Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_UU.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PHE 5.A O no hydrogen 3.537 N/A ILE 4.A N SER 2.A OG no hydrogen 2.877 N/A PHE 5.A N SER 2.A OG no hydrogen 2.913 N/A TYR 8.A N ILE 701.A O no hydrogen 2.903 N/A ARG 9.A N ILE 701.A O no hydrogen 3.067 N/A ILE 14.A N ASN 329.A OD1 no hydrogen 2.389 N/A SER 15.A N ASN 329.A OD1 no hydrogen 3.003 N/A SER 15.A OG SER 325.A OG no hydrogen 2.992 N/A SER 15.A OG GLY 326.A O no hydrogen 3.248 N/A THR 17.A OG1 SER 36.A OG no hydrogen 3.187 N/A THR 22.A N THR 34.A O no hydrogen 2.880 N/A ILE 24.A N GLN 32.A O no hydrogen 3.012 N/A LEU 26.A N THR 30.A O no hydrogen 2.910 N/A THR 29.A N LEU 26.A O no hydrogen 3.301 N/A THR 29.A OG1 THR 30.A OG1 no hydrogen 2.469 N/A THR 30.A N LEU 26.A O no hydrogen 2.963 N/A THR 30.A OG1 THR 29.A OG1 no hydrogen 2.469 N/A GLN 32.A N ILE 24.A O no hydrogen 2.960 N/A ILE 33.A N TYR 44.A O no hydrogen 2.917 N/A THR 34.A N THR 22.A O no hydrogen 2.735 N/A THR 35.A N GLN 42.A O no hydrogen 2.956 N/A THR 35.A OG1 ILE 14.A O no hydrogen 2.707 N/A SER 36.A OG THR 17.A OG1 no hydrogen 3.187 N/A VAL 37.A N ALA 40.A O no hydrogen 2.878 N/A GLN 42.A N THR 35.A O no hydrogen 2.885 N/A THR 43.A N PHE 54.A O no hydrogen 2.852 N/A TYR 44.A N ILE 33.A O no hydrogen 2.775 N/A LEU 46.A N PHE 31.A O no hydrogen 2.984 N/A GLY 49.A N LYS 47.A O no hydrogen 2.655 N/A VAL 53.A N THR 43.A O no hydrogen 2.712 N/A PHE 54.A N THR 43.A O no hydrogen 2.936 N/A THR 56.A OG1 LEU 41.A O no hydrogen 2.394 N/A ARG 57.A N GLY 95.A O no hydrogen 2.486 N/A THR 60.A N ARG 39.A O no hydrogen 3.191 N/A SER 62.A OG ASP 63.A O no hydrogen 2.256 N/A THR 65.A OG1 ILE 111.A O no hydrogen 2.797 N/A ALA 66.A N ALA 77.A O no hydrogen 2.866 N/A THR 67.A OG1 TYR 75.A O no hydrogen 3.424 N/A HIS 68.A N TYR 75.A O no hydrogen 2.940 N/A TRP 70.A N ARG 73.A O no hydrogen 2.917 N/A VAL 74.A N PHE 92.A O no hydrogen 2.915 N/A TYR 75.A N HIS 68.A O no hydrogen 2.895 N/A ALA 76.A N TRP 90.A O no hydrogen 2.886 N/A ALA 77.A N ALA 66.A O no hydrogen 2.808 N/A PHE 78.A N GLY 88.A O no hydrogen 2.843 N/A GLY 79.A N ASP 63.A O no hydrogen 3.124 N/A GLU 85.A N ASN 83.A O no hydrogen 2.474 N/A GLY 88.A N PHE 78.A O no hydrogen 2.903 N/A TRP 90.A N ALA 76.A O no hydrogen 2.845 N/A VAL 91.A N ALA 99.A O no hydrogen 2.810 N/A PHE 92.A N VAL 74.A O no hydrogen 2.934 N/A GLN 93.A N LYS 96.A O no hydrogen 2.925 N/A LYS 97.A NZ GLU 100.A OE2 no hydrogen 2.653 N/A VAL 98.A N VAL 91.A O no hydrogen 2.574 N/A ALA 99.A N VAL 91.A O no hydrogen 2.958 N/A ASP 106.A N ASP 106.A OD1 no hydrogen 2.372 N/A LYS 112.A N CYS 124.A O no hydrogen 2.677 N/A GLN 113.A N CYS 124.A O no hydrogen 2.996 N/A LEU 115.A N VAL 122.A O no hydrogen 2.888 N/A PHE 117.A N TRP 120.A O no hydrogen 2.911 N/A TRP 120.A N PHE 117.A O no hydrogen 2.585 N/A ILE 121.A N TRP 132.A O no hydrogen 2.963 N/A VAL 122.A N LEU 115.A O no hydrogen 2.788 N/A ALA 123.A N GLU 130.A O no hydrogen 2.928 N/A CYS 124.A N GLN 113.A O no hydrogen 2.902 N/A CYS 124.A SG GLN 113.A O no hydrogen 3.752 N/A ALA 125.A N ARG 128.A O no hydrogen 3.394 N/A LEU 126.A N GLN 109.A OE1 no hydrogen 2.917 N/A THR 127.A N GLN 109.A OE1 no hydrogen 2.798 N/A ARG 128.A NH1 ASP 106.A O no hydrogen 2.241 N/A ARG 128.A NH2 ASP 106.A OD1 no hydrogen 2.653 N/A ILE 129.A N ILE 143.A O no hydrogen 3.120 N/A GLU 130.A N ALA 123.A O no hydrogen 2.995 N/A VAL 