Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w1c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 271.A OE1 no hydrogen 2.847 N/A SER 2.A OG GLU 271.A OE2 no hydrogen 2.811 N/A ASP 3.A N GLY 270.A O no hydrogen 2.969 N/A LEU 8.A N SER 4.A O no hydrogen 3.008 N/A SER 9.A N GLY 5.A O no hydrogen 2.937 N/A SER 9.A OG GLY 5.A O no hydrogen 2.664 N/A VAL 10.A N PRO 6.A O no hydrogen 2.897 N/A PHE 11.A N LEU 7.A O no hydrogen 2.950 N/A ALA 12.A N LEU 8.A O no hydrogen 2.890 N/A LEU 13.A N SER 9.A O no hydrogen 2.919 N/A GLN 14.A N VAL 10.A O no hydrogen 2.914 N/A GLU 15.A N PHE 11.A O no hydrogen 2.951 N/A ILE 16.A N ALA 12.A O no hydrogen 2.925 N/A MET 17.A N LEU 13.A O no hydrogen 2.864 N/A GLN 18.A N GLN 14.A O no hydrogen 2.918 N/A LYS 19.A N GLU 15.A O no hydrogen 2.939 N/A VAL 20.A N ILE 16.A O no hydrogen 2.916 N/A ARG 21.A N MET 17.A O no hydrogen 2.907 N/A GLN 24.A NE2 VAL 23.A O no hydrogen 2.920 N/A ILE 37.A N ASP 33.A O no hydrogen 3.277 N/A LEU 38.A N VAL 34.A O no hydrogen 2.892 N/A ASP 39.A N GLN 35.A O no hydrogen 2.917 N/A ASP 40.A N LYS 36.A O no hydrogen 2.887 N/A ILE 41.A N ILE 37.A O no hydrogen 2.918 N/A LYS 42.A N LEU 38.A O no hydrogen 2.910 N/A ALA 43.A N ASP 39.A O no hydrogen 2.910 N/A LEU 44.A N ASP 40.A O no hydrogen 2.893 N/A ALA 45.A N ILE 41.A O no hydrogen 2.909 N/A ALA 46.A N LYS 42.A O no hydrogen 2.913 N/A GLU 47.A N LEU 44.A O no hydrogen 3.122 N/A VAL 53.A N ILE 114.A O no hydrogen 3.024 N/A SER 59.A OG SER 180.A OG no hydrogen 3.157 N/A ARG 61.A N VAL 74.A O no hydrogen 3.047 N/A ARG 61.A NE GLU 79.A OE1 no hydrogen 2.560 N/A ARG 61.A NE GLU 79.A OE2 no hydrogen 3.015 N/A ARG 61.A NH2 GLU 79.A OE2 no hydrogen 2.426 N/A ILE 63.A N LEU 72.A O no hydrogen 3.458 N/A GLN 66.A NE2 VAL 794.A O no hydrogen 3.004 N/A SER 67.A OG ARG 70.A O no hydrogen 2.889 N/A VAL 71.A N VAL 825.A O no hydrogen 3.325 N/A ARG 73.A N GLU 823.A O no hydrogen 2.861 N/A ARG 73.A NH2 GLN 829.A O no hydrogen 3.125 N/A VAL 74.A N ARG 61.A O no hydrogen 2.916 N/A ASP 75.A N ILE 821.A O no hydrogen 3.216 N/A THR 76.A N SER 59.A O no hydrogen 2.854 N/A THR 76.A OG1 SER 59.A O no hydrogen 3.028 N/A TYR 77.A N ASP 75.A OD1 no hydrogen 3.273 N/A TYR 77.A OH ASP 660.A O no hydrogen 3.158 N/A GLU 80.A N THR 76.A O no hydrogen 3.334 N/A MET 81.A N TYR 77.A O no hydrogen 3.357 N/A SER 82.A OG GLU 79.A O no hydrogen 3.423 N/A SER 82.A OG GLN 83.A OE1 no hydrogen 2.663 N/A GLN 83.A N GLU 80.A O no hydrogen 3.219 N/A VAL 84.A N MET 81.A O no hydrogen 2.819 N/A THR 89.A OG1 ASP 91.A OD1 no hydrogen 3.253 N/A GLU 94.A N GLU 92.A OE2 no hydrogen 2.872 N/A TYR 97.A N PRO 93.A O no hydrogen 2.922 N/A TYR 97.A OH ILE 599.A O no hydrogen 2.692 N/A SER 98.A N GLU 94.A O no hydrogen 2.893 N/A THR 99.A N LYS 95.A O no hydrogen 2.905 N/A THR 99.A OG1 ASP 86.A OD1 no hydrogen 3.539 N/A THR 99.A OG1 LYS 95.A O no hydrogen 2.720 N/A ILE 100.A N PHE 96.A O no hydrogen 2.948 N/A ILE 101.A N TYR 97.A O no hydrogen 2.891 N/A LYS 102.A N SER 98.A O no hydrogen 2.919 N/A LYS 103.A N THR 99.A O no hydrogen 2.902 N/A LYS 103.A NZ VAL 84.A O no hydrogen 2.911 N/A VAL 104.A N ILE 100.A O no hydrogen 2.938 N/A ARG 105.A N ILE 101.A O no hydrogen 2.873 N/A ARG 105.A NH1 ASP 583.A OD2 no hydrogen 2.817 N/A ARG 105.A NH2 ASP 583.A OD2 no hydrogen 2.947 N/A PHE 106.A N LYS 102.A O no hydrogen 2.950 N/A ARG 108.A NH1 GLU 648.A OE1 no hydrogen 3.440 N/A GLY 109.A N ARG 105.A O no hydrogen 2.929 N/A LYS 110.A N PHE 106.A O no hydrogen 2.898 N/A GLY 111.A N ILE 107.A O no hydrogen 2.926 