Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8hyj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N SER 3.A O no hydrogen 3.148 N/A GLN 11.A N GLY 8.A O no hydrogen 2.672 N/A SER 12.A N GLY 8.A O no hydrogen 2.867 N/A SER 12.A N PHE 9.A O no hydrogen 3.065 N/A SER 12.A OG GLY 8.A O no hydrogen 2.929 N/A PHE 13.A N PHE 9.A O no hydrogen 2.921 N/A CYS 14.A SG LEU 10.A O no hydrogen 3.277 N/A LYS 15.A N SER 12.A O no hydrogen 2.680 N/A LYS 16.A N SER 12.A O no hydrogen 2.970 N/A ALA 17.A N PHE 13.A O no hydrogen 2.869 N/A ALA 18.A N LYS 15.A O no hydrogen 3.258 N/A THR 19.A OG1 LYS 15.A O no hydrogen 3.567 N/A THR 19.A OG1 LYS 16.A O no hydrogen 2.728 N/A SER 20.A OG LYS 16.A O no hydrogen 2.876 N/A SER 20.A OG TYR 575.A O no hydrogen 2.998 N/A PHE 22.A N THR 19.A O no hydrogen 2.914 N/A ASP 23.A N SER 20.A O no hydrogen 2.962 N/A LYS 24.A N SER 20.A O no hydrogen 3.046 N/A TYR 25.A N PHE 21.A O no hydrogen 2.968 N/A HIS 30.A NE2 LEU 427.A O no hydrogen 3.139 N/A GLN 31.A NE2 PHE 158.A O no hydrogen 3.196 N/A GLN 31.A NE2 LEU 427.A O no hydrogen 3.353 N/A LEU 32.A N ILE 28.A O no hydrogen 3.015 N/A ASN 33.A N SER 29.A O no hydrogen 2.902 N/A SER 34.A N HIS 30.A O no hydrogen 3.108 N/A TYR 35.A N GLN 31.A O no hydrogen 3.231 N/A TYR 35.A OH PRO 118.A O no hydrogen 2.516 N/A ASN 36.A N LEU 32.A O no hydrogen 3.080 N/A ASN 36.A ND2 SER 123.A OG no hydrogen 2.837 N/A PHE 38.A N SER 34.A O no hydrogen 3.198 N/A ILE 39.A N TYR 35.A O no hydrogen 3.178 N/A GLU 40.A N TYR 37.A O no hydrogen 2.960 N/A PHE 47.A N LEU 43.A O no hydrogen 3.279 N/A GLN 48.A N GLN 44.A O no hydrogen 2.740 N/A SER 49.A N ASN 45.A O no hydrogen 3.164 N/A SER 49.A OG ASN 45.A O no hydrogen 3.461 N/A MET 53.A N VAL 64.A O no hydrogen 3.263 N/A VAL 55.A N ALA 62.A O no hydrogen 2.555 N/A ARG 60.A NE LEU 371.A O no hydrogen 3.198 N/A ARG 60.A NH1 LEU 371.A O no hydrogen 2.792 N/A TYR 61.A N PHE 110.A O no hydrogen 2.711 N/A THR 63.A N GLU 108.A O no hydrogen 2.885 N/A THR 63.A OG1 GLU 108.A O no hydrogen 3.122 N/A VAL 64.A N MET 53.A O no hydrogen 3.479 N/A GLY 67.A N ASN 104.A O no hydrogen 2.918 N/A THR 70.A N LYS 102.A O no hydrogen 2.920 N/A THR 70.A OG1 LYS 102.A O no hydrogen 2.881 N/A GLU 72.A N ARG 100.A O no hydrogen 3.088 N/A PHE 76.A N LEU 83.A O no hydrogen 3.201 N/A SER 78.A N LYS 81.A O no hydrogen 2.714 N/A LEU 83.A N PHE 76.A O no hydrogen 2.926 N/A LEU 86.A N HIS 89.A ND1 no hydrogen 2.945 N/A HIS 89.A N LEU 86.A O no hydrogen 2.921 N/A ALA 90.A N PRO 87.A O no hydrogen 2.985 N/A ARG 91.A N PRO 87.A O no hydrogen 3.256 N/A ARG 91.A N TRP 88.A O no hydrogen 2.930 N/A LEU 92.A N TRP 88.A O no hydrogen 3.146 N/A GLN 93.A N HIS 89.A O no hydrogen 3.012 N/A GLN 93.A NE2 SER 793.A O no hydrogen 2.893 N/A ASN 94.A N ALA 90.A O no hydrogen 2.916 N/A MET 95.A N ALA 90.A O no hydrogen 3.079 N/A THR 96.A OG1 ILE 151.A O no hydrogen 2.357 N/A ARG 100.A NH1 THR 75.A OG1 no hydrogen 2.959 N/A ILE 101.A N GLY 115.A O no hydrogen 3.298 N/A LYS 102.A N THR 70.A O no hydrogen 2.894 N/A VAL 103.A N ILE 112.A O no hydrogen 3.084 N/A ASN 104.A N GLU 68.A O no hydrogen 3.138 N/A GLU 108.A N THR 63.A O no hydrogen 2.971 N/A PHE 110.A N TYR 61.A O no hydrogen 2.781 N/A ILE 114.A N ILE 101.A O no hydrogen 3.029 N/A SER 116.A OG ALA 99.A O no hydrogen 3.466 N/A SER 116.A OG GLY 115.A O no hydrogen 2.828 N/A ILE 117.A N ALA 99.A O no hydrogen 3.157 N/A VAL 119.A N TYR 97.A O no hydrogen 3.352 N/A VAL 121.A N TYR 148.A O no hydrogen 2.956 N/A SER 123.A N MET 120.A O no hydrogen 2.881 N/A LEU 125.A N SER 123.A OG no hydrogen 3.315 N/A CYS 126.A N SER 123.A O no hydrogen 2.863 N/A CYS 126.A SG TYR 97.A OH no hydrogen 3.223 N/A CYS 126.A SG THR 128.A OG1 no hydrogen 2.994 N/A LYS 