131.A N THR 141.A O no hydrogen 3.086 N/A TRP 132.A N ILE 121.A O no hydrogen 2.961 N/A TRP 132.A NE1 PRO 102.A O no hydrogen 2.777 N/A LYS 133.A N GLU 138.A O no hydrogen 2.849 N/A ALA 134.A N GLY 119.A O no hydrogen 3.078 N/A GLU 138.A N LYS 133.A O no hydrogen 2.924 N/A TYR 140.A N VAL 131.A O no hydrogen 2.902 N/A THR 141.A OG1 THR 142.A O no hydrogen 3.482 N/A THR 142.A N THR 141.A OG1 no hydrogen 2.414 N/A THR 142.A OG1 HIS 139.A NE2 no hydrogen 2.896 N/A ILE 143.A N ILE 129.A O no hydrogen 2.476 N/A ASN 153.A N LYS 149.A O no hydrogen 2.897 N/A ASN 153.A ND2 PRO 145.A O no hydrogen 3.007 N/A GLU 154.A N GLY 151.A O no hydrogen 3.036 N/A LEU 155.A N LEU 126.A O no hydrogen 3.040 N/A THR 156.A N GLU 154.A O no hydrogen 2.943 N/A THR 156.A OG1 ARG 173.A O no hydrogen 3.325 N/A ILE 160.A N PHE 170.A O no hydrogen 3.056 N/A ASN 161.A ND2 LYS 168.A O no hydrogen 3.545 N/A THR 164.A OG1 THR 164.A O no hydrogen 2.531 N/A PHE 165.A N MET 162.A O no hydrogen 3.292 N/A ILE 169.A N TRP 181.A O no hydrogen 2.927 N/A PHE 170.A N ILE 160.A O no hydrogen 3.415 N/A VAL 171.A N GLU 179.A O no hydrogen 3.048 N/A GLY 172.A N GLY 158.A O no hydrogen 3.019 N/A ARG 173.A N TRP 177.A O no hydrogen 2.935 N/A ARG 173.A NH1 ALA 146.A O no hydrogen 2.927 N/A ARG 173.A NH2 ALA 146.A O no hydrogen 3.167 N/A LYS 174.A N GLU 154.A O no hydrogen 2.771 N/A VAL 178.A N LEU 192.A O no hydrogen 3.069 N/A GLU 179.A N VAL 171.A O no hydrogen 2.864 N/A ILE 180.A N TYR 190.A O no hydrogen 2.787 N/A TRP 181.A N ILE 169.A O no hydrogen 3.012 N/A ASN 182.A ND2 SER 184.A OG no hydrogen 3.088 N/A VAL 183.A N ASN 167.A O no hydrogen 2.883 N/A SER 184.A N ASN 182.A OD1 no hydrogen 3.090 N/A SER 184.A OG ASN 182.A OD1 no hydrogen 3.180 N/A THR 185.A OG1 THR 185.A O no hydrogen 2.457 N/A LYS 187.A N ASN 182.A O no hydrogen 2.917 N/A ILE 189.A N ILE 180.A O no hydrogen 2.887 N/A TYR 190.A N ILE 180.A O no hydrogen 3.088 N/A THR 191.A OG1 VAL 178.A O no hydrogen 3.363 N/A LEU 192.A N VAL 178.A O no hydrogen 2.832 N/A SER 196.A OG PRO 195.A O no hydrogen 2.727 N/A SER 196.A OG SER 196.A O no hydrogen 2.379 N/A CYS 199.A N SER 196.A O no hydrogen 3.156 N/A CYS 199.A SG PRO 195.A O no hydrogen 3.900 N/A CYS 199.A SG SER 196.A O no hydrogen 3.519 N/A ALA 201.A N SER 219.A OG no hydrogen 2.636 N/A THR 203.A N ALA 217.A O no hydrogen 2.205 N/A THR 203.A OG1 ALA 217.A O no hydrogen 2.364 N/A THR 203.A OG1 VAL 246.A O no hydrogen 2.906 N/A CYS 204.A N ALA 217.A O no hydrogen 3.165 N/A CYS 204.A SG VAL 246.A O no hydrogen 3.581 N/A GLN 206.A N ALA 215.A O no hydrogen 2.981 N/A GLN 206.A NE2 LEU 205.A O no hydrogen 3.457 N/A THR 208.A N LEU 213.A O no hydrogen 2.948 N/A THR 208.A OG1 LEU 213.A O no hydrogen 2.451 N/A SER 212.A OG LEU 211.A O no hydrogen 2.558 N/A LEU 214.A N GLN 226.A O no hydrogen 3.037 N/A ALA 215.A N GLN 206.A O no hydrogen 2.973 N/A ILE 216.A N VAL 224.A O no hydrogen 2.871 N/A TYR 218.A N PRO 222.A O no hydrogen 2.970 N/A SER 219.A N ALA 201.A O no hydrogen 2.400 N/A SER 219.A OG ALA 201.A O no hydrogen 2.765 N/A GLY 221.A N TYR 218.A O no hydrogen 3.197 N/A LEU 223.A N LEU 237.A O no hydrogen 2.802 N/A VAL 224.A N ILE 216.A O no hydrogen 2.890 N/A ILE 225.A N LEU 235.A O no hydrogen 2.835 N/A GLN 226.A N LEU 214.A O no hydrogen 2.945 N/A ASN 227.A N LYS 232.A O no hydrogen 3.264 N/A ASN 227.A ND2 SER 212.A O no hydrogen 3.348 N/A VAL 228.A N SER 212.A O no hydrogen 3.118 