Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6cnf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.578 N/A ALA 6.A N ASN 4.A OD1 no hydrogen 2.628 N/A ASP 8.A N ASN 4.A O no hydrogen 2.982 N/A LYS 9.A N ALA 6.A O no hydrogen 3.198 N/A TRP 10.A N GLN 7.A O no hydrogen 3.248 N/A HIS 11.A N ASP 8.A O no hydrogen 2.939 N/A LEU 12.A N LYS 9.A O no hydrogen 2.895 N/A ALA 15.A N HIS 11.A O no hydrogen 3.434 N/A PHE 16.A N LEU 12.A O no hydrogen 2.626 N/A LEU 17.A N LEU 13.A O no hydrogen 2.759 N/A LYS 18.A N PRO 14.A O no hydrogen 2.281 N/A VAL 19.A N ALA 15.A O no hydrogen 3.313 N/A LYS 24.A NZ THR 483.A O no hydrogen 2.532 N/A GLN 25.A N GLN 25.A OE1 no hydrogen 2.517 N/A GLN 25.A NE2 LEU 22.A O no hydrogen 3.045 N/A GLN 25.A NE2 THR 483.A OG1 no hydrogen 3.332 N/A HIS 26.A NE2 ILE 159.A O no hydrogen 2.885 N/A ASP 28.A N LYS 24.A O no hydrogen 2.386 N/A SER 29.A N GLN 25.A O no hydrogen 3.224 N/A SER 29.A OG GLN 25.A O no hydrogen 3.272 N/A PHE 30.A N HIS 26.A O no hydrogen 2.600 N/A ASN 31.A N LEU 27.A O no hydrogen 2.853 N/A TYR 32.A N ASP 28.A O no hydrogen 2.375 N/A PHE 33.A N SER 29.A O no hydrogen 2.875 N/A VAL 34.A N PHE 30.A O no hydrogen 2.856 N/A ASP 35.A N ASN 31.A O no hydrogen 2.830 N/A THR 36.A N TYR 32.A O no hydrogen 3.013 N/A ASP 37.A N PHE 33.A O no hydrogen 3.058 N/A ILE 41.A N ASP 37.A O no hydrogen 2.672 N/A ILE 42.A N LEU 38.A O no hydrogen 2.875 N/A ALA 44.A N LYS 40.A O no hydrogen 2.918 N/A ALA 44.A N ILE 41.A O no hydrogen 2.806 N/A ILE 48.A N LEU 58.A O no hydrogen 3.170 N/A SER 50.A OG LYS 365.A O no hydrogen 3.418 N/A SER 50.A OG ASP 369.A OD1 no hydrogen 2.569 N/A SER 50.A OG ASP 369.A OD2 no hydrogen 3.560 N/A TYR 57.A N THR 101.A OG1 no hydrogen 2.600 N/A LEU 58.A N ILE 48.A O no hydrogen 3.128 N/A LYS 59.A N GLU 99.A O no hydrogen 2.574 N/A TYR 60.A N GLN 46.A O no hydrogen 2.683 N/A VAL 61.A N ASP 97.A O no hydrogen 2.925 N/A ASP 62.A N ASP 97.A O no hydrogen 3.029 N/A ARG 64.A N TYR 95.A O no hydrogen 2.487 N/A ARG 64.A NE LYS 67.A O no hydrogen 2.306 N/A ARG 64.A NH1 ASP 97.A OD2 no hydrogen 3.180 N/A ARG 64.A NH2 LYS 67.A O no hydrogen 3.058 N/A SER 71.A OG THR 73.A O no hydrogen 2.354 N/A LYS 74.A NZ TYR 76.A O no hydrogen 2.204 N/A THR 78.A OG1 PRO 79.A O no hydrogen 3.427 N/A HIS 81.A NE2 LYS 684.A O no hydrogen 3.121 N/A CYS 83.A N PRO 79.A O no hydrogen 2.894 N/A CYS 83.A SG THR 89.A O no hydrogen 3.374 N/A ARG 84.A N PRO 80.A O no hydrogen 2.903 N/A LEU 85.A N GLU 82.A O no hydrogen 3.162 N/A ARG 86.A N GLU 82.A O no hydrogen 3.100 N/A ASP 87.A N CYS 83.A O no hydrogen 2.791 N/A THR 89.A OG1 ASN 399.A OD1 no hydrogen 2.570 N/A TYR 90.A N ILE 151.A O no hydrogen 2.886 N/A SER 91.A OG ALA 92.A O no hydrogen 3.466 N/A ALA 92.A N MET 117.A O no hydrogen 2.800 N/A ILE 94.A N GLY 115.A O no hydrogen 2.596 N/A TYR 95.A N ARG 64.A O no hydrogen 2.672 N/A VAL 96.A N VAL 112.A O no hydrogen 2.653 N/A ASP 97.A N ASP 62.A O no hydrogen 2.729 N/A ILE 98.A N LYS 110.A O no hydrogen 3.364 N/A GLU 99.A N LYS 59.A O no hydrogen 2.647 N/A TYR 100.A N MET 108.A O no hydrogen 2.674 N/A THR 101.A OG1 TYR 57.A O no hydrogen 2.804 N/A MET 108.A N TYR 100.A O no hydrogen 3.181 N/A VAL 112.A N VAL 96.A O no hydrogen 2.519 N/A ARG 116.A N THR 395.A OG1 no hydrogen 2.521 N/A MET 117.A N ALA 92.A O no hydrogen 2.430 N/A LEU 121.A N TYR 149.A O no hydrogen 3.424 N/A SER 123.A N MET 120.A O no hydrogen 3.310 N/A SER 123.A OG MET 120.A O no hydrogen 3.053 N/A ASN 124.A N ASN 31.A OD1 no hydrogen 2.462 N/A CYS 126.A N SER 123.A