N/A SER 112.A OG ARG 108.A O no hydrogen 3.091 N/A SER 112.A OG GLY 109.A O no hydrogen 3.275 N/A ILE 114.A N LYS 51.A O no hydrogen 2.990 N/A HIS 116.A N VAL 53.A O no hydrogen 3.232 N/A HIS 116.A NE2 MET 845.A O no hydrogen 3.120 N/A ASP 117.A N TYR 841.A O no hydrogen 3.089 N/A THR 120.A OG1 GLU 127.A OE2 no hydrogen 2.519 N/A ARG 121.A N VAL 128.A O no hydrogen 3.088 N/A HIS 123.A N MET 126.A O no hydrogen 2.876 N/A MET 126.A N HIS 123.A O no hydrogen 2.869 N/A VAL 128.A N ARG 121.A O no hydrogen 2.759 N/A ALA 129.A N SER 160.A O no hydrogen 3.015 N/A VAL 133.A N GLU 130.A O no hydrogen 3.317 N/A VAL 136.A N LEU 134.A O no hydrogen 2.898 N/A ASN 140.A ND2 HIS 62.A O no hydrogen 2.371 N/A LEU 145.A N LEU 142.A O no hydrogen 3.018 N/A ARG 150.A N THR 146.A O no hydrogen 2.986 N/A ALA 151.A N ALA 147.A O no hydrogen 2.890 N/A MET 152.A N GLU 148.A O no hydrogen 3.399 N/A ILE 153.A N HIS 149.A O no hydrogen 2.942 N/A GLN 154.A N ARG 150.A O no hydrogen 2.897 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 2.898 N/A ASN 155.A N ALA 151.A O no hydrogen 2.882 N/A ALA 156.A N MET 152.A O no hydrogen 2.908 N/A LEU 157.A N ILE 153.A O no hydrogen 2.925 N/A ASP 158.A N GLN 154.A O no hydrogen 2.898 N/A GLY 159.A N ASN 155.A O no hydrogen 3.136 N/A GLY 159.A N ALA 156.A O no hydrogen 3.222 N/A SER 160.A N LEU 157.A O no hydrogen 3.217 N/A ILE 161.A N GLY 159.A O no hydrogen 2.921 N/A ILE 162.A N GLU 127.A O no hydrogen 3.213 N/A GLU 163.A N VAL 174.A O no hydrogen 3.158 N/A GLY 165.A N VAL 172.A O no hydrogen 2.925 N/A VAL 167.A N ARG 170.A O no hydrogen 2.582 N/A ARG 170.A NE GLN 231.A O no hydrogen 2.927 N/A ARG 170.A NH2 ARG 230.A O no hydrogen 2.708 N/A VAL 172.A N GLY 165.A O no hydrogen 2.631 N/A ASP 173.A N ALA 840.A O no hydrogen 2.951 N/A VAL 174.A N GLU 163.A O no hydrogen 3.190 N/A PHE 175.A N PHE 838.A O no hydrogen 3.085 N/A GLY 177.A N ARG 836.A O no hydrogen 2.625 N/A CYS 179.A SG SER 180.A O no hydrogen 3.373 N/A SER 180.A OG SER 59.A OG no hydrogen 3.157 N/A SER 180.A OG ASP 75.A OD1 no hydrogen 3.402 N/A TYR 184.A N SER 180.A O no hydrogen 2.853 N/A TYR 184.A OH ARG 837.A O no hydrogen 2.678 N/A ARG 185.A N GLU 181.A O no hydrogen 2.916 N/A ARG 185.A NE GLU 181.A OE2 no hydrogen 3.303 N/A ARG 185.A NH2 GLU 181.A OE2 no hydrogen 3.120 N/A ILE 186.A N PRO 182.A O no hydrogen 3.434 N/A TYR 187.A N VAL 183.A O no hydrogen 2.937 N/A ASN 188.A N TYR 184.A O no hydrogen 2.894 N/A ARG 189.A N ARG 185.A O no hydrogen 2.937 N/A LEU 190.A N ILE 186.A O no hydrogen 2.898 N/A GLN 191.A N TYR 187.A O no hydrogen 2.946 N/A GLN 191.A NE2 GLU 195.A OE2 no hydrogen 2.650 N/A GLY 192.A N ASN 188.A O no hydrogen 2.897 N/A TYR 193.A N ARG 189.A O no hydrogen 2.926 N/A TYR 193.A OH LEU 237.A O no hydrogen 2.640 N/A ILE 194.A N LEU 190.A O no hydrogen 2.943 N/A GLU 195.A N GLN 191.A O no hydrogen 2.973 N/A ALA 196.A N GLY 192.A O no hydrogen 2.879 N/A VAL 197.A N TYR 193.A O no hydrogen 2.969 N/A LEU 199.A N ALA 196.A O no hydrogen 3.520 N/A ASN 204.A N GLN 200.A O no hydrogen 3.237 N/A SER 205.A N GLU 201.A O no hydrogen 2.931 N/A SER 205.A OG GLU 201.A O no hydrogen 2.980 N/A ILE 206.A N LEU 202.A O no hydrogen 2.938 N/A GLY 207.A N ARG 203.A O no hydrogen 2.908 N/A TRP 208.A N ASN 204.A O no hydrogen 2.917 N/A TRP 208.A NE1 PRO 434.A O no hydrogen 2.955 N/A LEU 209.A N SER 205.A O no hydrogen 2.934 N/A GLU 210.A N ILE 206.A O no hydrogen 2.899 N/A ARG 211.A N GLY 207.A O no hydrogen 2.935 N/A LEU 212.A N TRP 208.A O no hydrogen 2.915 N/A GLY 213.A N LEU 