Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ASP 1.A O no hydrogen 3.387 N/A TYR 5.A OH VAL 78.A O no hydrogen 3.064 N/A LYS 6.A N LEU 2.A O no hydrogen 2.898 N/A ALA 7.A N GLN 3.A O no hydrogen 2.894 N/A HIS 8.A N ASP 4.A O no hydrogen 2.898 N/A VAL 9.A N TYR 5.A O no hydrogen 2.901 N/A ILE 10.A N LYS 6.A O no hydrogen 2.894 N/A ALA 11.A N ALA 7.A O no hydrogen 2.921 N/A LYS 12.A N HIS 8.A O no hydrogen 2.904 N/A LYS 12.A NZ HIS 8.A NE2 no hydrogen 3.485 N/A PHE 13.A N VAL 9.A O no hydrogen 3.094 N/A SER 16.A OG SER 16.A O no hydrogen 2.415 N/A SER 23.A N TYR 21.A O no hydrogen 2.724 N/A MET 26.A N SER 23.A O no hydrogen 3.104 N/A LYS 27.A NZ PRO 24.A O no hydrogen 3.215 N/A SER 30.A N MET 26.A O no hydrogen 2.971 N/A SER 30.A OG MET 26.A O no hydrogen 3.412 N/A ASP 31.A N LYS 27.A O no hydrogen 2.873 N/A ALA 32.A N LEU 29.A O no hydrogen 3.354 N/A PHE 40.A N GLN 37.A O no hydrogen 3.168 N/A ILE 45.A N LEU 168.A O no hydrogen 3.172 N/A ILE 46.A N LEU 188.A O no hydrogen 2.913 N/A LEU 47.A N ILE 170.A O no hydrogen 2.940 N/A HIS 48.A N ILE 190.A O no hydrogen 3.357 N/A HIS 48.A ND1 ASN 174.A OD1 no hydrogen 2.779 N/A LYS 55.A N VAL 53.A O no hydrogen 3.109 N/A LYS 55.A NZ GLY 49.A O no hydrogen 3.490 N/A LYS 55.A NZ ARG 50.A O no hydrogen 3.191 N/A LYS 55.A NZ THR 172.A O no hydrogen 3.241 N/A LEU 58.A N GLY 54.A O no hydrogen 3.148 N/A ALA 59.A N LYS 55.A O no hydrogen 2.935 N/A ARG 60.A N SER 56.A O no hydrogen 2.934 N/A SER 61.A N ALA 57.A O no hydrogen 2.857 N/A ILE 62.A N LEU 58.A O no hydrogen 2.919 N/A VAL 63.A N ALA 59.A O no hydrogen 2.990 N/A LEU 64.A N ARG 60.A O no hydrogen 2.897 N/A GLY 65.A N SER 61.A O no hydrogen 2.844 N/A TRP 66.A N ILE 62.A O no hydrogen 2.982 N/A TRP 66.A NE1 MET 75.A O no hydrogen 2.803 N/A ALA 67.A N VAL 63.A O no hydrogen 3.379 N/A ALA 67.A N LEU 64.A O no hydrogen 3.020 N/A GLN 68.A N GLY 65.A O no hydrogen 3.234 N/A GLY 69.A N GLY 65.A O no hydrogen 2.953 N/A LYS 70.A NZ LYS 70.A O no hydrogen 3.464 N/A LYS 74.A NZ GLU 117.A OE2 no hydrogen 3.297 N/A ILE 79.A N LEU 120.A O no hydrogen 3.236 N/A PHE 81.A N VAL 122.A O no hydrogen 2.771 N/A VAL 83.A N ASP 124.A O no hydrogen 3.175 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.786 N/A SER 92.A N GLN 148.A O no hydrogen 3.038 N/A SER 92.A OG LYS 91.A O no hydrogen 2.938 N/A ALA 95.A N SER 93.A OG no hydrogen 3.201 N/A LEU 97.A N SER 93.A O no hydrogen 3.390 N/A ILE 98.A N LEU 94.A O no hydrogen 3.149 N/A ALA 99.A N ALA 95.A O no hydrogen 2.895 N/A LYS 100.A N GLN 96.A O no hydrogen 2.899 N/A GLU 101.A N LEU 97.A O no hydrogen 2.925 N/A CYS 102.A N ILE 98.A O no hydrogen 2.475 N/A CYS 102.A SG ASP 104.A O no hydrogen 3.875 N/A CYS 102.A SG ASP 104.A OD1 no hydrogen 3.068 N/A ASP 104.A N ASP 104.A OD1 no hydrogen 2.364 N/A THR 110.A OG1 ASP 107.A O no hydrogen 3.059 N/A LYS 111.A N ASP 107.A O no hydrogen 2.855 N/A ILE 112.A N LEU 108.A O no hydrogen 2.913 N/A SER 114.A N LYS 111.A O no hydrogen 3.287 N/A GLN 115.A N LYS 111.A O no hydrogen 2.983 N/A LEU 120.A N PHE 77.A O no hydrogen 3.066 N/A PHE 121.A N PHE 167.A O no hydrogen 2.988 N/A VAL 122.A N ILE 79.A O no hydrogen 2.832 N/A ILE 123.A N ILE 169.A O no hydrogen 3.052 N/A ASP 124.A N PHE 81.A O no hydrogen 2.711 N/A ASP 128.A N ASP 128.A OD1 no hydrogen 2.395 N/A SER 131.A OG MET 305.A O no hydrogen 3.505 N/A GLN 148.A N SER 92.A O no hydrogen 3.066 N/A ILE 152.A N PRO 149.A O no hydrogen 2.969 N/A LEU 153.A N PRO 149.A O no hydrogen 3.465 N/A MET 154.A N ILE 150.A O no hydrogen 2.921 N/A TYR 155.A N TYR 151.A O no hydrogen 2.905 N/A SER 156.A N ILE 152.A O no hydrogen 2.901 N/A SER 156.A OG SER 141.A O no hydrogen 2.321 N/A LEU 157.A N LEU 153.A O no hydrogen 2.912 N/A LEU 158.A N MET 154.A O no hydrogen 2.936 