OG no hydrogen 2.820 N/A TYR 129.A N CYS 126.A O no hydrogen 3.272 N/A SER 134.A N ASP 132.A O no hydrogen 2.236 N/A SER 134.A OG ASP 132.A O no hydrogen 3.052 N/A ALA 137.A N GLU 133.A O no hydrogen 3.079 N/A LYS 138.A N SER 134.A O no hydrogen 2.271 N/A LEU 139.A N LYS 135.A O no hydrogen 2.885 N/A ASN 140.A N ALA 137.A O no hydrogen 2.580 N/A GLU 141.A N MET 136.A O no hydrogen 3.060 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.186 N/A GLY 148.A N LEU 121.A O no hydrogen 3.123 N/A TYR 149.A OH ASP 145.A OD2 no hydrogen 2.424 N/A VAL 152.A N THR 155.A O no hydrogen 2.534 N/A GLY 154.A N MET 88.A O no hydrogen 2.801 N/A GLU 156.A N THR 155.A OG1 no hydrogen 2.676 N/A LYS 157.A NZ SER 403.A O no hydrogen 2.362 N/A GLN 162.A NE2 GLN 441.A OE1 no hydrogen 2.248 N/A GLU 163.A N SER 439.A O no hydrogen 2.815 N/A GLN 164.A N ARG 341.A O no hydrogen 2.729 N/A ASN 168.A N VAL 185.A O no hydrogen 2.337 N/A ARG 169.A NH2 ASP 569.A OD2 no hydrogen 3.500 N/A ILE 171.A N ALA 183.A O no hydrogen 2.922 N/A GLU 173.A N VAL 181.A O no hydrogen 2.881 N/A GLN 182.A N TYR 197.A O no hydrogen 2.879 N/A ALA 183.A N ILE 171.A O no hydrogen 2.861 N/A SER 184.A N LYS 195.A O no hydrogen 3.358 N/A SER 184.A OG TYR 313.A OH no hydrogen 3.390 N/A THR 186.A N LYS 193.A O no hydrogen 3.205 N/A THR 186.A OG1 THR 301.A OG1 no hydrogen 2.876 N/A THR 189.A OG1 SER 188.A O no hydrogen 2.409 N/A LYS 193.A N THR 186.A O no hydrogen 3.246 N/A LYS 193.A NZ ILE 297.A O no hydrogen 2.629 N/A THR 196.A N LYS 208.A O no hydrogen 3.059 N/A THR 196.A OG1 LYS 208.A O no hydrogen 2.365 N/A TYR 197.A N GLN 182.A O no hydrogen 2.891 N/A VAL 198.A N TYR 206.A O no hydrogen 2.899 N/A THR 200.A N LYS 204.A O no hydrogen 3.168 N/A LYS 204.A N LYS 201.A O no hydrogen 3.046 N/A LYS 204.A NZ TYR 206.A OH no hydrogen 3.214 N/A TYR 206.A N VAL 198.A O no hydrogen 2.797 N/A LEU 207.A N ILE 216.A O no hydrogen 2.868 N/A LYS 208.A N THR 196.A O no hydrogen 3.219 N/A SER 211.A OG HIS 209.A ND1 no hydrogen 2.568 N/A ILE 216.A N LEU 207.A O no hydrogen 3.180 N/A ILE 218.A N ILE 205.A O no hydrogen 3.358 N/A VAL 221.A N PRO 217.A O no hydrogen 3.148 N/A LEU 222.A N ILE 218.A O no hydrogen 2.822 N/A LYS 223.A N ALA 219.A O no hydrogen 2.897 N/A ALA 224.A N ILE 220.A O no hydrogen 2.953 N/A CYS 225.A N VAL 221.A O no hydrogen 2.791 N/A CYS 225.A SG VAL 221.A O no hydrogen 3.203 N/A GLY 226.A N LYS 223.A O no hydrogen 2.796 N/A LEU 231.A N SER 229.A OG no hydrogen 3.121 N/A GLU 232.A N SER 229.A OG no hydrogen 3.138 N/A GLN 235.A N LEU 231.A O no hydrogen 2.860 N/A LEU 236.A N ILE 233.A O no hydrogen 3.068 N/A VAL 237.A N ILE 233.A O no hydrogen 3.013 N/A CYS 238.A N MET 234.A O no hydrogen 2.850 N/A GLY 239.A N GLN 235.A O no hydrogen 3.351 N/A GLN 245.A NE2 ASN 240.A O no hydrogen 2.885 N/A PHE 248.A N TYR 244.A O no hydrogen 3.321 N/A ALA 249.A N GLN 245.A O no hydrogen 3.070 N/A GLU 253.A N ALA 249.A O no hydrogen 2.870 N/A GLU 254.A N VAL 250.A O no hydrogen 3.002 N/A SER 255.A N ASN 251.A O no hydrogen 2.405 N/A SER 256.A N LEU 252.A O no hydrogen 3.210 N/A SER 256.A OG LEU 252.A O no hydrogen 3.114 N/A LEU 258.A N SER 255.A O no hydrogen 3.047 N/A THR 262.A OG1 THR 262.A O no hydrogen 2.410 N/A GLN 265.A NE2 ILE 260.A O no hydrogen 2.274 N/A GLU 268.A N GLN 264.A O no hydrogen 2.426 N/A TYR 269.A N GLN 265.A O no hydrogen 2.902 N/A GLY 271.A N LEU 267.A O no hydrogen 3.080 N/A ALA 272.A N GLU 268.A O no hydrogen 2.259 N/A LYS 273.A N TYR 269.A O no hydrogen 3.078 N/A LYS 273.A N ILE 270.A O no