209.A O no hydrogen 2.923 N/A HIS 214.A N GLU 210.A O no hydrogen 2.883 N/A ARG 215.A N ARG 211.A O no hydrogen 2.962 N/A LYS 216.A N LEU 212.A O no hydrogen 2.942 N/A LYS 216.A NZ ASP 507.A O no hydrogen 2.454 N/A LYS 216.A NZ HIS 509.A O no hydrogen 3.038 N/A ILE 218.A N GLY 213.A O no hydrogen 2.862 N/A GLN 222.A N GLN 222.A OE1 no hydrogen 2.590 N/A VAL 224.A N SER 221.A O no hydrogen 3.114 N/A THR 226.A N GLN 222.A O no hydrogen 3.048 N/A THR 226.A OG1 GLN 222.A O no hydrogen 3.222 N/A ARG 229.A N THR 226.A O no hydrogen 3.505 N/A GLN 231.A NE2 THR 169.A O no hydrogen 3.640 N/A THR 233.A OG1 ASP 232.A OD1 no hydrogen 3.334 N/A ILE 234.A N ARG 846.A O no hydrogen 3.153 N/A VAL 236.A N MET 848.A O no hydrogen 3.405 N/A ALA 238.A N VAL 236.A O no hydrogen 3.029 N/A VAL 243.A N LEU 241.A O no hydrogen 2.490 N/A GLN 246.A NE2 ASP 250.A OD1 no hydrogen 2.729 N/A TRP 249.A N PRO 245.A O no hydrogen 3.199 N/A TRP 249.A NE1 VAL 511.A O no hydrogen 2.732 N/A SER 254.A OG VAL 251.A O no hydrogen 3.191 N/A ASN 258.A N SER 254.A O no hydrogen 2.877 N/A LEU 259.A N SER 255.A O no hydrogen 2.929 N/A ILE 260.A N ILE 256.A O no hydrogen 2.909 N/A MET 261.A N ALA 257.A O no hydrogen 2.912 N/A ASN 262.A N ASN 258.A O no hydrogen 2.891 N/A ILE 263.A N LEU 259.A O no hydrogen 2.951 N/A ALA 264.A N ILE 260.A O no hydrogen 2.896 N/A THR 265.A N MET 261.A O no hydrogen 2.905 N/A CYS 266.A SG ASN 262.A O no hydrogen 3.191 N/A CYS 266.A SG ASN 262.A OD1 no hydrogen 3.203 N/A CYS 266.A SG ASP 507.A O no hydrogen 3.850 N/A THR 269.A N HIS 558.A O no hydrogen 3.366 N/A THR 269.A OG1 ASP 3.A O no hydrogen 2.303 N/A GLY 270.A N ASP 3.A O no hydrogen 3.318 N/A GLU 271.A N GLU 555.A O no hydrogen 3.152 N/A TYR 272.A N SER 1.A O no hydrogen 3.264 N/A TYR 272.A OH ASP 3.A OD2 no hydrogen 2.639 N/A ILE 273.A N SER 553.A O no hydrogen 3.287 N/A ARG 278.A N ASN 276.A OD1 no hydrogen 3.005 N/A ILE 279.A N ASN 276.A O no hydrogen 3.017 N/A SER 281.A OG ILE 296.A O no hydrogen 2.546 N/A THR 283.A OG1 SER 481.A OG no hydrogen 2.540 N/A LEU 284.A N PHE 294.A O no hydrogen 3.485 N/A THR 285.A N GLU 482.A OE2 no hydrogen 3.437 N/A GLY 292.A N THR 289.A O no hydrogen 3.431 N/A ILE 296.A N ILE 282.A O no hydrogen 3.370 N/A THR 303.A N GLN 306.A OE1 no hydrogen 2.649 N/A THR 303.A OG1 GLN 305.A OE1 no hydrogen 3.512 N/A GLN 305.A N GLN 305.A OE1 no hydrogen 2.607 N/A LEU 307.A N THR 303.A O no hydrogen 2.849 N/A ASN 308.A N ALA 304.A O no hydrogen 2.898 N/A ASP 309.A N GLN 305.A O no hydrogen 2.923 N/A VAL 310.A N GLN 306.A O no hydrogen 2.909 N/A ARG 311.A N LEU 307.A O no hydrogen 2.911 N/A ARG 311.A NE ASP 3.A OD1 no hydrogen 3.009 N/A ARG 311.A NH1 ASN 308.A OD1 no hydrogen 3.383 N/A ARG 311.A NH2 SER 2.A O no hydrogen 3.499 N/A ARG 311.A NH2 ASP 3.A OD1 no hydrogen 2.951 N/A LYS 312.A N ASN 308.A O no hydrogen 2.910 N/A LYS 312.A NZ GLU 15.A OE1 no hydrogen 3.074 N/A LYS 312.A NZ ASP 540.A OD1 no hydrogen 2.843 N/A ILE 313.A N ASP 309.A O no hydrogen 2.931 N/A TYR 314.A N VAL 310.A O no hydrogen 2.936 N/A TYR 314.A OH ALA 549.A O no hydrogen 3.410 N/A LEU 315.A N ARG 311.A O no hydrogen 2.881 N/A ALA 316.A N LYS 312.A O no hydrogen 2.937 N/A LEU 317.A N ILE 313.A O no hydrogen 2.902 N/A MET 318.A N TYR 314.A O no hydrogen 2.932 N/A PHE 319.A N ALA 316.A O no hydrogen 3.353 N/A ILE 324.A N VAL 537.A O no hydrogen 2.819 N/A LEU 325.A N ASN 359.A O no hydrogen 3.291 N/A LYS 328.A N VAL 541.A O no hydrogen 2.791 N/A LYS 328.A NZ ASP 330.A OD1 no hydrogen 3.082 N/A ARG 334.A NE MET 335.A O no