127.A N TYR 97.A OH no hydrogen 3.403 N/A SER 129.A OG SER 123.A O no hydrogen 3.349 N/A SER 129.A OG CYS 126.A O no hydrogen 2.801 N/A ASP 144.A N CYS 141.A O no hydrogen 3.168 N/A TYR 148.A OH ASP 144.A OD2 no hydrogen 3.007 N/A PHE 149.A N LYS 156.A O no hydrogen 3.099 N/A ILE 151.A N ALA 154.A O no hydrogen 2.962 N/A LYS 156.A N PHE 149.A O no hydrogen 2.918 N/A VAL 157.A N ALA 413.A O no hydrogen 2.973 N/A ILE 159.A N VAL 411.A O no hydrogen 2.949 N/A GLN 161.A N GLU 342.A O no hydrogen 3.527 N/A GLN 161.A NE2 ILE 159.A O no hydrogen 2.730 N/A GLN 161.A NE2 GLY 410.A O no hydrogen 2.711 N/A GLU 162.A N ARG 431.A O no hydrogen 3.011 N/A GLN 163.A N ARG 340.A O no hydrogen 2.789 N/A CYS 165.A N ASN 338.A O no hydrogen 3.419 N/A THR 166.A OG1 ARG 181.A O no hydrogen 3.205 N/A ARG 168.A NH1 GLU 592.A OE2 no hydrogen 2.755 N/A TRP 170.A N SER 179.A O no hydrogen 3.347 N/A SER 172.A N THR 177.A O no hydrogen 2.871 N/A TRP 176.A N ASN 173.A O no hydrogen 3.243 N/A THR 177.A N SER 172.A O no hydrogen 3.156 N/A VAL 178.A N VAL 191.A O no hydrogen 3.145 N/A PHE 180.A N PHE 189.A O no hydrogen 3.233 N/A ASN 187.A N ASN 184.A O no hydrogen 2.872 N/A ARG 188.A N LYS 185.A O no hydrogen 3.452 N/A ARG 188.A NE SER 182.A O no hydrogen 3.450 N/A VAL 191.A N VAL 178.A O no hydrogen 3.195 N/A ARG 192.A N THR 210.A O no hydrogen 2.913 N/A LEU 193.A N TRP 176.A O no hydrogen 3.273 N/A SER 194.A N VAL 208.A O no hydrogen 3.304 N/A LYS 203.A NZ GLU 195.A O no hydrogen 3.078 N/A ARG 205.A N TYR 202.A O no hydrogen 2.951 N/A LYS 207.A NZ TYR 324.A OH no hydrogen 2.626 N/A VAL 208.A N SER 194.A O no hydrogen 3.401 N/A VAL 211.A N ILE 218.A O no hydrogen 2.945 N/A LEU 223.A N PRO 219.A O no hydrogen 3.356 N/A PHE 224.A N VAL 220.A O no hydrogen 3.027 N/A PHE 225.A N TRP 221.A O no hydrogen 3.266 N/A ALA 226.A N LEU 222.A O no hydrogen 3.082 N/A LEU 227.A N LEU 223.A O no hydrogen 3.062 N/A LEU 227.A N PHE 224.A O no hydrogen 3.140 N/A GLY 228.A N PHE 225.A O no hydrogen 2.889 N/A VAL 229.A N PHE 224.A O no hydrogen 3.001 N/A GLU 234.A N SER 231.A OG no hydrogen 3.097 N/A ALA 235.A N SER 231.A O no hydrogen 3.240 N/A MET 236.A N ASP 232.A O no hydrogen 3.093 N/A ASP 237.A N LYS 233.A O no hydrogen 3.095 N/A LEU 238.A N GLU 234.A O no hydrogen 3.114 N/A ILE 239.A N ALA 235.A O no hydrogen 3.164 N/A ILE 239.A N MET 236.A O no hydrogen 3.052 N/A PHE 241.A N ILE 239.A O no hydrogen 2.874 N/A THR 249.A N ASP 245.A O no hydrogen 3.459 N/A THR 249.A OG1 ASP 245.A O no hydrogen 3.545 N/A THR 249.A OG1 ALA 246.A O no hydrogen 3.283 N/A SER 251.A N ILE 248.A O no hydrogen 3.182 N/A SER 251.A OG SER 247.A O no hydrogen 2.751 N/A LEU 252.A N ILE 248.A O no hydrogen 2.946 N/A ILE 253.A N THR 249.A O no hydrogen 2.915 N/A ALA 254.A N ASN 250.A O no hydrogen 3.481 N/A SER 255.A N SER 251.A O no hydrogen 2.953 N/A SER 255.A OG GLU 206.A O no hydrogen 3.457 N/A SER 255.A OG LYS 207.A O no hydrogen 3.471 N/A SER 255.A OG SER 251.A O no hydrogen 3.214 N/A ILE 256.A N LEU 252.A O no hydrogen 2.912 N/A HIS 257.A N ILE 253.A O no hydrogen 3.003 N/A HIS 257.A ND1 ILE 253.A O no hydrogen 2.689 N/A VAL 258.A N ALA 254.A O no hydrogen 2.946 N/A ALA 259.A N SER 255.A O no hydrogen 2.955 N/A ASP 260.A N ILE 256.A O no hydrogen 3.211 N/A ASP 260.A N HIS 257.A O no hydrogen 3.335 N/A ALA 261.A N HIS 257.A O no hydrogen 3.232 N/A CYS 263.A SG ASN 271.A O no hydrogen 3.732 N/A THR 274.A N ASN 270.A O no hydrogen 2.912 N/A THR 274.A OG1 ASN 270.A O no hydrogen 3.286 N/A THR 274.A OG1 ASN 271.A O no hydrogen 2.680 N/A TYR 275.A N ASN 271.A O no hydrogen 2.784 N/A VAL 276.A N ALA 272.A O no hydrogen 3.039 N/A GLU 277.A N LEU 273.A O no hydrogen 2.904 N/A GLN 278.A N THR 274.A O no hydrogen 2.809 