Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2v5d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ASP 18.A O no hydrogen 3.150 N/A ASN 7.A N GLN 121.A OE1 no hydrogen 2.922 N/A ASN 7.A ND2 ASN 168.A OD1 no hydrogen 2.739 N/A ASN 7.A ND2 HIS 397.A O no hydrogen 3.559 N/A THR 9.A N ASP 401.A OD1 no hydrogen 2.726 N/A THR 9.A OG1 ASP 401.A OD1 no hydrogen 2.694 N/A GLU 11.A N ASP 135.A OD1 no hydrogen 2.714 N/A ASN 12.A N THR 134.A O no hydrogen 3.293 N/A ASN 12.A ND2 THR 134.A OG1 no hydrogen 3.242 N/A GLU 14.A N ASN 132.A O no hydrogen 3.442 N/A VAL 16.A N GLU 130.A O no hydrogen 3.258 N/A GLY 17.A N GLU 130.A O no hydrogen 3.128 N/A GLY 19.A N GLU 130.A OE2 no hydrogen 2.793 N/A PHE 20.A N ILE 128.A O no hydrogen 3.383 N/A ILE 22.A N SER 126.A O no hydrogen 3.146 N/A THR 23.A OG1 SER 25.A O no hydrogen 2.869 N/A SER 25.A OG GLU 52.A O no hydrogen 3.340 N/A SER 25.A OG ASN 54.A OD1 no hydrogen 2.697 N/A ILE 26.A N GLU 52.A O no hydrogen 2.884 N/A ASN 27.A N THR 62.A O no hydrogen 3.223 N/A VAL 29.A N LEU 64.A O no hydrogen 3.210 N/A ASP 35.A N GLU 68.A OE1 no hydrogen 2.987 N/A VAL 39.A N ASP 35.A O no hydrogen 3.385 N/A ASN 40.A N GLU 36.A O no hydrogen 3.344 N/A ARG 43.A N VAL 39.A O no hydrogen 2.752 N/A GLU 44.A N ASN 40.A O no hydrogen 3.495 N/A LEU 46.A N LEU 42.A O no hydrogen 3.231 N/A THR 47.A N ARG 43.A O no hydrogen 3.291 N/A THR 47.A OG1 ARG 43.A O no hydrogen 2.966 N/A ALA 48.A N GLU 44.A O no hydrogen 2.936 N/A ASN 49.A N PHE 45.A O no hydrogen 3.135 N/A ILE 51.A N LEU 46.A O no hydrogen 2.629 N/A GLU 52.A N SER 24.A O no hydrogen 3.345 N/A ASN 54.A N ILE 26.A O no hydrogen 2.627 N/A ASN 54.A ND2 SER 61.A OG no hydrogen 3.349 N/A SER 61.A OG SER 25.A O no hydrogen 3.172 N/A THR 62.A N THR 23.A OG1 no hydrogen 3.395 N/A THR 63.A N GLY 100.A O no hydrogen 3.426 N/A LEU 64.A N ASN 27.A O no hydrogen 3.378 N/A ILE 65.A N ILE 102.A O no hydrogen 2.929 N/A ILE 66.A N VAL 29.A O no hydrogen 3.211 N/A VAL 69.A N GLY 106.A O no hydrogen 3.249 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.940 N/A ASP 77.A N ILE 73.A O no hydrogen 3.477 N/A ALA 79.A N GLU 75.A O no hydrogen 3.302 N/A LEU 80.A N LEU 76.A O no hydrogen 3.119 N/A THR 83.A OG1 LEU 80.A O no hydrogen 3.241 N/A GLU 86.A N THR 84.A OG1 no hydrogen 3.216 N/A LEU 88.A N ALA 85.A O no hydrogen 3.243 N/A GLU 91.A N ASP 108.A OD2 no hydrogen 3.352 N/A TYR 93.A N ASP 135.A O no hydrogen 3.061 N/A ALA 94.A N GLU 105.A O no hydrogen 2.802 N/A VAL 96.A N ALA 103.A O no hydrogen 2.957 N/A SER 97.A N VAL 131.A O no hydrogen 3.421 N/A SER 97.A OG PRO 129.A O no hydrogen 2.875 N/A SER 97.A OG VAL 131.A O no hydrogen 3.463 N/A ASN 98.A N LYS 101.A O no hydrogen 2.972 N/A ASP 99.A N GLU 130.A OE1 no hydrogen 3.294 N/A ILE 102.A N THR 63.A O no hydrogen 3.140 N/A ALA 103.A N VAL 96.A O no hydrogen 2.891 N/A ILE 104.A N ILE 65.A O no hydrogen 2.996 N/A GLU 105.A N ALA 94.A O no hydrogen 3.042 N/A LYS 107.A N GLY 92.A O no hydrogen 3.227 N/A LYS 107.A NZ LEU 88.A O no hydrogen 3.255 N/A ASP 110.A N ASP 108.A OD1 no hydrogen 2.805 N/A THR 112.A N ASP 108.A O no hydrogen 3.228 N/A THR 112.A OG1 GLY 67.A O no hydrogen 3.207 N/A THR 112.A OG1 GLU 68.A OE1 no hydrogen 3.197 N/A THR 112.A OG1 ASP 108.A O no hydrogen 3.091 N/A GLY 115.A N GLY 111.A O no hydrogen 3.387 N/A GLY 115.A N THR 112.A O no hydrogen 3.153 N/A VAL 116.A N PHE 113.A O no hydrogen 3.122 N/A GLN 