Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pu4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 GLN 269.A O no hydrogen 2.686 N/A SER 10.A N GLU 13.A OE1 no hydrogen 3.111 N/A SER 10.A OG GLU 13.A OE1 no hydrogen 3.121 N/A ARG 11.A NH1 THR 367.A OG1 no hydrogen 3.168 N/A GLU 13.A N SER 10.A OG no hydrogen 3.425 N/A LEU 14.A N SER 10.A O no hydrogen 3.193 N/A THR 15.A N ARG 11.A O no hydrogen 2.973 N/A THR 15.A OG1 ARG 11.A O no hydrogen 2.709 N/A ALA 16.A N GLU 12.A O no hydrogen 3.024 N/A VAL 17.A N GLU 13.A O no hydrogen 3.052 N/A MET 18.A N LEU 14.A O no hydrogen 2.847 N/A ARG 19.A N THR 15.A O no hydrogen 2.823 N/A PHE 20.A N ALA 16.A O no hydrogen 3.162 N/A LEU 21.A N VAL 17.A O no hydrogen 3.091 N/A THR 22.A N MET 18.A O no hydrogen 2.906 N/A THR 22.A OG1 MET 18.A O no hydrogen 3.251 N/A GLN 23.A N ARG 19.A O no hydrogen 3.187 N/A ARG 24.A N LEU 21.A O no hydrogen 2.960 N/A ARG 24.A NH1 PHE 20.A O no hydrogen 3.342 N/A VAL 30.A N ASN 40.A O no hydrogen 3.113 N/A ALA 33.A N ASP 31.A OD1 no hydrogen 3.508 N/A GLN 34.A N ASP 31.A O no hydrogen 3.299 N/A ALA 35.A N ALA 32.A O no hydrogen 3.284 N/A ARG 36.A N ASP 39.A OD2 no hydrogen 3.102 N/A ASP 39.A N ARG 36.A O no hydrogen 2.995 N/A ASN 40.A ND2 PHE 75.A O no hydrogen 3.678 N/A PHE 43.A N ILE 73.A O no hydrogen 2.875 N/A SER 44.A N ILE 73.A O no hydrogen 3.437 N/A VAL 45.A N LEU 359.A O no hydrogen 2.944 N/A GLU 46.A N LEU 71.A O no hydrogen 3.190 N/A GLN 48.A N GLU 69.A O no hydrogen 3.062 N/A GLN 48.A NE2 LEU 49.A O no hydrogen 2.915 N/A LYS 52.A N GLU 581.A OE2 no hydrogen 3.051 N/A LYS 52.A NZ ASP 471.A OD1 no hydrogen 3.114 N/A LYS 52.A NZ ASP 471.A OD2 no hydrogen 2.888 N/A LYS 52.A NZ ASP 473.A OD1 no hydrogen 3.038 N/A LYS 52.A NZ ASP 473.A OD2 no hydrogen 3.403 N/A LYS 52.A NZ ASP 615.A OD1 no hydrogen 2.932 N/A LYS 52.A NZ ASP 615.A OD2 no hydrogen 2.361 N/A ALA 55.A N PRO 51.A O no hydrogen 3.194 N/A LEU 56.A N LYS 52.A O no hydrogen 2.968 N/A ALA 57.A N ALA 53.A O no hydrogen 3.045 N/A HIS 58.A N ALA 54.A O no hydrogen 3.167 N/A HIS 58.A ND1 SER 63.A O no hydrogen 2.764 N/A LEU 59.A N ALA 55.A O no hydrogen 2.866 N/A ASP 60.A N LEU 56.A O no hydrogen 2.638 N/A SER 63.A N ALA 57.A O no hydrogen 3.069 N/A SER 63.A OG ALA 57.A O no hydrogen 3.341 N/A ARG 68.A NE GLU 13.A OE2 no hydrogen 2.690 N/A ARG 68.A NH2 ALA 7.A O no hydrogen 2.735 N/A ALA 70.A N VAL 89.A O no hydrogen 2.976 N/A LEU 71.A N GLU 46.A O no hydrogen 2.754 N/A ALA 72.A N LEU 87.A O no hydrogen 2.805 N/A ILE 73.A N SER 44.A O no hydrogen 2.990 N/A VAL 74.A N SER 85.A O no hydrogen 2.789 N/A PHE 75.A N CYS 41.A O no hydrogen 2.769 N/A PHE 76.A N ASN 83.A O no hydrogen 3.063 N/A GLY 77.A N ASP 39.A O no hydrogen 2.867 N/A GLN 79.A N GLY 77.A O no hydrogen 3.144 N/A GLN 79.A NE2 GLN 81.A O no hydrogen 3.079 N/A VAL 84.A N LEU 110.A O no hydrogen 2.997 N/A SER 85.A N VAL 74.A O no hydrogen 3.038 N/A SER 85.A OG ASN 83.A OD1 no hydrogen 3.047 N/A SER 85.A OG THR 102.A OG1 no hydrogen 3.421 N/A GLU 86.A N THR 102.A OG1 no hydrogen 2.980 N/A LEU 87.A N ALA 72.A O no hydrogen 2.724 N/A VAL 88.A N ARG 99.A O no