N/A GLN 279.A N TYR 275.A O no hydrogen 3.092 N/A GLN 279.A NE2 TYR 275.A OH no hydrogen 2.966 N/A ILE 280.A N VAL 276.A O no hydrogen 2.888 N/A LYS 281.A N GLU 277.A O no hydrogen 3.032 N/A SER 282.A N GLN 278.A O no hydrogen 2.940 N/A SER 282.A OG GLN 278.A O no hydrogen 3.088 N/A THR 283.A OG1 SER 215.A O no hydrogen 3.270 N/A GLU 293.A N SER 290.A O no hydrogen 2.841 N/A CYS 294.A N SER 290.A O no hydrogen 3.038 N/A CYS 294.A SG GLU 289.A O no hydrogen 3.552 N/A CYS 294.A SG SER 290.A O no hydrogen 3.726 N/A LEU 295.A N VAL 291.A O no hydrogen 2.869 N/A LEU 297.A N GLU 293.A O no hydrogen 2.519 N/A TYR 298.A N CYS 294.A O no hydrogen 2.958 N/A LEU 299.A N CYS 294.A O no hydrogen 3.332 N/A LEU 303.A N PHE 300.A O no hydrogen 3.299 N/A SER 305.A OG ASP 492.A OD1 no hydrogen 2.581 N/A SER 305.A OG ASP 492.A OD2 no hydrogen 3.538 N/A LYS 307.A NZ GLY 228.A O no hydrogen 2.831 N/A LYS 308.A N SER 305.A OG no hydrogen 3.002 N/A LYS 309.A N SER 305.A O no hydrogen 3.146 N/A LYS 309.A NZ LEU 303.A O no hydrogen 3.186 N/A LYS 309.A NZ SER 305.A O no hydrogen 2.944 N/A ALA 310.A N LEU 306.A O no hydrogen 2.936 N/A ARG 311.A N LYS 307.A O no hydrogen 3.228 N/A ARG 311.A NE ASP 493.A O no hydrogen 3.425 N/A ARG 311.A NH1 ASP 493.A O no hydrogen 3.284 N/A ARG 311.A NH1 THR 496.A O no hydrogen 2.918 N/A PHE 312.A N LYS 308.A O no hydrogen 3.341 N/A LEU 313.A N LYS 309.A O no hydrogen 3.232 N/A GLY 314.A N ALA 310.A O no hydrogen 3.160 N/A GLY 314.A N ARG 311.A O no hydrogen 2.807 N/A TYR 315.A N ARG 311.A O no hydrogen 3.345 N/A TYR 315.A OH GLU 547.A OE1 no hydrogen 2.692 N/A TYR 315.A OH GLU 547.A OE2 no hydrogen 3.175 N/A MET 316.A N PHE 312.A O no hydrogen 2.997 N/A VAL 317.A N LEU 313.A O no hydrogen 3.086 N/A LYS 318.A N GLY 314.A O no hydrogen 2.941 N/A CYS 319.A N TYR 315.A O no hydrogen 3.279 N/A CYS 319.A SG TYR 315.A O no hydrogen 3.347 N/A LEU 321.A N VAL 317.A O no hydrogen 2.927 N/A ASN 322.A N LYS 318.A O no hydrogen 2.742 N/A SER 323.A N CYS 319.A O no hydrogen 2.948 N/A SER 323.A OG ARG 328.A O no hydrogen 3.371 N/A TYR 324.A N LEU 320.A O no hydrogen 3.128 N/A ALA 325.A N LEU 321.A O no hydrogen 3.056 N/A GLY 326.A N SER 323.A O no hydrogen 2.784 N/A LYS 327.A N ASN 322.A O no hydrogen 3.071 N/A GLU 331.A N ILE 171.A O no hydrogen 3.371 N/A PHE 336.A N SER 442.A OG no hydrogen 3.302 N/A ARG 337.A NH2 GLU 595.A OE2 no hydrogen 3.421 N/A ASN 338.A N SER 335.A O no hydrogen 3.244 N/A LYS 339.A N PHE 336.A O no hydrogen 2.691 N/A LYS 339.A NZ GLN 432.A OE1 no hydrogen 2.818 N/A ARG 340.A N GLN 163.A O no hydrogen 2.743 N/A ARG 340.A NE ASP 553.A OD2 no hydrogen 2.726 N/A ARG 340.A NH1 LYS 339.A O no hydrogen 3.100 N/A ARG 340.A NH2 ASP 553.A OD2 no hydrogen 3.155 N/A ILE 341.A N GLY 555.A O no hydrogen 3.284 N/A GLU 342.A N GLN 161.A O no hydrogen 2.868 N/A GLU 349.A N GLY 345.A O no hydrogen 2.903 N/A ARG 350.A N GLU 346.A O no hydrogen 2.880 N/A GLU 351.A N LEU 347.A O no hydrogen 3.525 N/A ILE 352.A N LEU 348.A O no hydrogen 3.241 N/A ARG 353.A N GLU 349.A O no hydrogen 3.003 N/A VAL 354.A N ARG 350.A O no hydrogen 3.024 N/A HIS 355.A N GLU 351.A O no hydrogen 3.113 N/A LEU 356.A N ILE 352.A O no hydrogen 2.661 N/A ALA 357.A N ARG 353.A O no hydrogen 3.440 N/A ALA 359.A N HIS 355.A O no hydrogen 3.126 N/A ARG 360.A N LEU 356.A O no hydrogen 3.017 N/A ARG 360.A NH1 GLY 51.A O no hydrogen 2.518 N/A ARG 361.A N ALA 357.A O no hydrogen 3.003 N/A LYS 362.A N HIS 358.A O no hydrogen 2.965 N/A MET 363.A N ALA 359.A O no hydrogen 2.777 N/A THR 364.A N ARG 360.A O no hydrogen 3.026 N/A THR 364.A OG1 ARG 360.A O no hydrogen 2.924 N/A ARG 365.A N ARG 361.A O no hydrogen 3.131 N/A ALA 366.A N LYS 362.A O no hydrogen 2.915 N/A MET 367.A N MET 363.A