ASN 506.A N VAL 502.A O no hydrogen 2.958 N/A ASN 506.A ND2 ASP 242.A O no hydrogen 3.266 N/A GLU 507.A N ARG 503.A O no hydrogen 3.272 N/A GLU 507.A N TRP 504.A O no hydrogen 2.998 N/A GLN 508.A N LEU 505.A O no hydrogen 3.312 N/A ARG 509.A N LEU 505.A O no hydrogen 3.380 N/A SER 517.A OG GLY 513.A O no hydrogen 2.505 N/A GLN 519.A NE2 MET 378.A O no hydrogen 3.561 N/A THR 521.A N SER 517.A O no hydrogen 2.840 N/A THR 521.A OG1 SER 517.A O no hydrogen 2.541 N/A PHE 522.A N THR 518.A O no hydrogen 3.024 N/A MET 523.A N GLN 519.A O no hydrogen 3.155 N/A PHE 525.A N THR 521.A O no hydrogen 3.335 N/A GLN 526.A N PHE 522.A O no hydrogen 3.263 N/A GLN 526.A NE2 GLU 402.A OE2 no hydrogen 3.148 N/A ALA 527.A N MET 523.A O no hydrogen 3.040 N/A LEU 528.A N VAL 524.A O no hydrogen 3.202 N/A ALA 529.A N GLN 526.A O no hydrogen 3.118 N/A GLN 530.A N GLN 526.A O no hydrogen 2.731 N/A ASP 534.A N GLN 530.A O no hydrogen 3.238 N/A ALA 535.A N TYR 531.A O no hydrogen 2.848 N/A ASN 542.A ND2 GLU 540.A OE1 no hydrogen 2.763 N/A LEU 543.A N LEU 541.A O no hydrogen 3.170 N/A ASP 544.A N GLU 584.A O no hydrogen 3.337 N/A VAL 545.A N HIS 558.A O no hydrogen 3.193 N/A SER 546.A N THR 582.A O no hydrogen 3.169 N/A SER 546.A OG THR 557.A OG1 no hydrogen 2.683 N/A LEU 547.A N ILE 556.A O no hydrogen 3.482 N/A GLN 548.A N THR 580.A O no hydrogen 3.187 N/A ILE 556.A N LEU 547.A O no hydrogen 3.152 N/A THR 557.A OG1 SER 546.A OG no hydrogen 2.683 N/A HIS 558.A N VAL 545.A O no hydrogen 2.814 N/A SER 564.A OG HIS 561.A O no hydrogen 3.505 N/A SER 570.A OG GLU 571.A O no hydrogen 3.408 N/A THR 573.A OG1 THR 227.A OG1 no hydrogen 3.163 N/A ASN 576.A ND2 ALA 214.A O no hydrogen 3.074 N/A ASN 576.A ND2 ASP 215.A O no hydrogen 3.506 N/A THR 580.A N GLN 548.A O no hydrogen 3.323 N/A GLN 588.A NE2 ASP 197.A OD2 no hydrogen 3.441 N/A VAL 594.A N ARG 228.A O no hydrogen 3.297 N/A TYR 597.A OH ASP 218.A OD2 no hydrogen 2.662 N/A GLN 604.A N LYS 602.A O no hydrogen 2.835 N/A ASP 611.A N ARG 633.A O no hydrogen 2.908 N/A LYS 613.A N CYS 631.A O no hydrogen 2.726 N/A THR 615.A N GLU 629.A O no hydrogen 2.995 N/A LYS 617.A N ILE 627.A O no hydrogen 3.371 N/A LYS 617.A NZ THR 615.A OG1 no hydrogen 3.225 N/A THR 622.A OG1 GLU 621.A O no hydrogen 2.935 N/A MET 626.A N VAL 705.A O no hydrogen 2.876 N/A ILE 627.A N LYS 617.A O no hydrogen 2.756 N/A LEU 628.A N PHE 703.A O no hydrogen 3.286 N/A GLU 629.A N THR 615.A O no hydrogen 2.859 N/A ILE 630.A N LEU 701.A O no hydrogen 2.771 N/A CYS 631.A N LYS 613.A O no hydrogen 2.705 N/A CYS 631.A SG GLU 629.A OE1 no hydrogen 3.827 N/A THR 632.A N ASP 699.A O no hydrogen 2.975 N/A THR 632.A OG1 ASP 611.A O no hydrogen 3.157 N/A ARG 633.A N ASP 611.A O no hydrogen 3.138 N/A ARG 635.A NE ASP 611.A OD1 no hydrogen 3.413 N/A GLN 