hydrogen 2.892 N/A LYS 273.A NZ GLU 214.A O no hydrogen 2.274 N/A VAL 274.A N GLY 271.A O no hydrogen 3.355 N/A LEU 285.A N LEU 282.A O no hydrogen 2.474 N/A GLN 286.A NE2 THR 283.A O no hydrogen 2.584 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 2.519 N/A ALA 291.A N GLY 288.A O no hydrogen 2.633 N/A THR 294.A N GLU 290.A O no hydrogen 2.223 N/A THR 295.A OG1 ILE 292.A O no hydrogen 3.155 N/A THR 301.A OG1 ASN 168.A OD1 no hydrogen 2.755 N/A THR 301.A OG1 THR 186.A OG1 no hydrogen 2.876 N/A VAL 302.A N HIS 299.A O no hydrogen 3.498 N/A ALA 304.A N GLU 303.A OE1 no hydrogen 2.478 N/A ARG 308.A NE ILE 506.A O no hydrogen 3.032 N/A ARG 308.A NH2 ILE 506.A O no hydrogen 3.401 N/A ARG 308.A NH2 SER 511.A OG no hydrogen 2.424 N/A LYS 310.A NZ HIS 299.A O no hydrogen 3.319 N/A LEU 312.A N ARG 308.A O no hydrogen 2.947 N/A TYR 313.A N GLU 309.A O no hydrogen 3.041 N/A TYR 313.A OH SER 184.A OG no hydrogen 3.390 N/A ILE 314.A N LYS 310.A O no hydrogen 2.725 N/A ALA 315.A N ALA 311.A O no hydrogen 3.089 N/A MET 316.A N LEU 312.A O no hydrogen 2.860 N/A MET 317.A N TYR 313.A O no hydrogen 2.968 N/A THR 318.A N ILE 314.A O no hydrogen 2.837 N/A THR 318.A OG1 ILE 314.A O no hydrogen 3.007 N/A ARG 319.A N ALA 315.A O no hydrogen 2.915 N/A ARG 320.A N MET 316.A O no hydrogen 3.372 N/A ARG 320.A N MET 317.A O no hydrogen 3.279 N/A VAL 322.A N THR 318.A O no hydrogen 3.021 N/A MET 323.A N ARG 319.A O no hydrogen 2.833 N/A ALA 324.A N ARG 320.A O no hydrogen 2.778 N/A MET 325.A N VAL 321.A O no hydrogen 2.867 N/A TYR 326.A N VAL 322.A O no hydrogen 2.956 N/A ASN 339.A N TYR 336.A O no hydrogen 2.924 N/A LYS 340.A N VAL 337.A O no hydrogen 2.432 N/A ARG 341.A N GLN 164.A O no hydrogen 2.961 N/A GLU 343.A N GLN 162.A O no hydrogen 3.252 N/A GLN 347.A N GLN 347.A OE1 no hydrogen 2.811 N/A ILE 349.A N ALA 345.A O no hydrogen 3.117 N/A SER 350.A N GLY 346.A O no hydrogen 3.165 N/A SER 350.A OG GLN 347.A O no hydrogen 2.236 N/A LEU 351.A N GLN 347.A O no hydrogen 2.858 N/A LEU 352.A N LEU 348.A O no hydrogen 2.956 N/A PHE 353.A N ILE 349.A O no hydrogen 2.854 N/A GLU 354.A N SER 350.A O no hydrogen 2.837 N/A ASP 355.A N LEU 351.A O no hydrogen 2.890 N/A LEU 356.A N LEU 352.A O no hydrogen 2.949 N/A PHE 357.A N PHE 353.A O no hydrogen 2.831 N/A LYS 358.A N GLU 354.A O no hydrogen 2.830 N/A LYS 359.A N ASP 355.A O no hydrogen 2.906 N/A PHE 360.A N LEU 356.A O no hydrogen 2.808 N/A ASN 361.A N PHE 357.A O no hydrogen 2.925 N/A ASN 362.A N LYS 358.A O no hydrogen 2.907 N/A ASP 363.A N LYS 359.A O no hydrogen 2.900 N/A PHE 364.A N PHE 360.A O no hydrogen 2.805 N/A LYS 365.A N ASN 361.A O no hydrogen 2.960 N/A SER 367.A N ASP 363.A O no hydrogen 2.881 N/A ILE 368.A N PHE 364.A O no hydrogen 2.938 N/A ILE 368.A N LYS 365.A O no hydrogen 3.061 N/A ASP 369.A N LEU 366.A O no hydrogen 2.684 N/A LYS 370.A N LEU 366.A O no hydrogen 3.261 N/A LEU 372.A N ILE 368.A O no hydrogen 2.902 N/A LYS 373.A N LYS 370.A O no hydrogen 3.332 N/A ASN 376.A N LYS 374.A O no hydrogen 2.449 N/A ARG 377.A NH1 GLU 380.A OE2 no hydrogen 3.182 N/A ARG 377.A NH2 GLU 380.A OE2 no hydrogen 3.321 N/A LEU 384.A N ASP 382.A O no hydrogen 2.336 N/A ASN 388.A N LEU 385.A O no hydrogen 2.783 N/A ASN 388.A ND2 LEU 385.A O no hydrogen 2.975 N/A SER 391.A N ASN 388.A O no hydrogen 2.611 N/A SER 391.A OG ASN 388.A O no hydrogen 2.495 N/A ASN 392.A N ILE 114.A O no hydrogen 3.030 N/A ASN 393.A N SER 391.A O no hydrogen 2.501 N/A ASN 393.A ND2 HIS 390.A O no hydrogen 2.681 N/A THR 395.A OG1 ARG 116.A O no hydrogen 