O no hydrogen 2.665 N/A GLN 368.A N THR 364.A O no hydrogen 2.930 N/A GLN 368.A N ARG 365.A O no hydrogen 3.193 N/A HIS 370.A N ALA 366.A O no hydrogen 3.352 N/A LEU 371.A N MET 367.A O no hydrogen 2.651 N/A SER 372.A N GLN 368.A O no hydrogen 2.662 N/A SER 372.A OG GLN 368.A O no hydrogen 3.089 N/A SER 372.A OG LYS 369.A O no hydrogen 2.745 N/A HIS 378.A N PRO 375.A O no hydrogen 2.982 N/A TYR 379.A N ILE 376.A O no hydrogen 3.035 N/A SER 383.A N ASP 381.A OD1 no hydrogen 3.190 N/A VAL 384.A N ASP 381.A O no hydrogen 3.378 N/A THR 386.A N ALA 382.A O no hydrogen 3.423 N/A ASN 387.A N SER 383.A O no hydrogen 2.810 N/A GLY 388.A N VAL 384.A O no hydrogen 3.310 N/A LEU 389.A N ILE 385.A O no hydrogen 2.982 N/A SER 390.A N THR 386.A O no hydrogen 3.151 N/A SER 390.A OG THR 386.A O no hydrogen 3.196 N/A ARG 391.A N ASN 387.A O no hydrogen 2.964 N/A ALA 392.A N GLY 388.A O no hydrogen 3.147 N/A PHE 393.A N LEU 389.A O no hydrogen 3.023 N/A SER 394.A N SER 390.A O no hydrogen 2.859 N/A SER 394.A OG SER 390.A O no hydrogen 3.423 N/A SER 394.A OG ARG 391.A O no hydrogen 3.164 N/A THR 395.A N ARG 391.A O no hydrogen 2.977 N/A TRP 398.A NE1 LEU 347.A O no hydrogen 2.625 N/A HIS 400.A N GLU 406.A O no hydrogen 2.956 N/A PHE 402.A N HIS 400.A ND1 no hydrogen 3.047 N/A ARG 403.A N HIS 400.A ND1 no hydrogen 3.098 N/A ALA 413.A N VAL 157.A O no hydrogen 2.996 N/A LEU 415.A N GLU 155.A O no hydrogen 3.474 N/A ARG 417.A NE GLU 155.A OE1 no hydrogen 3.338 N/A ARG 417.A NE GLU 155.A OE2 no hydrogen 3.309 N/A ARG 417.A NH1 ASP 144.A OD1 no hydrogen 2.756 N/A ARG 417.A NH2 ASP 144.A OD1 no hydrogen 2.995 N/A ARG 417.A NH2 ASP 144.A OD2 no hydrogen 3.375 N/A ARG 417.A NH2 GLU 155.A OE1 no hydrogen 2.985 N/A ASN 419.A ND2 CYS 650.A O no hydrogen 3.089 N/A ASN 419.A ND2 ALA 653.A O no hydrogen 3.081 N/A GLN 422.A N ASN 419.A OD1 no hydrogen 2.636 N/A THR 423.A OG1 PRO 420.A O no hydrogen 2.883 N/A ILE 425.A N LEU 421.A O no hydrogen 3.050 N/A ASP 426.A N THR 423.A O no hydrogen 3.018 N/A ARG 428.A NH1 SER 465.A O no hydrogen 2.734 N/A ARG 428.A NH2 LEU 27.A O no hydrogen 2.597 N/A THR 430.A N LYS 462.A O no hydrogen 2.851 N/A ARG 431.A N ALA 160.A O no hydrogen 2.911 N/A GLN 433.A NE2 SER 409.A O no hydrogen 2.706 N/A ARG 437.A NH2 GLU 456.A O no hydrogen 3.022 N/A HIS 443.A N HIS 440.A O no hydrogen 3.416 N/A ARG 446.A NH1 GLU 594.A OE2 no hydrogen 3.149 N/A ARG 446.A NH2 TRP 444.A O no hydrogen 3.493 N/A ARG 446.A NH2 GLU 594.A OE1 no hydrogen 3.516 N/A ARG 446.A NH2 GLU 594.A OE2 no hydrogen 2.775 N/A CYS 448.A N ASN 463.A O no hydrogen 3.089 N/A SER 451.A OG GLN 647.A OE1 no hydrogen 3.331 N/A THR 452.A OG1 PRO 453.A O no hydrogen 3.498 N/A THR 452.A OG1 VAL 461.A O no hydrogen 3.406 N/A CYS 458.A N GLY 455.A O no hydrogen 3.202 N/A GLY 459.A N THR 452.A OG1 no hydrogen 2.879 N/A LEU 460.A N CYS 458.A O no hydrogen 2.742 N/A VAL 461.A N ASN 457.A O no hydrogen 3.485 N/A LYS 462.A N THR 430.A O no hydrogen 2.865 N/A LYS 462.A NZ LEU 460.A O no hydrogen 2.854 N/A MET 464.A N ARG 428.A O no hydrogen 3.314 N/A SER 465.A N ARG 446.A O no hydrogen 3.022 N/A SER 465.A OG LEU 623.A O no hydrogen 3.518 N/A LEU 466.A N LEU 624.A O no hydrogen 3.139 N/A LEU 469.A N LEU 558.A O no hydrogen 2.967 N/A SER 471.A OG ASP 553.A O no hydrogen 3.107 N/A THR 472.A N GLU 536.A OE1 no hydrogen 3.166 N/A GLN 473.A NE2 SER 474.A O no hydrogen 3.048 N/A SER 474.A OG GLU 476.A O no hydrogen 3.451 N/A LYS 481.A NZ GLU 532.A O no hydrogen 3.474 N/A LEU 482.A N VAL 478.A O no hydrogen 3.024 N/A PHE 483.A N VAL 479.A O no hydrogen 3.169 N/A ALA 484.A N GLU 480.A O no hydrogen 3.263 N/A ALA 484.A N LYS 481.A O no hydrogen 2.913 N/A CYS 485.A N LYS 481.A O no hydrogen 3.407 N/A CYS 485.A