N/A THR 230.A N ASN 227.A O no hydrogen 2.847 N/A ASP 231.A N ASN 227.A O no hydrogen 2.576 N/A LYS 232.A N THR 230.A OG1 no hydrogen 3.311 N/A VAL 234.A N ILE 225.A O no hydrogen 2.641 N/A LEU 235.A N ILE 225.A O no hydrogen 3.099 N/A LEU 237.A N LEU 223.A O no hydrogen 2.938 N/A ALA 239.A N GLY 221.A O no hydrogen 2.814 N/A GLY 240.A N GLY 221.A O no hydrogen 2.739 N/A ALA 244.A N THR 241.A OG1 no hydrogen 2.494 N/A THR 247.A N ALA 271.A O no hydrogen 2.559 N/A SER 248.A N ALA 271.A O no hydrogen 2.976 N/A SER 248.A OG THR 247.A O no hydrogen 2.619 N/A SER 248.A OG SER 311.A O no hydrogen 3.475 N/A SER 250.A N ALA 269.A O no hydrogen 2.983 N/A ARG 252.A N VAL 267.A O no hydrogen 2.967 N/A ARG 252.A NE ASP 254.A OD2 no hydrogen 2.220 N/A GLY 255.A N ASP 265.A OD2 no hydrogen 2.809 N/A ALA 258.A N LYS 264.A O no hydrogen 2.386 N/A LYS 264.A N ALA 258.A O no hydrogen 3.220 N/A MET 268.A N TRP 281.A O no hydrogen 3.061 N/A ALA 269.A N SER 250.A O no hydrogen 2.890 N/A THR 270.A N THR 279.A O no hydrogen 2.894 N/A ALA 271.A N SER 248.A O no hydrogen 2.950 N/A THR 272.A OG1 PRO 245.A O no hydrogen 3.138 N/A SER 273.A OG SER 273.A O no hydrogen 2.397 N/A VAL 274.A N THR 272.A OG1 no hydrogen 2.729 N/A VAL 278.A N LEU 293.A O no hydrogen 3.048 N/A THR 279.A N THR 270.A O no hydrogen 3.018 N/A PHE 280.A N GLY 291.A O no hydrogen 2.850 N/A TRP 281.A N MET 268.A O no hydrogen 2.943 N/A ASP 282.A N ARG 288.A O no hydrogen 2.857 N/A LEU 283.A N GLY 266.A O no hydrogen 2.910 N/A ARG 288.A NH1 ILE 289.A O no hydrogen 2.636 N/A MET 290.A N PHE 280.A O no hydrogen 2.833 N/A GLY 291.A N PHE 280.A O no hydrogen 2.973 N/A LEU 293.A N VAL 278.A O no hydrogen 2.950 N/A SER 295.A OG ARG 294.A O no hydrogen 2.612 N/A HIS 297.A ND1 SER 330.A OG no hydrogen 2.580 N/A HIS 297.A NE2 THR 324.A OG1 no hydrogen 2.658 N/A VAL 306.A N ASN 304.A OD1 no hydrogen 3.309 N/A ARG 307.A NH2 GLY 695.A O no hydrogen 2.523 N/A GLY 309.A N ASN 298.A O no hydrogen 3.331 N/A SER 311.A N SER 325.A O no hydrogen 2.773 N/A SER 311.A OG GLY 18.A O no hydrogen 2.574 N/A SER 311.A OG VAL 19.A O no hydrogen 2.794 N/A LYS 312.A N SER 325.A O no hydrogen 3.364 N/A LYS 312.A NZ PHE 21.A O no hydrogen 3.446 N/A GLU 314.A N VAL 323.A O no hydrogen 2.970 N/A PHE 315.A N SER 250.A OG no hydrogen 2.512 N/A GLY 318.A N THR 253.A OG1 no hydrogen 2.830 N/A GLN 319.A NE2 ALA 317.A O no hydrogen 3.403 N/A ILE 322.A N TRP 334.A O no hydrogen 2.809 N/A VAL 323.A N GLU 314.A O no hydrogen 2.732 N/A THR 324.A N LYS 332.A O no hydrogen 3.184 N/A THR 324.A OG1 HIS 297.A NE2 no hydrogen 2.658 N/A SER 325.A N LYS 312.A O no hydrogen 3.323 N/A SER 325.A OG SER 15.A OG no hydrogen 2.992 N/A SER 325.A OG GLY 326.A O no hydrogen 3.359 N/A LEU 327.A N GLY 309.A O no hydrogen 2.463 N/A ASN 329.A N LEU 327.A O no hydrogen 2.660 N/A ASN 329.A ND2 GLY 12.A O no hydrogen 3.558 N/A SER 330.A OG HIS 297.A ND1 no hydrogen 2.580 N/A SER 330.A OG ASP 328.A O no hydrogen 3.353 N/A LEU 331.A N ARG 351.A O no hydrogen 2.905 N/A LYS 332.A N THR 324.A O no hydrogen 3.060 N/A LYS 332.A NZ ALA 296.A O no hydrogen 2.623 N/A THR 333.A N HIS 349.A O no hydrogen 2.931 N/A THR 333.A OG1 HIS 349.A O no hydrogen 3.456 N/A TRP 334.A N ILE 322.A O no hydrogen 3.382 N/A ILE 335.A N ARG 346.A O no hydrogen 2.806 N/A ARG 346.A N ILE 335.A O no hydrogen 2.959 N/A LEU 348.A N THR 333.A O no hydrogen 2.740 N/A HIS 349.A N THR 333.A O no hydrogen 