117.A NE2 PHE 113.A O no hydrogen 3.674 N/A THR 118.A OG1 TYR 93.A OH no hydrogen 2.865 N/A THR 118.A OG1 TYR 114.A O no hydrogen 3.253 N/A LYS 120.A N VAL 116.A O no hydrogen 3.262 N/A LYS 120.A NZ GLN 117.A OE1 no hydrogen 3.511 N/A GLN 121.A N GLN 117.A O no hydrogen 3.363 N/A GLN 121.A N THR 118.A O no hydrogen 3.263 N/A GLN 121.A NE2 ASN 7.A O no hydrogen 2.965 N/A LEU 122.A N THR 118.A O no hydrogen 3.062 N/A VAL 123.A N PHE 119.A O no hydrogen 3.238 N/A VAL 131.A N SER 97.A OG no hydrogen 3.241 N/A ASN 132.A N GLU 14.A O no hydrogen 3.345 N/A ASN 132.A ND2 ASN 132.A O no hydrogen 2.619 N/A ILE 133.A N LEU 95.A O no hydrogen 2.705 N/A THR 134.A N ASN 12.A O no hydrogen 3.438 N/A ASP 135.A N TYR 93.A O no hydrogen 2.960 N/A TYR 136.A N ASP 135.A OD1 no hydrogen 2.966 N/A THR 138.A N TRP 404.A O no hydrogen 2.909 N/A THR 138.A OG1 TRP 404.A O no hydrogen 2.702 N/A VAL 139.A N SER 403.A O no hydrogen 3.269 N/A SER 140.A N ASP 379.A OD1 no hydrogen 3.065 N/A ARG 142.A N ASN 171.A OD1 no hydrogen 2.748 N/A ARG 142.A NE LYS 169.A O no hydrogen 2.878 N/A ARG 142.A NH1 GLU 91.A OE1 no hydrogen 3.294 N/A ARG 142.A NH1 VAL 139.A O no hydrogen 3.450 N/A ARG 142.A NH2 TYR 114.A OH no hydrogen 3.326 N/A ARG 142.A NH2 LYS 169.A O no hydrogen 2.778 N/A GLY 143.A N PHE 381.A O no hydrogen 2.971 N/A ILE 144.A N THR 172.A O no hydrogen 3.290 N/A VAL 145.A N VAL 383.A O no hydrogen 2.816 N/A GLU 146.A N ILE 174.A O no hydrogen 3.224 N/A GLY 147.A N ASN 384.A OD1 no hydrogen 3.191 N/A THR 151.A OG1 GLU 387.A OE2 no hydrogen 3.082 N/A TRP 153.A NE1 MET 386.A O no hydrogen 3.080 N/A THR 154.A OG1 ASP 157.A OD2 no hydrogen 2.730 N/A HIS 155.A NE2 GLU 196.A OE1 no hydrogen 2.893 N/A ASP 157.A N THR 154.A OG1 no hydrogen 3.359 N/A ARG 158.A N THR 154.A O no hydrogen 3.048 N/A ARG 158.A NH2 GLU 146.A OE2 no hydrogen 3.507 N/A LEU 159.A N HIS 155.A O no hydrogen 3.051 N/A ASP 160.A N GLN 156.A O no hydrogen 3.289 N/A GLN 161.A N ASP 157.A O no hydrogen 3.104 N/A ILE 162.A N ARG 158.A O no hydrogen 3.043 N/A PHE 164.A N ASP 160.A O no hydrogen 3.254 N/A TYR 165.A N GLN 161.A O no hydrogen 3.027 N/A TYR 165.A OH GLN 161.A OE1 no hydrogen 3.426 N/A GLU 167.A N LYS 163.A O no hydrogen 3.400 N/A ASN 168.A N PHE 164.A O no hydrogen 3.478 N/A ASN 168.A ND2 PHE 164.A O no hydrogen 3.028 N/A LYS 169.A N GLY 166.A O no hydrogen 3.116 N/A LYS 169.A NZ THR 118.A OG1 no hydrogen 3.133 N/A LEU 170.A N TYR 165.A O no hydrogen 2.913 N/A ASN 171.A N ARG 142.A O no hydrogen 2.862 N/A ASN 171.A ND2 SER 140.A O no hydrogen 3.031 N/A THR 172.A OG1 ARG 142.A O no hydrogen 3.258 N/A TYR 173.A N ASP 207.A O no hydrogen 3.398 N/A ILE 174.A N ILE 144.A O no hydrogen 3.079 N/A TYR 175.A N VAL 209.A O no hydrogen 2.975 N/A TYR 175.A OH ASP 180.A OD1 no hydrogen 2.981 N/A ASP 180.A N LYS 178.A O no hydrogen 2.377 N/A TYR 182.A N ASP 180.A OD2 no hydrogen 2.950 N/A TRP 187.A N ARG 184.A O no hydrogen 3.260 N/A TRP 187.A N GLU 185.A O no hydrogen 2.678 N/A ARG 193.A NE GLU 190.A OE1 no hydrogen 3.386 N/A ARG 193.A NH2 ASP 180.A OD1 no hydrogen 3.251 N/A GLN 195.A N MET 191.A O no hydrogen 2.918 N/A GLN 195.A NE2 MET 242.A O no hydrogen 3.327 N/A GLU 196.A N GLN 192.A O no hydrogen 2.892 N/A ILE 198.A N GLN 195.A O no hydrogen 3.272 N/A ASN 199.A N GLN 195.A O no hydrogen 3.282 N/A ASN 199.A ND2 GLN 195.A OE1 no hydrogen 3.288 N/A ALA 200.A N GLU 196.A O no hydrogen 3.434 