hydrogen 2.979 N/A VAL 89.A N ALA 70.A O no hydrogen 2.895 N/A GLY 90.A N TYR 97.A O no hydrogen 3.374 N/A LEU 92.A N ARG 68.A O no hydrogen 3.121 N/A SER 96.A N GLY 90.A O no hydrogen 3.028 N/A TYR 97.A N GLY 90.A O no hydrogen 2.985 N/A TYR 97.A OH GLU 69.A OE2 no hydrogen 2.596 N/A ARG 99.A N VAL 88.A O no hydrogen 2.998 N/A ARG 99.A NH2 GLU 69.A OE2 no hydrogen 3.356 N/A THR 102.A N ASP 100.A OD1 no hydrogen 3.306 N/A THR 102.A OG1 GLU 86.A O no hydrogen 3.364 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.362 N/A ARG 105.A N VAL 101.A O no hydrogen 2.971 N/A ARG 105.A NH2 GLN 48.A OE1 no hydrogen 2.685 N/A HIS 106.A N THR 102.A O no hydrogen 3.086 N/A HIS 106.A NE2 GLU 86.A OE2 no hydrogen 2.697 N/A TYR 112.A OH PRO 37.A O no hydrogen 2.621 N/A ARG 114.A N PRO 111.A O no hydrogen 3.034 N/A ARG 115.A N TYR 112.A O no hydrogen 3.379 N/A ARG 115.A NH1 TYR 112.A O no hydrogen 3.341 N/A PHE 119.A N GLU 361.A OE1 no hydrogen 2.775 N/A TYR 122.A N LEU 118.A O no hydrogen 2.989 N/A LEU 123.A N PHE 119.A O no hydrogen 3.228 N/A ASP 124.A N GLN 120.A O no hydrogen 2.871 N/A ILE 125.A N GLU 121.A O no hydrogen 2.945 N/A ASP 126.A N TYR 122.A O no hydrogen 3.030 N/A GLN 127.A N LEU 123.A O no hydrogen 2.950 N/A MET 128.A N ASP 124.A O no hydrogen 3.080 N/A ILE 129.A N ILE 125.A O no hydrogen 2.811 N/A PHE 130.A N ASP 126.A O no hydrogen 2.979 N/A ASN 131.A N GLN 127.A O no hydrogen 2.901 N/A ARG 132.A NH1 PRO 199.A O no hydrogen 3.506 N/A GLU 133.A N MET 128.A O no hydrogen 2.969 N/A LEU 134.A N ILE 129.A O no hydrogen 2.848 N/A GLN 136.A N GLU 133.A O no hydrogen 3.150 N/A GLN 136.A NE2 ARG 132.A O no hydrogen 3.381 N/A ALA 137.A N LEU 134.A O no hydrogen 2.962 N/A SER 138.A N PRO 135.A O no hydrogen 3.070 N/A LEU 141.A N ALA 137.A O no hydrogen 3.064 N/A HIS 142.A N SER 138.A O no hydrogen 3.235 N/A HIS 142.A N GLY 139.A O no hydrogen 3.255 N/A HIS 143.A N GLY 139.A O no hydrogen 3.212 N/A CYS 144.A N LEU 140.A O no hydrogen 3.136 N/A CYS 144.A SG LEU 140.A O no hydrogen 3.131 N/A TYR 147.A N LEU 141.A O no hydrogen 3.187 N/A MET 154.A N GLY 171.A O no hydrogen 3.128 N/A THR 156.A OG1 TRP 169.A O no hydrogen 2.417 N/A ARG 159.A NE THR 168.A OG1 no hydrogen 2.705 N/A ARG 159.A NH1 ASN 593.A OD1 no hydrogen 3.110 N/A ARG 159.A NH2 TYR 122.A OH no hydrogen 3.089 N/A LEU 161.A N ASP 165.A OD2 no hydrogen 3.159 N/A SER 163.A OG ASP 594.A OD1 no hydrogen 3.193 N/A SER 163.A OG ASP 594.A OD2 no hydrogen 2.907 N/A ASP 165.A N GLN 162.A O no hydrogen 3.144 N/A ARG 166.A NE GLU 121.A OE1 no hydrogen 2.811 N/A ARG 166.A NH1 ARG 115.A O no hydrogen 3.041 N/A ARG 166.A NH2 ARG 115.A O no hydrogen 3.182 N/A ARG 166.A NH2 GLU 121.A OE1 no hydrogen 2.707 N/A ALA 167.A N ARG 159.A O no hydrogen 3.232 N/A THR 168.A N VAL 192.A O no hydrogen 3.012 N/A PHE 170.A N LEU 190.A O no hydrogen 2.932 N/A GLY 171.A N MET 154.A O no hydrogen 3.223 N/A LEU 172.A N LEU 188.A O no hydrogen 3.114 N/A TYR 173.A N VAL 152.A O no hydrogen 2.941 N/A TYR 174.A N HIS 184.A O no hydrogen 3.103 N/A TYR 174.A OH ILE 234.A O no hydrogen 3.034 N/A ASN 175.A N ASN 150.A O no hydrogen 2.958 N/A