N/A LYS 160.A N LEU 157.A O no hydrogen 3.287 N/A ALA 161.A N SER 156.A O no hydrogen 3.279 N/A SER 166.A OG LEU 163.A O no hydrogen 2.698 N/A PHE 167.A N LEU 119.A O no hydrogen 3.280 N/A LEU 168.A N HIS 43.A O no hydrogen 3.115 N/A ILE 169.A N PHE 121.A O no hydrogen 2.970 N/A ILE 170.A N ILE 45.A O no hydrogen 2.977 N/A THR 171.A N ILE 123.A O no hydrogen 3.185 N/A THR 172.A N LEU 47.A O no hydrogen 3.054 N/A ARG 173.A N THR 172.A OG1 no hydrogen 2.708 N/A ASN 174.A N GLY 49.A O no hydrogen 3.337 N/A GLY 176.A N ARG 173.A O no hydrogen 3.305 N/A LYS 181.A NZ GLU 178.A O no hydrogen 3.128 N/A LYS 181.A NZ GLU 178.A OE1 no hydrogen 2.982 N/A MET 183.A N LEU 180.A O no hydrogen 3.210 N/A VAL 184.A N LEU 180.A O no hydrogen 3.420 N/A SER 186.A OG VAL 185.A O no hydrogen 2.801 N/A SER 186.A OG SER 186.A O no hydrogen 2.527 N/A LEU 188.A N THR 44.A O no hydrogen 2.968 N/A ILE 190.A N ILE 46.A O no hydrogen 3.101 N/A VAL 192.A N HIS 48.A O no hydrogen 3.234 N/A GLY 194.A N GLN 232.A OE1 no hydrogen 3.508 N/A ARG 200.A N SER 196.A O no hydrogen 3.169 N/A ARG 200.A NH1 PHE 228.A O no hydrogen 2.568 N/A ARG 200.A NH2 LEU 195.A O no hydrogen 2.961 N/A SER 201.A N ALA 197.A O no hydrogen 2.885 N/A SER 201.A OG ALA 197.A O no hydrogen 2.806 N/A GLN 202.A N SER 198.A O no hydrogen 2.933 N/A LEU 203.A N ARG 199.A O no hydrogen 2.940 N/A VAL 204.A N ARG 200.A O no hydrogen 2.944 N/A LEU 205.A N SER 201.A O no hydrogen 2.878 N/A GLU 206.A N GLN 202.A O no hydrogen 3.007 N/A ASN 207.A N VAL 204.A O no hydrogen 3.275 N/A ASN 207.A ND2 GLN 245.A OE1 no hydrogen 3.138 N/A SER 209.A OG GLU 211.A OE2 no hydrogen 2.954 N/A ASN 210.A ND2 ILE 208.A O no hydrogen 2.775 N/A GLU 211.A N SER 209.A OG no hydrogen 3.353 N/A SER 212.A OG GLU 211.A O no hydrogen 2.837 N/A VAL 217.A N ASP 213.A O no hydrogen 3.359 N/A PHE 218.A N ARG 214.A O no hydrogen 2.894 N/A HIS 219.A N ILE 215.A O no hydrogen 2.950 N/A SER 220.A N GLN 216.A O no hydrogen 2.867 N/A SER 220.A OG GLN 216.A O no hydrogen 3.160 N/A LEU 221.A N VAL 217.A O no hydrogen 2.938 N/A ILE 222.A N PHE 218.A O no hydrogen 2.953 N/A GLU 223.A N HIS 219.A O no hydrogen 3.186 N/A PHE 228.A N ASN 224.A O no hydrogen 2.826 N/A ASP 229.A N HIS 225.A O no hydrogen 2.897 N/A CYS 231.A N LEU 227.A O no hydrogen 2.934 N/A CYS 237.A N ALA 233.A O no hydrogen 3.175 N/A SER 238.A N PRO 234.A O no hydrogen 2.897 N/A LEU 239.A N SER 235.A O no hydrogen 2.901 N/A VAL 240.A N VAL 236.A O no hydrogen 2.925 N/A CYS 241.A N CYS 237.A O no hydrogen 2.918 N/A CYS 241.A SG LEU 203.A O no hydrogen 3.888 N/A CYS 241.A SG ASN 207.A OD1 no hydrogen 3.203 N/A CYS 241.A SG CYS 237.A O no hydrogen 3.161 N/A GLU 242.A N SER 238.A O no hydrogen 2.900 N/A ALA 243.A N LEU 239.A O no hydrogen 2.908 N/A LEU 244.A N VAL 240.A O no hydrogen 2.913 N/A GLN 245.A N CYS 241.A O no hydrogen 2.916 N/A LEU 246.A N GLU 242.A O no hydrogen 2.964 N/A GLN 247.A N ALA 243.A O no hydrogen 3.029 N/A GLN 247.A NE2 LEU 256.A O no hydrogen 3.597 N/A LYS 248.A N LEU 244.A O no hydrogen 3.381 N/A LYS 249.A N GLN 245.A O no hydrogen 3.214 N/A LEU 250.A N LEU 246.A O no hydrogen 2.823 N/A THR 255.A OG1 ASP 392.A OD2 no hydrogen 3.400 N/A THR 262.A OG1 GLU 441.A OE2 no hydrogen 3.155 N/A LEU 264.A N THR 260.A O no hydrogen 3.393 N/A TYR 265.A N LEU 261.A O no hydrogen 3.069 N/A ALA 266.A N THR 262.A O no hydrogen 3.083 N/A THR 267.A N GLY 263.A O no hydrogen 3.254 N/A THR 267.A OG1 GLY 263.A O no hydrogen 2.507 N/A LEU 268.A N LEU 264.A O no hydrogen 3.376 N/A VAL 269.A N TYR 265.A O no hydrogen 3.063 N/A PHE 270.A N ALA 266.A O no hydrogen 2.920 N/A HIS 271.A N THR 267.A O no hydrogen 3.308 N/A GLN 272.A N LEU 268.A O no hydrogen 3.126 N/A GLN 272.A NE2 PHE 328.A O no hydrogen 2.796 N/A LEU 273.A