N/A SER 201.A N LEU 197.A O no hydrogen 3.134 N/A SER 201.A OG LEU 197.A O no hydrogen 2.666 N/A ALA 202.A N ILE 198.A O no hydrogen 3.016 N/A GLU 203.A N ASN 199.A O no hydrogen 3.199 N/A ASN 204.A N ALA 200.A O no hydrogen 3.132 N/A ASN 204.A ND2 ALA 200.A O no hydrogen 2.767 N/A LYS 205.A N ALA 202.A O no hydrogen 3.477 N/A LYS 205.A NZ ASP 35.A OD1 no hydrogen 3.265 N/A VAL 206.A N SER 201.A O no hydrogen 2.755 N/A ASP 207.A N ASN 171.A O no hydrogen 2.736 N/A VAL 209.A N TYR 173.A O no hydrogen 2.864 N/A PHE 210.A N SER 246.A O no hydrogen 2.963 N/A SER 213.A N HIS 183.A O no hydrogen 2.845 N/A SER 213.A OG HIS 183.A NE2 no hydrogen 3.070 N/A ASP 217.A N PRO 214.A O no hydrogen 3.374 N/A ARG 219.A NH2 GLU 227.A OE2 no hydrogen 3.067 N/A GLU 226.A N GLY 222.A O no hydrogen 3.185 N/A ASP 228.A N ALA 224.A O no hydrogen 2.915 N/A PHE 229.A N GLY 225.A O no hydrogen 3.098 N/A ASN 230.A N GLU 226.A O no hydrogen 2.759 N/A HIS 231.A N GLU 227.A O no hydrogen 2.850 N/A ALA 236.A N LEU 232.A O no hydrogen 3.383 N/A GLU 237.A N ILE 233.A O no hydrogen 2.688 N/A SER 238.A N THR 234.A O no hydrogen 3.194 N/A SER 238.A OG LYS 235.A O no hydrogen 2.674 N/A TYR 240.A N ALA 236.A O no hydrogen 2.909 N/A ASP 241.A N GLU 237.A O no hydrogen 3.115 N/A MET 242.A N SER 238.A O no hydrogen 3.236 N/A GLY 243.A N LEU 239.A O no hydrogen 2.906 N/A VAL 244.A N LEU 239.A O no hydrogen 2.811 N/A ARG 245.A NH1 TYR 240.A O no hydrogen 3.417 N/A ILE 249.A N ILE 284.A O no hydrogen 3.258 N/A TYR 250.A N ILE 212.A O no hydrogen 2.630 N/A TRP 251.A N VAL 286.A O no hydrogen 2.939 N/A LYS 257.A NZ GLU 289.A OE2 no hydrogen 3.346 N/A SER 258.A N ASP 256.A O no hydrogen 2.848 N/A LYS 261.A N SER 258.A O no hydrogen 3.264 N/A HIS 262.A N SER 258.A O no hydrogen 3.205 N/A ALA 263.A N ALA 259.A O no hydrogen 3.020 N/A GLN 264.A N ALA 260.A O no hydrogen 3.398 N/A LEU 266.A N HIS 262.A O no hydrogen 3.197 N/A ASN 267.A N ALA 263.A O no hydrogen 2.741 N/A ASN 267.A ND2 THR 311.A O no hydrogen 2.931 N/A ARG 268.A N GLN 264.A O no hydrogen 3.331 N/A PHE 269.A N VAL 265.A O no hydrogen 3.293 N/A ASN 270.A N LEU 266.A O no hydrogen 2.865 N/A ASN 270.A ND2 SER 315.A OG no hydrogen 2.914 N/A GLU 271.A N ASN 267.A O no hydrogen 3.284 N/A GLU 272.A N ARG 268.A O no hydrogen 2.947 N/A LYS 275.A N ASN 270.A O no hydrogen 3.435 N/A LYS 277.A N PHE 273.A O no hydrogen 2.947 N/A LYS 277.A NZ GLU 237.A OE2 no hydrogen 3.159 N/A LYS 281.A N ARG 245.A O no hydrogen 2.870 N/A ILE 284.A N PHE 247.A O no hydrogen 3.504 N/A THR 285.A N GLU 317.A O no hydrogen 3.130 N/A THR 285.A OG1 ILE 249.A O no hydrogen 2.806 N/A THR 288.A N TYR 304.A OH no hydrogen 3.190 N/A THR 288.A OG1 TYR 304.A OH no hydrogen 2.870 N/A THR 292.A N GLY 322.A O no hydrogen 2.734 N/A THR 292.A OG1 GLY 322.A O no hydrogen 2.732 N/A THR 292.A OG1 ASP 334.A OD1 no hydrogen 2.916 N/A THR 292.A OG1 ASP 334.A OD2 no hydrogen 3.265 N/A GLY 293.A N PRO 323.A O no hydrogen 3.210 N/A ALA 294.A N ASP 291.A OD2 no hydrogen 3.324 N/A MET 295.A N ASP 291.A O no hydrogen 2.683 N/A VAL 296.A N THR 292.A O no hydrogen 2.792 N/A SER 297.A N GLN 300.A O no hydrogen 3.434 N/A SER 297.A OG ASN 298.A OD1 no hydrogen 3.479 N/A ASN 298.A ND2 ASN 298.A O no hydrogen 2.573 N/A ARG 302.A N MET 295.A O no hydrogen 3.043 N/A ARG 302.A NH1 GLY 293.A O no hydrogen 3.173 N/A TYR 304.A OH HIS 262.A ND1 no hydrogen 2.944 N/A THR 305.A OG1 