ASN 175.A ND2 ARG 149.A O no hydrogen 3.442 N/A GLY 180.A N TYR 436.A OH no hydrogen 3.259 N/A HIS 184.A N PHE 181.A O no hydrogen 3.019 N/A HIS 184.A NE2 SER 242.A O no hydrogen 2.598 N/A VAL 186.A N LEU 172.A O no hydrogen 2.997 N/A GLU 189.A N PHE 208.A O no hydrogen 2.940 N/A LEU 190.A N PHE 170.A O no hydrogen 3.071 N/A LEU 191.A N LYS 206.A O no hydrogen 3.089 N/A VAL 192.A N THR 168.A O no hydrogen 2.911 N/A ASN 193.A N THR 203.A O no hydrogen 3.364 N/A HIS 194.A N ARG 166.A O no hydrogen 3.169 N/A LYS 195.A NZ GLY 164.A O no hydrogen 2.532 N/A ALA 200.A N ASP 198.A OD1 no hydrogen 3.132 N/A ARG 201.A N ASP 198.A O no hydrogen 2.807 N/A TRP 202.A N PRO 199.A O no hydrogen 3.308 N/A TRP 202.A NE1 ALA 196.A O no hydrogen 3.022 N/A VAL 207.A N TYR 214.A O no hydrogen 3.077 N/A PHE 208.A N GLU 189.A O no hydrogen 2.992 N/A TYR 209.A N ARG 212.A O no hydrogen 3.075 N/A GLN 210.A N GLY 187.A O no hydrogen 3.272 N/A GLN 210.A NE2 VAL 186.A O no hydrogen 3.603 N/A ARG 212.A N TYR 209.A O no hydrogen 3.035 N/A TYR 214.A N VAL 207.A O no hydrogen 3.149 N/A GLN 219.A N SER 216.A OG no hydrogen 3.124 N/A GLN 219.A NE2 ASP 215.A OD2 no hydrogen 3.507 N/A LEU 220.A N SER 216.A O no hydrogen 3.280 N/A GLU 221.A N LEU 217.A O no hydrogen 3.121 N/A ALA 222.A N ALA 218.A O no hydrogen 3.004 N/A GLN 223.A N GLN 219.A O no hydrogen 3.344 N/A PHE 224.A N LEU 220.A O no hydrogen 3.091 N/A GLU 225.A N GLU 221.A O no hydrogen 3.090 N/A ALA 226.A N ALA 222.A O no hydrogen 2.905 N/A GLY 227.A N PHE 224.A O no hydrogen 3.001 N/A LEU 228.A N GLN 223.A O no hydrogen 2.937 N/A VAL 232.A N GLN 210.A OE1 no hydrogen 3.418 N/A SER 242.A N GLY 240.A O no hydrogen 2.944 N/A SER 244.A OG LYS 246.A O no hydrogen 3.420 N/A LYS 246.A N SER 244.A OG no hydrogen 3.171 N/A VAL 249.A N SER 247.A OG no hydrogen 3.030 N/A GLN 258.A NE2 ASN 378.A O no hydrogen 3.379 N/A GLY 263.A N TYR 260.A O no hydrogen 3.246 N/A ARG 265.A NE GLU 376.A OE1 no hydrogen 3.324 N/A ARG 265.A NE GLU 376.A OE2 no hydrogen 3.233 N/A ARG 265.A NH1 ASP 663.A OD1 no hydrogen 3.213 N/A ARG 265.A NH1 ASP 663.A OD2 no hydrogen 2.788 N/A ARG 265.A NH2 GLU 376.A OE1 no hydrogen 2.920 N/A ARG 265.A NH2 ASP 663.A OD2 no hydrogen 3.152 N/A SER 267.A N ALA 274.A O no hydrogen 2.885 N/A GLN 269.A N ARG 272.A O no hydrogen 2.894 N/A SER 271.A N GLN 4.A OE1 no hydrogen 3.130 N/A SER 271.A OG GLN 4.A OE1 no hydrogen 2.992 N/A SER 271.A OG SER 281.A OG no hydrogen 3.296 N/A ARG 272.A N GLN 269.A O no hydrogen 3.271 N/A ARG 272.A NH1 ASP 294.A OD2 no hydrogen 3.240 N/A ARG 272.A NH2 ASP 294.A O no hydrogen 3.460 N/A ARG 272.A NH2 ASP 294.A OD2 no hydrogen 3.233 N/A VAL 273.A N PHE 280.A O no hydrogen 2.882 N/A ALA 274.A N SER 267.A O no hydrogen 2.998 N/A SER 275.A N TRP 278.A O no hydrogen 2.824 N/A SER 275.A OG TRP 278.A O no hydrogen 3.500 N/A LEU 277.A N SER 275.A OG no hydrogen 3.223 N/A TRP 278.A N SER 275.A OG no hydrogen 3.187 N/A TRP 278.A NE1 HIS 422.A O no hydrogen 3.144 N/A THR 279.A N ARG 296.A O no hydrogen 3.055 N/A PHE 280.A N VAL 273.A O no hydrogen 3.053 N/A SER 281.A N PHE 293.A O no hydrogen 2.908 N/A SER 281.A