SG LYS 481.A O no hydrogen 3.461 N/A GLU 488.A N LEU 513.A O no hydrogen 2.737 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.779 N/A THR 496.A OG1 ASP 493.A O no hydrogen 3.413 N/A HIS 502.A N CYS 514.A O no hydrogen 2.788 N/A VAL 504.A N GLY 512.A O no hydrogen 3.106 N/A LEU 505.A N VAL 548.A O no hydrogen 3.011 N/A LEU 506.A N ASP 509.A O no hydrogen 3.195 N/A ASN 507.A N ILE 550.A O no hydrogen 2.976 N/A ASN 507.A ND2 THR 552.A OG1 no hydrogen 2.986 N/A ASP 509.A N LEU 506.A O no hydrogen 2.946 N/A VAL 511.A N VAL 504.A O no hydrogen 3.233 N/A LEU 513.A N GLU 488.A O no hydrogen 2.765 N/A CYS 514.A N HIS 502.A O no hydrogen 2.944 N/A CYS 514.A SG HIS 502.A O no hydrogen 3.541 N/A PHE 520.A N ASP 516.A O no hydrogen 3.062 N/A VAL 521.A N SER 517.A O no hydrogen 2.889 N/A ALA 522.A N GLU 518.A O no hydrogen 3.170 N/A GLU 523.A N SER 519.A O no hydrogen 3.074 N/A LEU 524.A N PHE 520.A O no hydrogen 3.010 N/A LYS 525.A N VAL 521.A O no hydrogen 2.891 N/A SER 526.A N ALA 522.A O no hydrogen 2.907 N/A ARG 527.A N GLU 523.A O no hydrogen 2.989 N/A ARG 528.A N LEU 524.A O no hydrogen 3.138 N/A ARG 528.A NH1 ARG 535.A O no hydrogen 3.469 N/A ARG 528.A NH1 LEU 588.A O no hydrogen 3.461 N/A ARG 529.A N LYS 525.A O no hydrogen 3.091 N/A ARG 529.A NH2 GLU 587.A OE1 no hydrogen 2.920 N/A GLN 530.A N ARG 527.A O no hydrogen 2.959 N/A SER 531.A N ARG 528.A O no hydrogen 3.293 N/A SER 531.A OG ASP 582.A OD1 no hydrogen 3.226 N/A GLU 532.A N ARG 527.A O no hydrogen 3.188 N/A ARG 535.A NH1 ASP 582.A OD1 no hydrogen 2.905 N/A GLU 538.A N PHE 551.A O no hydrogen 3.289 N/A LYS 540.A N ARG 549.A O no hydrogen 3.129 N/A LYS 540.A NZ GLU 595.A OE1 no hydrogen 2.804 N/A ASP 542.A N GLU 547.A O no hydrogen 2.987 N/A GLU 547.A N ASP 542.A O no hydrogen 3.370 N/A VAL 548.A N LYS 503.A O no hydrogen 3.047 N/A ARG 549.A N LYS 540.A O no hydrogen 2.988 N/A ARG 549.A NH1 GLU 547.A OE2 no hydrogen 2.847 N/A ARG 549.A NH2 GLU 592.A OE2 no hydrogen 2.882 N/A ILE 550.A N LEU 505.A O no hydrogen 3.054 N/A PHE 551.A N GLU 538.A O no hydrogen 3.333 N/A THR 552.A OG1 ASN 507.A OD1 no hydrogen 3.108 N/A GLY 555.A N SER 471.A O no hydrogen 3.357 N/A GLY 555.A N SER 471.A OG no hydrogen 3.070 N/A ARG 556.A N SER 471.A OG no hydrogen 3.033 N/A ARG 556.A NH1 ARG 337.A O no hydrogen 3.311 N/A LEU 558.A N LEU 469.A O no hydrogen 3.052 N/A LEU 561.A N GLU 587.A O no hydrogen 2.944 N/A LEU 562.A N CYS 616.A O no hydrogen 3.213 N/A ASN 566.A ND2 GLY 584.A O no hydrogen 2.498 N/A GLN 568.A N VAL 564.A O no hydrogen 2.926 N/A LYS 569.A N GLU 565.A O no hydrogen 3.008 N/A LEU 570.A N ASN 566.A O no hydrogen 2.899 N/A LEU 580.A N PRO 576.A O no hydrogen 3.370 N/A LEU 581.A N PHE 577.A O no hydrogen 3.003 N/A ASP 582.A N ASP 578.A O no hydrogen 3.111 N/A HIS 583.A N HIS 579.A O no hydrogen 3.169 N/A HIS 583.A ND1 HIS 579.A O no hydrogen 3.136 N/A GLY 584.A N LEU 581.A O no hydrogen 3.006 N/A ILE 585.A N LEU 580.A O no hydrogen 3.158 N/A ILE 589.A N ARG 559.A O no hydrogen 3.078 N/A GLU 594.A N GLY 590.A O no hydrogen 3.054 N/A GLU 595.A N GLU 592.A O no hydrogen 3.022 N/A ASP 596.A N GLU 593.A O no hydrogen 3.098 N/A CYS 597.A SG GLU 593.A O no hydrogen 3.433 N/A ASN 598.A N THR 614.A OG1 no hydrogen 2.968 N/A ASN 598.A ND2 ILE 612.A O no hydrogen 2.672 N/A ALA 600.A N HIS 615.A O no hydrogen 2.906 N/A LEU 606.A N GLY 602.A O no hydrogen 3.034 N/A LEU 607.A N ILE 603.A O no hydrogen 2.965 N/A LYS 608.A N LYS 604.A O no hydrogen 3.211 N/A LYS 608.A N GLN 605.A O no hydrogen 3.111 N/A THR 614.A N ASN 598.A O no hydrogen 2.847 N/A THR 614.A OG1 ASN 598.A O no hydrogen 2.963 N/A HIS 615.A N ASN 598.A O no hydrogen 3.368 N/A CYS 616.A N LEU 562.A O no hydrogen 2.729 N/A CYS 616.A SG GLU 