GLU 289.A OE1 no hydrogen 2.626 N/A THR 305.A OG1 MET 295.A O no hydrogen 3.392 N/A ARG 306.A N ARG 302.A O no hydrogen 3.198 N/A PHE 308.A N TYR 304.A O no hydrogen 3.087 N/A ALA 309.A N THR 305.A O no hydrogen 2.937 N/A GLU 310.A N ARG 306.A O no hydrogen 3.362 N/A THR 311.A N PHE 308.A O no hydrogen 3.328 N/A THR 311.A OG1 ILE 307.A O no hydrogen 2.562 N/A VAL 312.A N PHE 308.A O no hydrogen 3.065 N/A ASP 313.A N ASN 267.A OD1 no hydrogen 2.670 N/A SER 315.A N ASP 313.A OD2 no hydrogen 2.856 N/A SER 315.A OG ASP 313.A OD2 no hydrogen 2.660 N/A ILE 316.A N ASP 313.A O no hydrogen 2.944 N/A GLU 317.A N LEU 283.A O no hydrogen 2.666 N/A MET 319.A N THR 285.A O no hydrogen 3.036 N/A TRP 320.A N ALA 347.A O no hydrogen 2.937 N/A THR 321.A N TYR 290.A O no hydrogen 3.190 N/A THR 321.A OG1 GLY 324.A O no hydrogen 2.842 N/A ILE 330.A N GLY 369.A O no hydrogen 3.269 N/A LEU 332.A N ASP 371.A OD2 no hydrogen 3.262 N/A ASP 334.A N PRO 331.A O no hydrogen 3.127 N/A ALA 335.A N PRO 331.A O no hydrogen 3.297 N/A GLN 336.A N LEU 332.A O no hydrogen 2.860 N/A LEU 337.A N SER 333.A O no hydrogen 3.190 N/A ILE 338.A N ASP 334.A O no hydrogen 3.186 N/A SER 339.A N ALA 335.A O no hydrogen 3.096 N/A SER 339.A OG ARG 344.A O no hydrogen 2.584 N/A GLY 340.A N GLN 336.A O no hydrogen 3.044 N/A ILE 341.A N ILE 338.A O no hydrogen 3.088 N/A TYR 342.A N ILE 338.A O no hydrogen 3.282 N/A ASN 343.A N SER 339.A O no hydrogen 2.673 N/A ARG 344.A NE TYR 342.A O no hydrogen 3.195 N/A ARG 344.A NH1 ILE 316.A O no hydrogen 3.434 N/A ARG 344.A NH2 VAL 312.A O no hydrogen 3.514 N/A ARG 344.A NH2 TYR 342.A O no hydrogen 3.538 N/A MET 346.A N TYR 377.A O no hydrogen 3.214 N/A ALA 347.A N VAL 318.A O no hydrogen 2.779 N/A VAL 348.A N PHE 380.A O no hydrogen 3.010 N/A TRP 349.A N TRP 320.A O no hydrogen 3.161 N/A TRP 350.A N THR 382.A O no hydrogen 2.912 N/A ASN 351.A ND2 VAL 325.A O no hydrogen 2.580 N/A TYR 352.A N TRP 350.A O no hydrogen 2.965 N/A TYR 352.A OH THR 438.A O no hydrogen 2.738 N/A VAL 354.A N ASN 384.A O no hydrogen 2.897 N/A LYS 361.A NZ ARG 439.A O no hydrogen 2.642 N/A LYS 361.A NZ ASP 452.A OD2 no hydrogen 2.834 N/A LYS 361.A NZ GLU 561.A OE1 no hydrogen 2.564 N/A LEU 364.A N SER 437.A O no hydrogen 2.999 N/A ASP 371.A N ILE 330.A O no hydrogen 3.315 N/A LYS 372.A NZ ASP 407.A O no hydrogen 3.324 N/A GLY 373.A N ASP 371.A OD1 no hydrogen 3.230 N/A GLN 376.A N GLY 373.A O no hydrogen 3.384 N/A VAL 378.A N LEU 374.A O no hydrogen 3.060 N/A PHE 381.A N ALA 141.A O no hydrogen 2.714 N/A THR 382.A N VAL 348.A O no hydrogen 3.240 N/A THR 382.A OG1 VAL 348.A O no hydrogen 2.626 N/A VAL 383.A N GLY 143.A O no hydrogen 3.411 N/A ASN 384.A N TRP 350.A O no hydrogen 2.755 N/A ASN 384.A ND2 GLY 147.A O no hydrogen 2.992 N/A ASN 384.A ND2 ASN 351.A OD1 no hydrogen 3.364 N/A MET 386.A N SER 392.A OG no hydrogen 3.278 N/A GLU 390.A N GLU 505.A OE2 no hydrogen 3.427 N/A LEU 391.A N GLU 505.A OE1 no hydrogen 3.308 N/A SER 392.A OG HIS 388.A O no hydrogen 2.678 N/A LYS 393.A NZ ASP 160.A OD2 no hydrogen 2.736 N/A LYS 393.A NZ GLU 390.A OE1 no hydrogen 3.418 N/A ILE 394.A N LEU 391.A O no hydrogen 3.453 N/A SER 395.A OG SER 392.A O no hydrogen 3.148 N/A ILE 396.A N SER 392.A O no hydrogen 3.241 N/A HIS 397.A N LYS 393.A O no hydrogen 2.830 N/A THR 398.A OG1 SER 395.A O no hydrogen 2.488 N/A ALA 399.A N SER 395.A O no hydrogen 2.923 N/A ALA 400.A N ILE 396.A