hydrogen 3.278 N/A ARG 334.A NH2 MET 335.A O no hydrogen 3.096 N/A ARG 340.A NH2 ASP 374.A OD2 no hydrogen 3.434 N/A MET 341.A N PRO 337.A O no hydrogen 2.893 N/A VAL 342.A N ALA 338.A O no hydrogen 2.911 N/A ALA 343.A N VAL 339.A O no hydrogen 2.880 N/A GLY 344.A N ARG 340.A O no hydrogen 2.930 N/A VAL 345.A N VAL 342.A O no hydrogen 3.010 N/A VAL 346.A N VAL 342.A O no hydrogen 2.961 N/A GLY 347.A N ALA 343.A O no hydrogen 2.903 N/A HIS 348.A ND1 GLY 344.A O no hydrogen 3.074 N/A HIS 348.A NE2 ASP 369.A OD1 no hydrogen 3.002 N/A LEU 349.A N VAL 346.A O no hydrogen 3.096 N/A LEU 350.A N VAL 346.A O no hydrogen 2.963 N/A ARG 356.A N GLY 354.A O no hydrogen 3.094 N/A THR 358.A OG1 LEU 360.A O no hydrogen 2.686 N/A ASN 359.A N THR 352.A O no hydrogen 3.330 N/A ASN 359.A ND2 TYR 444.A OH no hydrogen 3.484 N/A LEU 360.A N THR 358.A OG1 no hydrogen 3.226 N/A ALA 365.A N THR 361.A O no hydrogen 3.101 N/A ARG 366.A N GLN 362.A O no hydrogen 2.924 N/A GLN 367.A N ASN 363.A O no hydrogen 2.927 N/A LEU 368.A N MET 364.A O no hydrogen 2.894 N/A ASP 369.A N ALA 365.A O no hydrogen 2.925 N/A ILE 370.A N ARG 366.A O no hydrogen 2.928 N/A ALA 371.A N GLN 367.A O no hydrogen 2.923 N/A LEU 372.A N LEU 368.A O no hydrogen 2.905 N/A ASN 373.A N ASP 369.A O no hydrogen 2.900 N/A ASP 374.A N ILE 370.A O no hydrogen 2.937 N/A TYR 375.A N ALA 371.A O no hydrogen 2.900 N/A TYR 375.A OH GLU 482.A OE2 no hydrogen 2.661 N/A LEU 376.A N LEU 372.A O no hydrogen 2.901 N/A LEU 377.A N ASN 373.A O no hydrogen 2.997 N/A TYR 378.A N ASP 374.A O no hydrogen 2.880 N/A ARG 383.A NE VAL 384.A O no hydrogen 3.150 N/A ARG 383.A NH2 VAL 384.A O no hydrogen 3.309 N/A ASN 387.A N GLN 398.A O no hydrogen 2.603 N/A TYR 388.A N ASN 387.A OD1 no hydrogen 2.601 N/A THR 391.A OG1 GLU 393.A OE1 no hydrogen 2.892 N/A THR 391.A OG1 ASP 396.A OD2 no hydrogen 2.542 N/A GLU 393.A N ASP 396.A OD2 no hydrogen 2.902 N/A GLN 398.A N ASN 387.A O no hydrogen 2.738 N/A GLY 400.A N GLN 385.A O no hydrogen 3.152 N/A TYR 404.A N ASN 402.A O no hydrogen 2.984 N/A TYR 404.A OH GLU 469.A OE1 no hydrogen 3.122 N/A CYS 406.A N PHE 397.A O no hydrogen 3.298 N/A CYS 406.A SG PHE 397.A O no hydrogen 3.996 N/A CYS 406.A SG TYR 404.A O no hydrogen 3.801 N/A PHE 409.A N CYS 406.A O no hydrogen 3.321 N/A ARG 410.A N ASN 407.A O no hydrogen 3.161 N/A ARG 410.A NE PRO 394.A O no hydrogen 2.783 N/A ARG 410.A NH2 PRO 394.A O no hydrogen 3.130 N/A ARG 410.A NH2 ASN 407.A OD1 no hydrogen 3.061 N/A ALA 411.A N ASP 369.A OD2 no hydrogen 2.789 N/A ALA 414.A N ASP 412.A OD1 no hydrogen 3.433 N/A THR 415.A N ASP 412.A O no hydrogen 3.202 N/A GLY 416.A N ASP 412.A O no hydrogen 2.602 N/A THR 417.A OG1 VAL 408.A O no hydrogen 3.042 N/A TYR 419.A OH ASP 369.A OD1 no hydrogen 3.394 N/A ASN 420.A N PHE 351.A O no hydrogen 3.357 N/A ASN 420.A ND2 LEU 349.A O no hydrogen 3.043 N/A THR 424.A OG1 ASN 420.A O no hydrogen 3.178 N/A THR 424.A OG1 ASP 426.A OD1 no hydrogen 3.156 N/A GLU 428.A N TYR 441.A O no hydrogen 3.269 N/A ARG 430.A NE GLU 428.A OE2 no hydrogen 2.936 N/A ARG 430.A NH1 ASP 448.A OD1 no hydrogen 3.507 N/A ARG 430.A NH2 GLU 428.A OE2 no hydrogen 2.455 N/A ARG 430.A NH2 ASP 448.A OD1 no hydrogen 3.351 N/A TYR 435.A OH GLU 570.A OE1 no hydrogen 3.206 N/A ALA 438.A N TYR 435.A O no hydrogen 3.414 N/A GLN 439.A N ASP 516.A OD2 no hydrogen 2.945 N/A GLN 439.A NE2 VAL 436.A O no hydrogen 3.371 N/A ARG 440.A NH1 LEU 514.A O no hydrogen 2.749 N/A ARG 440.A NH1 ASP 516.A OD1 no hydrogen 2.673 N/A ARG 440.A NH2 LEU 514.A O no hydrogen 2.885 