Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6aui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG HIS 2.A ND1 no hydrogen 2.623 N/A VAL 5.A N GLU 13.A O no hydrogen 2.895 N/A ILE 6.A N VAL 53.A O no hydrogen 3.009 N/A LYS 7.A NZ GLU 13.A OE1 no hydrogen 3.060 N/A LYS 7.A NZ GLU 13.A OE2 no hydrogen 2.975 N/A ARG 8.A NH1 ASN 87.A OD1 no hydrogen 3.261 N/A ARG 8.A NH2 ASN 87.A OD1 no hydrogen 3.369 N/A ARG 8.A NH2 GLU 91.A OE1 no hydrogen 3.257 N/A GLY 10.A N LYS 7.A O no hydrogen 2.482 N/A ARG 11.A N LYS 7.A O no hydrogen 3.047 N/A GLU 13.A N VAL 5.A O no hydrogen 2.966 N/A LYS 19.A N MET 16.A O no hydrogen 3.453 N/A ILE 20.A N PHE 17.A O no hydrogen 3.120 N/A THR 21.A OG1 THR 42.A OG1 no hydrogen 3.046 N/A SER 22.A N ASP 18.A O no hydrogen 2.878 N/A ARG 23.A N ILE 20.A O no hydrogen 2.833 N/A ILE 24.A N ILE 20.A O no hydrogen 2.892 N/A GLN 25.A N THR 21.A O no hydrogen 3.439 N/A LEU 27.A N ARG 23.A O no hydrogen 2.960 N/A CYS 28.A N GLN 25.A O no hydrogen 3.413 N/A CYS 28.A SG ILE 24.A O no hydrogen 3.142 N/A ASN 32.A N ASP 75.A OD2 no hydrogen 3.223 N/A ASN 32.A ND2 HIS 73.A NE2 no hydrogen 3.193 N/A ASP 34.A N ASN 32.A OD1 no hydrogen 3.250 N/A PHE 35.A N ASN 32.A O no hydrogen 3.237 N/A VAL 36.A N ASN 32.A O no hydrogen 3.029 N/A ASP 37.A N TYR 76.A OH no hydrogen 2.856 N/A ALA 39.A N ASP 37.A OD1 no hydrogen 3.368 N/A THR 42.A N PRO 38.A O no hydrogen 2.937 N/A THR 42.A OG1 THR 21.A OG1 no hydrogen 3.046 N/A THR 42.A OG1 PRO 38.A O no hydrogen 2.717 N/A MET 43.A N ALA 39.A O no hydrogen 2.905 N/A LYS 44.A N GLN 40.A O no hydrogen 2.980 N/A VAL 45.A N ILE 41.A O no hydrogen 2.956 N/A ILE 46.A N THR 42.A O no hydrogen 2.919 N/A GLN 47.A N MET 43.A O no hydrogen 2.985 N/A GLY 48.A N VAL 45.A O no hydrogen 2.821 N/A GLY 52.A N HIS 4.A O no hydrogen 2.798 N/A THR 55.A N ILE 6.A O no hydrogen 3.348 N/A GLU 57.A N THR 54.A O no hydrogen 3.027 N/A ASP 59.A N THR 55.A O no hydrogen 3.022 N/A THR 60.A N VAL 56.A O no hydrogen 2.924 N/A THR 60.A OG1 VAL 56.A O no hydrogen 2.824 N/A LEU 61.A N GLU 57.A O no hydrogen 2.907 N/A ALA 62.A N LEU 58.A O no hydrogen 2.919 N/A ALA 63.A N ASP 59.A O no hydrogen 2.963 N/A GLU 64.A N THR 60.A O no hydrogen 2.936 N/A THR 65.A N LEU 61.A O no hydrogen 2.927 N/A THR 65.A OG1 LEU 61.A O no hydrogen 2.869 N/A ALA 66.A N ALA 62.A O no hydrogen 2.980 N/A ALA 67.A N ALA 63.A O no hydrogen 2.938 N/A THR 68.A N GLU 64.A O no hydrogen 2.967 N/A THR 68.A OG1 GLU 64.A O no hydrogen 3.528 N/A THR 68.A OG1 THR 65.A O no hydrogen 2.623 N/A LEU 69.A N THR 65.A O no hydrogen 2.914 N/A THR 70.A OG1 ALA 66.A O no hydrogen 2.708 N/A THR 70.A OG1 ALA 67.A O no hydrogen 3.052 N/A LYS 72.A N LEU 69.A O no hydrogen 3.105 N/A LYS 72.A NZ GLN 40.A OE1 no hydrogen 3.342 N/A ASP 75.A N HIS 73.A ND1 no hydrogen 3.149 N/A TYR 76.A N HIS 73.A O no hydrogen 3.303 N/A LEU 79.A N ASP 75.A O no hydrogen 2.925 N/A ALA 80.A N TYR 76.A O no hydrogen 2.871 N/A ALA 81.A N ALA 77.A O no hydrogen 2.946 N/A ARG 82.A N ILE 78.A O no hydrogen 2.995 N/A ARG 82.A NH1 TYR 29.A O no hydrogen 2.460 N/A ARG 82.A NH2 TYR 29.A O no hydrogen 3.388 N/A ILE 83.A N LEU 79.A O no hydrogen 2.861 N/A ALA 84.A N ALA 80.A O no hydrogen 3.005 N/A VAL 85.A N ALA 81.A O no hydrogen 2.947 N/A SER 86.A N ARG 82.A O no hydrogen 2.943 N/A ASN 87.A N ILE 83.A O no hydrogen 2.904 N/A LEU 88.A N ALA 84.A O no