638.A N GLY 636.A O no hydrogen 2.566 N/A ALA 640.A N VAL 693.A O no hydrogen 2.585 N/A MET 642.A N ASP 691.A O no hydrogen 2.808 N/A SER 643.A N LEU 690.A O no hydrogen 2.867 N/A ILE 644.A N TYR 722.A O no hydrogen 2.792 N/A LEU 645.A N ILE 688.A O no hydrogen 2.863 N/A ASP 646.A N LYS 720.A O no hydrogen 2.957 N/A ILE 647.A N LEU 686.A O no hydrogen 2.691 N/A SER 648.A N ALA 718.A O no hydrogen 2.888 N/A SER 648.A OG GLU 95.A OE2 no hydrogen 2.724 N/A SER 648.A OG ALA 718.A O no hydrogen 3.030 N/A MET 649.A N ASN 684.A O no hydrogen 3.034 N/A PHE 653.A N MET 650.A O no hydrogen 2.916 N/A ALA 654.A N HIS 706.A O no hydrogen 2.962 N/A ASP 656.A N LYS 704.A O no hydrogen 2.706 N/A ASP 659.A N ASP 656.A OD1 no hydrogen 3.014 N/A LEU 660.A N ASP 656.A O no hydrogen 3.011 N/A LYS 661.A N THR 657.A O no hydrogen 3.167 N/A GLN 662.A N ASP 658.A O no hydrogen 3.155 N/A LEU 663.A N ASP 659.A O no hydrogen 3.152 N/A ALA 664.A N LEU 660.A O no hydrogen 2.882 N/A ASN 665.A N LYS 661.A O no hydrogen 3.044 N/A GLY 666.A N LEU 663.A O no hydrogen 3.048 N/A TYR 670.A N TYR 689.A O no hydrogen 2.795 N/A LYS 673.A NZ ASP 677.A OD1 no hydrogen 3.524 N/A LYS 673.A NZ ASP 677.A OD2 no hydrogen 3.260 N/A GLU 675.A N SER 672.A O no hydrogen 3.005 N/A LEU 676.A N SER 672.A O no hydrogen 3.324 N/A ASP 677.A N LYS 673.A O no hydrogen 2.755 N/A LYS 678.A N GLU 675.A O no hydrogen 3.426 N/A ARG 683.A NH2 LYS 678.A O no hydrogen 3.313 N/A ASN 684.A ND2 SER 144.A O no hydrogen 3.168 N/A LEU 686.A N ILE 647.A O no hydrogen 2.923 N/A ILE 688.A N LEU 645.A O no hydrogen 2.819 N/A TYR 689.A N TYR 670.A O no hydrogen 2.851 N/A LEU 690.A N SER 643.A O no hydrogen 2.970 N/A ASP 691.A N ASP 668.A O no hydrogen 3.077 N/A LYS 692.A NZ ASP 699.A OD1 no hydrogen 2.930 N/A LYS 692.A NZ ASP 699.A OD2 no hydrogen 2.687 N/A VAL 693.A N ALA 640.A O no hydrogen 3.250 N/A SER 694.A OG ASP 639.A OD1 no hydrogen 3.066 N/A SER 696.A OG ASP 637.A OD1 no hydrogen 3.238 N/A ASP 699.A N THR 632.A O no hydrogen 2.965 N/A LEU 701.A N ILE 630.A O no hydrogen 2.960 N/A PHE 703.A N LEU 628.A O no hydrogen 2.955 N/A LYS 704.A N ASP 659.A OD2 no hydrogen 3.127 N/A VAL 705.A N MET 626.A O no hydrogen 2.961 N/A HIS 706.A N ALA 654.A O no hydrogen 2.847 N/A GLN 707.A N ASN 624.A O no hydrogen 2.960 N/A GLN 707.A NE2 PHE 709.A O no hydrogen 3.385 N/A GLN 707.A NE2 ASN 710.A OD1 no hydrogen 2.795 N/A TYR 708.A N GLY 652.A O no hydrogen 2.840 N/A PHE 709.A N GLY 652.A O no hydrogen 3.398 N/A ILE 714.A N GLU 712.A O no hydrogen 2.691 N/A GLN 715.A N THR 651.A OG1 no hydrogen 2.677 N/A GLY 717.A N TYR 735.A O no hydrogen 2.802 N/A ALA 718.A N SER 648.A O no hydrogen 3.210 N/A VAL 719.A N ARG 733.A O no hydrogen 2.814 N/A LYS 720.A N ASP 646.A O no hydrogen 3.063 N/A VAL 721.A N CYS 731.A O no