3.108 N/A ARG 351.A N LEU 331.A O no hydrogen 2.928 N/A ARG 351.A NH2 GLY 396.A O no hydrogen 2.873 N/A SER 352.A OG GLY 353.A O no hydrogen 2.786 N/A HIS 354.A ND1 ASP 384.A OD1 no hydrogen 3.100 N/A HIS 354.A NE2 SER 380.A OG no hydrogen 2.722 N/A ARG 359.A N GLY 381.A O no hydrogen 3.007 N/A CYS 360.A N GLY 381.A O no hydrogen 2.998 N/A CYS 360.A SG GLY 381.A O no hydrogen 4.034 N/A HIS 362.A N LEU 379.A O no hydrogen 2.982 N/A HIS 362.A NE2 SER 435.A OG no hydrogen 3.212 N/A LEU 364.A N TRP 377.A O no hydrogen 2.949 N/A SER 366.A OG ASP 367.A O no hydrogen 3.164 N/A SER 366.A OG PHE 368.A O no hydrogen 2.966 N/A SER 366.A OG GLY 373.A O no hydrogen 2.280 N/A GLY 370.A N ASP 367.A O no hydrogen 2.941 N/A LYS 376.A NZ GLN 397.A OE1 no hydrogen 3.271 N/A LEU 378.A N TRP 390.A O no hydrogen 2.986 N/A LEU 379.A N HIS 362.A O no hydrogen 2.879 N/A SER 380.A N TRP 388.A O no hydrogen 3.093 N/A SER 380.A OG HIS 354.A NE2 no hydrogen 2.722 N/A GLY 381.A N CYS 360.A O no hydrogen 2.867 N/A GLY 382.A N SER 386.A O no hydrogen 3.053 N/A LYS 383.A N PRO 357.A O no hydrogen 3.454 N/A ARG 385.A N GLY 382.A O no hydrogen 2.232 N/A ARG 385.A NH2 ASP 424.A O no hydrogen 3.287 N/A SER 386.A N GLY 382.A O no hydrogen 3.055 N/A TRP 388.A N SER 380.A O no hydrogen 2.888 N/A GLY 389.A N ALA 399.A O no hydrogen 2.976 N/A TRP 390.A N LEU 378.A O no hydrogen 2.939 N/A LEU 392.A N LYS 376.A O no hydrogen 2.940 N/A ARG 393.A NH2 ASN 375.A OD1 no hydrogen 2.944 N/A GLN 397.A N ARG 394.A O no hydrogen 2.606 N/A ALA 399.A N GLY 389.A O no hydrogen 2.962 N/A LEU 401.A N LEU 387.A O no hydrogen 2.960 N/A SER 402.A N ARG 486.A O no hydrogen 3.240 N/A GLN 403.A NE2 ARG 385.A O no hydrogen 3.593 N/A ILE 406.A N GLY 404.A O no hydrogen 2.412 N/A LYS 409.A N ALA 405.A O no hydrogen 2.947 N/A ALA 410.A N ILE 406.A O no hydrogen 3.001 N/A ARG 411.A N ARG 407.A O no hydrogen 2.974 N/A LYS 412.A N LYS 408.A O no hydrogen 2.854 N/A MET 413.A N LYS 409.A O no hydrogen 2.912 N/A LEU 425.A N THR 421.A O no hydrogen 2.857 N/A LYS 426.A N LEU 422.A O no hydrogen 3.055 N/A LYS 426.A N GLU 423.A O no hydrogen 3.346 N/A ALA 427.A N GLN 403.A OE1 no hydrogen 3.001 N/A THR 431.A N ALA 471.A O no hydrogen 2.465 N/A THR 431.A OG1 HIS 472.A O no hydrogen 2.359 N/A CYS 432.A N ALA 471.A O no hydrogen 3.089 N/A ALA 434.A N VAL 469.A O no hydrogen 3.022 N/A SER 435.A OG HIS 362.A NE2 no hydrogen 3.212 N/A SER 436.A N SER 467.A O no hydrogen 2.960 N/A ASN 438.A ND2 CYS 509.A O no hydrogen 2.255 N/A ARG 439.A NH1 ASN 438.A OD1 no hydrogen 3.039 N/A GLY 442.A N ASP 440.A O no hydrogen 2.625 N/A ALA 445.A N MET 443.A O no hydrogen 2.390 N/A GLN 450.A NE2 ILE 446.A O no hydrogen 2.380 N/A GLN 450.A NE2 PRO 447.A O no hydrogen 2.673 N/A GLN 450.A NE2 GLY 448.A O no hydrogen 2.777 N/A TRP 453.A N GLY 489.A O no hydrogen 3.068 N/A TRP 453.A NE1 THR 480.A O no hydrogen 3.177 N/A LYS 455.A NZ TRP 453.A O no hydrogen 3.137 N/A SER 460.A OG ALA 457.A O no hydrogen 3.342 N/A GLY 461.A N ALA 457.A O no hydrogen 2.883 N/A ASN 462.A N GLU 458.A O no hydrogen 2.978 N/A ASN 462.A N LEU 459.A O no hydrogen 3.290 N/A THR 463.A N LEU 459.A O no hydrogen 3.101 N/A THR 463.A OG1 ALA 445.A O no hydrogen 2.388 N/A TRP 465.A NE1 GLY 510.A O no hydrogen 3.149 N/A SER 467.A N TRP 481.A O no hydrogen 3.044 N/A VAL 468.A N TRP 481.A O no hydrogen 3.065 N/A VAL 469.A N ALA 434.A O no hydrogen 2.840 N/A THR 470.A N ARG 