O no hydrogen 3.046 N/A TYR 402.A N THR 398.A O no hydrogen 3.176 N/A TYR 402.A OH ASP 371.A O no hydrogen 2.619 N/A SER 403.A N ALA 399.A O no hydrogen 3.033 N/A SER 403.A OG ALA 399.A O no hydrogen 2.775 N/A SER 403.A OG ALA 400.A O no hydrogen 3.317 N/A TRP 404.A N ALA 400.A O no hydrogen 3.160 N/A TRP 404.A NE1 ASP 135.A OD1 no hydrogen 3.312 N/A ASN 405.A N ASP 401.A O no hydrogen 3.137 N/A ASN 405.A ND2 THR 9.A O no hydrogen 3.121 N/A TYR 409.A N MET 406.A O no hydrogen 3.203 N/A TYR 409.A OH MET 367.A O no hydrogen 3.145 N/A ASP 412.A N ASP 410.A OD1 no hydrogen 3.296 N/A LYS 413.A NZ ASP 410.A OD2 no hydrogen 3.359 N/A ALA 414.A N ASP 410.A O no hydrogen 2.952 N/A TRP 415.A N TYR 411.A O no hydrogen 3.048 N/A TRP 415.A NE1 LEU 364.A O no hydrogen 3.027 N/A ASN 416.A N ASP 412.A O no hydrogen 3.251 N/A ARG 417.A N LYS 413.A O no hydrogen 2.974 N/A ARG 417.A NE LEU 6.A O no hydrogen 3.189 N/A ALA 418.A N ALA 414.A O no hydrogen 3.162 N/A ALA 418.A N TRP 415.A O no hydrogen 3.163 N/A ILE 419.A N TRP 415.A O no hydrogen 3.435 N/A ASP 420.A N ASN 416.A O no hydrogen 3.138 N/A MET 421.A N ARG 417.A O no hydrogen 3.345 N/A LEU 422.A N ALA 418.A O no hydrogen 3.343 N/A GLY 424.A N ASP 420.A O no hydrogen 3.232 N/A LYS 431.A N ALA 427.A O no hydrogen 2.744 N/A LYS 431.A NZ ASN 416.A OD1 no hydrogen 3.332 N/A LYS 431.A NZ ASP 420.A OD1 no hydrogen 3.360 N/A LYS 431.A NZ ASP 420.A OD2 no hydrogen 3.213 N/A VAL 432.A N GLU 428.A O no hydrogen 3.350 N/A PHE 433.A N ASP 429.A O no hydrogen 3.475 N/A ALA 434.A N MET 430.A O no hydrogen 2.829 N/A ASN 435.A N LYS 431.A O no hydrogen 2.743 N/A HIS 436.A N PHE 433.A O no hydrogen 3.346 N/A HIS 436.A ND1 VAL 432.A O no hydrogen 3.169 N/A SER 437.A N ALA 434.A O no hydrogen 3.009 N/A SER 437.A OG LEU 362.A O no hydrogen 2.586 N/A THR 438.A N ASP 452.A OD1 no hydrogen 2.762 N/A THR 438.A OG1 ARG 450.A O no hydrogen 2.865 N/A THR 438.A OG1 ASP 452.A OD1 no hydrogen 3.046 N/A ARG 439.A N ASP 452.A OD1 no hydrogen 3.288 N/A ARG 439.A NH1 GLY 449.A O no hydrogen 3.320 N/A MET 440.A N SER 448.A O no hydrogen 3.217 N/A ASN 442.A N ALA 446.A O no hydrogen 3.194 N/A LYS 443.A N ASP 441.A OD2 no hydrogen 2.815 N/A THR 444.A N ASN 442.A OD1 no hydrogen 3.254 N/A THR 444.A OG1 ASN 442.A O no hydrogen 3.144 N/A ALA 446.A N ASN 442.A OD1 no hydrogen 2.974 N/A LYS 447.A N VAL 326.A O no hydrogen 3.004 N/A LYS 447.A NZ THR 444.A O no hydrogen 3.226 N/A SER 448.A N MET 440.A O no hydrogen 2.921 N/A SER 448.A OG THR 327.A O no hydrogen 2.994 N/A ARG 450.A NE GLU 451.A O no hydrogen 2.940 N/A ARG 450.A NH1 ASN 435.A OD1 no hydrogen 3.492 N/A ARG 450.A NH2 ASN 435.A OD1 no hydrogen 3.210 N/A ARG 450.A NH2 THR 438.A OG1 no hydrogen 3.311 N/A ARG 450.A NH2 GLU 451.A O no hydrogen 3.376 N/A ALA 453.A N ASN 435.A O no hydrogen 3.081 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.822 N/A ARG 457.A N ALA 453.A O no hydrogen 3.230 N/A ARG 457.A N PRO 454.A O no hydrogen 2.754 N/A ARG 457.A NE LYS 562.A O no hydrogen 3.353 N/A ARG 457.A NH1 ASP 461.A OD1 no hydrogen 3.274 N/A ARG 457.A NH2 LYS 562.A O no hydrogen 3.266 N/A ARG 457.A NH2 GLU 570.A OE1 no hydrogen 3.166 N/A ALA 458.A N PRO 454.A O no hydrogen 3.026 N/A LYS 459.A N GLU 455.A O no hydrogen 3.314 N/A LYS 459.A NZ GLU 479.A OE1 no hydrogen 3.459 N/A LYS 459.A NZ GLU 479.A OE2 no hydrogen 3.199 N/A MET 460.A N LEU 456.A O no hydrogen 3.016 N/A