2.673 N/A SER 396.A N ASN 392.A O no hydrogen 2.479 N/A GLY 397.A N ASN 393.A O no hydrogen 2.825 N/A LEU 398.A N ILE 394.A O no hydrogen 2.604 N/A ASN 399.A N THR 395.A O no hydrogen 2.656 N/A ARG 400.A N SER 396.A O no hydrogen 2.934 N/A ALA 401.A N GLY 397.A O no hydrogen 3.190 N/A ILE 402.A N LEU 398.A O no hydrogen 2.866 N/A SER 403.A N ASN 399.A O no hydrogen 2.954 N/A SER 403.A OG ASN 399.A O no hydrogen 3.483 N/A THR 404.A N ARG 400.A O no hydrogen 2.886 N/A THR 404.A OG1 ARG 400.A O no hydrogen 2.276 N/A GLY 405.A N ALA 401.A O no hydrogen 2.861 N/A TRP 407.A N ARG 416.A O no hydrogen 2.954 N/A MET 414.A N LEU 409.A O no hydrogen 3.163 N/A VAL 419.A N GLY 405.A O no hydrogen 3.518 N/A SER 424.A OG SER 430.A OG no hydrogen 2.652 N/A ARG 425.A NH2 TYR 149.A OH no hydrogen 3.145 N/A SER 427.A OG LYS 672.A O no hydrogen 2.452 N/A SER 430.A OG SER 424.A O no hydrogen 3.304 N/A SER 430.A OG SER 424.A OG no hydrogen 2.652 N/A ALA 431.A N TYR 428.A O no hydrogen 2.803 N/A MET 434.A N SER 430.A O no hydrogen 2.427 N/A MET 435.A N ALA 431.A O no hydrogen 3.427 N/A THR 436.A OG1 LEU 432.A O no hydrogen 3.373 N/A SER 439.A N VAL 161.A O no hydrogen 3.258 N/A SER 440.A N LEU 475.A O no hydrogen 2.745 N/A SER 440.A OG GLU 443.A OE1 no hydrogen 3.147 N/A SER 440.A OG GLU 443.A OE2 no hydrogen 2.926 N/A ARG 452.A N GLY 450.A O no hydrogen 2.741 N/A GLN 455.A N GLN 455.A OE1 no hydrogen 2.444 N/A GLN 458.A N GLN 455.A O no hydrogen 3.240 N/A GLN 458.A NE2 CYS 463.A O no hydrogen 3.120 N/A PHE 459.A N PRO 456.A O no hydrogen 2.783 N/A MET 461.A N GLN 458.A O no hydrogen 3.301 N/A LEU 462.A N GLN 458.A O no hydrogen 3.401 N/A CYS 463.A N ASN 478.A O no hydrogen 2.277 N/A LYS 477.A N ILE 438.A O no hydrogen 2.905 N/A LEU 479.A N THR 436.A O no hydrogen 3.393 N/A LEU 481.A N THR 644.A O no hydrogen 3.355 N/A HIS 484.A N CYS 574.A O no hydrogen 3.155 N/A THR 486.A N ARG 572.A O no hydrogen 2.905 N/A THR 486.A OG1 ARG 572.A O no hydrogen 3.191 N/A THR 487.A OG1 GLU 551.A OE1 no hydrogen 3.254 N/A ASP 489.A N THR 568.A OG1 no hydrogen 3.139 N/A GLU 490.A N THR 568.A OG1 no hydrogen 3.328 N/A LYS 495.A N GLU 491.A O no hydrogen 2.926 N/A LYS 495.A NZ TYR 499.A OH no hydrogen 3.021 N/A LYS 496.A N GLU 492.A O no hydrogen 2.848 N/A LEU 497.A N PRO 493.A O no hydrogen 2.896 N/A CYS 498.A N ILE 494.A O no hydrogen 2.861 N/A TYR 499.A N LYS 495.A O no hydrogen 2.958 N/A VAL 500.A N LYS 496.A O no hydrogen 2.825 N/A LEU 501.A N LEU 497.A O no hydrogen 2.932 N/A GLY 502.A N TYR 499.A O no hydrogen 2.675 N/A THR 507.A OG1 ASP 505.A OD2 no hydrogen 3.089 N/A LEU 508.A N ASP 505.A O no hydrogen 2.644 N/A ILE 509.A N ILE 506.A O no hydrogen 3.192 N/A ASN 517.A ND2 ILE 530.A O no hydrogen 2.442 N/A TYR 521.A N VAL 564.A O no hydrogen 3.235 N/A LEU 522.A N THR 525.A O no hydrogen 2.626 N/A THR 525.A OG1 LEU 522.A O no hydrogen 2.833 N/A ILE 527.A N VAL 520.A O no hydrogen 3.120 N/A SER 529.A OG LEU 516.A O no hydrogen 3.543 N/A VAL 537.A N PRO 533.A O no hydrogen 3.186 N/A THR 538.A N THR 534.A O no hydrogen 2.891 N/A THR 538.A OG1 THR 534.A O no hydrogen 3.244 N/A GLN 539.A N LYS 535.A O no hydrogen 2.885 N/A PHE 540.A N PHE 536.A O no hydrogen 3.213 N/A ARG 541.A N VAL 537.A O no hydrogen 3.070 N/A HIS 542.A N THR 538.A O no hydrogen 2.900 N/A LEU 543.A N GLN 539.A O no hydrogen 2.942 N/A ARG 544.A N PHE 540.A O no hydrogen 2.734 N/A ARG 544.A NH2 GLU 612.A OE2 no hydrogen 3.509 N/A ARG 545.A N ARG 541.A O no hydrogen 2.757 N/A THR 546.A N LEU 543.A O no hydrogen 2.999 N/A