hydrogen 2.991 N/A HIS 89.A N VAL 85.A O no hydrogen 2.911 N/A HIS 89.A ND1 VAL 85.A O no hydrogen 2.719 N/A HIS 89.A NE2 ASP 142.A OD2 no hydrogen 2.642 N/A LYS 90.A N SER 86.A O no hydrogen 2.948 N/A GLU 91.A N LEU 88.A O no hydrogen 2.872 N/A THR 92.A N LEU 88.A O no hydrogen 3.322 N/A LYS 93.A NZ ASP 98.A OD2 no hydrogen 2.572 N/A MET 100.A N PHE 96.A O no hydrogen 3.001 N/A GLU 101.A N SER 97.A O no hydrogen 2.945 N/A ASP 102.A N ASP 98.A O no hydrogen 2.930 N/A LEU 103.A N VAL 99.A O no hydrogen 2.906 N/A TYR 104.A N MET 100.A O no hydrogen 2.941 N/A ASN 105.A N GLU 101.A O no hydrogen 2.938 N/A TYR 106.A N LEU 103.A O no hydrogen 3.375 N/A TYR 106.A OH ASN 162.A OD1 no hydrogen 3.043 N/A ASN 108.A N LYS 113.A O no hydrogen 3.228 N/A ASN 111.A N ASN 108.A O no hydrogen 3.119 N/A GLY 112.A N ASN 108.A O no hydrogen 3.006 N/A SER 115.A OG LYS 113.A O no hydrogen 3.235 N/A MET 117.A N LEU 103.A O no hydrogen 3.165 N/A ALA 119.A N GLY 211.A O no hydrogen 3.174 N/A THR 122.A OG1 GLY 211.A O no hydrogen 2.985 N/A LEU 123.A N ALA 119.A O no hydrogen 3.312 N/A ASP 124.A N LYS 120.A O no hydrogen 2.875 N/A ILE 125.A N SER 121.A O no hydrogen 2.952 N/A VAL 126.A N THR 122.A O no hydrogen 2.941 N/A LEU 127.A N LEU 123.A O no hydrogen 2.876 N/A ALA 128.A N ASP 124.A O no hydrogen 2.935 N/A ASN 129.A N VAL 126.A O no hydrogen 2.923 N/A ASN 129.A ND2 ILE 125.A O no hydrogen 3.365 N/A ARG 132.A NH2 ASP 186.A OD1 no hydrogen 2.412 N/A LEU 133.A N ASN 129.A O no hydrogen 3.332 N/A ASN 134.A N LYS 130.A O no hydrogen 2.912 N/A SER 135.A OG ASP 131.A O no hydrogen 3.040 N/A ALA 136.A N LEU 133.A O no hydrogen 3.210 N/A TYR 139.A OH LYS 94.A O no hydrogen 2.736 N/A TYR 139.A OH HIS 171.A NE2 no hydrogen 2.435 N/A ARG 141.A NH1 ASN 193.A OD1 no hydrogen 3.380 N/A ARG 141.A NH1 SER 196.A OG no hydrogen 2.473 N/A SER 144.A N ARG 141.A O no hydrogen 3.374 N/A SER 144.A OG ARG 141.A O no hydrogen 2.455 N/A PHE 150.A N ASN 146.A O no hydrogen 2.963 N/A LYS 151.A N TYR 147.A O no hydrogen 2.901 N/A THR 152.A N PHE 148.A O no hydrogen 2.946 N/A THR 152.A OG1 PHE 148.A O no hydrogen 2.836 N/A LEU 153.A N GLY 149.A O no hydrogen 2.916 N/A GLU 154.A N PHE 150.A O no hydrogen 2.890 N/A GLU 154.A N LYS 151.A O no hydrogen 3.218 N/A ARG 155.A N LYS 151.A O no hydrogen 2.931 N/A ARG 155.A NE LYS 151.A O no hydrogen 3.595 N/A SER 156.A OG THR 152.A O no hydrogen 3.426 N/A TYR 157.A N LEU 153.A O no hydrogen 3.355 N/A LEU 159.A N GLU 167.A OE1 no hydrogen 3.020 N/A LYS 160.A NZ ARG 155.A O no hydrogen 2.965 N/A ILE 161.A N LYS 164.A O no hydrogen 2.872 N/A LYS 164.A N ILE 161.A O no hydrogen 3.032 N/A ARG 168.A N HIS 171.A ND1 no hydrogen 3.447 N/A ARG 168.A NH2 THR 92.A O no hydrogen 2.858 N/A GLN 170.A NE2 ASP 142.A OD1 no hydrogen 2.517 N/A HIS 171.A NE2 TYR 139.A OH no hydrogen 2.435 N/A MET 172.A N ARG 168.A O no hydrogen 3.165 N/A LEU 173.A N PRO 169.A O no hydrogen 2.956 N/A MET 174.A N GLN 170.A O no hydrogen 2.940 N/A ARG 175.A N HIS 171.A O no hydrogen 2.941 N/A ARG 175.A NH2 LEU 207.A O no hydrogen 3.310 N/A VAL 176.A N MET 172.A O no hydrogen 2.890 N/A SER 177.A N LEU 173.A O no hydrogen 3.030 N/A SER 177.A OG LEU 173.A O no hydrogen 3.410 N/A VAL 178.A N MET 174.A O no hydrogen 2.957 N/A GLY 179.A N ARG 175.A O no hydrogen 2.908 N/A ILE 180.A N VAL 176.A O no hydrogen 2.918 N/A HIS 181.A N SER 177.A