OG SER 271.A O no hydrogen 3.431 N/A SER 281.A OG SER 271.A OG no hydrogen 3.296 N/A PHE 282.A N SER 271.A O no hydrogen 2.757 N/A GLY 283.A N ARG 291.A O no hydrogen 2.942 N/A LEU 284.A N ASP 8.A OD1 no hydrogen 2.980 N/A GLY 285.A N GLY 289.A O no hydrogen 2.997 N/A ALA 286.A N GLU 46.A OE1 no hydrogen 2.938 N/A SER 288.A OG GLY 289.A O no hydrogen 3.058 N/A SER 288.A OG LEU 308.A O no hydrogen 3.199 N/A GLY 289.A N GLY 285.A O no hydrogen 3.088 N/A ARG 291.A N GLY 283.A O no hydrogen 3.114 N/A ILE 292.A N ILE 306.A O no hydrogen 2.831 N/A PHE 293.A N SER 281.A O no hydrogen 2.925 N/A ASP 294.A N TYR 304.A O no hydrogen 2.967 N/A VAL 295.A N VAL 303.A O no hydrogen 3.026 N/A ARG 296.A N THR 279.A O no hydrogen 2.717 N/A ARG 296.A NE ASP 294.A OD1 no hydrogen 3.167 N/A ARG 296.A NH2 ASP 294.A OD1 no hydrogen 3.249 N/A ARG 296.A NH2 ASP 294.A OD2 no hydrogen 2.554 N/A PHE 297.A N GLU 300.A O no hydrogen 2.865 N/A GLN 298.A N LEU 277.A O no hydrogen 2.768 N/A GLU 300.A N PHE 297.A O no hydrogen 2.968 N/A ARG 301.A NE ASP 294.A OD1 no hydrogen 2.653 N/A ARG 301.A NH1 ASP 60.A OD2 no hydrogen 3.186 N/A ARG 301.A NH2 ASP 60.A OD1 no hydrogen 2.857 N/A ARG 301.A NH2 ASP 60.A OD2 no hydrogen 3.421 N/A LEU 302.A N VAL 295.A O no hydrogen 2.877 N/A TYR 304.A N ASP 471.A O no hydrogen 2.973 N/A ILE 306.A N ILE 292.A O no hydrogen 3.006 N/A SER 307.A N LYS 469.A O no hydrogen 3.111 N/A SER 307.A OG GLU 305.A OE2 no hydrogen 2.967 N/A SER 307.A OG GLN 309.A OE1 no hydrogen 3.298 N/A LEU 308.A N PRO 290.A O no hydrogen 3.031 N/A GLN 309.A N HIS 467.A O no hydrogen 2.891 N/A GLN 309.A NE2 SER 585.A OG no hydrogen 2.815 N/A LEU 312.A N SER 465.A O no hydrogen 2.679 N/A ALA 313.A N TYR 327.A O no hydrogen 3.088 N/A ILE 314.A N THR 463.A O no hydrogen 3.127 N/A TYR 315.A N THR 325.A O no hydrogen 3.043 N/A GLY 316.A N VAL 461.A O no hydrogen 3.241 N/A SER 319.A OG GLU 189.A OE2 no hydrogen 2.909 N/A ALA 321.A N GLU 189.A OE1 no hydrogen 2.817 N/A MET 323.A N SER 319.A O no hydrogen 3.154 N/A THR 324.A N PRO 320.A O no hydrogen 3.194 N/A THR 324.A OG1 PRO 320.A O no hydrogen 3.198 N/A THR 325.A N ALA 322.A O no hydrogen 3.216 N/A THR 325.A OG1 ALA 321.A O no hydrogen 2.521 N/A ARG 326.A NE THR 325.A O no hydrogen 3.094 N/A ARG 326.A NH2 TYR 315.A O no hydrogen 3.138 N/A TYR 327.A N ALA 313.A O no hydrogen 2.902 N/A TYR 327.A OH THR 155.A O no hydrogen 2.880 N/A VAL 328.A N GLN 592.A OE1 no hydrogen 3.201 N/A ASP 329.A N ALA 311.A O no hydrogen 3.090 N/A GLY 330.A N GLU 310.A OE2 no hydrogen 2.399 N/A GLY 331.A N VAL 328.A O no hydrogen 2.926 N/A PHE 332.A N ASP 329.A O no hydrogen 3.102 N/A GLY 333.A N ASP 329.A O no hydrogen 2.886 N/A MET 334.A N PHE 287.A O no hydrogen 3.325 N/A GLY 335.A N ALA 286.A O no hydrogen 2.995 N/A LYS 336.A N ALA 286.A O no hydrogen 3.024 N/A LYS 336.A NZ GLU 361.A OE2 no hydrogen 3.159 N/A TYR 337.A N GLY 333.A O no hydrogen 2.965 N/A THR 338.A N GLY 335.A O no hydrogen 3.058 N/A THR 338.A OG1 MET 334.A O no hydrogen 3.299 N/A THR 338.A OG1 GLY 335.A O no hydrogen 2.537 N/A THR 339.A N MET 408.A O no hydrogen 3.075 N/A THR 339.A OG1 