N/A TYR 441.A N GLU 428.A O no hydrogen 2.850 N/A ILE 442.A N ASN 505.A OD1 no hydrogen 3.164 N/A ARG 443.A N ASP 426.A O no hydrogen 3.037 N/A ARG 443.A NH1 GLU 428.A OE2 no hydrogen 2.539 N/A ARG 443.A NH2 GLY 446.A O no hydrogen 2.708 N/A TYR 444.A OH LEU 317.A O no hydrogen 3.177 N/A ILE 447.A N TYR 444.A O no hydrogen 3.101 N/A ARG 450.A N ASP 448.A OD1 no hydrogen 2.953 N/A ARG 450.A NE ASP 448.A OD1 no hydrogen 3.225 N/A ARG 450.A NE ASP 448.A OD2 no hydrogen 3.238 N/A ARG 450.A NH2 ASP 448.A OD2 no hydrogen 2.839 N/A TYR 458.A N ASN 454.A O no hydrogen 3.091 N/A TYR 464.A OH ASN 420.A OD1 no hydrogen 3.240 N/A TYR 464.A OH HIS 493.A NE2 no hydrogen 3.154 N/A HIS 465.A NE2 GLU 469.A OE2 no hydrogen 2.896 N/A CYS 466.A SG HIS 348.A O no hydrogen 3.775 N/A TYR 467.A OH PHE 486.A O no hydrogen 2.698 N/A ASN 468.A N TYR 464.A O no hydrogen 3.105 N/A ASN 468.A ND2 THR 463.A OG1 no hydrogen 3.329 N/A GLU 469.A N HIS 465.A O no hydrogen 2.932 N/A MET 470.A N CYS 466.A O no hydrogen 2.903 N/A LEU 471.A N TYR 467.A O no hydrogen 2.914 N/A ARG 472.A N ASN 468.A O no hydrogen 2.929 N/A MET 473.A N GLU 469.A O no hydrogen 2.905 N/A LEU 474.A N MET 470.A O no hydrogen 2.882 N/A VAL 475.A N LEU 471.A O no hydrogen 2.916 N/A ALA 476.A N ARG 472.A O no hydrogen 2.923 N/A ALA 477.A N MET 473.A O no hydrogen 3.197 N/A GLY 478.A N VAL 475.A O no hydrogen 3.220 N/A LYS 479.A NZ MET 379.A O no hydrogen 2.817 N/A SER 481.A OG THR 283.A O no hydrogen 2.910 N/A SER 481.A OG THR 283.A OG1 no hydrogen 2.540 N/A ALA 483.A N LYS 479.A O no hydrogen 3.244 N/A ALA 484.A N ASP 480.A O no hydrogen 2.901 N/A TYR 485.A N SER 481.A O no hydrogen 2.920 N/A TYR 485.A OH ASN 551.A OD1 no hydrogen 3.175 N/A PHE 486.A N GLU 482.A O no hydrogen 2.912 N/A ARG 487.A N ALA 483.A O no hydrogen 2.893 N/A SER 488.A N ALA 484.A O no hydrogen 2.920 N/A MET 489.A N TYR 485.A O no hydrogen 3.103 N/A LEU 490.A N ARG 487.A O no hydrogen 3.422 N/A HIS 493.A N MET 489.A O no hydrogen 3.142 N/A MET 494.A N LEU 490.A O no hydrogen 2.908 N/A VAL 495.A N PRO 491.A O no hydrogen 2.914 N/A ARG 496.A N PHE 492.A O no hydrogen 2.925 N/A ARG 496.A NH1 PHE 550.A O no hydrogen 3.382 N/A PHE 497.A N HIS 493.A O no hydrogen 3.023 N/A ALA 498.A N MET 494.A O no hydrogen 2.866 N/A ARG 499.A N VAL 495.A O no hydrogen 2.925 N/A ILE 500.A N ARG 496.A O no hydrogen 2.963 N/A ASN 501.A N PHE 497.A O no hydrogen 2.865 N/A GLN 502.A N ALA 498.A O no hydrogen 2.939 N/A GLN 502.A NE2 SER 449.A O no hydrogen 2.819 N/A ILE 503.A N ARG 499.A O no hydrogen 2.932 N/A ILE 504.A N ILE 500.A O no hydrogen 2.931 N/A ASN 505.A N ASN 501.A O no hydrogen 2.931 N/A ASN 505.A ND2 ILE 442.A O no hydrogen 2.770 N/A ASN 505.A ND2 ASN 501.A O no hydrogen 2.796 N/A ASN 505.A ND2 ASN 501.A OD1 no hydrogen 2.900 N/A GLU 506.A N GLN 502.A O no hydrogen 2.917 N/A ASP 507.A N ILE 503.A O no hydrogen 3.188 N/A LEU 508.A N ILE 503.A O no hydrogen 3.452 N/A SER 510.A OG GLU 570.A OE2 no hydrogen 2.543 N/A PHE 512.A N SER 510.A OG no hydrogen 3.243 N/A SER 513.A N SER 510.A O no hydrogen 3.139 N/A SER 513.A OG SER 510.A O no hydrogen 2.555 N/A ASP 516.A N HIS 437.A O no hydrogen 3.169 N/A MET 518.A N ASP 517.A OD1 no hydrogen 2.553 N/A PHE 519.A N PRO 515.A O no hydrogen 2.958 N/A ASN 520.A N ASP 516.A O no hydrogen 2.905 N/A LEU 522.A N PHE 519.A O no hydrogen 3.369 N/A ASP 525.A N ALA 521.A O no hydrogen 3.209 N/A LEU 526.A N LEU 522.A O no hydrogen 3.091 N/A ILE 527.A N LEU 523.A O no hydrogen 2.921 N/A ALA 528.A N PRO 524.A O no hydrogen 2.905 N/A