O no hydrogen 2.970 N/A HIS 181.A NE2 ASN 478.A OD1 no hydrogen 2.404 N/A ASP 186.A N ASP 184.A OD1 no hydrogen 3.163 N/A ILE 189.A N ILE 185.A O no hydrogen 2.881 N/A GLU 190.A N ASP 186.A O no hydrogen 2.924 N/A THR 191.A N ALA 187.A O no hydrogen 2.870 N/A THR 191.A OG1 HIS 181.A NE2 no hydrogen 2.826 N/A THR 191.A OG1 ALA 187.A O no hydrogen 2.271 N/A THR 191.A OG1 ASN 478.A OD1 no hydrogen 3.474 N/A TYR 192.A N ALA 188.A O no hydrogen 2.909 N/A TYR 192.A OH GLN 170.A OE1 no hydrogen 2.299 N/A ASN 193.A N ILE 189.A O no hydrogen 2.885 N/A LEU 194.A N GLU 190.A O no hydrogen 2.923 N/A LEU 195.A N TYR 192.A O no hydrogen 3.247 N/A SER 196.A N TYR 192.A O no hydrogen 2.773 N/A SER 196.A OG TYR 192.A O no hydrogen 2.852 N/A GLU 197.A N ASN 193.A O no hydrogen 2.970 N/A ARG 198.A N LEU 195.A O no hydrogen 2.884 N/A TRP 199.A NE1 GLU 197.A OE1 no hydrogen 2.995 N/A THR 201.A N SER 450.A O no hydrogen 2.905 N/A THR 201.A OG1 SER 450.A O no hydrogen 3.564 N/A THR 201.A OG1 SER 450.A OG no hydrogen 3.175 N/A SER 204.A OG TYR 157.A OH no hydrogen 2.895 N/A THR 206.A OG1 LEU 217.A O no hydrogen 3.110 N/A LEU 207.A N ALA 203.A O no hydrogen 3.186 N/A PHE 208.A N SER 204.A O no hydrogen 2.903 N/A ASN 209.A N PRO 205.A O no hydrogen 2.954 N/A GLN 216.A NE2 SER 218.A O no hydrogen 3.332 N/A GLN 216.A NE2 SER 246.A O no hydrogen 2.409 N/A GLN 216.A NE2 ALA 247.A O no hydrogen 3.261 N/A LEU 217.A N ASN 486.A OD1 no hydrogen 3.283 N/A SER 218.A OG ASN 447.A OD1 no hydrogen 2.724 N/A SER 219.A OG SER 219.A O no hydrogen 2.503 N/A PHE 221.A N GLY 249.A O no hydrogen 2.880 N/A LEU 222.A N ALA 444.A O no hydrogen 2.873 N/A LEU 223.A N GLY 251.A O no hydrogen 2.867 N/A SER 224.A OG SER 439.A O no hydrogen 3.107 N/A LYS 226.A NZ GLU 492.A OE2 no hydrogen 3.220 N/A SER 229.A OG ASP 227.A OD2 no hydrogen 3.019 N/A GLY 232.A N SER 229.A OG no hydrogen 3.176 N/A ILE 233.A N SER 229.A O no hydrogen 3.034 N/A TYR 234.A N ILE 230.A O no hydrogen 2.939 N/A ASP 235.A N GLU 231.A O no hydrogen 2.935 N/A THR 236.A N GLY 232.A O no hydrogen 2.966 N/A THR 236.A OG1 GLY 232.A O no hydrogen 2.624 N/A LEU 237.A N ILE 233.A O no hydrogen 2.916 N/A LYS 238.A N TYR 234.A O no hydrogen 2.952 N/A GLN 239.A N ASP 235.A O no hydrogen 2.998 N/A CYS 240.A N THR 236.A O no hydrogen 2.931 N/A CYS 240.A SG THR 236.A O no hydrogen 3.331 N/A ALA 241.A N LEU 237.A O no hydrogen 2.968 N/A LEU 242.A N LYS 238.A O no hydrogen 3.013 N/A ILE 243.A N GLN 239.A O no hydrogen 2.962 N/A SER 244.A N CYS 240.A O no hydrogen 2.972 N/A LYS 245.A N ALA 241.A O no hydrogen 2.926 N/A SER 246.A N LEU 242.A O no hydrogen 3.062 N/A SER 246.A OG ILE 243.A O no hydrogen 3.462 N/A GLY 251.A N PHE 221.A O no hydrogen 2.950 N/A VAL 252.A N ALA 300.A O no hydrogen 2.877 N/A ALA 253.A N LEU 223.A O no hydrogen 2.910 N/A VAL 254.A N TYR 302.A O no hydrogen 2.991 N/A ARG 258.A NE ASP 228.A OD2 no hydrogen 3.454 N/A THR 260.A OG1 ASN 272.A O no hydrogen 3.087 N/A THR 260.A OG1 ASP 309.A OD1 no hydrogen 3.054 N/A GLY 261.A N SER 271.A O no hydrogen 3.020 N/A ILE 264.A N GLY 269.A O no hydrogen 2.912 N/A ASN 268.A N ILE 264.A O no hydrogen 3.000 N/A ASN 270.A ND2 SER 262.A O no hydrogen 3.336 N/A SER 271.A N SER 262.A O no hydrogen 3.251 N/A GLY 273.A N SER 271.A OG no hydrogen 3.024 N/A LEU 278.A N LEU 274.A O no hydrogen 2.877 N/A ARG 279.A N VAL 275.A O no