MET 408.A O no hydrogen 3.127 N/A THR 339.A OG1 THR 410.A OG1 no hydrogen 2.935 N/A LEU 341.A N ASP 370.A O no hydrogen 2.975 N/A THR 342.A N ASP 346.A OD2 no hydrogen 2.827 N/A THR 342.A OG1 HIS 699.A NE2 no hydrogen 2.870 N/A ARG 343.A NH2 ASP 370.A OD2 no hydrogen 3.137 N/A GLY 344.A N CYS 347.A O no hydrogen 2.955 N/A VAL 345.A N THR 342.A O no hydrogen 3.086 N/A ASP 346.A N THR 342.A O no hydrogen 3.030 N/A TYR 349.A OH PRO 695.A O no hydrogen 2.833 N/A ALA 351.A N PRO 348.A O no hydrogen 3.301 N/A THR 352.A N VAL 374.A O no hydrogen 3.019 N/A TYR 353.A OH PRO 348.A O no hydrogen 2.449 N/A VAL 354.A N PHE 372.A O no hydrogen 3.017 N/A TRP 356.A N ILE 368.A O no hydrogen 3.084 N/A PHE 358.A N LYS 366.A O no hydrogen 3.030 N/A GLU 361.A N PHE 43.A O no hydrogen 2.933 N/A SER 362.A OG ALA 364.A O no hydrogen 2.418 N/A LYS 366.A N PHE 358.A O no hydrogen 2.935 N/A ILE 368.A N TRP 356.A O no hydrogen 2.821 N/A ASP 370.A N ASP 355.A OD1 no hydrogen 3.069 N/A PHE 372.A N VAL 354.A O no hydrogen 3.169 N/A CYS 373.A N ARG 406.A O no hydrogen 3.094 N/A VAL 374.A N THR 352.A O no hydrogen 2.950 N/A PHE 375.A N VAL 404.A O no hydrogen 3.012 N/A GLN 377.A N VAL 402.A O no hydrogen 2.829 N/A GLN 379.A N GLU 400.A O no hydrogen 3.034 N/A LEU 383.A N LEU 398.A O no hydrogen 2.915 N/A ARG 384.A NE SER 658.A OG no hydrogen 2.983 N/A ARG 384.A NH2 SER 658.A O no hydrogen 2.926 N/A HIS 386.A N GLY 396.A O no hydrogen 3.129 N/A SER 388.A N TYR 394.A O no hydrogen 2.988 N/A SER 388.A OG HIS 386.A NE2 no hydrogen 3.425 N/A SER 388.A OG TYR 394.A OH no hydrogen 3.365 N/A SER 392.A N LEU 390.A O no hydrogen 2.559 N/A TYR 394.A N SER 388.A O no hydrogen 3.282 N/A PHE 395.A N PHE 667.A O no hydrogen 3.003 N/A GLY 396.A N HIS 386.A O no hydrogen 3.019 N/A GLY 397.A N ILE 665.A O no hydrogen 3.115 N/A LEU 398.A N ARG 384.A O no hydrogen 3.153 N/A GLU 400.A N LEU 381.A O no hydrogen 3.131 N/A VAL 402.A N GLN 377.A O no hydrogen 2.970 N/A LEU 403.A N PHE 421.A O no hydrogen 3.275 N/A VAL 404.A N PHE 375.A O no hydrogen 2.877 N/A VAL 405.A N THR 419.A O no hydrogen 2.961 N/A ARG 406.A N CYS 373.A O no hydrogen 3.037 N/A ARG 406.A NE ASP 418.A OD1 no hydrogen 2.515 N/A ARG 406.A NH1 ASP 346.A O no hydrogen 2.800 N/A ARG 406.A NH2 ASP 418.A OD2 no hydrogen 3.151 N/A SER 407.A N TRP 417.A O no hydrogen 3.226 N/A SER 409.A N TYR 415.A O no hydrogen 2.939 N/A SER 409.A OG MET 334.A O no hydrogen 2.401 N/A THR 410.A N TYR 337.A O no hydrogen 2.875 N/A THR 410.A OG1 THR 339.A OG1 no hydrogen 2.935 N/A THR 410.A OG1 ASP 414.A OD1 no hydrogen 2.764 N/A ASP 414.A N THR 434.A O no hydrogen 2.851 N/A TYR 415.A N SER 409.A O no hydrogen 2.920 N/A TYR 415.A OH ASP 329.A OD2 no hydrogen 2.598 N/A VAL 416.A N TYR 432.A O no hydrogen 2.794 N/A TRP 417.A N SER 407.A O no hydrogen 3.061 N/A ASP 418.A N ARG 430.A O no hydrogen 3.029 N/A THR 419.A N VAL 405.A O no hydrogen 2.881 N/A VAL 420.A N GLU 428.A O no hydrogen 2.910 N/A PHE 421.A N LEU 403.A O no hydrogen 2.703 N/A HIS 422.A N ALA 426.A O no hydrogen 3.030 N/A HIS 422.A NE2 GLU 428.A OE1 no hydrogen 2.602 N/A GLY 425.A N HIS 422.A O no