479.A O no hydrogen 3.004 N/A ALA 471.A N CYS 432.A O no hydrogen 2.960 N/A ALA 478.A N PHE 493.A O no hydrogen 2.857 N/A ARG 479.A N THR 470.A O no hydrogen 2.964 N/A THR 480.A N TRP 491.A O no hydrogen 3.007 N/A PHE 482.A N ARG 487.A O no hydrogen 2.787 N/A ARG 485.A NH2 GLY 448.A O no hydrogen 3.110 N/A ARG 486.A N TRP 483.A O no hydrogen 3.325 N/A ARG 486.A NH2 TRP 483.A O no hydrogen 3.283 N/A ARG 487.A NE ALA 488.A O no hydrogen 3.156 N/A ALA 488.A N SER 402.A O no hydrogen 2.920 N/A ARG 490.A NE GLU 466.A OE2 no hydrogen 2.803 N/A PHE 493.A N ALA 478.A O no hydrogen 2.965 N/A THR 495.A OG1 GLU 499.A O no hydrogen 3.395 N/A GLY 498.A N THR 495.A OG1 no hydrogen 2.606 N/A SER 502.A N GLY 516.A O no hydrogen 2.513 N/A SER 502.A OG GLY 516.A O no hydrogen 3.424 N/A THR 503.A N GLY 516.A O no hydrogen 3.013 N/A ALA 505.A N LEU 514.A O no hydrogen 2.985 N/A SER 507.A N PHE 512.A O no hydrogen 2.899 N/A SER 507.A OG ASN 560.A OD1 no hydrogen 3.323 N/A CYS 509.A SG THR 511.A OG1 no hydrogen 3.217 N/A GLY 510.A N SER 507.A OG no hydrogen 3.270 N/A THR 511.A OG1 CYS 509.A O no hydrogen 3.084 N/A ALA 513.A N PHE 525.A O no hydrogen 2.888 N/A LEU 514.A N ALA 505.A O no hydrogen 2.893 N/A VAL 515.A N ASP 523.A O no hydrogen 2.823 N/A GLY 516.A N THR 503.A O no hydrogen 2.796 N/A SER 517.A N SER 521.A O no hydrogen 3.115 N/A SER 517.A OG SER 521.A O no hydrogen 2.459 N/A THR 518.A N PRO 500.A O no hydrogen 3.003 N/A GLY 520.A N SER 517.A OG no hydrogen 2.907 N/A SER 521.A OG THR 495.A O no hydrogen 3.044 N/A ASP 523.A N VAL 515.A O no hydrogen 3.009 N/A MET 524.A N GLN 534.A O no hydrogen 2.946 N/A PHE 525.A N ALA 513.A O no hydrogen 2.873 N/A ASN 526.A N ARG 531.A O no hydrogen 2.849 N/A LEU 527.A N THR 511.A O no hydrogen 2.948 N/A SER 529.A N ASN 526.A OD1 no hydrogen 3.014 N/A SER 529.A OG ASN 526.A O no hydrogen 3.510 N/A SER 529.A OG ASN 526.A OD1 no hydrogen 3.086 N/A GLY 530.A N LEU 527.A O no hydrogen 3.382 N/A ARG 531.A N ASN 526.A O no hydrogen 3.162 N/A ARG 533.A N MET 524.A O no hydrogen 2.936 N/A PHE 536.A N ILE 522.A O no hydrogen 2.965 N/A SER 538.A N GLY 580.A O no hydrogen 3.446 N/A ARG 539.A N SER 538.A OG no hydrogen 2.279 N/A ALA 550.A N ASN 549.A OD1 no hydrogen 2.666 N/A VAL 551.A N SER 517.A O no hydrogen 2.941 N/A THR 552.A N CYS 566.A O no hydrogen 2.989 N/A VAL 555.A N VAL 564.A O no hydrogen 2.994 N/A ASP 557.A N HIS 562.A O no hydrogen 3.015 N/A ASN 560.A N ASP 557.A O no hydrogen 2.826 N/A VAL 563.A N TRP 575.A O no hydrogen 3.067 N/A VAL 564.A N VAL 555.A O no hydrogen 3.002 N/A SER 565.A N LYS 573.A O no hydrogen 2.936 N/A SER 565.A OG LYS 573.A O no hydrogen 2.646 N/A CYS 566.A SG THR 552.A O no hydrogen 3.125 N/A CYS 566.A SG SER 567.A O no hydrogen 3.206 N/A SER 567.A N LYS 571.A O no hydrogen 2.954 N/A SER 567.A OG ASP 569.A O no hydrogen 2.326 N/A LEU 568.A N ALA 550.A O no hydrogen 2.579 N/A LYS 571.A N ASP 569.A O no hydrogen 3.293 N/A VAL 572.A N ILE 586.A O no hydrogen 2.939 N/A LYS 573.A N SER 565.A O no hydrogen 2.936 N/A LYS 573.A NZ GLY 545.A O no hydrogen 2.330 N/A PHE 574.A N ASP 584.A O no hydrogen 2.828 N/A TRP 575.A N VAL 563.A O no hydrogen 2.919 N/A TRP 575.A NE1 SER 565.A OG no hydrogen 2.855 N/A PHE 577.A N ARG 561.A O no hydrogen 2.955 N/A GLY 580.A N ASP 576.A O no hydrogen 2.914 N/A ASN 581.A N ASP 576.A O no hydrogen 3.099 N/A VAL 583.A N PHE 574.A O no hydrogen 2.914 N/A ASP 584.A N PHE 