hydrogen 3.005 N/A VAL 280.A N PRO 276.A O no hydrogen 2.939 N/A TYR 281.A N MET 277.A O no hydrogen 3.021 N/A ASN 282.A N LEU 278.A O no hydrogen 2.937 N/A ASN 283.A N ARG 279.A O no hydrogen 3.100 N/A THR 284.A N VAL 280.A O no hydrogen 2.987 N/A THR 284.A OG1 VAL 280.A O no hydrogen 3.099 N/A ALA 285.A N TYR 281.A O no hydrogen 2.961 N/A ARG 286.A N ASN 282.A O no hydrogen 3.022 N/A ARG 286.A NE ASP 329.A OD2 no hydrogen 2.434 N/A ARG 286.A NH2 ASP 329.A OD2 no hydrogen 3.204 N/A TYR 287.A N ASN 283.A O no hydrogen 2.952 N/A VAL 288.A N THR 284.A O no hydrogen 3.334 N/A GLN 290.A N ARG 295.A O no hydrogen 3.079 N/A GLY 291.A N LYS 245.A O no hydrogen 3.292 N/A ASN 293.A ND2 ASP 289.A OD2 no hydrogen 2.509 N/A LYS 294.A N GLN 290.A O no hydrogen 3.341 N/A ARG 295.A NE GLN 290.A OE1 no hydrogen 2.878 N/A ALA 300.A N ILE 250.A O no hydrogen 2.914 N/A ILE 301.A N PHE 331.A O no hydrogen 2.881 N/A TYR 302.A N VAL 252.A O no hydrogen 2.877 N/A TYR 302.A OH ASN 429.A O no hydrogen 2.647 N/A LEU 303.A N ALA 333.A O no hydrogen 3.002 N/A TRP 306.A NE1 GLU 304.A OE1 no hydrogen 2.454 N/A HIS 307.A N GLU 304.A O no hydrogen 3.362 N/A HIS 307.A NE2 ILE 257.A O no hydrogen 2.525 N/A ASP 309.A N HIS 307.A ND1 no hydrogen 3.206 N/A PHE 313.A N ASP 309.A O no hydrogen 2.923 N/A LEU 314.A N ILE 310.A O no hydrogen 2.909 N/A ASP 315.A N PHE 311.A O no hydrogen 2.965 N/A LYS 317.A NZ ARG 328.A O no hydrogen 2.466 N/A LYS 317.A NZ LEU 330.A O no hydrogen 3.288 N/A LYS 318.A NZ ASP 315.A OD1 no hydrogen 2.757 N/A GLN 325.A N LYS 322.A O no hydrogen 3.489 N/A ARG 326.A N GLU 323.A O no hydrogen 3.316 N/A ARG 326.A NH1 GLN 325.A O no hydrogen 3.205 N/A ALA 327.A N LEU 316.A O no hydrogen 3.100 N/A ARG 328.A NE LYS 318.A O no hydrogen 3.129 N/A ARG 328.A NH1 GLU 323.A OE1 no hydrogen 3.106 N/A ARG 328.A NH1 GLU 323.A OE2 no hydrogen 2.725 N/A PHE 331.A N PHE 299.A O no hydrogen 2.896 N/A ALA 333.A N ILE 301.A O no hydrogen 2.924 N/A LEU 334.A N TYR 406.A O no hydrogen 2.935 N/A TRP 335.A N LEU 303.A O no hydrogen 2.931 N/A ILE 336.A N LEU 408.A O no hydrogen 2.884 N/A ASP 338.A N ASP 411.A OD2 no hydrogen 3.200 N/A LYS 342.A N ASP 338.A O no hydrogen 2.933 N/A LYS 342.A NZ GLU 370.A OE2 no hydrogen 3.131 N/A ARG 343.A N LEU 339.A O no hydrogen 2.891 N/A ARG 343.A NH1 ASP 349.A O no hydrogen 2.436 N/A ARG 343.A NH1 GLU 377.A OE2 no hydrogen 2.927 N/A ARG 343.A NH2 GLU 377.A OE1 no hydrogen 2.722 N/A ARG 343.A NH2 GLU 377.A OE2 no hydrogen 3.019 N/A VAL 344.A N PHE 340.A O no hydrogen 2.987 N/A GLU 345.A N MET 341.A O no hydrogen 2.912 N/A THR 346.A N LYS 342.A O no hydrogen 3.119 N/A THR 346.A OG1 LYS 342.A O no hydrogen 3.350 N/A GLN 348.A N ARG 343.A O no hydrogen 3.078 N/A SER 351.A N TYR 373.A OH no hydrogen 2.796 N/A LEU 352.A N LYS 384.A O no hydrogen 2.874 N/A MET 353.A N TRP 306.A O no hydrogen 3.123 N/A CYS 354.A SG SER 262.A OG no hydrogen 2.852 N/A CYS 358.A N CYS 354.A O no hydrogen 2.980 N/A VAL 364.A N LEU 361.A O no hydrogen 3.155 N/A GLY 366.A N ASP 411.A OD1 no hydrogen 2.532 N/A GLU 370.A N GLY 366.A O no hydrogen 2.951 N/A LYS 371.A N GLU 367.A O no hydrogen 2.896 N/A LEU 372.A N GLU 368.A O no hydrogen 2.909 N/A TYR 373.A N PHE 369.A O no hydrogen 2.902 N/A TYR 373.A OH SER 351.A O no hydrogen 3.212 N/A ALA 374.A N GLU 370.A O no hydrogen 2.941 N/A SER 375.A N LYS 371.A O no hydrogen 