hydrogen 3.259 N/A ILE 427.A N LEU 647.A O no hydrogen 2.913 N/A GLU 428.A N VAL 420.A O no hydrogen 2.834 N/A ILE 429.A N PHE 645.A O no hydrogen 2.918 N/A ARG 430.A N ASP 418.A O no hydrogen 3.160 N/A TYR 432.A N VAL 416.A O no hydrogen 2.986 N/A THR 434.A N ASP 414.A O no hydrogen 3.036 N/A TYR 436.A N ASN 413.A O no hydrogen 2.952 N/A SER 439.A OG PHE 182.A O no hydrogen 2.674 N/A ALA 440.A N LEU 458.A O no hydrogen 3.090 N/A LEU 442.A N HIS 456.A O no hydrogen 2.888 N/A ASN 451.A N GLY 459.A O no hydrogen 3.321 N/A ASN 451.A ND2 PRO 628.A O no hydrogen 3.101 N/A GLN 452.A NE2 SER 454.A O no hydrogen 2.721 N/A VAL 453.A N THR 457.A O no hydrogen 3.158 N/A SER 454.A OG THR 457.A OG1 no hydrogen 2.855 N/A THR 457.A N SER 454.A O no hydrogen 3.450 N/A THR 457.A OG1 LEU 183.A O no hydrogen 2.944 N/A THR 457.A OG1 SER 454.A OG no hydrogen 2.855 N/A THR 457.A OG1 GLU 455.A O no hydrogen 3.066 N/A LEU 458.A N ALA 440.A O no hydrogen 2.914 N/A GLY 459.A N ASN 451.A O no hydrogen 2.846 N/A THR 460.A OG1 SER 438.A O no hydrogen 3.012 N/A VAL 461.A N TYR 449.A O no hydrogen 3.200 N/A HIS 462.A N HIS 626.A O no hydrogen 3.109 N/A HIS 462.A ND1 THR 460.A O no hydrogen 2.958 N/A HIS 462.A NE2 HIS 464.A NE2 no hydrogen 2.966 N/A HIS 462.A NE2 HIS 626.A ND1 no hydrogen 2.976 N/A THR 463.A N ILE 314.A O no hydrogen 2.790 N/A HIS 464.A N PHE 624.A O no hydrogen 3.033 N/A SER 465.A N LEU 312.A O no hydrogen 3.132 N/A SER 465.A OG GLU 570.A OE1 no hydrogen 3.421 N/A ALA 466.A N ALA 622.A O no hydrogen 2.832 N/A HIS 467.A N GLU 310.A O no hydrogen 2.745 N/A PHE 468.A N VAL 620.A O no hydrogen 2.914 N/A LYS 469.A N SER 307.A O no hydrogen 2.936 N/A LYS 469.A NZ GLU 305.A OE1 no hydrogen 2.882 N/A LYS 469.A NZ GLU 305.A OE2 no hydrogen 3.538 N/A LYS 469.A NZ PRO 584.A O no hydrogen 2.973 N/A VAL 470.A N ALA 618.A O no hydrogen 2.786 N/A ASP 471.A N GLU 305.A O no hydrogen 2.941 N/A ASP 473.A N LEU 302.A O no hydrogen 2.950 N/A ASN 479.A N LYS 614.A O no hydrogen 2.924 N/A TRP 480.A N ALA 532.A O no hydrogen 3.038 N/A TRP 482.A N TYR 530.A O no hydrogen 2.966 N/A ALA 483.A N LYS 509.A O no hydrogen 2.899 N/A GLU 484.A N TYR 528.A O no hydrogen 2.781 N/A ASP 485.A N THR 507.A O no hydrogen 2.860 N/A VAL 487.A N GLN 505.A O no hydrogen 2.843 N/A VAL 489.A N ARG 503.A O no hydrogen 3.010 N/A MET 491.A N LEU 501.A O no hydrogen 3.285 N/A VAL 493.A N HIS 499.A O no hydrogen 2.926 N/A SER 496.A N VAL 493.A O no hydrogen 3.293 N/A SER 496.A OG HIS 499.A ND1 no hydrogen 3.042 N/A HIS 499.A N SER 496.A O no hydrogen 2.845 N/A HIS 499.A ND1 SER 496.A OG no hydrogen 3.042 N/A LEU 501.A N MET 491.A O no hydrogen 3.015 N/A ARG 503.A N VAL 489.A O no hydrogen 3.190 N/A GLN 505.A N VAL 487.A O no hydrogen 2.907 N/A THR 507.A N ASP 485.A O no hydrogen 3.006 N/A LYS 509.A N ALA 483.A O no hydrogen 3.028 N/A LEU 511.A N VAL 481.A O no hydrogen 2.892 N/A GLU 512.A N GLN 516.A OE1 no hydrogen 3.151 N/A GLU 514.A N GLU 609.A O no hydrogen 3.229 N/A GLN 516.A N MET 513.A O no hydrogen 2.777 N/A ALA 517.A N GLU 514.A O no hydrogen 3.084 N/A ALA 518.A N GLU 515.A O no hydrogen 3.310 N/A PHE 519.A