Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vbc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N HIS 23.A O no hydrogen 3.082 N/A TYR 5.A N GLY 21.A O no hydrogen 3.015 N/A TYR 5.A OH SER 1.A O no hydrogen 2.939 N/A ARG 6.A NH1 GLN 17.A OE1 no hydrogen 3.539 N/A ARG 6.A NH1 GLU 83.A O no hydrogen 2.715 N/A ARG 6.A NH1 LYS 86.A O no hydrogen 3.290 N/A ARG 6.A NH2 LYS 86.A O no hydrogen 3.056 N/A ILE 7.A N GLY 19.A O no hydrogen 2.952 N/A GLN 9.A N THR 16.A O no hydrogen 2.884 N/A THR 16.A N GLN 9.A O no hydrogen 3.120 N/A GLN 17.A NE2 GLY 19.A O no hydrogen 3.533 N/A GLN 17.A NE2 ILE 82.A O no hydrogen 3.202 N/A GLN 17.A NE2 GLY 115.A O no hydrogen 2.638 N/A VAL 18.A N ILE 7.A O no hydrogen 2.723 N/A VAL 20.A N SER 117.A O no hydrogen 3.089 N/A GLY 21.A N TYR 5.A O no hydrogen 3.006 N/A ILE 22.A N HIS 29.A O no hydrogen 2.560 N/A MET 24.A N VAL 27.A O no hydrogen 2.739 N/A VAL 27.A N MET 24.A O no hydrogen 2.992 N/A PHE 28.A N TYR 61.A O no hydrogen 3.033 N/A HIS 29.A N ILE 22.A O no hydrogen 2.516 N/A THR 30.A N ILE 59.A O no hydrogen 3.191 N/A THR 30.A OG1 VAL 20.A O no hydrogen 2.612 N/A MET 31.A N THR 30.A OG1 no hydrogen 2.848 N/A HIS 33.A N ASP 57.A OD1 no hydrogen 2.808 N/A HIS 33.A ND1 ASP 57.A OD2 no hydrogen 2.822 N/A THR 35.A OG1 TYR 61.A OH no hydrogen 2.905 N/A ARG 36.A N TRP 32.A O no hydrogen 2.816 N/A ARG 36.A NE HIS 33.A O no hydrogen 3.475 N/A SER 38.A N THR 35.A O no hydrogen 3.362 N/A SER 38.A OG THR 35.A O no hydrogen 3.173 N/A LEU 47.A N ILE 40.A O no hydrogen 2.761 N/A SER 50.A N SER 60.A O no hydrogen 3.205 N/A SER 50.A OG SER 60.A O no hydrogen 3.459 N/A ASP 53.A N MET 58.A O no hydrogen 2.997 N/A ASN 56.A ND2 ASP 53.A OD2 no hydrogen 2.762 N/A ASP 57.A N VAL 54.A O no hydrogen 3.355 N/A ILE 59.A N THR 30.A O no hydrogen 2.910 N/A SER 60.A N TRP 51.A O no hydrogen 2.795 N/A SER 60.A OG GLY 63.A O no hydrogen 2.711 N/A TYR 61.A N PHE 28.A O no hydrogen 2.701 N/A TYR 61.A OH THR 35.A OG1 no hydrogen 2.905 N/A TYR 61.A OH SER 38.A O no hydrogen 2.597 N/A GLY 62.A N GLU 48.A O no hydrogen 3.056 N/A GLY 63.A N SER 50.A OG no hydrogen 2.803 N/A ASP 76.A N GLU 75.A OE1 no hydrogen 3.289 N/A VAL 77.A N THR 93.A O no hydrogen 3.366 N/A GLN 78.A N ILE 122.A O no hydrogen 2.809 N/A VAL 79.A N VAL 91.A O no hydrogen 2.675 N/A LEU 80.A N PRO 120.A O no hydrogen 2.875 N/A ALA 81.A N LYS 89.A O no hydrogen 2.872 N/A ILE 82.A N SER 119.A OG no hydrogen 3.073 N/A LYS 86.A N GLU 83.A O no hydrogen 3.085 N/A LYS 86.A NZ PRO 84.A O no hydrogen 3.444 N/A LYS 89.A N ALA 81.A O no hydrogen 3.020 N/A VAL 91.A N VAL 79.A O no hydrogen 2.831 N/A THR 93.A N VAL 77.A O no hydrogen 3.266 N/A THR 100.A N GLY 103.A O no hydrogen 3.375 N/A GLY 103.A N THR 100.A OG1 no hydrogen 3.414 N/A ILE 105.A N PHE 98.A O no hydrogen 3.273 N/A ALA 107.A N GLY 96.A O no hydrogen 2.754 N/A VAL 108.A N SER 145.A O no hydrogen 2.997 N/A PHE 112.A N TYR 132.A OH no hydrogen 3.129 N/A THR 116.A N LYS 113.A O no hydrogen 3.245 N/A THR 116.A OG1 GLU 83.A OE1 no hydrogen 2.606 N/A THR 116.A OG1 LYS 113.A O no hydrogen 2.998 N/A SER 119.A N THR 116.A O no hydrogen 3.055 N/A SER 119.A OG LEU 80.A O no hydrogen 3.415 N/A SER 119.A OG THR 116.A O no hydrogen 3.327 N/A ILE 121.A N GLY 130.A O no hydrogen 2.967 N/A ILE 122.A N GLN 78.A O no hydrogen 2.659 N/A ASN 123.A ND2 GLU 75.A OE2 no hydrogen 3.123 N/A LYS 124.A N ASN 123.A OD1 no hydrogen 2.814 N/A ILE 129.A N ILE 121.A O no hydrogen 2.836 N/A LEU 131.A N THR 148.A O no hydrogen 2.729 N/A TYR 132.A N