2.919 N/A SER 375.A OG LYS 371.A O no hydrogen 3.343 N/A SER 375.A OG LEU 372.A O no hydrogen 2.746 N/A TYR 376.A N LEU 372.A O no hydrogen 2.953 N/A TYR 376.A OH PRO 359.A O no hydrogen 3.426 N/A GLU 377.A N TYR 373.A O no hydrogen 2.895 N/A LYS 378.A N SER 375.A O no hydrogen 3.371 N/A GLN 379.A N SER 375.A O no hydrogen 3.386 N/A ARG 381.A NH1 GLU 357.A O no hydrogen 3.481 N/A ARG 383.A N LEU 352.A O no hydrogen 3.281 N/A ARG 383.A NE GLU 357.A OE2 no hydrogen 3.265 N/A ARG 383.A NH2 SER 262.A OG no hydrogen 3.171 N/A ARG 383.A NH2 GLU 357.A OE2 no hydrogen 2.426 N/A LYS 384.A N LEU 352.A O no hydrogen 2.955 N/A VAL 386.A N TRP 350.A O no hydrogen 2.899 N/A ALA 388.A N GLN 348.A O no hydrogen 3.144 N/A GLN 389.A NE2 VAL 344.A O no hydrogen 3.334 N/A GLN 390.A N LYS 387.A O no hydrogen 3.106 N/A TRP 392.A N ALA 388.A O no hydrogen 2.962 N/A TYR 393.A N GLN 389.A O no hydrogen 2.924 N/A ALA 394.A N GLN 390.A O no hydrogen 2.945 N/A ILE 395.A N LEU 391.A O no hydrogen 2.915 N/A ILE 396.A N TRP 392.A O no hydrogen 2.991 N/A GLU 397.A N TYR 393.A O no hydrogen 2.940 N/A SER 398.A N ALA 394.A O no hydrogen 2.952 N/A SER 398.A OG THR 404.A O no hydrogen 2.602 N/A GLN 399.A N ILE 395.A O no hydrogen 2.881 N/A THR 400.A N ILE 396.A O no hydrogen 2.881 N/A THR 400.A OG1 ILE 396.A O no hydrogen 2.299 N/A GLU 401.A N GLU 397.A O no hydrogen 2.933 N/A THR 402.A N SER 398.A O no hydrogen 2.932 N/A THR 402.A OG1 SER 398.A O no hydrogen 3.236 N/A THR 402.A OG1 THR 404.A O no hydrogen 3.387 N/A THR 402.A OG1 THR 404.A OG1 no hydrogen 2.797 N/A THR 404.A OG1 THR 402.A OG1 no hydrogen 2.797 N/A TYR 406.A N PHE 332.A O no hydrogen 2.935 N/A LEU 408.A N LEU 334.A O no hydrogen 2.978 N/A TYR 409.A OH HIS 726.A O no hydrogen 3.077 N/A LYS 410.A N ILE 336.A O no hydrogen 2.576 N/A LYS 410.A NZ GLU 304.A OE1 no hydrogen 3.231 N/A LYS 410.A NZ GLU 304.A OE2 no hydrogen 2.975 N/A LYS 410.A NZ VAL 364.A O no hydrogen 3.299 N/A CYS 413.A N TYR 409.A O no hydrogen 3.117 N/A CYS 413.A SG TYR 409.A O no hydrogen 3.266 N/A CYS 413.A SG LYS 735.A O no hydrogen 3.584 N/A ASN 414.A N LYS 410.A O no hydrogen 2.939 N/A ARG 415.A N ASP 411.A O no hydrogen 2.951 N/A LYS 416.A NZ GLY 733.A O no hydrogen 2.395 N/A ASN 418.A ND2 SER 598.A O no hydrogen 3.201 N/A GLN 419.A N SER 417.A OG no hydrogen 3.328 N/A GLN 420.A NE2 ASN 414.A O no hydrogen 3.667 N/A ASN 421.A ND2 THR 557.A O no hydrogen 3.562 N/A THR 424.A OG1 GLU 363.A O no hydrogen 2.480 N/A ILE 425.A N ASN 414.A OD1 no hydrogen 2.869 N/A CYS 427.A SG LEU 223.A O no hydrogen 4.018 N/A CYS 427.A SG GLY 251.A O no hydrogen 3.971 N/A SER 428.A OG ASN 429.A OD1 no hydrogen 3.429 N/A SER 428.A OG ILE 434.A O no hydrogen 2.605 N/A ASN 429.A ND2 GLU 433.A OE1 no hydrogen 3.004 N/A ASN 429.A ND2 GLU 433.A OE2 no hydrogen 3.145 N/A CYS 431.A SG TYR 739.A OH no hydrogen 3.243 N/A THR 432.A OG1 CYS 431.A O no hydrogen 2.657 N/A GLU 433.A N ASN 429.A OD1 no hydrogen 3.002 N/A ILE 434.A N ASN 429.A OD1 no hydrogen 3.329 N/A TYR 437.A N GLN 419.A OE1 no hydrogen 2.810 N/A SER 439.A N GLU 442.A O no hydrogen 2.917 N/A SER 439.A OG GLU 442.A O no hydrogen 3.474 N/A ASP 441.A N SER 439.A OG no hydrogen 2.957 N/A GLU 442.A N SER 439.A OG no hydrogen 2.498 N/A ALA 444.A N LEU 222.A O no hydrogen 2.976 N/A CYS 446.A N CYS 220.A O no hydrogen 2.923 N/A CYS 446.A SG ASN 447.A O no hydrogen 