ASP 461.A N ARG 457.A O no hydrogen 2.901 N/A GLU 462.A N ALA 458.A O no hydrogen 2.859 N/A LEU 463.A N LYS 459.A O no hydrogen 2.968 N/A LEU 463.A N MET 460.A O no hydrogen 3.138 N/A TRP 464.A N MET 460.A O no hydrogen 3.395 N/A TRP 464.A NE1 GLU 570.A OE1 no hydrogen 3.085 N/A ASN 465.A N ASP 461.A O no hydrogen 3.078 N/A LYS 466.A N GLU 462.A O no hydrogen 3.246 N/A LYS 466.A NZ GLU 462.A OE1 no hydrogen 2.928 N/A LEU 467.A N LEU 463.A O no hydrogen 2.977 N/A SER 468.A N TRP 464.A O no hydrogen 3.211 N/A SER 468.A OG TRP 464.A O no hydrogen 2.654 N/A SER 468.A OG ASN 465.A O no hydrogen 3.059 N/A SER 469.A OG ASN 465.A O no hydrogen 3.033 N/A SER 474.A OG ASP 472.A OD1 no hydrogen 3.327 N/A SER 474.A OG ASP 472.A OD2 no hydrogen 3.140 N/A ILE 477.A N ALA 473.A O no hydrogen 2.675 N/A GLU 478.A N SER 474.A O no hydrogen 2.970 N/A GLU 479.A N ALA 475.A O no hydrogen 3.407 N/A LEU 480.A N LEU 476.A O no hydrogen 3.060 N/A TYR 481.A N ILE 477.A O no hydrogen 3.055 N/A TYR 481.A OH ASP 525.A OD1 no hydrogen 2.585 N/A GLY 482.A N GLU 478.A O no hydrogen 3.290 N/A GLU 483.A N GLU 479.A O no hydrogen 2.872 N/A PHE 484.A N LEU 480.A O no hydrogen 2.891 N/A ALA 485.A N TYR 481.A O no hydrogen 3.146 N/A ARG 486.A N GLY 482.A O no hydrogen 2.897 N/A ARG 486.A NH1 ASP 429.A OD2 no hydrogen 3.378 N/A ARG 486.A NH2 ASP 429.A OD2 no hydrogen 3.474 N/A MET 487.A N GLU 483.A O no hydrogen 3.313 N/A GLU 488.A N PHE 484.A O no hydrogen 3.409 N/A GLU 489.A N ALA 485.A O no hydrogen 2.930 N/A ALA 490.A N ARG 486.A O no hydrogen 3.050 N/A CYS 491.A N MET 487.A O no hydrogen 3.094 N/A CYS 491.A SG MET 487.A O no hydrogen 3.316 N/A CYS 491.A SG LEU 510.A O no hydrogen 4.049 N/A ASN 492.A N GLU 488.A O no hydrogen 3.336 N/A ASN 493.A N GLU 489.A O no hydrogen 3.273 N/A LEU 494.A N ALA 490.A O no hydrogen 3.102 N/A LYS 495.A N CYS 491.A O no hydrogen 3.220 N/A LYS 495.A NZ ASP 511.A OD1 no hydrogen 2.988 N/A LYS 495.A NZ ASP 511.A OD2 no hydrogen 3.279 N/A ALA 496.A N ASN 492.A O no hydrogen 3.023 N/A ASN 497.A N LEU 494.A O no hydrogen 3.289 N/A LEU 498.A N LEU 494.A O no hydrogen 2.978 N/A ALA 502.A N PRO 499.A O no hydrogen 2.735 N/A LEU 503.A N PRO 499.A O no hydrogen 3.005 N/A GLU 504.A N GLU 500.A O no hydrogen 3.035 N/A GLU 505.A N ALA 502.A O no hydrogen 3.203 N/A CYS 506.A N LEU 503.A O no hydrogen 3.356 N/A CYS 506.A SG ALA 502.A O no hydrogen 3.359 N/A GLN 509.A NE2 GLY 360.A O no hydrogen 2.804 N/A LEU 510.A N CYS 506.A O no hydrogen 3.027 N/A ASP 511.A N SER 507.A O no hydrogen 3.336 N/A GLU 512.A N ARG 508.A O no hydrogen 3.043 N/A LEU 513.A N GLN 509.A O no hydrogen 3.150 N/A ILE 514.A N LEU 510.A O no hydrogen 3.369 N/A THR 515.A N ASP 511.A O no hydrogen 3.246 N/A THR 515.A OG1 ASP 511.A O no hydrogen 2.721 N/A LEU 516.A N GLU 512.A O no hydrogen 3.007 N/A ALA 517.A N LEU 513.A O no hydrogen 2.795 N/A GLN 518.A N ILE 514.A O no hydrogen 2.824 N/A GLY 519.A N THR 515.A O no hydrogen 3.130 N/A ASP 520.A N LEU 516.A O no hydrogen 2.730 N/A LYS 521.A N ALA 517.A O no hydrogen 2.964 N/A LYS 521.A NZ ASP 525.A OD1 no hydrogen 3.532 N/A LYS 521.A NZ ASP 525.A OD2 no hydrogen 3.040 N/A ALA 522.A N GLN 518.A O no hydrogen 3.011 N/A SER 523.A N GLY 519.A O no hydrogen 2.846 N/A SER 523.A OG GLY 519.A O no hydrogen 2.654 N/A LEU 524.A N ASP 520.A O no hydrogen 3.306 N/A ASP 525.A N LYS 521.A O no hydrogen 3.265 N/A ILE 527.A N SER 523.A O no