574.A O no hydrogen 3.064 N/A ILE 586.A N VAL 572.A O no hydrogen 2.909 N/A TRP 588.A N GLY 570.A O no hydrogen 2.987 N/A THR 592.A OG1 TRP 588.A O no hydrogen 2.515 N/A ILE 595.A N ALA 609.A O no hydrogen 2.485 N/A GLY 596.A N ALA 609.A O no hydrogen 3.110 N/A CYS 597.A SG ILE 554.A O no hydrogen 3.462 N/A ARG 598.A N ALA 607.A O no hydrogen 2.929 N/A ARG 598.A NH2 CYS 597.A O no hydrogen 2.212 N/A HIS 600.A N LEU 605.A O no hydrogen 2.844 N/A HIS 600.A NE2 PRO 643.A O no hydrogen 3.018 N/A LEU 605.A N HIS 600.A O no hydrogen 3.151 N/A ILE 606.A N VAL 618.A O no hydrogen 2.985 N/A ALA 607.A N ARG 598.A O no hydrogen 2.869 N/A PHE 608.A N ARG 616.A O no hydrogen 2.856 N/A ALA 609.A N GLY 596.A O no hydrogen 2.887 N/A CYS 610.A N SER 614.A O no hydrogen 2.954 N/A CYS 610.A SG ASP 612.A OD2 no hydrogen 3.118 N/A CYS 610.A SG SER 614.A O no hydrogen 3.234 N/A ASP 611.A N LYS 593.A O no hydrogen 2.718 N/A SER 614.A N CYS 610.A O no hydrogen 3.017 N/A SER 614.A OG ASP 612.A O no hydrogen 3.241 N/A SER 614.A OG ASP 612.A OD1 no hydrogen 2.790 N/A ILE 615.A N PHE 629.A O no hydrogen 3.116 N/A ARG 616.A N PHE 608.A O no hydrogen 2.896 N/A ARG 616.A NH1 ASP 612.A OD1 no hydrogen 3.324 N/A VAL 617.A N ARG 627.A O no hydrogen 2.888 N/A VAL 618.A N ILE 606.A O no hydrogen 2.905 N/A ILE 620.A N ASP 604.A O no hydrogen 3.276 N/A THR 622.A N ASP 619.A O no hydrogen 2.990 N/A THR 622.A OG1 ASP 619.A O no hydrogen 3.385 N/A THR 622.A OG1 ASN 624.A OD1 no hydrogen 2.131 N/A LYS 623.A N ASP 619.A O no hydrogen 2.842 N/A LYS 623.A NZ GLU 621.A O no hydrogen 2.354 N/A THR 625.A OG1 VAL 617.A O no hydrogen 3.380 N/A ILE 626.A N VAL 617.A O no hydrogen 2.654 N/A ARG 627.A N VAL 617.A O no hydrogen 3.034 N/A ARG 627.A NE ILE 626.A O no hydrogen 3.009 N/A ARG 627.A NH1 PRO 663.A O no hydrogen 2.985 N/A ARG 627.A NH2 PRO 663.A O no hydrogen 3.472 N/A PHE 629.A N ILE 615.A O no hydrogen 2.808 N/A ARG 633.A NH2 GLU 718.A O no hydrogen 2.753 N/A ARG 633.A NH2 SER 719.A OG no hydrogen 2.944 N/A ASN 637.A N ALA 651.A O no hydrogen 2.796 N/A ASN 637.A ND2 GLN 653.A OE1 no hydrogen 3.141 N/A ASN 637.A ND2 CYS 677.A O no hydrogen 3.221 N/A ASP 638.A N ALA 651.A O no hydrogen 2.995 N/A CYS 640.A N VAL 649.A O no hydrogen 2.865 N/A CYS 640.A SG LEU 680.A O no hydrogen 3.434 N/A SER 642.A N TRP 647.A O no hydrogen 2.926 N/A GLY 645.A N SER 642.A O no hydrogen 2.586 N/A ILE 648.A N TRP 660.A O no hydrogen 3.020 N/A VAL 649.A N CYS 640.A O no hydrogen 3.049 N/A ALA 650.A N ARG 658.A O no hydrogen 2.953 N/A ALA 651.A N ASP 638.A O no hydrogen 2.866 N/A ASP 654.A N SER 652.A OG no hydrogen 2.764 N/A SER 655.A OG SER 655.A O no hydrogen 2.345 N/A SER 655.A OG LEU 673.A O no hydrogen 2.496 N/A ILE 657.A N PHE 671.A O no hydrogen 2.857 N/A ARG 658.A N ALA 650.A O no hydrogen 2.874 N/A ARG 658.A NE GLY 631.A O no hydrogen 2.664 N/A VAL 659.A N ASP 669.A O no hydrogen 2.732 N/A TRP 660.A N ILE 648.A O no hydrogen 2.985 N/A LEU 662.A N ARG 646.A O no hydrogen 2.875 N/A ALA 665.A N LEU 662.A O no hydrogen 2.948 N/A HIS 666.A N ASP 661.A O no hydrogen 3.011 N/A ILE 668.A N VAL 659.A O no hydrogen 2.854 N/A ASP 669.A N VAL 659.A O no hydrogen 3.055 N/A PHE 671.A N ILE 657.A O no hydrogen 2.925 N/A LEU 673.A N SER 655.A O no hydrogen 2.899 N/A CYS 677.A SG ALA 692.A O no hydrogen 3.258 N/A THR 678.A N ALA 692.A O no hydrogen 2.651 N/A ALA 679.A N ALA 692.A O no hydrogen 3.111 N/A ALA 681.A