3.306 N/A CYS 446.A SG ILE 503.A O no hydrogen 3.292 N/A SER 450.A N THR 201.A O no hydrogen 2.901 N/A SER 450.A OG THR 201.A O no hydrogen 3.043 N/A LEU 451.A N GLY 506.A O no hydrogen 2.881 N/A ALA 452.A N TRP 199.A O no hydrogen 3.010 N/A ASN 454.A ND2 ASN 615.A OD1 no hydrogen 2.446 N/A TYR 456.A N LEU 453.A O no hydrogen 2.910 N/A THR 458.A OG1 THR 462.A O no hydrogen 2.566 N/A HIS 461.A N THR 458.A O no hydrogen 3.418 N/A HIS 461.A ND1 LEU 516.A O no hydrogen 2.741 N/A LEU 468.A N PHE 465.A O no hydrogen 3.127 N/A VAL 471.A N LYS 467.A O no hydrogen 2.961 N/A THR 472.A N LEU 468.A O no hydrogen 2.950 N/A THR 472.A OG1 LEU 468.A O no hydrogen 2.464 N/A LYS 473.A N ALA 469.A O no hydrogen 2.928 N/A LYS 473.A NZ GLU 543.A OE2 no hydrogen 3.249 N/A VAL 474.A N GLU 470.A O no hydrogen 3.100 N/A VAL 475.A N VAL 471.A O no hydrogen 2.873 N/A VAL 476.A N THR 472.A O no hydrogen 2.948 N/A ARG 477.A N LYS 473.A O no hydrogen 3.054 N/A ASN 478.A N VAL 474.A O no hydrogen 2.941 N/A LEU 479.A N VAL 475.A O no hydrogen 2.910 N/A ASN 480.A N VAL 476.A O no hydrogen 2.991 N/A LYS 481.A N ARG 477.A O no hydrogen 3.007 N/A LYS 481.A NZ HIS 181.A ND1 no hydrogen 3.255 N/A ILE 482.A N LEU 479.A O no hydrogen 2.726 N/A ILE 483.A N LEU 479.A O no hydrogen 3.028 N/A ILE 485.A N ILE 482.A O no hydrogen 3.042 N/A ASN 486.A N ILE 482.A O no hydrogen 3.238 N/A TYR 487.A N PRO 215.A O no hydrogen 2.858 N/A TYR 488.A OH ILE 483.A O no hydrogen 2.804 N/A GLU 492.A N GLU 492.A OE1 no hydrogen 2.878 N/A ALA 493.A N VAL 490.A O no hydrogen 3.390 N/A SER 496.A OG VAL 443.A O no hydrogen 3.557 N/A ASN 497.A N ALA 493.A O no hydrogen 2.958 N/A ASN 497.A ND2 ASN 497.A O no hydrogen 2.704 N/A LYS 498.A N CYS 494.A O no hydrogen 2.952 N/A ARG 499.A N LEU 495.A O no hydrogen 2.912 N/A HIS 500.A N SER 496.A O no hydrogen 2.965 N/A HIS 500.A ND1 THR 557.A OG1 no hydrogen 3.145 N/A HIS 500.A NE2 GLU 442.A OE1 no hydrogen 2.753 N/A HIS 500.A NE2 GLU 442.A OE2 no hydrogen 3.063 N/A ARG 501.A NH1 ASN 480.A OD1 no hydrogen 3.232 N/A ARG 501.A NH1 ASP 484.A OD1 no hydrogen 2.700 N/A ARG 501.A NH1 ASP 484.A OD2 no hydrogen 3.276 N/A ARG 501.A NH2 ASP 484.A OD1 no hydrogen 3.047 N/A ILE 503.A N LEU 599.A O no hydrogen 3.150 N/A ILE 505.A N LEU 600.A O no hydrogen 3.154 N/A GLY 506.A N ALA 449.A O no hydrogen 2.891 N/A GLN 508.A N LEU 451.A O no hydrogen 2.890 N/A LEU 510.A N SER 618.A O no hydrogen 3.173 N/A PHE 514.A N LEU 510.A O no hydrogen 2.948 N/A ILE 515.A N ALA 511.A O no hydrogen 2.915 N/A LEU 516.A N ASP 512.A O no hydrogen 2.894 N/A MET 517.A N ALA 513.A O no hydrogen 2.917 N/A ARG 518.A N ILE 515.A O no hydrogen 2.892 N/A TYR 519.A N PHE 514.A O no hydrogen 3.014 N/A SER 523.A N PRO 520.A O no hydrogen 3.446 N/A SER 523.A OG PRO 520.A O no hydrogen 2.899 N/A GLU 525.A N GLU 525.A OE1 no hydrogen 2.969 N/A ALA 526.A N SER 523.A OG no hydrogen 3.121 N/A LEU 528.A N ALA 524.A O no hydrogen 2.899 N/A ASN 530.A N ALA 526.A O no hydrogen 2.946 N/A GLN 532.A N LEU 528.A O no hydrogen 2.990 N/A ILE 533.A N LEU 529.A O no hydrogen 2.856 N/A PHE 534.A N ASN 530.A O no hydrogen 2.956 N/A GLU 535.A N LYS 531.A O no hydrogen 2.980 N/A THR 536.A N GLN 532.A O no hydrogen 2.962 N/A THR 536.A OG1 GLN 532.A O no hydrogen 2.948 N/A ILE 537.A N ILE 533.A O no hydrogen 2.848 N/A TYR 538.A N PHE 534.A O no hydrogen 2.909 N/A TYR 