GLY 529.A N ASP 525.A O no hydrogen 2.667 N/A GLN 532.A NE2 HIS 531.A O no hydrogen 3.116 N/A VAL 537.A N GLN 322.A O no hydrogen 3.105 N/A LEU 539.A N ILE 324.A O no hydrogen 2.815 N/A SER 542.A OG ASP 309.A OD2 no hydrogen 3.167 N/A LEU 546.A N TRP 543.A O no hydrogen 3.144 N/A PHE 548.A N ILE 544.A O no hydrogen 2.969 N/A ALA 549.A N SER 545.A O no hydrogen 2.850 N/A PHE 550.A N LEU 546.A O no hydrogen 2.925 N/A ASN 551.A N TRP 547.A O no hydrogen 2.931 N/A ASN 551.A N PHE 548.A O no hydrogen 3.169 N/A ARG 552.A N ALA 549.A O no hydrogen 3.230 N/A ARG 552.A NH1 THR 298.A O no hydrogen 3.198 N/A ARG 552.A NH1 ASN 551.A O no hydrogen 2.904 N/A ARG 552.A NH2 SER 300.A O no hydrogen 3.093 N/A SER 553.A N ILE 273.A O no hydrogen 3.307 N/A GLU 555.A N GLU 271.A O no hydrogen 3.083 N/A THR 557.A N THR 269.A O no hydrogen 2.864 N/A HIS 558.A ND1 ARG 559.A O no hydrogen 3.145 N/A ARG 559.A NH1 LYS 216.A O no hydrogen 3.390 N/A ARG 559.A NH1 ARG 217.A O no hydrogen 2.952 N/A ARG 559.A NH2 LYS 216.A O no hydrogen 3.332 N/A ARG 559.A NH2 ASP 507.A OD1 no hydrogen 2.526 N/A ASN 560.A ND2 ALA 264.A O no hydrogen 3.688 N/A ASN 560.A ND2 THR 265.A O no hydrogen 2.637 N/A GLU 561.A N GLU 561.A OE1 no hydrogen 2.527 N/A LEU 563.A N ASN 560.A O no hydrogen 3.455 N/A VAL 565.A N MET 562.A O no hydrogen 3.404 N/A GLU 570.A N ALA 566.A O no hydrogen 2.965 N/A SER 571.A N PRO 567.A O no hydrogen 2.886 N/A SER 571.A OG PRO 567.A O no hydrogen 3.228 N/A SER 571.A OG LEU 568.A O no hydrogen 2.642 N/A VAL 572.A N LEU 568.A O no hydrogen 2.920 N/A TYR 573.A N ILE 569.A O no hydrogen 2.948 N/A ALA 574.A N GLU 570.A O no hydrogen 2.965 N/A SER 575.A N SER 571.A O no hydrogen 2.881 N/A SER 575.A OG SER 642.A OG no hydrogen 3.189 N/A GLU 576.A N VAL 572.A O no hydrogen 2.919 N/A LEU 577.A N TYR 573.A O no hydrogen 3.005 N/A SER 578.A N ALA 574.A O no hydrogen 2.936 N/A SER 578.A OG GLN 640.A O no hydrogen 3.473 N/A VAL 579.A N SER 575.A O no hydrogen 2.893 N/A MET 580.A N GLU 576.A O no hydrogen 2.961 N/A LYS 581.A N LEU 577.A O no hydrogen 2.972 N/A VAL 582.A N SER 578.A O no hydrogen 2.943 N/A ASP 583.A N VAL 579.A O no hydrogen 2.910 N/A MET 584.A N MET 580.A O no hydrogen 2.957 N/A ARG 585.A N LYS 581.A O no hydrogen 2.986 N/A ARG 585.A NE VAL 634.A O no hydrogen 3.499 N/A ARG 585.A NH2 VAL 634.A O no hydrogen 3.289 N/A HIS 586.A N VAL 582.A O no hydrogen 2.916 N/A HIS 586.A ND1 VAL 582.A O no hydrogen 3.080 N/A LEU 587.A N ASP 583.A O no hydrogen 2.904 N/A SER 588.A N MET 584.A O no hydrogen 2.974 N/A LEU 589.A N ARG 585.A O no hydrogen 2.962 N/A MET 590.A N HIS 586.A O no hydrogen 2.876 N/A GLN 591.A N LEU 587.A O no hydrogen 2.914 N/A ARG 592.A N SER 588.A O no hydrogen 2.959 N/A ARG 593.A N LEU 589.A O no hydrogen 2.909 N/A ARG 593.A N MET 590.A O no hydrogen 3.067 N/A PHE 594.A N MET 590.A O no hydrogen 3.456 N/A LEU 598.A N PHE 594.A O no hydrogen 3.236 N/A ALA 601.A N GLN 600.A OE1 no hydrogen 3.241 N/A ARG 602.A N HIS 605.A ND1 no hydrogen 3.224 N/A HIS 605.A N ARG 602.A O no hydrogen 2.933 N/A TRP 607.A N PRO 603.A O no hydrogen 2.924 N/A ALA 609.A N HIS 605.A O no hydrogen 2.940 N/A VAL 610.A N PHE 606.A O no hydrogen 2.885 N/A LEU 611.A N TRP 607.A O no hydrogen 2.906 N/A ASN 612.A N LYS 608.A O no hydrogen 2.903 N/A ASP 613.A N VAL 610.A O no hydrogen 3.006 N/A SER 614.A N VAL 610.A O no hydrogen 3.212 N/A SER 614.A N LEU 611.A O no hydrogen 3.388 N/A SER 614.A OG GLU 576.A OE2 no hydrogen 3.194 N/A LYS 619.A N PRO 615.A O no hydrogen 3.383 N/A ALA 620.A N GLU 616.A