hydrogen 2.801 N/A TYR 722.A N ILE 644.A O no hydrogen 3.302 N/A TYR 724.A N MET 642.A O no hydrogen 3.221 N/A ASN 726.A N ALA 723.A O no hydrogen 3.228 N/A SER 730.A N GLU 728.A O no hydrogen 2.990 N/A CYS 731.A N VAL 721.A O no hydrogen 3.045 N/A ARG 733.A N VAL 719.A O no hydrogen 2.890 N/A ARG 733.A NE LEU 612.A O no hydrogen 3.117 N/A ARG 733.A NH1 THR 732.A O no hydrogen 3.301 N/A TYR 735.A N GLY 717.A O no hydrogen 3.138 N/A TYR 735.A OH SER 648.A O no hydrogen 2.863 N/A LYS 739.A NZ GLU 757.A OE1 no hydrogen 3.464 N/A LYS 739.A NZ GLU 757.A OE2 no hydrogen 2.717 N/A LEU 744.A N GLN 93.A OE1 no hydrogen 2.838 N/A ASN 745.A N GLU 757.A OE2 no hydrogen 2.937 N/A LEU 747.A N ARG 754.A O no hydrogen 2.852 N/A ARG 754.A N LEU 747.A O no hydrogen 3.002 N/A ALA 756.A N ASN 745.A O no hydrogen 2.893 N/A ILE 762.A N THR 866.A O no hydrogen 2.673 N/A ARG 772.A N THR 768.A O no hydrogen 3.372 N/A ARG 772.A NE GLU 869.A OE1 no hydrogen 3.496 N/A ARG 772.A NH2 GLU 869.A OE2 no hydrogen 3.458 N/A LEU 773.A N LEU 769.A O no hydrogen 3.279 N/A ASP 774.A N GLU 771.A O no hydrogen 3.124 N/A LYS 775.A N GLU 771.A O no hydrogen 3.127 N/A ALA 776.A N ARG 772.A O no hydrogen 2.886 N/A CYS 777.A N ASP 774.A O no hydrogen 2.960 N/A CYS 777.A SG LEU 773.A O no hydrogen 3.272 N/A VAL 781.A N GLU 778.A O no hydrogen 3.002 N/A ASP 782.A N GLY 846.A O no hydrogen 3.043 N/A VAL 784.A N LYS 810.A O no hydrogen 3.124 N/A TYR 785.A N MET 844.A O no hydrogen 2.817 N/A TYR 785.A OH TYR 860.A OH no hydrogen 2.862 N/A LYS 786.A N GLN 807.A O no hydrogen 3.199 N/A THR 787.A N TYR 842.A O no hydrogen 2.763 N/A THR 787.A OG1 TYR 842.A O no hydrogen 3.157 N/A ARG 788.A N ALA 804.A O no hydrogen 2.898 N/A ARG 788.A NH1 GLU 806.A OE2 no hydrogen 3.480 N/A LEU 789.A N LYS 840.A O no hydrogen 3.498 N/A VAL 790.A N ILE 802.A O no hydrogen 3.144 N/A SER 795.A OG ASP 797.A OD1 no hydrogen 2.711 N/A ASP 797.A N ASP 797.A OD1 no hydrogen 2.584 N/A ASP 799.A N SER 826.A O no hydrogen 2.913 N/A GLU 800.A N GLN 793.A O no hydrogen 2.794 N/A TYR 801.A OH ASP 799.A OD2 no hydrogen 3.340 N/A ILE 802.A N LYS 791.A O no hydrogen 3.358 N/A MET 803.A N ARG 822.A O no hydrogen 3.033 N/A ALA 804.A N ARG 788.A O no hydrogen 2.732 N/A ILE 805.A N GLN 820.A O no hydrogen 3.134 N/A GLU 806.A N LYS 786.A O no hydrogen 2.897 N/A LYS 810.A N VAL 784.A O no hydrogen 3.030 N/A LYS 810.A NZ ALA 776.A O no hydrogen 3.208 N/A LYS 810.A NZ VAL 781.A O no hydrogen 3.442 N/A SER 813.A N ASP 782.A OD1 no hydrogen 2.715 N/A VAL 818.A N GLN 817.A OE1 no hydrogen 3.011 N/A GLY 819.A N ILE 805.A O no hydrogen 2.962 N/A GLN 820.A N GLN 817.A O no hydrogen 3.142 N/A ARG 822.A N MET 803.A O no hydrogen 3.024 N/A ARG 822.A NE GLN 821.A O no hydrogen 3.204 N/A ARG 822.A NH1 ASP 814.A OD2 no hydrogen 