N VAL 269.A O no hydrogen 3.397 N/A THR 274.A N HIS 271.A O no hydrogen 3.055 N/A THR 274.A OG1 HIS 271.A O no hydrogen 2.285 N/A LEU 275.A N HIS 271.A O no hydrogen 3.362 N/A LYS 276.A N LEU 273.A O no hydrogen 3.260 N/A LYS 276.A NZ ALA 326.A O no hydrogen 2.838 N/A ARG 277.A NH2 GLU 287.A OE2 no hydrogen 3.484 N/A SER 281.A OG SER 279.A O no hydrogen 3.446 N/A LEU 283.A N LEU 400.A O no hydrogen 3.107 N/A GLN 288.A N SER 284.A O no hydrogen 3.083 N/A GLN 288.A NE2 LEU 283.A O no hydrogen 3.351 N/A ILE 289.A N GLN 285.A O no hydrogen 3.353 N/A THR 290.A N GLU 286.A O no hydrogen 3.181 N/A THR 290.A OG1 GLU 286.A O no hydrogen 3.475 N/A THR 290.A OG1 GLU 323.A OE1 no hydrogen 3.423 N/A LEU 291.A N GLU 287.A O no hydrogen 2.962 N/A VAL 292.A N GLN 288.A O no hydrogen 2.927 N/A GLY 293.A N ILE 289.A O no hydrogen 2.877 N/A LEU 294.A N THR 290.A O no hydrogen 2.943 N/A CYS 295.A N LEU 291.A O no hydrogen 2.958 N/A CYS 295.A SG LEU 291.A O no hydrogen 3.272 N/A MET 296.A N VAL 292.A O no hydrogen 2.893 N/A MET 297.A N GLY 293.A O no hydrogen 2.895 N/A ALA 298.A N LEU 294.A O no hydrogen 2.977 N/A ALA 299.A N CYS 295.A O no hydrogen 2.933 N/A GLU 300.A N MET 296.A O no hydrogen 2.931 N/A GLY 301.A N MET 297.A O no hydrogen 2.927 N/A VAL 302.A N ALA 298.A O no hydrogen 2.927 N/A TRP 303.A N ALA 299.A O no hydrogen 2.956 N/A THR 304.A N GLU 300.A O no hydrogen 2.904 N/A THR 304.A OG1 GLU 300.A O no hydrogen 2.750 N/A ARG 306.A N GLY 301.A O no hydrogen 2.946 N/A TYR 310.A OH ILE 86.A O no hydrogen 3.125 N/A ASP 313.A N TYR 310.A O no hydrogen 3.053 N/A LEU 314.A N TYR 310.A O no hydrogen 3.299 N/A LYS 315.A N ASP 311.A O no hydrogen 3.207 N/A ASN 316.A N ASP 312.A O no hydrogen 3.208 N/A ASN 316.A N ASP 313.A O no hydrogen 3.316 N/A TYR 317.A N LEU 314.A O no hydrogen 3.270 N/A TYR 317.A OH GLU 300.A OE1 no hydrogen 2.260 N/A SER 318.A N LYS 315.A O no hydrogen 3.312 N/A SER 318.A OG TYR 317.A O no hydrogen 2.675 N/A SER 318.A OG SER 318.A O no hydrogen 2.453 N/A LEU 319.A N LEU 314.A O no hydrogen 3.096 N/A LYS 320.A NZ LEU 319.A O no hydrogen 3.547 N/A ILE 324.A N LYS 320.A O no hydrogen 3.228 N/A LEU 325.A N GLU 321.A O no hydrogen 2.906 N/A ALA 326.A N SER 322.A O no hydrogen 2.899 N/A LEU 327.A N ILE 324.A O no hydrogen 3.275 N/A PHE 328.A N ILE 324.A O no hydrogen 3.275 N/A HIS 329.A N LEU 325.A O no hydrogen 3.091 N/A VAL 336.A N CYS 343.A O no hydrogen 2.881 N/A SER 340.A OG GLU 341.A OE1 no hydrogen 3.477 N/A CYS 343.A N VAL 336.A O no hydrogen 3.381 N/A CYS 343.A SG ARG 84.A O no hydrogen 3.782 N/A TYR 344.A N VAL 308.A O no hydrogen 3.079 N/A VAL 345.A N LEU 334.A O no hydrogen 2.946 N/A SER 347.A OG ASN 331.A O no hydrogen 3.529 N/A SER 350.A N HIS 348.A ND1 no hydrogen 3.283 N/A SER 350.A OG HIS 348.A ND1 no hydrogen 3.224 N/A LEU 351.A N HIS 348.A O no hydrogen 3.118 N/A GLN 352.A NE2 ARG 306.A O no hydrogen 3.637 N/A ASP 353.A N LEU 349.A O no hydrogen 2.942 N/A PHE 354.A N SER 350.A O no hydrogen 2.881 N/A PHE 355.A N LEU 351.A O no hydrogen 2.946 N/A ALA 356.A N GLN 352.A O no hydrogen 2.893 N/A ALA 357.A N ASP 353.A O no hydrogen 2.918 N/A LEU 358.A N PHE 354.A O no hydrogen 2.909 N/A TYR 359.A N PHE 355.A O no hydrogen 2.969 N/A TYR 360.A N ALA 357.A O no hydrogen 3.368 N/A VAL 361.A N LEU 358.A O no hydrogen 3.091 N/A TRP 368.A NE1 LEU 362.A O no hydrogen 3.016 N/A LEU 379.A N THR 376.A O no hydrogen 3.253 N/A LYS 382.A N LEU 378.A O no hydrogen 3.176 N/A ARG 383.A N LEU 379.A O no hydrogen 2.936 N/A PHE 384.A N GLY 380.A O no hydrogen 2.928 N/A LEU 385.A N MET 381.A O no hydrogen 2.871 N/A PHE 386.A N LYS 382.A O no hydrogen 2.947 N/A GLY 387.A N ARG 383.A O no hydrogen 2.916 N/A LEU 388.A N PHE 384.A O no hydrogen 2.917 N/A MET 389.A N PHE 386.A O no