hydrogen 3.382 N/A VAL 528.A N LEU 524.A O no hydrogen 2.829 N/A ALA 529.A N ASP 525.A O no hydrogen 2.727 N/A GLN 530.A N MET 526.A O no hydrogen 2.754 N/A GLN 530.A NE2 ASP 575.A O no hydrogen 3.440 N/A LEU 531.A N ILE 527.A O no hydrogen 3.190 N/A ASN 532.A N VAL 528.A O no hydrogen 2.929 N/A ASP 534.A N ALA 529.A O no hydrogen 2.980 N/A ALA 537.A N ASP 534.A OD1 no hydrogen 3.407 N/A TYR 538.A N ASP 534.A O no hydrogen 2.963 N/A GLU 539.A N THR 535.A O no hydrogen 2.991 N/A SER 540.A N GLU 536.A O no hydrogen 3.042 N/A ALA 541.A N ALA 537.A O no hydrogen 2.724 N/A LYS 542.A N TYR 538.A O no hydrogen 2.722 N/A GLU 543.A N GLU 539.A O no hydrogen 2.866 N/A ALA 545.A N ALA 541.A O no hydrogen 2.803 N/A GLN 546.A N LYS 542.A O no hydrogen 3.171 N/A GLN 546.A NE2 ASN 550.A OD1 no hydrogen 2.971 N/A ASN 547.A ND2 GLU 543.A OE2 no hydrogen 3.549 N/A LYS 548.A N ILE 544.A O no hydrogen 3.062 N/A LYS 548.A NZ GLN 518.A OE1 no hydrogen 2.672 N/A LEU 549.A N ALA 545.A O no hydrogen 3.461 N/A ASN 550.A N GLN 546.A O no hydrogen 3.062 N/A THR 551.A N ASN 547.A O no hydrogen 2.767 N/A THR 551.A OG1 ASN 547.A O no hydrogen 3.096 N/A THR 551.A OG1 LYS 548.A O no hydrogen 2.830 N/A ALA 552.A N LYS 548.A O no hydrogen 2.861 N/A LEU 553.A N LEU 549.A O no hydrogen 2.771 N/A SER 554.A N ASN 550.A O no hydrogen 3.087 N/A SER 554.A OG ASN 550.A O no hydrogen 2.875 N/A SER 555.A N THR 551.A O no hydrogen 3.026 N/A SER 555.A OG GLU 512.A OE2 no hydrogen 3.215 N/A VAL 558.A N GLY 360.A O no hydrogen 3.481 N/A GLU 561.A N GLU 561.A OE1 no hydrogen 2.709 N/A ALA 564.A N SER 560.A OG no hydrogen 2.723 N/A GLN 565.A N SER 560.A O no hydrogen 2.867 N/A SER 566.A N GLU 561.A O no hydrogen 2.922 N/A SER 566.A OG GLU 570.A OE2 no hydrogen 3.388 N/A PHE 567.A N VAL 563.A O no hydrogen 3.144 N/A GLU 570.A N SER 566.A O no hydrogen 2.972 N/A ALA 571.A N PHE 567.A O no hydrogen 3.364 N/A LEU 572.A N GLN 569.A O no hydrogen 3.224 N/A SER 573.A N GLN 569.A O no hydrogen 3.145 N/A SER 573.A OG GLN 569.A OE1 no hydrogen 3.499 N/A THR 577.A OG1 THR 577.A O no hydrogen 2.293 N/A THR 587.A N THR 628.A O no hydrogen 2.995 N/A SER 589.A N HIS 626.A O no hydrogen 3.173 N/A SER 589.A OG SER 590.A OG no hydrogen 3.324 N/A SER 590.A OG SER 589.A OG no hydrogen 3.324 N/A GLU 592.A N HIS 613.A O no hydrogen 2.997 N/A GLY 595.A N GLU 592.A OE2 no hydrogen 2.664 N/A ALA 598.A N GLU 592.A O no hydrogen 3.281 N/A ALA 600.A N GLU 591.A OE2 no hydrogen 2.948 N/A PHE 602.A N PRO 599.A O no hydrogen 3.355 N/A ALA 603.A N ALA 600.A O no hydrogen 3.132 N/A GLY 606.A N GLU 717.A OE1 no hydrogen 2.843 N/A ASN 609.A N ASP 607.A OD1 no hydrogen 3.022 N/A THR 610.A OG1 ASP 605.A OD1 no hydrogen 3.348 N/A THR 610.A OG1 ASP 607.A O no hydrogen 2.919 N/A TRP 612.A N ALA 715.A O no hydrogen 2.961 N/A TRP 612.A NE1 SER 590.A O no hydrogen 3.098 N/A HIS 613.A N ALA 598.A O no hydrogen 3.134 N/A HIS 613.A ND1 SER 614.A O no hydrogen 3.014 N/A SER 614.A N ALA 713.A O no hydrogen 3.172 N/A LYS 615.A NZ SER 617.A O no hydrogen 2.605 N/A LYS 615.A NZ PRO 619.A O no hydrogen 2.955 N/A TRP 616.A N GLU 592.A OE1 no hydrogen 2.912 N/A SER 617.A N GLU 592.A OE1 no hydrogen 2.994 N/A SER 617.A OG GLU 592.A OE1 no hydrogen 3.154 N/A SER 617.A OG GLU 592.A OE2 no hydrogen 2.660 N/A HIS 621.A N LYS 615.A O no hydrogen 2.876 N/A LEU 627.A N LEU 696.A O no hydrogen 2.980 N/A THR 628.A N THR 587.A O no