617.A O no hydrogen 3.339 N/A GLU 617.A N ALA 600.A O no hydrogen 3.078 N/A SER 621.A N ASP 619.A OD1 no hydrogen 2.993 N/A SER 621.A OG ALA 629.A O no hydrogen 3.554 N/A PHE 622.A N ASP 619.A O no hydrogen 2.872 N/A LEU 623.A N LEU 620.A O no hydrogen 3.431 N/A SER 627.A OG SER 646.A O no hydrogen 3.104 N/A SER 627.A OG SER 646.A OG no hydrogen 2.772 N/A CYS 628.A N GLY 625.A O no hydrogen 3.165 N/A ALA 629.A N GLY 625.A O no hydrogen 2.830 N/A VAL 631.A N CYS 628.A O no hydrogen 3.385 N/A HIS 636.A N PHE 633.A O no hydrogen 2.992 N/A HIS 636.A NE2 THR 890.A OG1 no hydrogen 3.070 N/A HIS 638.A N GLN 858.A O no hydrogen 3.130 N/A VAL 642.A N HIS 638.A O no hydrogen 3.099 N/A LEU 643.A N GLY 639.A O no hydrogen 2.911 N/A TYR 644.A N ARG 640.A O no hydrogen 2.902 N/A GLN 645.A N ARG 641.A O no hydrogen 2.926 N/A SER 646.A N VAL 642.A O no hydrogen 2.892 N/A SER 646.A OG SER 627.A O no hydrogen 2.790 N/A SER 646.A OG SER 627.A OG no hydrogen 2.772 N/A GLN 647.A N TYR 644.A O no hydrogen 3.217 N/A LYS 648.A N TYR 644.A O no hydrogen 2.909 N/A HIS 649.A N TYR 644.A O no hydrogen 3.241 N/A CYS 650.A SG SER 627.A OG no hydrogen 3.321 N/A CYS 650.A SG SER 646.A O no hydrogen 3.139 N/A GLN 652.A N LYS 648.A O no hydrogen 2.913 N/A ILE 654.A N ARG 935.A O no hydrogen 2.924 N/A SER 658.A OG ASN 660.A O no hydrogen 3.011 N/A ARG 664.A NH1 GLU 155.A OE1 no hydrogen 2.992 N/A GLN 671.A N GLU 730.A O no hydrogen 3.159 N/A PHE 673.A N ARG 728.A O no hydrogen 3.074 N/A GLN 676.A N GLY 696.A O no hydrogen 3.167 N/A GLN 676.A NE2 GLN 697.A OE1 no hydrogen 3.422 N/A LYS 681.A N ARG 883.A O no hydrogen 2.855 N/A THR 682.A OG1 VAL 630.A O no hydrogen 3.445 N/A SER 685.A OG THR 682.A O no hydrogen 3.164 N/A GLU 686.A N THR 682.A O no hydrogen 3.423 N/A CYS 687.A N LEU 683.A O no hydrogen 2.975 N/A CYS 687.A SG LEU 683.A O no hydrogen 3.532 N/A LEU 688.A N ALA 684.A O no hydrogen 3.004 N/A LYS 689.A N SER 685.A O no hydrogen 3.113 N/A ASN 695.A ND2 VAL 692.A O no hydrogen 3.090 N/A GLN 697.A N TYR 933.A O no hydrogen 3.353 N/A ALA 699.A N THR 931.A O no hydrogen 2.675 N/A VAL 701.A N GLY 929.A O no hydrogen 2.813 N/A ALA 702.A N ILE 847.A O no hydrogen 3.270 N/A VAL 703.A N PHE 927.A O no hydrogen 3.171 N/A ASN 704.A N ILE 849.A O no hydrogen 3.052 N/A VAL 705.A N ASN 704.A OD1 no hydrogen 2.819 N/A HIS 706.A N ASN 710.A OD1 no hydrogen 2.984 N/A TYR 709.A N HIS 706.A O no hydrogen 3.171 N/A ASN 710.A ND2 ASN 704.A O no hydrogen 2.597 N/A GLN 711.A NE2 GLY 708.A O no hydrogen 3.095 N/A SER 714.A OG TYR 709.A O no hydrogen 3.344 N/A SER 714.A OG VAL 826.A O no hydrogen 3.037 N/A ILE 715.A N VAL 826.A O no hydrogen 2.756 N/A MET 717.A N TYR 829.A O no hydrogen 3.166 N/A ASN 718.A N ASP 846.A O no hydrogen 2.927 N/A LYS 719.A N GLU 831.A O no hydrogen 3.105 N/A LYS 719.A NZ GLU 723.A OE2 no hydrogen 3.427 N/A SER 721.A OG ASP 846.A OD1 no hydrogen 3.377 N/A MET 726.A N SER 721.A O no hydrogen 3.026 N/A SER 729.A N ARG 809.A O no hydrogen 3.090 N/A GLU 730.A N GLN 671.A O no hydrogen 3.162 N/A GLN 731.A N GLN 807.A O no hydrogen 2.892 N/A GLN 731.A NE2 GLN 731.A O no hydrogen 3.651 N/A ILE 732.A N SER 669.A O no hydrogen 3.256 N/A ARG 733.A N LEU 805.A O no hydrogen 3.047 N/A ARG 733.A NE TYR 735.A OH no hydrogen 2.756 N/A ARG 733.A NH2 TYR 735.A OH no hydrogen 3.242 N/A SER 734.A N THR 667.A O no hydrogen 3.378 N/A TYR 735.A N VAL 803.A O no hydrogen 2.947 N/A LYS 736.A NZ CYS 665.A O no hydrogen 3.090 N/A ALA 737.A N ALA 801.A O no hydrogen 3.159 N/A VAL 739.A N ASN 799.A O no hydrogen 2.706 N/A GLY 744.A N GLY 771.A O no hydrogen 3.085 N/A LYS 745.A NZ LEU 751.A O no hydrogen 2.985 N/A THR 746.A OG1 THR 746.A O no hydrogen 2.636 N/A GLU 752.A N PHE 756.A O no hydrogen 