hydrogen 3.475 N/A ASN 390.A N GLY 387.A O no hydrogen 3.410 N/A ASN 390.A ND2 GLN 443.A O no hydrogen 3.152 N/A LYS 391.A NZ ASP 444.A OD2 no hydrogen 2.497 N/A ILE 393.A N ASN 390.A O no hydrogen 3.263 N/A LEU 394.A N ASN 390.A O no hydrogen 3.477 N/A LYS 395.A N LYS 391.A O no hydrogen 3.231 N/A THR 396.A OG1 ASP 392.A O no hydrogen 3.547 N/A LEU 397.A N ILE 393.A O no hydrogen 2.968 N/A GLU 398.A N LEU 394.A O no hydrogen 2.871 N/A VAL 399.A N LYS 395.A O no hydrogen 2.908 N/A LEU 400.A N THR 396.A O no hydrogen 2.955 N/A PHE 401.A N LEU 397.A O no hydrogen 2.898 N/A GLU 402.A N GLU 398.A O no hydrogen 2.937 N/A GLN 411.A N THR 408.A O no hydrogen 3.275 N/A LEU 413.A N VAL 409.A O no hydrogen 2.945 N/A GLN 414.A N GLU 410.A O no hydrogen 2.962 N/A GLN 414.A NE2 PHE 447.A O no hydrogen 3.682 N/A HIS 415.A N GLN 411.A O no hydrogen 2.877 N/A TRP 416.A N LYS 412.A O no hydrogen 2.928 N/A VAL 417.A N LEU 413.A O no hydrogen 2.985 N/A SER 418.A N GLN 414.A O no hydrogen 2.903 N/A LEU 419.A N HIS 415.A O no hydrogen 2.929 N/A ILE 420.A N VAL 417.A O no hydrogen 3.305 N/A ALA 421.A N SER 418.A O no hydrogen 3.160 N/A GLN 423.A NE2 LEU 419.A O no hydrogen 3.236 N/A ASN 425.A ND2 VAL 424.A O no hydrogen 3.160 N/A SER 428.A OG ASP 431.A OD2 no hydrogen 2.279 N/A THR 432.A N SER 428.A O no hydrogen 3.320 N/A THR 432.A OG1 SER 428.A O no hydrogen 2.919 N/A LEU 433.A N PRO 429.A O no hydrogen 2.915 N/A ASP 434.A N MET 430.A O no hydrogen 2.940 N/A ALA 435.A N ASP 431.A O no hydrogen 2.906 N/A PHE 436.A N THR 432.A O no hydrogen 2.918 N/A TYR 437.A N LEU 433.A O no hydrogen 2.917 N/A TYR 437.A OH ASP 467.A OD1 no hydrogen 2.326 N/A CYS 438.A N ASP 434.A O no hydrogen 2.935 N/A CYS 438.A SG ASP 434.A O no hydrogen 3.425 N/A LEU 439.A N ALA 435.A O no hydrogen 2.910 N/A PHE 440.A N PHE 436.A O no hydrogen 2.944 N/A GLU 441.A N CYS 438.A O no hydrogen 3.254 N/A SER 442.A OG LEU 439.A O no hydrogen 3.272 N/A GLN 443.A NE2 PHE 440.A O no hydrogen 2.759 N/A ASP 444.A N SER 442.A O no hydrogen 2.688 N/A GLU 446.A N GLU 446.A OE1 no hydrogen 2.902 N/A VAL 448.A N ASP 444.A O no hydrogen 3.439 N/A GLY 449.A N GLU 445.A O no hydrogen 2.744 N/A GLY 450.A N GLU 446.A O no hydrogen 2.901 N/A ALA 451.A N PHE 447.A O no hydrogen 2.952 N/A VAL 458.A N ALA 483.A O no hydrogen 3.176 N/A TRP 459.A NE1 ASP 487.A OD2 no hydrogen 2.876 N/A LEU 460.A N ARG 485.A O no hydrogen 2.874 N/A ILE 462.A N ASP 487.A O no hydrogen 3.030 N/A ASN 463.A N ASP 467.A OD2 no hydrogen 3.449 N/A LYS 465.A NZ GLU 223.A OE2 no hydrogen 3.347 N/A LEU 468.A N GLN 464.A O no hydrogen 3.404 N/A LYS 469.A N LYS 465.A O no hydrogen 2.990 N/A VAL 470.A N MET 466.A O no hydrogen 2.914 N/A SER 471.A N ASP 467.A O no hydrogen 2.936 N/A SER 471.A OG ASP 467.A O no hydrogen 2.553 N/A SER 472.A N LEU 468.A O no hydrogen 2.907 N/A TYR 473.A N LYS 469.A O no hydrogen 2.938 N/A CYS 474.A N VAL 470.A O no hydrogen 2.930 N/A CYS 474.A SG PHE 436.A O no hydrogen 3.601 N/A LEU 475.A N SER 471.A O no hydrogen 2.887 N/A HIS 477.A N CYS 474.A O no hydrogen 3.259 N/A CYS 478.A SG CYS 474.A O no hydrogen 3.793 N/A GLN 479.A N HIS 477.A O no hydrogen 2.984 N/A ASN 480.A ND2 LYS 453.A O no hydrogen 3.191 N/A ILE 484.A N GLU 534.A O no hydrogen 3.345 N/A ARG 485.A N VAL 458.A O no hydrogen 3.116 N/A ARG 485.A NE ASP 487.A OD1 no hydrogen 3.559 N/A VAL 486.A N ASP 536.A O no hydrogen 3.216 N/A ASP 487.A N LEU 460.A O no hydrogen 2.934 N/A SER 493.A OG ASP 490.A O no hydrogen 3.372 N/A TRP 518.A N LEU 514.A O no hydrogen 3.232 N/A TRP 519.A N LEU 515.A O no hydrogen 2.916 N/A TRP 519.A NE1 ALA 546.A O no hydrogen 3.171 N/A GLY 520.A N MET 516.A O no hydrogen 2.903 N/A ASN 521.A N GLU 517.A O no hydrogen 2.907 N/A PHE 522.A N TRP 518.A O no hydrogen 