O no hydrogen 2.898 N/A VAL 621.A N ALA 617.A O no hydrogen 2.911 N/A MET 622.A N VAL 618.A O no hydrogen 2.910 N/A ASN 623.A N LYS 619.A O no hydrogen 2.896 N/A SER 625.A OG SER 625.A O no hydrogen 2.595 N/A ASN 626.A N ASP 629.A OD1 no hydrogen 3.245 N/A ARG 628.A NE ARG 628.A O no hydrogen 3.119 N/A MET 631.A N ILE 627.A O no hydrogen 2.902 N/A ARG 632.A N ARG 628.A O no hydrogen 2.935 N/A TRP 633.A N ASP 629.A O no hydrogen 2.881 N/A VAL 634.A N MET 630.A O no hydrogen 2.911 N/A MET 635.A N MET 631.A O no hydrogen 2.926 N/A LEU 636.A N TRP 633.A O no hydrogen 3.307 N/A GLN 640.A N SER 578.A OG no hydrogen 3.238 N/A GLN 640.A NE2 PRO 641.A O no hydrogen 2.445 N/A SER 642.A OG ALA 238.A O no hydrogen 3.260 N/A SER 642.A OG SER 575.A OG no hydrogen 3.189 N/A LEU 643.A N ALA 238.A O no hydrogen 3.317 N/A LYS 644.A N SER 642.A OG no hydrogen 3.332 N/A ALA 646.A N SER 642.A O no hydrogen 3.044 N/A LEU 647.A N LEU 643.A O no hydrogen 2.936 N/A GLU 648.A N LYS 644.A O no hydrogen 2.864 N/A GLU 649.A N LEU 645.A O no hydrogen 2.930 N/A ALA 651.A N LEU 647.A O no hydrogen 2.921 N/A TRP 652.A N GLU 648.A O no hydrogen 2.890 N/A TRP 652.A NE1 ASP 583.A OD1 no hydrogen 2.515 N/A ALA 653.A N GLU 649.A O no hydrogen 2.915 N/A ALA 654.A N GLU 650.A O no hydrogen 2.897 N/A ALA 655.A N TRP 652.A O no hydrogen 3.083 N/A ASN 656.A N ALA 653.A O no hydrogen 3.305 N/A ASN 656.A ND2 ALA 653.A O no hydrogen 2.985 N/A GLU 659.A N ASP 657.A OD1 no hydrogen 3.131 N/A MET 662.A N GLU 659.A O no hydrogen 2.833 N/A LEU 663.A N PHE 658.A O no hydrogen 2.973 N/A THR 664.A N ARG 743.A O no hydrogen 3.280 N/A GLN 666.A N THR 664.A OG1 no hydrogen 3.257 N/A TYR 668.A N LYS 814.A O no hydrogen 2.978 N/A MET 669.A N VAL 736.A O no hydrogen 3.010 N/A HIS 670.A N MET 812.A O no hydrogen 3.126 N/A HIS 670.A ND1 ASP 672.A OD2 no hydrogen 3.326 N/A ARG 671.A NH2 MET 730.A O no hydrogen 2.734 N/A ARG 671.A NH2 ASP 731.A OD1 no hydrogen 3.187 N/A ASP 672.A N THR 811.A O no hydrogen 3.379 N/A ARG 678.A NE ARG 678.A O no hydrogen 3.149 N/A GLU 683.A N GLU 683.A OE1 no hydrogen 2.687 N/A ARG 684.A N ASP 681.A OD1 no hydrogen 3.022 N/A ARG 684.A NH1 ARG 684.A O no hydrogen 3.351 N/A PHE 685.A N ASP 681.A O no hydrogen 3.086 N/A ARG 686.A N ILE 682.A O no hydrogen 2.867 N/A ARG 686.A NH1 VAL 794.A O no hydrogen 3.412 N/A GLN 687.A N GLU 683.A O no hydrogen 2.924 N/A GLU 688.A N ARG 684.A O no hydrogen 3.310 N/A ASN 694.A ND2 THR 813.A O no hydrogen 3.616 N/A MET 695.A N THR 693.A OG1 no hydrogen 3.289 N/A LEU 696.A N VAL 815.A O no hydrogen 3.195 N/A GLU 701.A N GLU 701.A OE1 no hydrogen 2.642 N/A ARG 704.A N GLU 701.A O no hydrogen 3.441 N/A ARG 704.A NH1 ASP 733.A O no hydrogen 3.105 N/A ARG 704.A NH1 ASP 733.A OD1 no hydrogen 2.752 N/A ARG 704.A NH2 ASP 733.A OD1 no hydrogen 2.957 N/A VAL 706.A N TRP 735.A O no hydrogen 2.919 N/A TYR 708.A N ARG 737.A O no hydrogen 3.153 N/A TYR 710.A N THR 709.A OG1 no hydrogen 2.558 N/A ALA 713.A N THR 709.A O no hydrogen 3.162 N/A ARG 714.A N TYR 710.A O no hydrogen 2.908 N/A LEU 715.A N GLU 711.A O no hydrogen 2.887 N/A GLN 716.A N ILE 712.A O no hydrogen 2.925 N/A ALA 717.A N ALA 713.A O no hydrogen 2.879 N/A ASN 718.A N ARG 714.A O no hydrogen 2.904 N/A ASN 718.A N LEU 715.A O no hydrogen 3.222 N/A MET 719.A N GLN 716.A O no hydrogen 3.239 N/A GLY 720.A N ALA 717.A O no hydrogen 3.209 N/A GLN 721.A N GLN 716.A O no hydrogen 2.994 N/A GLN 721.A NE2 MET 719.A O no hydrogen 3.073 N/A ALA 725.A N GLN 721.A O no hydrogen 2.669 N/A LEU 726.A N PHE 722.A O no