N LEU 574.A O no hydrogen 2.862 N/A VAL 521.A N ARG 571.A O no hydrogen 2.925 N/A ARG 527.A N ASP 485.A OD2 no hydrogen 3.189 N/A ARG 527.A NE ASP 485.A OD1 no hydrogen 2.864 N/A TYR 528.A N GLU 484.A O no hydrogen 2.955 N/A TYR 530.A N TRP 482.A O no hydrogen 3.049 N/A TYR 530.A OH GLU 484.A OE2 no hydrogen 2.672 N/A LEU 531.A N TYR 545.A O no hydrogen 2.854 N/A ALA 532.A N TRP 480.A O no hydrogen 2.898 N/A SER 533.A N ARG 543.A O no hydrogen 2.993 N/A HIS 535.A N SER 533.A OG no hydrogen 3.065 N/A SER 536.A OG ASN 537.A O no hydrogen 3.460 N/A ASN 537.A N HIS 541.A O no hydrogen 3.094 N/A ASN 537.A ND2 PHE 653.A O no hydrogen 3.382 N/A LYS 538.A N ASP 654.A OD1 no hydrogen 3.003 N/A TRP 539.A N ASN 537.A OD1 no hydrogen 3.199 N/A TRP 539.A NE1 ASP 654.A O no hydrogen 3.168 N/A GLY 540.A N ASN 537.A O no hydrogen 3.069 N/A HIS 541.A N ASN 537.A OD1 no hydrogen 3.069 N/A ARG 543.A N HIS 535.A O no hydrogen 3.400 N/A ARG 543.A NE PHE 652.A O no hydrogen 2.781 N/A ARG 543.A NH2 GLU 300.A OE1 no hydrogen 3.396 N/A ARG 543.A NH2 GLU 300.A OE2 no hydrogen 3.441 N/A ARG 543.A NH2 PHE 652.A O no hydrogen 3.239 N/A GLY 544.A N TYR 650.A O no hydrogen 3.095 N/A TYR 545.A N LEU 531.A O no hydrogen 2.928 N/A TYR 545.A OH GLY 425.A O no hydrogen 2.557 N/A ARG 546.A N ARG 648.A O no hydrogen 2.724 N/A ILE 547.A N LEU 529.A O no hydrogen 2.955 N/A GLN 548.A N PHE 646.A O no hydrogen 3.071 N/A LEU 550.A N GLY 644.A O no hydrogen 3.062 N/A SER 551.A OG GLY 623.A O no hydrogen 3.539 N/A PHE 552.A N GLY 623.A O no hydrogen 3.007 N/A LEU 557.A N GLU 570.A OE2 no hydrogen 2.832 N/A ASN 560.A ND2 ASN 560.A O no hydrogen 3.252 N/A SER 561.A N PRO 558.A O no hydrogen 3.145 N/A ALA 564.A N SER 561.A O no hydrogen 3.285 N/A GLY 566.A N MET 563.A O no hydrogen 3.158 N/A PHE 567.A N ALA 564.A O no hydrogen 3.406 N/A SER 568.A OG ASP 601.A OD2 no hydrogen 2.647 N/A GLU 570.A N PHE 567.A O no hydrogen 3.181 N/A ARG 571.A N SER 568.A O no hydrogen 3.263 N/A TYR 572.A N TRP 569.A O no hydrogen 3.197 N/A GLN 573.A N PHE 519.A O no hydrogen 2.823 N/A ALA 575.A N TRP 619.A O no hydrogen 2.999 N/A THR 577.A N VAL 617.A O no hydrogen 2.996 N/A THR 577.A OG1 GLU 514.A OE2 no hydrogen 3.324 N/A GLN 578.A N GLU 514.A OE2 no hydrogen 2.774 N/A GLN 578.A NE2 THR 610.A O no hydrogen 3.059 N/A ARG 579.A N ASP 615.A O no hydrogen 3.026 N/A ARG 579.A NH2 GLU 581.A OE2 no hydrogen 3.037 N/A LYS 580.A NZ GLU 583.A OE2 no hydrogen 3.516 N/A LYS 580.A NZ GLU 609.A OE1 no hydrogen 2.696 N/A LYS 580.A NZ GLU 609.A OE2 no hydrogen 2.745 N/A GLU 583.A N LYS 580.A O no hydrogen 3.289 N/A SER 586.A OG HIS 467.A ND1 no hydrogen 2.812 N/A SER 587.A OG GLU 310.A OE1 no hydrogen 2.413 N/A PHE 590.A N SER 588.A OG no hydrogen 3.280 N/A ASN 591.A N SER 588.A O no hydrogen 3.119 N/A ASN 591.A ND2 GLY 566.A O no hydrogen 3.045 N/A ASN 591.A ND2 VAL 600.A O no hydrogen 2.890 N/A GLN 592.A NE2 ARG 326.A O no hydrogen 3.428 N/A GLN 592.A NE2 GLN 592.A O no hydrogen 3.095 N/A ASN 593.A ND2 ARG 115.A O no hydrogen 3.142 N/A ASP 594.A N ASN 591.A O no hydrogen 2.990 N/A ALA 597.A N ASP 594.A OD1 no hydrogen 3.044 N/A