2.965 N/A CYS 523.A N TRP 519.A O no hydrogen 2.930 N/A CYS 523.A SG TRP 519.A O no hydrogen 3.353 N/A SER 524.A N GLY 520.A O no hydrogen 2.902 N/A SER 524.A OG ASN 521.A O no hydrogen 3.018 N/A VAL 525.A N ASN 521.A O no hydrogen 2.956 N/A LEU 526.A N PHE 522.A O no hydrogen 2.957 N/A GLY 527.A N CYS 523.A O no hydrogen 2.890 N/A SER 528.A N VAL 525.A O no hydrogen 3.285 N/A SER 528.A OG SER 524.A O no hydrogen 3.100 N/A SER 528.A OG VAL 525.A O no hydrogen 2.819 N/A ASN 531.A ND2 GLN 479.A O no hydrogen 3.118 N/A LYS 533.A N LYS 482.A O no hydrogen 3.488 N/A LEU 535.A N LYS 563.A O no hydrogen 3.218 N/A ASP 536.A N ILE 484.A O no hydrogen 3.351 N/A GLY 538.A N ASP 536.A OD2 no hydrogen 2.484 N/A ASP 539.A N ASP 487.A OD1 no hydrogen 3.391 N/A SER 540.A OG LEU 537.A O no hydrogen 2.334 N/A ILE 541.A N ILE 488.A O no hydrogen 3.310 N/A LEU 542.A N GLU 570.A O no hydrogen 3.361 N/A SER 543.A OG LEU 492.A O no hydrogen 3.297 N/A MET 547.A N SER 543.A O no hydrogen 3.447 N/A LYS 548.A N GLN 544.A O no hydrogen 2.941 N/A ILE 549.A N ARG 545.A O no hydrogen 2.945 N/A LEU 550.A N ALA 546.A O no hydrogen 2.953 N/A CYS 551.A N MET 547.A O no hydrogen 2.912 N/A CYS 551.A SG MET 547.A O no hydrogen 3.489 N/A LEU 552.A N LYS 548.A O no hydrogen 2.943 N/A GLU 553.A N ILE 549.A O no hydrogen 2.953 N/A LEU 554.A N LEU 550.A O no hydrogen 2.915 N/A ARG 555.A N CYS 551.A O no hydrogen 2.924 N/A ASN 556.A N GLU 553.A O no hydrogen 3.384 N/A GLN 557.A N ASN 556.A OD1 no hydrogen 3.026 N/A GLN 562.A N LYS 533.A O no hydrogen 3.166 N/A LYS 563.A N LYS 533.A O no hydrogen 3.366 N/A LEU 564.A N TYR 590.A O no hydrogen 3.109 N/A PHE 566.A N ASN 592.A O no hydrogen 3.049 N/A ALA 569.A N PHE 566.A O no hydrogen 3.527 N/A GLU 570.A N SER 540.A O no hydrogen 3.158 N/A GLY 574.A N VAL 571.A O no hydrogen 3.281 N/A LYS 576.A NZ ASP 602.A OD1 no hydrogen 3.201 N/A LEU 578.A N GLY 574.A O no hydrogen 2.972 N/A TRP 579.A N LEU 575.A O no hydrogen 2.883 N/A LYS 580.A N LYS 576.A O no hydrogen 2.973 N/A LEU 581.A N HIS 577.A O no hydrogen 2.898 N/A LEU 582.A N TRP 579.A O no hydrogen 3.195 N/A SER 584.A N LEU 581.A O no hydrogen 3.201 N/A ASN 585.A N LEU 581.A O no hydrogen 3.332 N/A LYS 589.A N GLN 562.A O no hydrogen 3.264 N/A LEU 591.A N THR 619.A O no hydrogen 3.187 N/A ASN 592.A N LEU 564.A O no hydrogen 3.011 N/A LEU 593.A N ARG 621.A O no hydrogen 3.281 N/A ASN 595.A N ASP 623.A O no hydrogen 3.108 N/A THR 596.A OG1 LEU 593.A O no hydrogen 3.473 N/A MET 603.A N LYS 599.A O no hydrogen 3.155 N/A LYS 604.A N ASP 600.A O no hydrogen 2.928 N/A LEU 605.A N ASP 601.A O no hydrogen 2.909 N/A ALA 606.A N ASP 602.A O no hydrogen 2.907 N/A CYS 607.A N MET 603.A O no hydrogen 2.937 N/A CYS 607.A SG MET 603.A O no hydrogen 3.203 N/A GLU 608.A N LYS 604.A O no hydrogen 2.939 N/A ALA 609.A N LEU 605.A O no hydrogen 2.887 N/A LEU 610.A N ALA 606.A O no hydrogen 2.913 N/A LYS 611.A N CYS 607.A O no hydrogen 2.955 N/A LYS 611.A NZ CYS 607.A O no hydrogen 3.241 N/A HIS 612.A N ALA 609.A O no hydrogen 2.990 N/A LYS 614.A N HIS 612.A ND1 no hydrogen 3.085 N/A CYS 615.A N HIS 612.A O no hydrogen 3.354 N/A SER 616.A OG SER 616.A O no hydrogen 2.377 N/A LEU 620.A N CYS 647.A O no hydrogen 3.120 N/A ARG 621.A N LEU 591.A O no hydrogen 3.324 N/A LEU 622.A N SER 649.A O no hydrogen 3.208 N/A ASP 623.A N ASP 623.A OD2 no hydrogen 2.346 N/A SER 624.A N ALA 651.A O no hydrogen 3.279 N/A CYS 625.A SG LEU 593.A O no hydrogen 3.131 N/A CYS 625.A SG THR 596.A O no hydrogen 3.206 N/A CYS 625.A SG ASP 623.A O no hydrogen 3.574 N/A GLY 631.A N THR 628.A OG1 no hydrogen 3.302 N/A TYR 632.A N THR 628.A O no hydrogen 3.027 N/A TYR 632.A OH ARG 654.A O no hydrogen 3.211 N/A GLU 633.A N ILE 629.A O no hydrogen 2.933 N/A MET 634.A N