539.A N GLU 535.A O no hydrogen 2.911 N/A TYR 539.A OH ASP 582.A O no hydrogen 3.164 N/A GLY 540.A N THR 536.A O no hydrogen 2.892 N/A ALA 541.A N ILE 537.A O no hydrogen 2.908 N/A LEU 542.A N TYR 538.A O no hydrogen 2.986 N/A GLU 543.A N TYR 539.A O no hydrogen 2.919 N/A ALA 544.A N GLY 540.A O no hydrogen 2.925 N/A SER 545.A N ALA 541.A O no hydrogen 2.948 N/A CYS 546.A N LEU 542.A O no hydrogen 2.915 N/A ASP 547.A N GLU 543.A O no hydrogen 2.932 N/A LEU 548.A N ALA 544.A O no hydrogen 2.929 N/A ALA 549.A N SER 545.A O no hydrogen 2.941 N/A LYS 550.A N CYS 546.A O no hydrogen 2.919 N/A GLU 551.A N LEU 548.A O no hydrogen 2.965 N/A GLN 552.A N LEU 548.A O no hydrogen 2.954 N/A GLY 553.A N ALA 549.A O no hydrogen 3.159 N/A THR 557.A OG1 HIS 500.A ND1 no hydrogen 3.145 N/A GLY 560.A N SER 564.A OG no hydrogen 3.327 N/A SER 561.A N TYR 558.A O no hydrogen 2.964 N/A SER 561.A OG TYR 558.A O no hydrogen 2.862 N/A SER 564.A OG SER 561.A O no hydrogen 2.311 N/A LYS 565.A N SER 561.A O no hydrogen 3.237 N/A GLY 566.A N VAL 563.A O no hydrogen 2.943 N/A GLN 569.A N TYR 538.A OH no hydrogen 3.171 N/A GLN 569.A NE2 LYS 416.A O no hydrogen 3.055 N/A TRP 573.A N TYR 570.A O no hydrogen 3.102 N/A ASN 574.A N ASP 571.A O no hydrogen 2.931 N/A VAL 575.A N TYR 570.A O no hydrogen 3.033 N/A THR 578.A N GLU 535.A OE2 no hydrogen 2.791 N/A THR 578.A OG1 GLU 535.A OE1 no hydrogen 2.397 N/A THR 578.A OG1 GLU 535.A OE2 no hydrogen 3.244 N/A TRP 581.A NE1 THR 536.A OG1 no hydrogen 3.156 N/A LYS 587.A N TRP 583.A O no hydrogen 2.942 N/A LYS 587.A NZ GLY 566.A O no hydrogen 3.203 N/A GLU 588.A N LYS 584.A O no hydrogen 2.902 N/A LYS 589.A N VAL 585.A O no hydrogen 2.967 N/A ILE 590.A N LEU 586.A O no hydrogen 2.892 N/A ALA 591.A N LYS 587.A O no hydrogen 2.906 N/A LYS 592.A N LYS 589.A O no hydrogen 3.312 N/A GLY 594.A N ILE 590.A O no hydrogen 2.665 N/A ARG 596.A N SER 545.A O no hydrogen 3.247 N/A ARG 596.A N SER 545.A OG no hydrogen 2.631 N/A ARG 596.A NH1 GLY 553.A O no hydrogen 2.487 N/A ASN 597.A N SER 545.A OG no hydrogen 3.074 N/A ASN 597.A ND2 ARG 501.A O no hydrogen 3.405 N/A SER 598.A N ARG 501.A O no hydrogen 3.410 N/A LEU 600.A N ASP 705.A OD2 no hydrogen 2.503 N/A ILE 601.A N ASP 705.A OD1 no hydrogen 2.629 N/A ALA 602.A N ILE 505.A O no hydrogen 2.651 N/A THR 606.A OG1 PRO 605.A O no hydrogen 2.584 N/A GLN 611.A N ALA 607.A O no hydrogen 2.965 N/A ILE 612.A N SER 608.A O no hydrogen 2.939 N/A LEU 613.A N THR 609.A O no hydrogen 2.979 N/A GLY 614.A N ALA 610.A O no hydrogen 3.052 N/A GLU 617.A N ASN 616.A OD1 no hydrogen 2.646 N/A SER 618.A N PRO 605.A O no hydrogen 3.441 N/A SER 618.A OG VAL 507.A O no hydrogen 2.314 N/A SER 618.A OG MET 604.A O no hydrogen 3.381 N/A TYR 622.A OH ASP 512.A OD1 no hydrogen 2.369 N/A SER 624.A OG ILE 626.A O no hydrogen 2.244 N/A ASN 625.A ND2 GLY 666.A O no hydrogen 2.571 N/A ASN 625.A ND2 TYR 682.A O no hydrogen 3.527 N/A TYR 627.A N ILE 638.A O no hydrogen 2.911 N/A ARG 629.A N PHE 636.A O no hydrogen 2.843 N/A ARG 629.A NE THR 628.A O no hydrogen 2.501 N/A ARG 629.A NH2 GLN 611.A OE1 no hydrogen 3.565 N/A GLY 634.A N VAL 631.A O no hydrogen 2.940 N/A PHE 636.A N ARG 629.A O no hydrogen 3.036 N/A ILE 638.A N TYR 627.A O no hydrogen 2.931 N/A LEU 644.A N ASN 640.A O no hydrogen 2.966 N/A LYS 645.A N PRO 641.A O no hydrogen 2.900 N/A ASP 646.A N HIS 642.A O no