THR 546.A OG1 HIS 542.A O no hydrogen 2.990 N/A GLY 547.A N LEU 543.A O no hydrogen 2.720 N/A LYS 548.A N LEU 543.A O no hydrogen 3.206 N/A SER 554.A OG ILE 555.A O no hydrogen 3.163 N/A TYR 556.A N HIS 565.A O no hydrogen 3.463 N/A SER 557.A N ASP 621.A OD2 no hydrogen 3.179 N/A ASN 558.A N ALA 563.A O no hydrogen 3.163 N/A ALA 563.A N ASN 558.A O no hydrogen 3.396 N/A VAL 564.A N GLY 519.A O no hydrogen 2.267 N/A HIS 565.A N TYR 556.A O no hydrogen 3.140 N/A ILE 566.A N TYR 521.A O no hydrogen 2.743 N/A THR 568.A OG1 GLU 490.A O no hydrogen 3.446 N/A THR 568.A OG1 THR 568.A O no hydrogen 2.236 N/A GLY 571.A N THR 486.A O no hydrogen 2.344 N/A ARG 572.A NE ASP 615.A OD2 no hydrogen 2.930 N/A ARG 572.A NH2 ASP 615.A OD2 no hydrogen 2.386 N/A CYS 574.A SG THR 486.A OG1 no hydrogen 2.565 N/A CYS 574.A SG ARG 572.A O no hydrogen 3.496 N/A ARG 575.A NH1 PHE 459.A O no hydrogen 2.836 N/A ILE 578.A N LEU 638.A O no hydrogen 2.331 N/A VAL 580.A N THR 636.A O no hydrogen 2.522 N/A GLN 584.A N SER 581.A O no hydrogen 3.295 N/A ARG 586.A N ILE 579.A O no hydrogen 2.945 N/A ARG 586.A NE SER 581.A OG no hydrogen 3.109 N/A ARG 586.A NH2 SER 581.A OG no hydrogen 2.732 N/A ILE 590.A N LYS 588.A O no hydrogen 2.368 N/A LYS 594.A N ILE 590.A O no hydrogen 3.505 N/A LEU 595.A N LEU 592.A O no hydrogen 2.799 N/A LEU 596.A N LEU 592.A O no hydrogen 2.687 N/A ASP 597.A N ARG 593.A O no hydrogen 3.044 N/A GLY 598.A N LEU 595.A O no hydrogen 3.015 N/A LYS 607.A N ASP 603.A O no hydrogen 3.242 N/A LEU 608.A N ASP 604.A O no hydrogen 2.367 N/A GLY 609.A N LEU 606.A O no hydrogen 2.769 N/A LEU 610.A N PHE 605.A O no hydrogen 2.361 N/A LEU 614.A N ARG 575.A O no hydrogen 2.935 N/A GLU 619.A N ASP 615.A O no hydrogen 2.595 N/A ASN 620.A N VAL 616.A O no hydrogen 2.623 N/A ASP 621.A N ASN 617.A O no hydrogen 2.995 N/A ASP 621.A N GLU 618.A O no hydrogen 2.708 N/A SER 622.A N GLU 618.A O no hydrogen 2.890 N/A SER 622.A OG THR 636.A OG1 no hydrogen 2.317 N/A SER 622.A OG HIS 637.A ND1 no hydrogen 2.863 N/A TYR 623.A N THR 636.A OG1 no hydrogen 2.918 N/A ALA 625.A N HIS 637.A O no hydrogen 2.362 N/A ASP 630.A N TYR 627.A O no hydrogen 2.780 N/A MET 635.A N VAL 632.A O no hydrogen 2.904 N/A THR 636.A N TYR 623.A O no hydrogen 2.984 N/A THR 636.A OG1 SER 622.A OG no hydrogen 2.317 N/A THR 636.A OG1 TYR 623.A O no hydrogen 2.238 N/A THR 636.A OG1 HIS 637.A ND1 no hydrogen 2.928 N/A HIS 637.A N TYR 623.A O no hydrogen 3.337 N/A HIS 637.A ND1 SER 622.A OG no hydrogen 2.863 N/A HIS 637.A ND1 THR 636.A OG1 no hydrogen 2.928 N/A LEU 638.A N ILE 578.A O no hydrogen 2.491 N/A ILE 645.A N PRO 642.A O no hydrogen 2.629 N/A GLY 651.A N GLY 647.A O no hydrogen 2.894 N/A LEU 652.A N VAL 649.A O no hydrogen 3.080 N/A ILE 653.A N ALA 650.A O no hydrogen 3.277 N/A TYR 655.A OH SER 947.A O no hydrogen 2.391 N/A HIS 658.A N TYR 655.A O no hydrogen 2.871 N/A ASN 659.A N PRO 656.A O no hydrogen 2.708 N/A ASN 659.A ND2 ASN 664.A OD1 no hydrogen 3.526 N/A ARG 663.A N GLN 660.A O no hydrogen 2.998 N/A ASN 664.A ND2 GLN 660.A O no hydrogen 3.666 N/A ASN 664.A ND2 SER 661.A O no hydrogen 3.658 N/A THR 665.A N SER 661.A O no hydrogen 2.922 N/A THR 665.A OG1 ALA 465.A O no hydrogen 3.047 N/A THR 665.A OG1 SER 661.A O no hydrogen 3.545 N/A TYR 666.A N PRO 662.A O no hydrogen 2.906 N/A GLN 667.A N ARG 663.A O no hydrogen 2.884 N/A CYS 668.A N ASN 664.A O no hydrogen 2.790 N/A CYS 668.A SG ASN 664.A O no hydrogen 3.581 N/A ALA 669.A N THR 665.A O no hydrogen 2.960 N/A MET 670.A N TYR 666.A O no hydrogen 2.882 