hydrogen 3.104 N/A LEU 629.A N VAL 694.A O no hydrogen 2.760 N/A GLU 630.A N VAL 584.A O no hydrogen 3.209 N/A LEU 631.A N LYS 692.A O no hydrogen 2.996 N/A ASN 633.A ND2 VAL 634.A O no hydrogen 2.616 N/A TYR 635.A N ALA 691.A O no hydrogen 2.897 N/A TYR 635.A OH ASP 632.A OD1 no hydrogen 2.300 N/A ILE 637.A N VAL 689.A O no hydrogen 2.930 N/A ASN 638.A N HIS 721.A O no hydrogen 2.976 N/A ASN 638.A ND2 SER 688.A OG no hydrogen 3.084 N/A LYS 639.A NZ GLU 685.A OE2 no hydrogen 2.902 N/A VAL 640.A N ILE 684.A O no hydrogen 2.782 N/A LYS 641.A N ASN 719.A O no hydrogen 2.833 N/A LYS 641.A NZ ASN 719.A OD1 no hydrogen 3.570 N/A TYR 642.A N LYS 682.A O no hydrogen 2.699 N/A TYR 642.A OH THR 714.A O no hydrogen 3.013 N/A ALA 643.A N GLU 717.A O no hydrogen 2.831 N/A GLN 646.A NE2 ALA 679.A O no hydrogen 3.375 N/A SER 648.A OG ASN 650.A OD1 no hydrogen 2.637 N/A ASN 650.A N SER 648.A OG no hydrogen 3.065 N/A GLY 651.A N VAL 702.A O no hydrogen 2.727 N/A ARG 652.A N LYS 649.A O no hydrogen 3.151 N/A ILE 653.A N TYR 642.A OH no hydrogen 3.130 N/A THR 654.A N ASP 700.A O no hydrogen 2.853 N/A TYR 656.A N GLY 673.A O no hydrogen 2.903 N/A VAL 658.A N LYS 671.A O no hydrogen 3.030 N/A SER 659.A N ARG 695.A O no hydrogen 3.050 N/A SER 661.A N TYR 693.A O no hydrogen 3.064 N/A SER 661.A OG ASN 666.A O no hydrogen 2.733 N/A ASP 663.A N SER 661.A OG no hydrogen 3.327 N/A GLY 664.A N SER 661.A OG no hydrogen 3.252 N/A GLU 665.A N ASP 663.A OD2 no hydrogen 2.517 N/A ASN 666.A N ASP 663.A OD2 no hydrogen 2.689 N/A ASN 666.A ND2 ASP 663.A OD1 no hydrogen 3.556 N/A THR 668.A N VAL 660.A O no hydrogen 3.023 N/A THR 668.A OG1 GLU 669.A O no hydrogen 3.567 N/A GLU 669.A N THR 668.A OG1 no hydrogen 2.587 N/A VAL 670.A N VAL 658.A O no hydrogen 3.068 N/A THR 672.A OG1 GLU 669.A OE2 no hydrogen 2.825 N/A GLY 673.A N TYR 656.A O no hydrogen 3.466 N/A LEU 675.A N THR 654.A O no hydrogen 3.180 N/A ALA 680.A N ASN 678.A OD1 no hydrogen 3.003 N/A LYS 682.A N TYR 642.A O no hydrogen 2.666 N/A LYS 682.A NZ GLU 676.A O no hydrogen 3.358 N/A LYS 682.A NZ ASN 678.A OD1 no hydrogen 2.987 N/A LYS 682.A NZ ALA 680.A O no hydrogen 2.934 N/A ILE 684.A N VAL 640.A O no hydrogen 2.985 N/A PHE 686.A N ASN 638.A O no hydrogen 3.350 N/A VAL 689.A N ILE 637.A O no hydrogen 3.162 N/A ALA 691.A N TYR 635.A O no hydrogen 3.010 N/A LYS 692.A N SER 661.A O no hydrogen 2.870 N/A TYR 693.A N SER 661.A O no hydrogen 2.877 N/A VAL 694.A N LEU 629.A O no hydrogen 2.846 N/A ARG 695.A N SER 659.A O no hydrogen 2.860 N/A LEU 696.A N LEU 627.A O no hydrogen 2.671 N/A ASP 697.A N LYS 657.A O no hydrogen 3.043 N/A VAL 698.A N HIS 625.A O no hydrogen 2.877 N/A THR 699.A N GLY 655.A O no hydrogen 2.742 N/A ASP 700.A N GLY 655.A O no hydrogen 3.084 N/A SER 701.A OG PHE 712.A O no hydrogen 2.704 N/A VAL 702.A N ARG 652.A O no hydrogen 3.261 N/A SER 703.A OG GLY 708.A O no hydrogen 2.688 N/A LYS 711.A N GLY 708.A O no hydrogen 3.503 N/A LYS 711.A NZ ASN 707.A O no hydrogen 3.293 N/A ALA 713.A N SER 614.A OG no hydrogen 3.350 N/A THR 714.A N GLY 651.A O no hydrogen 2.680 N/A THR 714.A OG1 ASN 650.A O no hydrogen 2.615 N/A ALA 715.A N TRP 612.A O no hydrogen 3.138 N/A GLU 717.A N ALA 643.A O no hydrogen 3.055 N/A VAL 718.A N ALA 603.A O no hydrogen 2.780 N/A ASN 719.A N LYS 641.A O no hydrogen 3.249 N/A HIS 721.A N LYS 639.A O no hydrogen 2.592 N/A HIS 721.A ND1 THR 577.A O no hydrogen 2.857 N/A