ILE 630.A O no hydrogen 2.913 N/A ILE 635.A N GLY 631.A O no hydrogen 2.873 N/A SER 636.A N TYR 632.A O no hydrogen 2.928 N/A SER 636.A OG TYR 632.A O no hydrogen 2.758 N/A THR 637.A N GLU 633.A O no hydrogen 2.944 N/A THR 637.A OG1 GLU 633.A O no hydrogen 2.749 N/A LEU 638.A N MET 634.A O no hydrogen 2.885 N/A LEU 639.A N ILE 635.A O no hydrogen 2.911 N/A ILE 640.A N SER 636.A O no hydrogen 2.957 N/A SER 641.A N THR 637.A O no hydrogen 3.162 N/A SER 641.A N LEU 638.A O no hydrogen 3.245 N/A SER 641.A OG THR 637.A O no hydrogen 2.733 N/A THR 643.A OG1 LEU 638.A O no hydrogen 3.193 N/A LYS 646.A N GLU 618.A O no hydrogen 2.866 N/A LYS 646.A NZ LEU 673.A O no hydrogen 3.489 N/A CYS 647.A N GLU 618.A O no hydrogen 3.200 N/A LEU 648.A N LYS 676.A O no hydrogen 3.203 N/A SER 649.A N LEU 620.A O no hydrogen 3.298 N/A LEU 650.A N ILE 678.A O no hydrogen 3.295 N/A LYS 652.A N ASP 680.A O no hydrogen 3.346 N/A ASN 653.A ND2 LEU 622.A O no hydrogen 3.589 N/A SER 659.A OG GLY 656.A O no hydrogen 2.861 N/A MET 660.A N GLY 656.A O no hydrogen 2.866 N/A ILE 661.A N VAL 657.A O no hydrogen 2.915 N/A SER 662.A N LYS 658.A O no hydrogen 2.987 N/A LEU 663.A N SER 659.A O no hydrogen 2.901 N/A GLY 664.A N MET 660.A O no hydrogen 2.884 N/A ASN 665.A N ILE 661.A O no hydrogen 2.879 N/A ALA 666.A N SER 662.A O no hydrogen 2.961 N/A LEU 667.A N LEU 663.A O no hydrogen 2.884 N/A SER 668.A N GLY 664.A O no hydrogen 2.926 N/A SER 668.A OG GLY 664.A O no hydrogen 3.507 N/A SER 668.A OG ASN 665.A O no hydrogen 3.442 N/A GLN 675.A N LYS 646.A O no hydrogen 2.833 N/A LYS 676.A N LYS 646.A O no hydrogen 3.160 N/A LEU 677.A N HIS 704.A O no hydrogen 3.219 N/A ILE 678.A N LEU 648.A O no hydrogen 3.298 N/A LEU 679.A N CYS 706.A O no hydrogen 3.138 N/A CYS 682.A SG LEU 650.A O no hydrogen 3.157 N/A CYS 682.A SG ASN 653.A O no hydrogen 3.859 N/A CYS 682.A SG ASP 680.A O no hydrogen 3.863 N/A THR 685.A OG1 SER 688.A OG no hydrogen 2.660 N/A SER 688.A N THR 685.A OG1 no hydrogen 3.186 N/A SER 688.A OG THR 685.A OG1 no hydrogen 2.660 N/A CYS 689.A N THR 685.A O no hydrogen 2.689 N/A CYS 689.A SG SER 711.A O no hydrogen 3.859 N/A HIS 690.A N PRO 686.A O no hydrogen 2.897 N/A LEU 691.A N ALA 687.A O no hydrogen 2.944 N/A LEU 692.A N SER 688.A O no hydrogen 2.877 N/A VAL 693.A N CYS 689.A O no hydrogen 2.936 N/A SER 694.A N HIS 690.A O no hydrogen 2.929 N/A SER 694.A OG HIS 690.A O no hydrogen 2.687 N/A ALA 695.A N LEU 691.A O no hydrogen 2.923 N/A LEU 696.A N LEU 692.A O no hydrogen 2.887 N/A PHE 697.A N SER 694.A O no hydrogen 3.396 N/A SER 698.A OG ALA 695.A O no hydrogen 3.532 N/A ASN 699.A N LEU 696.A O no hydrogen 2.986 N/A ASN 699.A ND2 LEU 667.A O no hydrogen 3.221 N/A ASN 701.A N ASN 699.A OD1 no hydrogen 2.619 N/A LEU 702.A N ASN 699.A OD1 no hydrogen 2.978 N/A THR 703.A N GLN 675.A O no hydrogen 2.985 N/A THR 703.A OG1 HIS 704.A ND1 no hydrogen 2.861 N/A HIS 704.A N GLN 675.A O no hydrogen 3.342 N/A HIS 704.A ND1 THR 703.A OG1 no hydrogen 2.861 N/A LEU 705.A N ARG 733.A O no hydrogen 3.219 N/A CYS 706.A N LEU 677.A O no hydrogen 3.210 N/A LEU 707.A N ILE 735.A O no hydrogen 3.056 N/A SER 708.A OG ASN 709.A OD1 no hydrogen 2.821 N/A ASN 710.A ND2 LEU 679.A O no hydrogen 2.945 N/A VAL 717.A N GLY 713.A O no hydrogen 3.106 N/A GLN 718.A N THR 714.A O no hydrogen 2.929 N/A GLN 719.A N GLU 715.A O no hydrogen 2.885 N/A LEU 720.A N GLY 716.A O no hydrogen 2.885 N/A CYS 721.A N VAL 717.A O no hydrogen 2.915 N/A CYS 721.A SG VAL 717.A O no hydrogen 3.466 N/A GLN 722.A N GLN 718.A O no hydrogen 2.900 N/A PHE 723.A N GLN 719.A O no hydrogen 2.892 N/A LEU 724.A N LEU 720.A O no hydrogen 2.899 N/A ARG 725.A N GLN 722.A O no hydrogen 3.262 N/A ARG 725.A NE GLN 722.A OE1 no hydrogen 3.455 N/A CYS 729.A SG PHE 