hydrogen 2.950 N/A ARG 727.A N ARG 723.A O no hydrogen 2.903 N/A ARG 727.A NE ASP 731.A OD1 no hydrogen 3.256 N/A ARG 727.A NE ASP 731.A OD2 no hydrogen 3.300 N/A ARG 728.A N ALA 724.A O no hydrogen 2.900 N/A ILE 729.A N ALA 725.A O no hydrogen 2.906 N/A MET 730.A N LEU 726.A O no hydrogen 2.934 N/A ASP 731.A N ARG 727.A O no hydrogen 2.894 N/A ASP 732.A N ARG 728.A O no hydrogen 3.002 N/A ASP 732.A N ILE 729.A O no hydrogen 2.961 N/A ASP 733.A N MET 730.A O no hydrogen 3.067 N/A ASP 734.A N ILE 729.A O no hydrogen 3.327 N/A TRP 735.A N ARG 704.A O no hydrogen 3.030 N/A VAL 736.A N MET 669.A O no hydrogen 3.448 N/A ARG 737.A N VAL 706.A O no hydrogen 3.101 N/A PHE 738.A N VAL 667.A O no hydrogen 3.411 N/A ARG 743.A N THR 664.A O no hydrogen 2.971 N/A THR 744.A N THR 783.A O no hydrogen 3.077 N/A ARG 746.A N THR 785.A O no hydrogen 2.984 N/A LYS 748.A N ILE 787.A O no hydrogen 2.982 N/A TYR 750.A N TYR 789.A O no hydrogen 2.901 N/A LEU 759.A N PRO 755.A O no hydrogen 3.050 N/A GLN 760.A N ASP 756.A O no hydrogen 2.758 N/A SER 765.A N LYS 780.A O no hydrogen 2.739 N/A SER 765.A OG LYS 780.A O no hydrogen 3.537 N/A ASP 767.A N THR 778.A O no hydrogen 2.978 N/A THR 768.A N ASP 767.A OD1 no hydrogen 2.588 N/A THR 768.A OG1 TYR 776.A O no hydrogen 2.320 N/A ASN 769.A N TYR 776.A O no hydrogen 2.843 N/A LEU 774.A N ARG 771.A O no hydrogen 3.346 N/A TYR 776.A N ASN 769.A O no hydrogen 2.813 N/A THR 778.A N ASP 767.A O no hydrogen 2.580 N/A THR 778.A OG1 ASP 767.A O no hydrogen 3.311 N/A LYS 780.A N SER 765.A O no hydrogen 2.929 N/A ALA 782.A N PRO 763.A O no hydrogen 2.477 N/A THR 785.A N THR 744.A O no hydrogen 2.979 N/A THR 785.A OG1 THR 744.A O no hydrogen 2.859 N/A ILE 787.A N ARG 746.A O no hydrogen 2.584 N/A PHE 788.A N ASN 694.A OD1 no hydrogen 3.164 N/A TYR 789.A N LYS 748.A O no hydrogen 3.068 N/A LEU 790.A N TYR 692.A O no hydrogen 3.194 N/A ILE 791.A N TYR 750.A O no hydrogen 3.390 N/A VAL 794.A N GLN 66.A OE1 no hydrogen 2.900 N/A SER 802.A N THR 799.A O no hydrogen 3.034 N/A SER 802.A OG THR 799.A O no hydrogen 2.429 N/A VAL 804.A N ASP 801.A O no hydrogen 3.403 N/A THR 811.A N ASP 672.A O no hydrogen 3.485 N/A THR 813.A OG1 GLY 761.A O no hydrogen 3.536 N/A LYS 814.A N TYR 668.A O no hydrogen 2.838 N/A LYS 814.A NZ ASP 672.A OD2 no hydrogen 2.363 N/A VAL 815.A N ASN 694.A O no hydrogen 3.413 N/A ASN 818.A N GLU 659.A OE2 no hydrogen 3.054 N/A LYS 819.A NZ ASP 657.A OD2 no hydrogen 3.116 N/A LYS 819.A NZ ASP 660.A OD1 no hydrogen 2.556 N/A GLU 823.A N ARG 73.A O no hydrogen 3.053 N/A ARG 824.A NH1 GLY 689.A O no hydrogen 2.861 N/A VAL 825.A N VAL 71.A O no hydrogen 3.253 N/A GLN 829.A N ARG 826.A O no hydrogen 3.397 N/A LEU 834.A N LEU 831.A O no hydrogen 3.462 N/A ARG 836.A N GLY 177.A O no hydrogen 2.993 N/A ARG 836.A NE CYS 179.A O no hydrogen 2.607 N/A ARG 837.A N TYR 184.A OH no hydrogen 3.123 N/A PHE 838.A N PHE 175.A O no hydrogen 2.753 N/A VAL 839.A N TYR 187.A OH no hydrogen 3.467 N/A ALA 840.A N ASP 173.A O no hydrogen 2.771 N/A TYR 841.A N LEU 115.A O no hydrogen 3.426 N/A LYS 842.A NZ ASP 171.A O no hydrogen 2.882 N/A LYS 842.A NZ ASP 173.A OD1 no hydrogen 3.147 N/A MET 845.A N LYS 842.A O no hydrogen 3.096 N/A MET 848.A N ILE 234.A O no hydrogen 3.080 N/A THR 851.A OG1 ASP 849.A OD2 no hydrogen 2.982 N/A GLN 852.A NE2 GLN 48.A OE1 no hydrogen 3.104 N/A SER 853.A N ASP 849.A O no hydrogen 3.204 N/A SER 853.A OG GLU 223.A O no hydrogen 3.164 N/A LEU 854.A N ILE 850.A O no hydrogen 3.117 N/A LYS 855.A N GLN 852.A O no hydrogen 3.099 N/A