3.310 N/A GLY 755.A N GLU 752.A O no hydrogen 3.368 N/A PHE 756.A N ASP 754.A OD1 no hydrogen 3.165 N/A PHE 758.A N SER 750.A O no hydrogen 3.415 N/A GLY 760.A N VAL 786.A O no hydrogen 3.170 N/A ALA 761.A N PHE 758.A O no hydrogen 3.159 N/A MET 763.A N GLY 784.A O no hydrogen 2.815 N/A SER 764.A N ASP 767.A OD2 no hydrogen 2.836 N/A THR 765.A OG1 LYS 779.A O no hydrogen 2.901 N/A THR 765.A OG1 HIS 780.A O no hydrogen 3.414 N/A ASP 767.A N SER 764.A O no hydrogen 3.299 N/A VAL 769.A N ILE 776.A O no hydrogen 3.194 N/A GLY 771.A N GLY 755.A O no hydrogen 3.252 N/A ARG 772.A N SER 775.A OG no hydrogen 3.029 N/A ARG 772.A NE HIS 774.A O no hydrogen 3.526 N/A CYS 773.A N GLN 742.A O no hydrogen 3.021 N/A SER 775.A OG ARG 772.A O no hydrogen 3.158 N/A ILE 776.A N ILE 770.A O no hydrogen 3.083 N/A LEU 778.A N ASP 767.A O no hydrogen 2.990 N/A LYS 779.A N GLU 782.A OE1 no hydrogen 2.760 N/A THR 781.A OG1 THR 781.A O no hydrogen 2.575 N/A GLY 784.A N MET 763.A O no hydrogen 3.139 N/A ILE 785.A N ARG 806.A O no hydrogen 3.200 N/A VAL 786.A N ALA 761.A O no hydrogen 3.153 N/A GLN 787.A N SER 804.A O no hydrogen 2.878 N/A LYS 788.A NZ ASN 662.A O no hydrogen 3.415 N/A LYS 788.A NZ ARG 664.A O no hydrogen 3.124 N/A VAL 790.A N ALA 802.A O no hydrogen 3.149 N/A SER 792.A N PHE 800.A O no hydrogen 3.185 N/A SER 792.A OG LEU 92.A O no hydrogen 2.782 N/A LYS 798.A N ASN 794.A OD1 no hydrogen 2.928 N/A PHE 800.A N SER 792.A O no hydrogen 2.549 N/A ALA 801.A N ALA 737.A O no hydrogen 3.272 N/A ALA 802.A N VAL 790.A O no hydrogen 3.014 N/A VAL 803.A N TYR 735.A O no hydrogen 3.084 N/A SER 804.A N LYS 788.A O no hydrogen 3.139 N/A LEU 805.A N ARG 733.A O no hydrogen 3.051 N/A ARG 806.A N ILE 785.A O no hydrogen 3.131 N/A GLN 807.A N GLN 731.A O no hydrogen 3.386 N/A ARG 809.A N SER 729.A O no hydrogen 2.881 N/A ARG 809.A NH2 GLN 807.A OE1 no hydrogen 3.473 N/A CYS 812.A N ASP 815.A OD2 no hydrogen 3.030 N/A GLY 814.A N LEU 827.A O no hydrogen 3.146 N/A PHE 817.A N GLY 825.A O no hydrogen 2.838 N/A SER 818.A N GLN 934.A O no hydrogen 2.948 N/A SER 818.A OG HIS 649.A ND1 no hydrogen 2.937 N/A SER 818.A OG SER 819.A O no hydrogen 3.540 N/A SER 818.A OG GLN 823.A O no hydrogen 3.274 N/A SER 819.A N GLN 823.A O no hydrogen 3.337 N/A HIS 821.A NE2 PRO 632.A O no hydrogen 2.761 N/A GLN 823.A NE2 THR 859.A OG1 no hydrogen 2.834 N/A GLY 825.A N PHE 817.A O no hydrogen 2.979 N/A LEU 827.A N ASP 815.A O no hydrogen 3.346 N/A GLY 828.A N ILE 715.A O no hydrogen 2.686 N/A GLU 831.A N MET 717.A O no hydrogen 3.169 N/A GLU 832.A N GLU 832.A OE2 no hydrogen 2.710 N/A PHE 838.A N TYR 914.A O no hydrogen 3.205 N/A THR 839.A OG1 ILE 843.A O no hydrogen 3.006 N/A ILE 847.A N ILE 700.A O no hydrogen 3.325 N/A VAL 848.A N VAL 716.A O no hydrogen 2.972 N/A ALA 853.A N ASN 850.A O no hydrogen 2.963 N/A PHE 854.A N PRO 851.A O no hydrogen 3.286 N/A ARG 857.A N ALA 853.A O no hydrogen 2.995 N/A GLY 861.A N ASP 637.A OD1 no hydrogen 3.157 N/A GLU 865.A N GLY 861.A O no hydrogen 2.890 N/A ALA 866.A N GLN 862.A O no hydrogen 3.180 N/A ALA 867.A N LEU 863.A O no hydrogen 3.289 N/A LEU 868.A N LEU 864.A O no hydrogen 3.201 N/A SER 869.A N GLU 865.A O no hydrogen 2.988 N/A SER 869.A OG GLU 865.A O no hydrogen 3.106 N/A LYS 870.A N ALA 866.A O no hydrogen 3.140 N/A LYS 870.A NZ MET 928.A O no hydrogen 2.818 N/A GLY 871.A N ALA 867.A O no hydrogen 3.295 N/A ILE 872.A N LEU 868.A O no hydrogen 3.018 N/A ALA 873.A N SER 869.A O no hydrogen 2.925 N/A CYS 874.A N LYS 870.A O no hydrogen 2.963 N/A CYS 874.A SG LYS 870.A O no hydrogen 3.333 N/A ARG 883.A NH1 LEU 679.A O no hydrogen 3.084 N/A ALA 885.A N LYS 681.A O no hydrogen 3.322 N/A SER 889.A N THR 886.A O no hydrogen 3.330 N/A SER 889.A N