723.A O no hydrogen 3.911 N/A GLN 732.A N THR 703.A O no hydrogen 2.807 N/A ARG 733.A N THR 703.A O no hydrogen 3.309 N/A ARG 733.A NH1 ASP 943.A O no hydrogen 2.674 N/A ARG 733.A NH2 ASP 943.A O no hydrogen 2.768 N/A ILE 735.A N LEU 705.A O no hydrogen 3.212 N/A LEU 736.A N SER 763.A O no hydrogen 3.275 N/A CYS 739.A SG LEU 707.A O no hydrogen 2.905 N/A ALA 745.A N VAL 742.A O no hydrogen 3.499 N/A TYR 746.A N ASP 743.A O no hydrogen 3.125 N/A TYR 746.A OH ILE 741.A O no hydrogen 2.652 N/A PHE 748.A N ASP 744.A O no hydrogen 2.992 N/A LEU 749.A N ALA 745.A O no hydrogen 3.038 N/A ALA 750.A N TYR 746.A O no hydrogen 2.941 N/A MET 751.A N GLY 747.A O no hydrogen 3.059 N/A ARG 752.A N PHE 748.A O no hydrogen 2.906 N/A LEU 753.A N LEU 749.A O no hydrogen 2.891 N/A ALA 754.A N ALA 750.A O no hydrogen 2.914 N/A THR 760.A N GLN 732.A O no hydrogen 3.176 N/A THR 760.A OG1 HIS 761.A ND1 no hydrogen 2.916 N/A HIS 761.A ND1 THR 760.A OG1 no hydrogen 2.916 N/A LEU 762.A N GLU 790.A O no hydrogen 3.342 N/A SER 763.A N LEU 734.A O no hydrogen 3.417 N/A SER 763.A OG ASN 737.A OD1 no hydrogen 2.444 N/A SER 763.A OG THR 765.A OG1 no hydrogen 3.415 N/A LEU 764.A N GLU 792.A O no hydrogen 3.192 N/A THR 765.A OG1 SER 763.A OG no hydrogen 3.415 N/A THR 765.A OG1 GLU 792.A OE2 no hydrogen 3.554 N/A ASN 767.A ND2 LEU 736.A O no hydrogen 3.304 N/A VAL 769.A N ASN 767.A O no hydrogen 2.782 N/A MET 774.A N GLY 770.A O no hydrogen 3.237 N/A LYS 775.A N ASP 771.A O no hydrogen 2.922 N/A LYS 775.A NZ ASP 805.A OD2 no hydrogen 2.451 N/A LEU 777.A N ALA 773.A O no hydrogen 2.932 N/A CYS 778.A N MET 774.A O no hydrogen 2.878 N/A CYS 778.A SG ASP 805.A O no hydrogen 3.916 N/A GLU 779.A N LYS 775.A O no hydrogen 2.939 N/A ALA 780.A N LEU 776.A O no hydrogen 2.893 N/A LEU 781.A N LEU 777.A O no hydrogen 2.909 N/A LYS 782.A N CYS 778.A O no hydrogen 2.932 N/A LYS 782.A N GLU 779.A O no hydrogen 3.344 N/A LYS 782.A NZ GLU 779.A OE1 no hydrogen 3.500 N/A GLU 783.A N ALA 780.A O no hydrogen 3.454 N/A THR 785.A OG1 ALA 754.A O no hydrogen 2.793 N/A CYS 786.A SG LEU 753.A O no hydrogen 3.241 N/A GLN 789.A N THR 760.A O no hydrogen 2.706 N/A GLU 790.A N THR 760.A O no hydrogen 3.149 N/A LEU 793.A N ASP 820.A O no hydrogen 3.139 N/A CYS 796.A SG LEU 764.A O no hydrogen 3.224 N/A THR 799.A OG1 ASP 771.A OD1 no hydrogen 3.226 N/A THR 799.A OG1 ASP 771.A OD2 no hydrogen 2.904 N/A THR 799.A OG1 ASN 801.A OD1 no hydrogen 3.228 N/A CYS 802.A SG THR 799.A O no hydrogen 3.514 N/A CYS 803.A N GLN 800.A O no hydrogen 3.445 N/A CYS 803.A SG GLY 830.A O no hydrogen 3.431 N/A GLU 804.A N GLU 804.A OE1 no hydrogen 2.325 N/A LEU 806.A N CYS 802.A O no hydrogen 2.918 N/A ALA 807.A N CYS 803.A O no hydrogen 2.879 N/A CYS 808.A N GLU 804.A O no hydrogen 2.937 N/A MET 809.A N ASP 805.A O no hydrogen 2.909 N/A ILE 810.A N LEU 806.A O no hydrogen 2.878 N/A THR 811.A N ALA 807.A O no hydrogen 2.940 N/A THR 811.A OG1 ALA 807.A O no hydrogen 3.293 N/A THR 811.A OG1 GLN 840.A OE1 no hydrogen 2.514 N/A THR 812.A N CYS 808.A O no hydrogen 2.934 N/A THR 812.A OG1 CYS 808.A O no hydrogen 2.600 N/A THR 812.A OG1 MET 809.A O no hydrogen 3.267 N/A THR 813.A N MET 809.A O no hydrogen 2.734 N/A THR 813.A OG1 MET 809.A O no hydrogen 2.412 N/A LYS 814.A NZ THR 812.A O no hydrogen 3.569 N/A LYS 817.A N GLN 789.A O no hydrogen 3.191 N/A LEU 819.A N ARG 847.A O no hydrogen 3.276 N/A ASP 820.A N LEU 791.A O no hydrogen 3.412 N/A LEU 821.A N GLY 849.A O no hydrogen 3.156 N/A ASN 823.A N VAL 794.A O no hydrogen 2.437 N/A LEU 826.A N ASN 824.A O no hydrogen 2.901 N/A ILE 832.A N ASP 828.A O no hydrogen 2.906 N/A THR 833.A N LYS 829.A O no hydrogen 2.927 N/A THR 833.A OG1 LYS 829.A O no hydrogen 2.648 N/A LEU 834.A N GLY 830.A O no hydrogen 2.892 N/A CYS 