2.991 N/A PHE 824.A N TYR 801.A O no hydrogen 2.647 N/A ILE 825.A N TYR 860.A O no hydrogen 2.582 N/A SER 826.A N ASP 799.A O no hydrogen 3.343 N/A LYS 829.A NZ ALA 756.A O no hydrogen 3.332 N/A LYS 829.A NZ GLU 758.A O no hydrogen 3.010 N/A ARG 831.A NH1 SER 795.A O no hydrogen 3.260 N/A ALA 833.A N CYS 830.A O no hydrogen 3.110 N/A LEU 834.A N CYS 830.A O no hydrogen 2.970 N/A LYS 835.A N ARG 831.A O no hydrogen 3.455 N/A GLU 837.A N TYR 842.A OH no hydrogen 3.077 N/A LYS 839.A N LEU 789.A O no hydrogen 2.605 N/A LYS 840.A N GLU 837.A O no hydrogen 3.373 N/A LYS 840.A NZ HIS 870.A NE2 no hydrogen 3.542 N/A HIS 841.A NE2 GLU 873.A OE2 no hydrogen 2.845 N/A TYR 842.A N THR 787.A O no hydrogen 2.599 N/A LEU 843.A N GLU 869.A O no hydrogen 2.827 N/A MET 844.A N TYR 785.A O no hydrogen 3.207 N/A TRP 845.A N TRP 867.A O no hydrogen 2.900 N/A LEU 847.A N ASP 850.A OD2 no hydrogen 3.238 N/A ASP 850.A N LEU 847.A O no hydrogen 3.440 N/A TRP 852.A N SER 859.A O no hydrogen 3.269 N/A SER 859.A N TRP 852.A O no hydrogen 2.957 N/A TYR 860.A N THR 823.A O no hydrogen 2.866 N/A TYR 860.A OH TYR 785.A OH no hydrogen 2.862 N/A TYR 860.A OH ASP 814.A OD2 no hydrogen 2.490 N/A ILE 861.A N ASP 850.A O no hydrogen 2.804 N/A ILE 862.A N ILE 825.A O no hydrogen 2.957 N/A LYS 864.A N GLU 758.A OE1 no hydrogen 2.724 N/A LYS 864.A NZ ASP 865.A OD1 no hydrogen 3.302 N/A LYS 864.A NZ ASP 865.A OD2 no hydrogen 2.983 N/A THR 866.A N GLY 863.A O no hydrogen 3.138 N/A THR 866.A OG1 ASP 850.A OD2 no hydrogen 2.677 N/A THR 866.A OG1 ILE 861.A O no hydrogen 3.129 N/A TRP 867.A N TRP 845.A O no hydrogen 2.680 N/A TRP 871.A N HIS 841.A O no hydrogen 2.755 N/A CYS 877.A N GLU 873.A O no hydrogen 2.930 N/A CYS 877.A SG PRO 872.A O no hydrogen 3.909 N/A CYS 877.A SG GLU 873.A O no hydrogen 3.454 N/A ASP 879.A N CYS 877.A O no hydrogen 2.752 N/A ASN 882.A ND2 CYS 877.A O no hydrogen 3.616 N/A GLN 885.A NE2 GLU 869.A OE2 no hydrogen 3.458 N/A GLN 885.A NE2 HIS 870.A O no hydrogen 2.703 N/A CYS 886.A N ASN 882.A O no hydrogen 3.108 N/A CYS 886.A SG ASN 882.A O no hydrogen 3.361 N/A GLN 887.A N GLN 883.A O no hydrogen 3.255 N/A LEU 889.A N GLN 885.A O no hydrogen 3.091 N/A GLY 890.A N CYS 886.A O no hydrogen 3.325 N/A ALA 891.A N GLN 887.A O no hydrogen 2.645 N/A PHE 892.A N ASP 888.A O no hydrogen 2.749 N/A THR 893.A N LEU 889.A O no hydrogen 2.731 N/A THR 893.A OG1 LEU 889.A O no hydrogen 2.624 N/A GLU 894.A N GLY 890.A O no hydrogen 3.296 N/A SER 895.A N ALA 891.A O no hydrogen 3.460 N/A MET 896.A N PHE 892.A O no hydrogen 3.037 N/A VAL 897.A N THR 893.A O no hydrogen 2.839 N/A VAL 898.A N GLU 894.A O no hydrogen 2.916 N/A PHE 899.A N SER 895.A O no hydrogen 3.000 N/A GLY 900.A N SER 895.A O no hydrogen 3.205 N/A CYS 901.A SG ALA 776.A O no hydrogen 3.926 N/A