THR 886.A OG1 no hydrogen 3.109 N/A THR 890.A OG1 HIS 636.A NE2 no hydrogen 3.070 N/A ILE 896.A N GLY 892.A O no hydrogen 2.965 N/A THR 897.A N VAL 893.A O no hydrogen 3.121 N/A THR 897.A OG1 VAL 893.A O no hydrogen 2.988 N/A THR 897.A OG1 THR 894.A O no hydrogen 3.174 N/A GLU 898.A N GLU 895.A O no hydrogen 3.301 N/A GLN 899.A N ILE 896.A O no hydrogen 3.240 N/A GLN 899.A NE2 THR 882.A O no hydrogen 3.663 N/A ALA 903.A N GLN 899.A O no hydrogen 2.951 N/A GLY 904.A N LEU 900.A O no hydrogen 3.101 N/A SER 906.A OG ASN 910.A OD1 no hydrogen 2.924 N/A GLY 909.A N SER 906.A O no hydrogen 3.048 N/A GLU 911.A N ILE 926.A O no hydrogen 2.739 N/A ARG 912.A NH2 MET 922.A O no hydrogen 3.084 N/A ARG 912.A NH2 ARG 923.A O no hydrogen 2.968 N/A TYR 914.A N PHE 838.A O no hydrogen 3.052 N/A ASN 915.A N GLU 920.A O no hydrogen 3.054 N/A ASN 915.A ND2 SER 918.A OG no hydrogen 3.386 N/A GLY 919.A N ASN 915.A O no hydrogen 2.933 N/A GLU 920.A N SER 918.A OG no hydrogen 3.086 N/A MET 922.A N VAL 913.A O no hydrogen 3.178 N/A ILE 926.A N GLU 911.A O no hydrogen 3.092 N/A GLY 929.A N VAL 701.A O no hydrogen 2.905 N/A THR 931.A N ALA 699.A O no hydrogen 2.760 N/A THR 931.A OG1 ALA 699.A O no hydrogen 3.461 N/A PHE 932.A N GLU 865.A OE1 no hydrogen 3.432 N/A TYR 933.A N GLN 697.A O no hydrogen 3.101 N/A GLN 934.A N SER 818.A O no hydrogen 2.559 N/A ARG 935.A NH1 SER 729.A OG no hydrogen 2.990 N/A LEU 936.A N LYS 816.A O no hydrogen 3.301 N/A MET 939.A N VAL 937.A O no hydrogen 2.860 N/A SER 940.A N ASP 815.A OD1 no hydrogen 3.023 N/A SER 940.A OG LEU 813.A O no hydrogen 3.360 N/A VAL 944.A N SER 940.A O no hydrogen 3.392 N/A LYS 945.A NZ HIS 780.A ND1 no hydrogen 2.929 N/A LYS 945.A NZ LYS 964.A O no hydrogen 2.981 N/A ARG 947.A NH2 PRO 951.A O no hydrogen 2.991 N/A HIS 953.A N GLN 958.A O no hydrogen 2.401 N/A ARG 957.A N HIS 953.A O no hydrogen 3.038 N/A LYS 970.A NZ VAL 960.A O no hydrogen 3.159 N/A LYS 970.A NZ GLY 968.A O no hydrogen 2.693 N/A ARG 976.A N GLY 972.A O no hydrogen 3.421 N/A ASP 977.A N GLU 973.A O no hydrogen 2.898 N/A CYS 978.A N MET 974.A O no hydrogen 2.911 N/A CYS 978.A SG MET 974.A O no hydrogen 3.188 N/A LEU 979.A N GLU 975.A O no hydrogen 2.895 N/A ILE 980.A N ARG 976.A O no hydrogen 2.919 N/A ALA 981.A N ASP 977.A O no hydrogen 2.903 N/A HIS 982.A N CYS 978.A O no hydrogen 2.915 N/A GLY 983.A N LEU 979.A O no hydrogen 3.035 N/A ALA 984.A N LEU 979.A O no hydrogen 3.174 N/A HIS 989.A N SER 985.A O no hydrogen 3.291 N/A GLU 990.A N ALA 986.A O no hydrogen 2.918 N/A ARG 991.A N ASN 987.A O no hydrogen 2.884 N/A LEU 992.A N LEU 988.A O no hydrogen 2.902 N/A PHE 993.A N HIS 989.A O no hydrogen 2.910 N/A THR 994.A N GLU 990.A O no hydrogen 2.891 N/A LEU 995.A N GLU 990.A O no hydrogen 3.434 N/A ASP 997.A N SER 996.A OG no hydrogen 2.470 N/A SER 999.A OG VAL 1030.A O no hydrogen 2.777 N/A ARG 1005.A N HIS 1024.A O no hydrogen 2.948 N/A ARG 1005.A NH1 THR 1052.A O no hydrogen 2.882 N/A ARG 1005.A NH2 THR 1052.A O no hydrogen 3.089 N/A ALA 1011.A N HIS 1002.A O no hydrogen 2.999 N/A LYS 1035.A NZ GLN 1000.A O no hydrogen 3.205 N/A LEU 1036.A N TYR 1032.A O no hydrogen 2.920 N/A LEU 1037.A N GLY 1033.A O no hydrogen 2.906 N/A CYS 1038.A N ALA 1034.A O no hydrogen 2.910 N/A CYS 1038.A SG ALA 1034.A O no hydrogen 3.107 N/A CYS 1038.A SG LYS 1035.A O no hydrogen 3.087 N/A GLN 1039.A N LYS 1035.A O no hydrogen 2.922 N/A GLU 1040.A N LEU 1036.A O no hydrogen 2.901 N/A LEU 1041.A N LEU 1037.A O no hydrogen 2.916 N/A PHE 1042.A N CYS 1038.A O no hydrogen 2.894 N/A SER 1043.A N GLN 1039.A O no hydrogen 2.902 N/A MET 1044.A N GLU 1040.A O no hydrogen 2.919 N/A GLY 1045.A N LEU 1041.A O no hydrogen 2.911 N/A ILE 1046.A N LEU 1041.A O no hydrogen 2.819 N/A