N/A GLY 671.A N GLN 667.A O no hydrogen 2.859 N/A LYS 672.A N CYS 668.A O no hydrogen 3.481 N/A ALA 674.A N GLY 671.A O no hydrogen 2.767 N/A LYS 684.A N ASN 681.A O no hydrogen 2.760 N/A ARG 685.A N GLN 682.A O no hydrogen 3.051 N/A THR 688.A N ASP 687.A OD1 no hydrogen 2.406 N/A LEU 690.A N ARG 753.A O no hydrogen 2.896 N/A TYR 691.A OH ASP 998.A OD2 no hydrogen 2.773 N/A THR 694.A N ARG 749.A O no hydrogen 2.600 N/A THR 694.A OG1 ARG 749.A O no hydrogen 2.666 N/A GLN 698.A NE2 ASP 712.A O no hydrogen 3.466 N/A LYS 702.A N GLU 939.A O no hydrogen 2.772 N/A THR 703.A OG1 GLY 941.A O no hydrogen 2.838 N/A THR 705.A OG1 GLY 651.A O no hydrogen 2.732 N/A THR 705.A OG1 THR 703.A O no hydrogen 3.251 N/A GLU 707.A N THR 703.A O no hydrogen 3.420 N/A LEU 708.A N LYS 704.A O no hydrogen 3.212 N/A LEU 708.A N THR 705.A O no hydrogen 2.645 N/A ILE 709.A N THR 705.A O no hydrogen 3.454 N/A TYR 711.A N ILE 706.A O no hydrogen 3.172 N/A LYS 713.A N ASP 710.A O no hydrogen 2.671 N/A LEU 714.A N TYR 711.A O no hydrogen 2.941 N/A ALA 716.A N TYR 711.A OH no hydrogen 3.249 N/A GLN 718.A N TYR 989.A O no hydrogen 2.880 N/A ASN 719.A N GLN 697.A OE1 no hydrogen 2.659 N/A ALA 720.A N ILE 987.A O no hydrogen 2.733 N/A THR 721.A OG1 GLY 985.A O no hydrogen 3.345 N/A VAL 722.A N GLY 985.A O no hydrogen 2.902 N/A VAL 724.A N PHE 983.A O no hydrogen 3.154 N/A MET 725.A N MET 909.A O no hydrogen 2.552 N/A SER 726.A OG ASN 910.A OD1 no hydrogen 3.171 N/A ASP 731.A N SER 728.A O no hydrogen 2.609 N/A ASN 739.A ND2 GLN 893.A OE1 no hydrogen 3.531 N/A LYS 740.A N VAL 891.A O no hydrogen 3.161 N/A SER 741.A N ASP 744.A OD2 no hydrogen 3.399 N/A SER 742.A OG ASP 906.A OD1 no hydrogen 2.599 N/A ILE 743.A N ASN 739.A O no hydrogen 3.143 N/A GLY 746.A N ILE 743.A O no hydrogen 3.349 N/A PHE 747.A N SER 742.A O no hydrogen 2.905 N/A THR 752.A N GLN 867.A O no hydrogen 2.951 N/A ARG 753.A N LEU 690.A O no hydrogen 3.291 N/A ARG 753.A NH1 ASP 847.A OD2 no hydrogen 3.162 N/A ARG 754.A N LEU 865.A O no hydrogen 2.841 N/A THR 756.A N VAL 863.A O no hydrogen 2.939 N/A THR 756.A OG1 TYR 807.A OH no hydrogen 2.980 N/A THR 757.A OG1 ILE 861.A O no hydrogen 3.337 N/A THR 758.A N ILE 861.A O no hydrogen 2.914 N/A THR 758.A OG1 ILE 861.A O no hydrogen 3.547 N/A LYS 761.A N ASP 769.A OD2 no hydrogen 2.834 N/A LYS 761.A NZ TYR 763.A OH no hydrogen 2.964 N/A ASN 765.A ND2 SER 816.A O no hydrogen 2.449 N/A ASN 765.A ND2 ASP 818.A O no hydrogen 2.643 N/A HIS 766.A N TYR 763.A O no hydrogen 2.279 N/A THR 767.A OG1 GLN 828.A OE1 no hydrogen 2.916 N/A ILE 770.A N SER 811.A O no hydrogen 2.401 N/A ARG 775.A N HIS 786.A NE2 no hydrogen 2.941 N/A GLN 787.A N TRP 784.A O no hydrogen 2.713 N/A SER 788.A OG SER 788.A O no hydrogen 2.341 N/A SER 788.A OG ILE 806.A O no hydrogen 2.377 N/A GLY 793.A N GLY 790.A O no hydrogen 3.000 N/A VAL 801.A N SER 844.A O no hydrogen 3.105 N/A GLN 802.A N GLN 805.A OE1 no hydrogen 2.801 N/A SER 803.A OG TYR 838.A O no hydrogen 3.465 N/A SER 803.A OG GLY 840.A O no hydrogen 2.824 N/A GLY 804.A N TYR 838.A O no hydrogen 3.139 N/A TYR 807.A OH THR 756.A OG1 no hydrogen 2.980 N/A SER 811.A N ILE 770.A O no hydrogen 2.453 N/A THR 814.A N GLN 830.A O no hydrogen 2.300 N/A SER 816.A N PRO 813.A O no hydrogen 3.060 N/A SER 816.A OG PRO 813.A O no hydrogen 2.707 N/A ASP 818.A N ASN 815.A O no hydrogen 2.961 N/A ASN 823.A N ASN 821.A O no hydrogen 2.575 N/A VAL 827.A N ASN 826.A OD1 no hydrogen 2.578 N/A GLN 830.A N THR 829.A OG1 no hydrogen 2.270 N/A GLU 833.A N GLU 833.A OE1 no