hydrogen 2.962 N/A LEU 647.A N LEU 643.A O no hydrogen 2.898 N/A THR 648.A N LEU 644.A O no hydrogen 2.953 N/A THR 648.A OG1 LEU 644.A O no hydrogen 3.255 N/A THR 648.A OG1 LYS 645.A O no hydrogen 3.322 N/A ARG 650.A N ASP 646.A O no hydrogen 2.904 N/A TRP 653.A N LEU 647.A O no hydrogen 3.323 N/A GLU 656.A N HIS 654.A ND1 no hydrogen 3.056 N/A GLN 660.A N GLU 656.A O no hydrogen 2.922 N/A ILE 661.A N MET 657.A O no hydrogen 2.991 N/A ILE 661.A N LYS 658.A O no hydrogen 2.960 N/A CYS 664.A SG SER 670.A OG no hydrogen 2.702 N/A ASN 665.A N ILE 662.A O no hydrogen 3.448 N/A SER 667.A N CYS 664.A O no hydrogen 3.430 N/A SER 670.A OG SER 667.A O no hydrogen 3.488 N/A ILE 671.A N ILE 668.A O no hydrogen 3.516 N/A LYS 679.A NZ GLN 669.A O no hydrogen 3.490 N/A LYS 679.A NZ ASP 676.A OD1 no hydrogen 3.207 N/A GLN 680.A N ASP 677.A O no hydrogen 3.021 N/A LEU 681.A N ASP 677.A O no hydrogen 2.913 N/A TYR 682.A N LEU 678.A O no hydrogen 2.905 N/A TYR 682.A OH ASP 646.A OD2 no hydrogen 2.661 N/A VAL 685.A N TYR 622.A O no hydrogen 3.334 N/A GLU 687.A N THR 684.A O no hydrogen 2.819 N/A ILE 688.A N VAL 685.A O no hydrogen 3.276 N/A GLN 690.A NE2 VAL 685.A O no hydrogen 3.621 N/A THR 692.A OG1 GLU 522.A OE2 no hydrogen 3.437 N/A LEU 694.A N GLN 690.A O no hydrogen 2.916 N/A LYS 695.A N LYS 691.A O no hydrogen 2.938 N/A MET 696.A N THR 692.A O no hydrogen 2.925 N/A ALA 697.A N VAL 693.A O no hydrogen 2.826 N/A ALA 698.A N LEU 694.A O no hydrogen 2.901 N/A GLU 699.A N LYS 695.A O no hydrogen 2.992 N/A ARG 700.A N MET 696.A O no hydrogen 2.918 N/A GLY 701.A N ALA 697.A O no hydrogen 2.899 N/A ALA 702.A N ALA 698.A O no hydrogen 2.918 N/A PHE 703.A N GLU 699.A O no hydrogen 3.125 N/A PHE 703.A N ARG 700.A O no hydrogen 2.797 N/A ILE 704.A N GLY 701.A O no hydrogen 3.319 N/A GLN 706.A NE2 GLU 436.A OE2 no hydrogen 3.461 N/A SER 707.A OG THR 432.A O no hydrogen 3.421 N/A SER 707.A OG GLN 708.A O no hydrogen 3.455 N/A SER 707.A OG THR 736.A OG1 no hydrogen 2.286 N/A GLN 708.A N SER 707.A OG no hydrogen 2.537 N/A GLN 708.A NE2 ALA 697.A O no hydrogen 3.227 N/A SER 709.A N PRO 603.A O no hydrogen 3.403 N/A SER 709.A OG CYS 431.A O no hydrogen 3.037 N/A ASN 711.A ND2 GLU 617.A OE2 no hydrogen 3.357 N/A ILE 712.A N TYR 740.A O no hydrogen 2.923 N/A HIS 713.A NE2 GLU 620.A OE1 no hydrogen 2.554 N/A ILE 714.A N ARG 742.A O no hydrogen 2.950 N/A LEU 722.A N ASN 718.A O no hydrogen 3.414 N/A THR 723.A N TYR 719.A O no hydrogen 2.886 N/A THR 723.A OG1 TYR 719.A O no hydrogen 2.615 N/A SER 724.A N GLY 720.A O no hydrogen 2.895 N/A SER 724.A OG GLY 720.A O no hydrogen 2.405 N/A HIS 726.A N LEU 722.A O no hydrogen 2.897 N/A HIS 726.A NE2 GLN 399.A OE1 no hydrogen 3.165 N/A PHE 727.A N THR 723.A O no hydrogen 2.973 N/A TYR 728.A N SER 724.A O no hydrogen 2.879 N/A GLY 729.A N MET 725.A O no hydrogen 2.896 N/A TRP 730.A N HIS 726.A O no hydrogen 2.932 N/A TRP 730.A NE1 ASP 338.A OD1 no hydrogen 2.634 N/A LYS 731.A N PHE 727.A O no hydrogen 2.906 N/A GLN 732.A N TYR 728.A O no hydrogen 2.916 N/A GLY 733.A N GLY 729.A O no hydrogen 3.219 N/A LEU 734.A N GLY 729.A O no hydrogen 3.018 N/A LYS 735.A NZ LYS 416.A O no hydrogen 2.810 N/A THR 736.A OG1 SER 707.A OG no hydrogen 2.286 N/A GLY 737.A N MET 407.A O no hydrogen 2.818 N/A TYR 739.A N LEU 710.A O no hydrogen 2.991 N/A ARG 742.A N ILE 712.A O no hydrogen 2.889 N/A