THR 599.A N ASN 591.A OD1 no hydrogen 3.190 N/A THR 599.A OG1 PHE 590.A O no hydrogen 3.371 N/A VAL 600.A N ASN 591.A OD1 no hydrogen 3.333 N/A SER 603.A OG ASP 601.A OD1 no hydrogen 3.230 N/A SER 603.A OG ASP 601.A OD2 no hydrogen 3.197 N/A ASP 604.A N ASP 601.A O no hydrogen 2.840 N/A PHE 605.A N PHE 602.A O no hydrogen 2.877 N/A ILE 606.A N SER 603.A O no hydrogen 3.275 N/A ASN 607.A N GLU 514.A OE1 no hydrogen 3.246 N/A THR 610.A OG1 GLU 512.A O no hydrogen 3.276 N/A ILE 611.A N GLU 512.A O no hydrogen 3.073 N/A ALA 612.A N THR 610.A OG1 no hydrogen 3.318 N/A LYS 614.A N ASN 479.A O no hydrogen 3.093 N/A VAL 617.A N THR 577.A O no hydrogen 3.020 N/A ALA 618.A N VAL 470.A O no hydrogen 2.823 N/A TRP 619.A N ALA 575.A O no hydrogen 2.719 N/A VAL 620.A N PHE 468.A O no hydrogen 2.942 N/A THR 621.A N GLN 573.A O no hydrogen 2.839 N/A THR 621.A OG1 TRP 569.A O no hydrogen 2.816 N/A THR 621.A OG1 TYR 572.A O no hydrogen 3.074 N/A ALA 622.A N ALA 466.A O no hydrogen 3.145 N/A GLY 623.A N SER 551.A OG no hydrogen 3.076 N/A PHE 624.A N HIS 464.A O no hydrogen 2.884 N/A HIS 626.A N HIS 462.A O no hydrogen 2.852 N/A HIS 626.A NE2 ASP 632.A OD2 no hydrogen 2.517 N/A HIS 629.A ND1 ASP 632.A OD2 no hydrogen 3.129 N/A GLU 631.A N GLU 631.A OE1 no hydrogen 2.964 N/A ASP 632.A N HIS 629.A O no hydrogen 2.873 N/A ILE 633.A N ALA 630.A O no hydrogen 3.108 N/A THR 636.A N GLY 435.A O no hydrogen 3.063 N/A ASN 641.A N THR 638.A O no hydrogen 3.040 N/A VAL 643.A N PHE 431.A O no hydrogen 3.149 N/A GLY 644.A N LEU 550.A O no hydrogen 3.158 N/A PHE 645.A N ILE 429.A O no hydrogen 3.002 N/A PHE 646.A N GLN 548.A O no hydrogen 2.805 N/A LEU 647.A N ILE 427.A O no hydrogen 2.749 N/A ARG 648.A N ARG 546.A O no hydrogen 2.868 N/A ARG 648.A NE GLN 548.A OE1 no hydrogen 3.083 N/A ARG 648.A NH2 GLN 548.A OE1 no hydrogen 2.892 N/A TYR 650.A N GLY 544.A O no hydrogen 2.845 N/A TYR 650.A OH GLU 484.A OE1 no hydrogen 2.383 N/A SER 658.A N ASP 656.A OD2 no hydrogen 3.271 N/A SER 658.A OG ASP 656.A OD1 no hydrogen 2.469 N/A PHE 659.A N ASP 656.A O no hydrogen 3.153 N/A TYR 660.A N PRO 657.A O no hydrogen 3.209 N/A TYR 660.A OH GLU 655.A OE2 no hydrogen 2.718 N/A SER 661.A N SER 658.A O no hydrogen 3.016 N/A ASP 663.A N SER 661.A OG no hydrogen 2.864 N/A ILE 665.A N GLY 397.A O no hydrogen 2.970 N/A PHE 667.A N PHE 395.A O no hydrogen 3.252 N/A ARG 668.A N GLN 671.A OE1 no hydrogen 3.046 N/A ARG 668.A NE ASP 670.A OD2 no hydrogen 3.268 N/A GLY 669.A N HIS 393.A O no hydrogen 2.727 N/A GLN 671.A N ARG 668.A O no hydrogen 3.249 N/A GLY 674.A N ASP 672.A OD1 no hydrogen 3.014 N/A ALA 675.A N ASP 672.A O no hydrogen 3.266 N/A VAL 678.A N ALA 675.A O no hydrogen 3.269 N/A ASN 679.A N ALA 675.A O no hydrogen 3.188 N/A ASN 679.A ND2 ALA 673.A O no hydrogen 2.712 N/A LEU 681.A N ASN 679.A OD1 no hydrogen 3.152 N/A ALA 682.A N ASN 679.A O no hydrogen 3.191 N/A CYS 683.A SG ASN 679.A O no hydrogen 3.939 N/A CYS 683.A SG PRO 680.A O no hydrogen 3.262 N/A LEU 684.A N LEU 681.A O no hydrogen 3.441 N/A HIS 699.A NE2 THR 342.A OG1 no hydrogen 2.870 N/A GLY 701.A N HIS 699.A ND1 no hydrogen 2.787 N/A