hydrogen 2.447 N/A ALA 834.A N LYS 810.A O no hydrogen 2.850 N/A TYR 838.A OH GLU 842.A O no hydrogen 2.231 N/A HIS 845.A N ARG 866.A O no hydrogen 2.362 N/A MET 850.A N LYS 862.A O no hydrogen 2.624 N/A SER 852.A N LEU 860.A O no hydrogen 2.890 N/A SER 852.A OG MET 851.A O no hydrogen 2.545 N/A ASN 856.A ND2 GLN 858.A OE1 no hydrogen 2.513 N/A LEU 860.A N SER 852.A O no hydrogen 2.849 N/A ILE 861.A N THR 758.A O no hydrogen 3.385 N/A LYS 862.A N MET 850.A O no hydrogen 2.758 N/A LYS 862.A NZ ASP 87.A OD1 no hydrogen 2.685 N/A LYS 862.A NZ ASP 87.A OD2 no hydrogen 2.897 N/A VAL 863.A N THR 756.A O no hydrogen 3.376 N/A LEU 864.A N GLN 848.A O no hydrogen 3.168 N/A LEU 865.A N ARG 754.A O no hydrogen 2.867 N/A ARG 866.A N HIS 845.A O no hydrogen 2.677 N/A GLN 867.A N THR 752.A O no hydrogen 3.011 N/A ARG 869.A N CYS 750.A O no hydrogen 3.014 N/A ARG 869.A NH2 ASP 998.A OD1 no hydrogen 2.330 N/A GLY 874.A N CYS 887.A O no hydrogen 3.118 N/A PHE 877.A N GLY 885.A O no hydrogen 2.507 N/A SER 878.A N GLN 990.A O no hydrogen 3.190 N/A SER 879.A N GLN 883.A O no hydrogen 2.853 N/A ARG 880.A N SER 878.A OG no hydrogen 2.961 N/A ARG 880.A NH1 GLU 925.A OE2 no hydrogen 2.382 N/A HIS 881.A NE2 ASN 659.A OD1 no hydrogen 2.299 N/A GLY 885.A N PHE 877.A O no hydrogen 3.301 N/A CYS 887.A N ASP 875.A O no hydrogen 2.884 N/A CYS 887.A SG GLU 872.A O no hydrogen 3.036 N/A CYS 887.A SG ASP 875.A O no hydrogen 3.742 N/A GLY 888.A N LEU 736.A O no hydrogen 2.216 N/A VAL 891.A N LEU 738.A O no hydrogen 3.292 N/A MET 896.A N TYR 727.A OH no hydrogen 3.334 N/A GLY 902.A N ASN 899.A O no hydrogen 3.216 N/A ASP 906.A N THR 721.A O no hydrogen 2.683 N/A ILE 908.A N VAL 737.A O no hydrogen 2.902 N/A MET 909.A N ALA 723.A O no hydrogen 3.321 N/A PHE 914.A N PRO 911.A O no hydrogen 2.863 N/A ARG 917.A N GLY 913.A O no hydrogen 3.094 N/A THR 919.A OG1 ASN 659.A OD1 no hydrogen 2.221 N/A THR 919.A OG1 HIS 881.A NE2 no hydrogen 2.634 N/A VAL 920.A N HIS 658.A O no hydrogen 3.397 N/A LYS 922.A NZ SER 879.A OG no hydrogen 2.215 N/A LYS 922.A NZ TYR 989.A OH no hydrogen 3.230 N/A ILE 924.A N VAL 920.A O no hydrogen 2.906 N/A GLU 925.A N GLY 921.A O no hydrogen 2.842 N/A LEU 926.A N LYS 922.A O no hydrogen 2.906 N/A SER 928.A N ILE 924.A O no hydrogen 2.956 N/A GLY 929.A N GLU 925.A O no hydrogen 2.847 N/A LYS 930.A N LEU 926.A O no hydrogen 2.941 N/A LYS 930.A NZ PHE 984.A O no hydrogen 2.631 N/A ALA 931.A N ILE 927.A O no hydrogen 2.884 N/A GLY 932.A N SER 928.A O no hydrogen 2.888 N/A VAL 933.A N GLY 929.A O no hydrogen 3.404 N/A ASN 935.A N ALA 931.A O no hydrogen 2.950 N/A GLY 936.A N VAL 933.A O no hydrogen 2.837 N/A THR 937.A N GLY 932.A O no hydrogen 2.681 N/A THR 937.A OG1 LEU 938.A O no hydrogen 3.363 N/A THR 937.A OG1 GLU 939.A OE2 no hydrogen 2.469 N/A GLU 939.A N MET 700.A O no hydrogen 2.761 N/A GLY 941.A N LYS 702.A O no hydrogen 2.623 N/A THR 942.A N GLY 945.A O no hydrogen 3.131 N/A GLY 945.A N THR 942.A O no hydrogen 2.566 N/A SER 947.A N TYR 940.A O no hydrogen 2.924 N/A SER 947.A OG GLU 939.A OE1 no hydrogen 3.570 N/A MET 952.A N LEU 949.A O no hydrogen 2.859 N/A SER 953.A N GLU 950.A O no hydrogen 2.900 N/A SER 953.A OG GLU 950.A O no hydrogen 2.424 N/A LYS 954.A N SER 953.A OG no hydrogen 2.659 N/A ILE 955.A N ASP 951.A O no hydrogen 3.116 N/A LEU 956.A N MET 952.A O no hydrogen 2.479 N/A VAL 957.A N SER 953.A O no hydrogen 2.749 N/A ASP 958.A N LYS 954.A O no hydrogen 3.251 N/A GLN 959.A N LEU 956.A O no hydrogen 2.994 N/A GLY 960.A N LEU 956.A O no hydrogen 2.933 