835.A N VAL 831.A O no hydrogen 2.842 N/A CYS 835.A SG VAL 831.A O no hydrogen 3.258 N/A GLU 836.A N ILE 832.A O no hydrogen 2.940 N/A GLY 837.A N LEU 834.A O no hydrogen 3.199 N/A LEU 838.A N LEU 834.A O no hydrogen 2.899 N/A LYS 839.A N CYS 835.A O no hydrogen 2.906 N/A SER 841.A N LEU 838.A O no hydrogen 3.221 N/A SER 841.A OG GLN 840.A O no hydrogen 2.605 N/A SER 842.A OG THR 811.A O no hydrogen 3.209 N/A SER 843.A OG ILE 810.A O no hydrogen 2.535 N/A SER 843.A OG THR 811.A O no hydrogen 3.337 N/A SER 843.A OG THR 813.A O no hydrogen 2.337 N/A SER 844.A OG SER 844.A O no hydrogen 2.555 N/A ARG 847.A NH1 SER 818.A OG no hydrogen 3.103 N/A LEU 848.A N SER 875.A O no hydrogen 3.481 N/A GLY 849.A N LEU 819.A O no hydrogen 3.205 N/A LEU 850.A N ASN 877.A O no hydrogen 3.336 N/A ALA 852.A N VAL 879.A O no hydrogen 3.053 N/A CYS 853.A SG LEU 821.A O no hydrogen 3.471 N/A CYS 853.A SG ASN 824.A O no hydrogen 3.756 N/A CYS 853.A SG GLY 851.A O no hydrogen 3.557 N/A LEU 855.A N ASN 881.A OD1 no hydrogen 3.462 N/A THR 856.A OG1 ASP 828.A OD2 no hydrogen 3.052 N/A THR 856.A OG1 ASN 858.A OD1 no hydrogen 2.861 N/A SER 857.A OG SER 857.A O no hydrogen 2.624 N/A SER 857.A OG SER 884.A OG no hydrogen 2.596 N/A ASN 858.A N THR 856.A OG1 no hydrogen 3.264 N/A CYS 859.A SG ASP 828.A OD1 no hydrogen 3.196 N/A CYS 859.A SG THR 856.A O no hydrogen 3.978 N/A LEU 863.A N CYS 859.A O no hydrogen 2.920 N/A SER 864.A N CYS 860.A O no hydrogen 2.868 N/A SER 864.A OG GLU 861.A O no hydrogen 3.203 N/A LEU 865.A N GLU 861.A O no hydrogen 2.928 N/A ALA 866.A N ALA 862.A O no hydrogen 2.911 N/A ILE 867.A N LEU 863.A O no hydrogen 2.947 N/A CYS 869.A SG LEU 865.A O no hydrogen 3.615 N/A LEU 876.A N ILE 904.A O no hydrogen 3.342 N/A LEU 878.A N GLY 906.A O no hydrogen 3.266 N/A ASN 881.A ND2 LEU 850.A O no hydrogen 3.228 N/A ASP 882.A N LEU 855.A O no hydrogen 3.265 N/A SER 884.A OG SER 857.A OG no hydrogen 2.596 N/A MET 888.A N SER 884.A O no hydrogen 3.124 N/A LEU 889.A N THR 885.A O no hydrogen 2.893 N/A LYS 890.A N SER 886.A O no hydrogen 2.937 N/A LEU 891.A N GLY 887.A O no hydrogen 2.913 N/A CYS 892.A N MET 888.A O no hydrogen 2.902 N/A CYS 892.A SG MET 888.A O no hydrogen 3.225 N/A SER 893.A N LEU 889.A O no hydrogen 2.912 N/A ALA 894.A N LYS 890.A O no hydrogen 2.939 N/A PHE 895.A N LEU 891.A O no hydrogen 2.890 N/A GLN 896.A N CYS 892.A O no hydrogen 2.940 N/A CYS 897.A N ALA 894.A O no hydrogen 3.282 N/A CYS 897.A SG SER 868.A O no hydrogen 3.849 N/A SER 900.A OG PHE 895.A O no hydrogen 3.466 N/A SER 900.A OG CYS 897.A O no hydrogen 3.536 N/A GLY 903.A N ASN 874.A O no hydrogen 2.747 N/A ILE 904.A N ASN 874.A O no hydrogen 3.301 N/A ILE 905.A N VAL 931.A O no hydrogen 3.082 N/A GLY 906.A N LEU 876.A O no hydrogen 3.133 N/A LYS 909.A NZ GLU 924.A OE2 no hydrogen 3.039 N/A ARG 917.A N TYR 913.A O no hydrogen 3.159 N/A ARG 917.A NE TYR 912.A O no hydrogen 3.115 N/A ARG 918.A N ALA 914.A O no hydrogen 2.907 N/A GLN 919.A N ARG 915.A O no hydrogen 2.961 N/A LEU 920.A N VAL 916.A O no hydrogen 2.889 N/A GLU 921.A N ARG 917.A O no hydrogen 2.915 N/A GLU 922.A N ARG 918.A O no hydrogen 2.928 N/A VAL 923.A N GLN 919.A O no hydrogen 2.891 N/A GLU 924.A N LEU 920.A O no hydrogen 2.932 N/A PHE 925.A N GLU 921.A O no hydrogen 2.895 N/A VAL 926.A N GLU 922.A O no hydrogen 2.926 N/A LYS 927.A N VAL 923.A O no hydrogen 3.195 N/A LYS 927.A NZ CYS 897.A O no hydrogen 3.298 N/A VAL 931.A N GLY 903.A O no hydrogen 3.273 N/A ASP 933.A N ILE 905.A O no hydrogen 3.288 N/A TRP 936.A NE1 SER 875.A OG no hydrogen 2.792 N/A TYR 937.A OH ASP 820.A OD2 no hydrogen 2.930 N/A ARG 944.A NH1 SER 939.A O no hydrogen 3.255 N/A ARG 944.A NH2 ASP 942.A OD1 no hydrogen 3.500 N/A LYS 948.A N ASN 945.A O no hydrogen 3.243 N/A