N ALA 690.A O no hydrogen 2.908 N/A SER 683.A N TYR 688.A O no hydrogen 3.038 N/A SER 683.A OG THR 685.A O no hydrogen 3.098 N/A LEU 689.A N TRP 702.A O no hydrogen 2.932 N/A ALA 690.A N ALA 681.A O no hydrogen 2.930 N/A GLY 691.A N GLN 700.A O no hydrogen 2.943 N/A ALA 692.A N ALA 679.A O no hydrogen 2.798 N/A SER 696.A OG LEU 697.A O no hydrogen 2.873 N/A VAL 699.A N ILE 11.A O no hydrogen 2.974 N/A GLN 700.A N GLY 691.A O no hydrogen 2.821 N/A ILE 701.A N ARG 9.A O no hydrogen 2.794 N/A TRP 702.A N LEU 689.A O no hydrogen 2.899 N/A THR 703.A N ALA 6.A O no hydrogen 3.407 N/A ASN 704.A N GLU 687.A OE2 no hydrogen 3.097 N/A ASN 704.A ND2 GLY 686.A O no hydrogen 3.388 N/A ARG 705.A N ILE 4.A O no hydrogen 3.174 N/A THR 706.A OG1 ASN 704.A OD1 no hydrogen 2.330 N/A LEU 707.A N ASN 704.A OD1 no hydrogen 3.296 N/A PHE 708.A N ASN 704.A O no hydrogen 3.147 N/A ARG 709.A N ARG 705.A O no hydrogen 2.852 N/A SER 717.A OG GLN 715.A O no hydrogen 2.736 N/A SER 719.A OG GLU 718.A O no hydrogen 2.706 N/A SER 719.A OG GLU 718.A OE1 no hydrogen 2.974 N/A THR 722.A OG1 LEU 723.A O no hydrogen 2.513 N/A TRP 731.A N PRO 727.A O no hydrogen 3.089 N/A GLN 732.A N ARG 728.A O no hydrogen 2.827 N/A THR 733.A N SER 729.A O no hydrogen 2.881 N/A LEU 734.A N ARG 730.A O no hydrogen 3.070 N/A LEU 735.A N TRP 731.A O no hydrogen 2.850 N/A HIS 736.A N GLN 732.A O no hydrogen 3.088 N/A ASP 738.A N HIS 736.A O no hydrogen 2.642 N/A ALA 742.A N ASP 738.A O no hydrogen 3.008 N/A ARG 743.A N ILE 739.A O no hydrogen 2.858 N/A ASN 744.A N ILE 740.A O no hydrogen 2.908 N/A LYS 745.A N LYS 741.A O no hydrogen 3.005 N/A ALA 756.A N GLU 754.A O no hydrogen 2.978 N/A GLN 765.A N ILE 768.A O no hydrogen 2.630 N/A ILE 768.A N GLN 765.A O no hydrogen 3.242 N/A LEU 771.A N SER 769.A OG no hydrogen 2.772 N/A ILE 772.A N SER 769.A OG no hydrogen 3.139 N/A LYS 780.A N THR 776.A O no hydrogen 2.895 N/A LEU 781.A N PHE 777.A O no hydrogen 2.845 N/A LEU 782.A N THR 778.A O no hydrogen 2.864 N/A VAL 783.A N SER 779.A O no hydrogen 2.865 N/A GLY 784.A N LYS 780.A O no hydrogen 2.988 N/A GLY 785.A N LEU 781.A O no hydrogen 2.881 N/A ALA 786.A N LEU 782.A O no hydrogen 2.798 N/A LYS 787.A N VAL 783.A O no hydrogen 2.836 N/A ILE 794.A N TYR 790.A O no hydrogen 2.875 N/A GLU 795.A N THR 791.A O no hydrogen 2.824 N/A HIS 796.A N ASP 792.A O no hydrogen 2.935 N/A LEU 797.A N PHE 793.A O no hydrogen 2.845 N/A LYS 798.A N ILE 794.A O no hydrogen 2.883 N/A ALA 799.A N GLU 795.A O no hydrogen 2.852 N/A LEU 800.A N LEU 797.A O no hydrogen 3.266 N/A ALA 805.A N PRO 801.A O no hydrogen 2.864 N/A ASP 806.A N PRO 802.A O no hydrogen 2.861 N/A LEU 807.A N ALA 803.A O no hydrogen 2.840 N/A GLU 808.A N ALA 804.A O no hydrogen 2.841 N/A LEU 809.A N ALA 805.A O no hydrogen 2.931 N/A ARG 810.A N ASP 806.A O no hydrogen 2.893 N/A SER 811.A N LEU 807.A O no hydrogen 2.951 N/A SER 811.A N GLU 808.A O no hydrogen 3.129 N/A SER 811.A OG LEU 807.A O no hydrogen 2.583 N/A SER 811.A OG GLU 808.A O no hydrogen 2.801 N/A THR 821.A N ASP 818.A O no hydrogen 3.229 N/A THR 821.A OG1 ILE 814.A O no hydrogen 3.235 N/A THR 821.A OG1 ASP 818.A O no hydrogen 2.593 N/A LEU 824.A N SER 813.A O no hydrogen 3.347 N/A HIS 826.A N ASN 822.A O no hydrogen 3.008 N/A HIS 826.A ND1 ASN 822.A O no hydrogen 2.898 N/A PHE 827.A N GLU 823.A O no hydrogen 2.875 N/A ILE 828.A N LEU 824.A O no hydrogen 2.946 N/A ARG 829.A N LEU 825.A O no