N/A GLY 960.A N VAL 957.A O no hydrogen 2.676 N/A PHE 961.A N LEU 956.A O no hydrogen 3.298 N/A SER 964.A N ASN 962.A OD1 no hydrogen 2.772 N/A SER 964.A OG ASN 962.A OD1 no hydrogen 3.299 N/A GLY 965.A N ASN 962.A O no hydrogen 2.647 N/A LYS 966.A NZ TYR 981.A O no hydrogen 3.001 N/A ASP 967.A N ILE 982.A O no hydrogen 2.655 N/A SER 971.A N GLU 976.A O no hydrogen 2.981 N/A THR 974.A N SER 971.A OG no hydrogen 2.498 N/A GLY 975.A N SER 971.A O no hydrogen 3.184 N/A LEU 978.A N LEU 969.A O no hydrogen 3.077 N/A ILE 982.A N ASP 967.A O no hydrogen 2.825 N/A GLY 985.A N VAL 722.A O no hydrogen 2.918 N/A ILE 987.A N ALA 720.A O no hydrogen 3.021 N/A TYR 988.A OH GLN 697.A O no hydrogen 3.160 N/A TYR 989.A N GLN 718.A O no hydrogen 2.784 N/A GLN 990.A N SER 878.A O no hydrogen 3.158 N/A LYS 993.A N GLN 673.A O no hydrogen 3.302 N/A VAL 996.A N ASP 875.A OD1 no hydrogen 3.254 N/A LYS 999.A N MET 995.A O no hydrogen 3.254 N/A LYS 999.A NZ HIS 994.A ND1 no hydrogen 2.938 N/A MET 1000.A N VAL 996.A O no hydrogen 2.701 N/A ARG 1003.A NH2 PRO 1007.A O no hydrogen 3.433 N/A ALA 1009.A N GLN 1014.A O no hydrogen 2.866 N/A ARG 1013.A N ALA 1009.A O no hydrogen 2.470 N/A ARG 1013.A NH2 TYR 1088.A OH no hydrogen 3.454 N/A THR 1016.A OG1 ASP 1022.A O no hydrogen 2.917 N/A THR 1016.A OG1 GLY 1023.A O no hydrogen 3.185 N/A SER 1020.A OG ARG 1019.A O no hydrogen 2.344 N/A ARG 1021.A N SER 1020.A OG no hydrogen 2.511 N/A GLY 1023.A N ASP 1022.A OD1 no hydrogen 2.439 N/A ARG 1032.A N GLY 1028.A O no hydrogen 2.270 N/A ASP 1033.A N GLU 1029.A O no hydrogen 2.851 N/A VAL 1035.A N ARG 1032.A O no hydrogen 2.668 N/A ILE 1036.A N ASP 1033.A O no hydrogen 2.687 N/A TYR 1038.A N VAL 1035.A O no hydrogen 3.053 N/A GLY 1039.A N ILE 1036.A O no hydrogen 2.554 N/A GLN 1042.A NE2 SER 1041.A OG no hydrogen 3.348 N/A GLU 1046.A N GLN 1042.A O no hydrogen 2.853 N/A ARG 1047.A N LEU 1043.A O no hydrogen 2.919 N/A LEU 1048.A N LEU 1044.A O no hydrogen 2.315 N/A MET 1049.A N LEU 1045.A O no hydrogen 2.581 N/A ILE 1050.A N LEU 1045.A O no hydrogen 2.764 N/A SER 1051.A N GLU 1046.A O no hydrogen 2.857 N/A SER 1051.A OG GLU 1046.A O no hydrogen 3.031 N/A SER 1051.A OG GLU 1046.A OE2 no hydrogen 2.926 N/A SER 1052.A N MET 1049.A O no hydrogen 2.899 N/A SER 1052.A OG ARG 1047.A O no hydrogen 2.337 N/A VAL 1059.A N ILE 1082.A O no hydrogen 3.133 N/A CYS 1060.A SG LYS 1062.A O no hydrogen 3.032 N/A CYS 1063.A SG LYS 1062.A O no hydrogen 2.957 N/A GLY 1067.A N ASP 1058.A O no hydrogen 2.692 N/A TYR 1068.A N TRP 1071.A O no hydrogen 3.300 N/A SER 1069.A OG TYR 1068.A O no hydrogen 2.442 N/A TRP 1071.A N TYR 1068.A O no hydrogen 3.034 N/A CYS 1075.A SG CYS 1075.A O no hydrogen 2.950 N/A GLU 1079.A N SER 1077.A OG no hydrogen 3.135 N/A ILE 1082.A N VAL 1059.A O no hydrogen 2.883 N/A MET 1084.A N VAL 1057.A O no hydrogen 3.199 N/A THR 1085.A OG1 PHE 1055.A O no hydrogen 2.621 N/A ILE 1086.A N PHE 1055.A O no hydrogen 2.913 N/A ALA 1089.A N ASP 1053.A OD2 no hydrogen 2.487 N/A ALA 1090.A N PRO 1087.A O no hydrogen 2.785 N/A LYS 1091.A N PRO 1087.A O no hydrogen 3.421 N/A LYS 1091.A NZ GLN 1095.A OE1 no hydrogen 3.292 N/A LEU 1092.A N TYR 1088.A O no hydrogen 2.880 N/A LEU 1093.A N ALA 1089.A O no hydrogen 2.897 N/A PHE 1094.A N ALA 1090.A O no hydrogen 2.861 N/A GLN 1095.A N LYS 1091.A O no hydrogen 2.895 N/A GLU 1096.A N LEU 1092.A O no hydrogen 2.868 N/A LEU 1097.A N LEU 1093.A O no hydrogen 2.847 N/A LEU 1098.A N PHE 1094.A O no hydrogen 2.742 N/A SER 1099.A N GLN 1095.A O no hydrogen 2.496 N/A