hydrogen 2.887 N/A ALA 830.A N HIS 826.A O no hydrogen 2.857 N/A LEU 831.A N PHE 827.A O no hydrogen 2.955 N/A THR 832.A N ILE 828.A O no hydrogen 2.965 N/A THR 832.A OG1 ILE 828.A O no hydrogen 3.500 N/A THR 832.A OG1 ARG 829.A O no hydrogen 2.325 N/A SER 833.A N ARG 829.A O no hydrogen 2.915 N/A SER 833.A OG ARG 829.A O no hydrogen 3.356 N/A SER 833.A OG ALA 830.A O no hydrogen 2.292 N/A ARG 834.A N ALA 830.A O no hydrogen 2.908 N/A LEU 835.A N LEU 831.A O no hydrogen 2.926 N/A VAL 836.A N THR 832.A O no hydrogen 2.924 N/A ALA 837.A N SER 833.A O no hydrogen 2.884 N/A ARG 838.A N LEU 835.A O no hydrogen 2.886 N/A ARG 839.A N ARG 834.A O no hydrogen 3.364 N/A THR 844.A N ASP 840.A O no hydrogen 2.847 N/A THR 844.A OG1 ASP 840.A O no hydrogen 2.135 N/A GLN 845.A N TYR 841.A O no hydrogen 2.929 N/A GLN 845.A NE2 GLN 876.A OE1 no hydrogen 2.840 N/A ALA 846.A N GLU 842.A O no hydrogen 2.917 N/A TRP 847.A N LEU 843.A O no hydrogen 2.893 N/A MET 848.A N THR 844.A O no hydrogen 2.839 N/A THR 849.A N GLN 845.A O no hydrogen 2.875 N/A THR 849.A OG1 GLN 845.A O no hydrogen 3.421 N/A VAL 850.A N ALA 846.A O no hydrogen 3.039 N/A PHE 851.A N TRP 847.A O no hydrogen 2.890 N/A LEU 852.A N MET 848.A O no hydrogen 2.940 N/A ARG 853.A N THR 849.A O no hydrogen 2.885 N/A LEU 854.A N VAL 850.A O no hydrogen 2.974 N/A LEU 854.A N PHE 851.A O no hydrogen 3.169 N/A HIS 855.A N LEU 852.A O no hydrogen 3.263 N/A HIS 855.A NE2 LEU 809.A O no hydrogen 3.167 N/A ILE 859.A N HIS 855.A O no hydrogen 3.326 N/A MET 860.A N PHE 856.A O no hydrogen 2.959 N/A GLU 861.A N ASP 857.A O no hydrogen 2.894 N/A ASN 862.A N LEU 858.A O no hydrogen 2.890 N/A GLU 863.A N ASN 862.A OD1 no hydrogen 2.532 N/A GLU 864.A N ASN 862.A OD1 no hydrogen 3.138 N/A GLN 867.A N GLU 863.A O no hydrogen 3.150 N/A LEU 869.A N LEU 865.A O no hydrogen 2.891 N/A GLY 870.A N LEU 866.A O no hydrogen 2.908 N/A GLU 871.A N GLN 867.A O no hydrogen 3.027 N/A TRP 872.A N ALA 868.A O no hydrogen 2.919 N/A ARG 873.A N LEU 869.A O no hydrogen 2.773 N/A GLU 874.A N GLY 870.A O no hydrogen 2.931 N/A HIS 875.A N GLU 871.A O no hydrogen 3.126 N/A HIS 875.A ND1 GLU 871.A O no hydrogen 2.555 N/A GLN 876.A N TRP 872.A O no hydrogen 2.830 N/A ALA 877.A N ARG 873.A O no hydrogen 2.804 N/A ARG 878.A N GLU 874.A O no hydrogen 2.975 N/A GLU 879.A N HIS 875.A O no hydrogen 2.974 N/A ARG 880.A N GLN 876.A O no hydrogen 2.856 N/A ASP 881.A N ALA 877.A O no hydrogen 2.939 N/A ARG 882.A N ARG 878.A O no hydrogen 3.036 N/A LEU 883.A N GLU 879.A O no hydrogen 2.938 N/A SER 884.A N ARG 880.A O no hydrogen 2.875 N/A GLU 885.A N ASP 881.A O no hydrogen 2.944 N/A LEU 886.A N ARG 882.A O no hydrogen 3.079 N/A VAL 887.A N LEU 883.A O no hydrogen 2.936 N/A GLY 888.A N SER 884.A O no hydrogen 2.916 N/A TYR 889.A N GLU 885.A O no hydrogen 3.050 N/A CYS 890.A N LEU 886.A O no hydrogen 3.003 N/A GLY 891.A N VAL 887.A O no hydrogen 2.904 N/A GLY 892.A N GLY 888.A O no hydrogen 2.967 N/A VAL 893.A N TYR 889.A O no hydrogen 3.059 N/A VAL 894.A N CYS 890.A O no hydrogen 2.927 N/A SER 895.A N GLY 891.A O no hydrogen 2.911 N/A SER 895.A OG GLY 892.A O no hydrogen 2.734 N/A PHE 896.A N GLY 892.A O no hydrogen 2.911 N/A LEU 897.A N VAL 893.A O no hydrogen 2.841 N/A ARG 898.A N VAL 894.A O no hydrogen 2.918 N/A SER 899.A N SER 895.A O no hydrogen 2.901 N/A SER 899.A OG SER 895.A O no hydrogen 2.939 N/A THR 902.A N PRO 900.A O no hydrogen 2.867 N/A