SER 119.A O no hydrogen 3.003 N/A TYR 132.A OH LEU 110.A O no hydrogen 2.541 N/A GLY 133.A N ALA 146.A O no hydrogen 2.820 N/A SER 145.A N VAL 108.A O no hydrogen 2.907 N/A SER 145.A OG LEU 110.A O no hydrogen 2.735 N/A SER 145.A OG TYR 132.A OH no hydrogen 2.999 N/A ALA 146.A N GLY 133.A O no hydrogen 3.095 N/A ILE 147.A N GLY 106.A O no hydrogen 3.097 N/A THR 148.A N LEU 131.A O no hydrogen 2.927 N/A THR 148.A OG1 ALA 146.A O no hydrogen 3.379 N/A GLN 149.A NE2 ILE 129.A O no hydrogen 2.885 N/A ILE 164.A N GLU 162.A O no hydrogen 2.793 N/A PHE 165.A N ASP 163.A OD1 no hydrogen 3.331 N/A LYS 168.A N ALA 291.A O no hydrogen 3.361 N/A LYS 168.A NZ GLU 287.A OE1 no hydrogen 3.288 N/A THR 171.A N ALA 293.A O no hydrogen 3.071 N/A MET 173.A N PHE 295.A O no hydrogen 2.964 N/A LEU 175.A N MET 173.A O no hydrogen 2.563 N/A ARG 184.A N LYS 181.A O no hydrogen 2.866 N/A ARG 184.A NH2 ASP 157.A OD1 no hydrogen 3.289 N/A ILE 185.A N LYS 181.A O no hydrogen 2.635 N/A SER 188.A OG ASP 161.A OD2 no hydrogen 3.454 N/A ILE 189.A N ILE 185.A O no hydrogen 2.993 N/A VAL 190.A N LEU 186.A O no hydrogen 2.903 N/A ARG 191.A N PRO 187.A O no hydrogen 2.773 N/A GLU 192.A N SER 188.A O no hydrogen 3.347 N/A ALA 193.A N ILE 189.A O no hydrogen 2.862 N/A LEU 194.A N VAL 190.A O no hydrogen 3.059 N/A LYS 195.A N ARG 191.A O no hydrogen 3.253 N/A ARG 196.A N GLU 192.A O no hydrogen 3.207 N/A ARG 197.A N LEU 194.A O no hydrogen 2.972 N/A LEU 198.A N ALA 193.A O no hydrogen 3.435 N/A THR 200.A OG1 LEU 198.A O no hydrogen 2.688 N/A LEU 201.A N LEU 262.A O no hydrogen 3.107 N/A ILE 202.A N ASP 240.A O no hydrogen 2.753 N/A LEU 203.A N VAL 264.A O no hydrogen 2.855 N/A ALA 204.A N MET 242.A O no hydrogen 2.888 N/A ARG 207.A NH1 GLU 214.A OE2 no hydrogen 3.150 N/A VAL 208.A N ASP 373.A OD2 no hydrogen 3.142 N/A VAL 209.A N THR 206.A OG1 no hydrogen 2.910 N/A ALA 211.A N ARG 207.A O no hydrogen 2.833 N/A GLU 212.A N VAL 209.A O no hydrogen 2.860 N/A MET 213.A N VAL 209.A O no hydrogen 2.953 N/A GLU 214.A N ALA 210.A O no hydrogen 2.886 N/A ALA 216.A N GLU 212.A O no hydrogen 3.284 N/A LEU 217.A N MET 213.A O no hydrogen 2.809 N/A ARG 218.A N GLU 215.A O no hydrogen 2.913 N/A ARG 223.A N VAL 239.A O no hydrogen 2.949 N/A GLN 225.A N LEU 241.A O no hydrogen 2.985 N/A GLN 225.A NE2 ARG 223.A O no hydrogen 3.164 N/A GLN 225.A NE2 ASP 232.A OD1 no hydrogen 3.518 N/A VAL 229.A N THR 226.A O no hydrogen 3.296 N/A VAL 239.A N PRO 221.A O no hydrogen 2.923 N/A ASP 240.A N THR 200.A O no hydrogen 3.221 N/A LEU 241.A N ARG 223.A O no hydrogen 3.179 N/A MET 242.A N ILE 202.A O no hydrogen 2.923 N/A CYS 243.A SG ALA 204.A O no hydrogen 3.819 N/A CYS 243.A SG TYR 224.A OH no hydrogen 3.912 N/A HIS 244.A NE2 LEU 203.A O no hydrogen 2.965 N/A PHE 247.A N CYS 243.A O no hydrogen 3.107 N/A THR 248.A N HIS 244.A O no hydrogen 3.254 N/A THR 248.A OG1 HIS 244.A O no hydrogen 3.430 N/A THR 248.A OG1 ALA 245.A O no hydrogen 3.486 N/A THR 249.A N ALA 245.A O no hydrogen 2.995 N/A THR 249.A OG1 ALA 245.A O no hydrogen 2.446 N/A THR 249.A OG1 THR 246.A O no hydrogen 3.191 N/A ARG 250.A N THR 246.A O no hydrogen 2.894 N/A ARG 250.A NE VAL 229.A O no hydrogen 2.812 N/A ARG 250.A NH1 GLN 225.A OE1 no hydrogen 3.101 N/A ARG 250.A NH2 GLN 225.A OE1 no hydrogen 3.015 N/A ARG 250.A NH2 THR 226.A O no hydrogen 3.524 N/A ARG 250.A NH2 VAL 229.A O no hydrogen 3.343 N/A LEU 251.A N PHE 247.A O no hydrogen 2.983 N/A LEU 252.A N THR 248.A O no hydrogen 2.891 N/A SER 253.A N THR 249.A O no hydrogen 2.869 N/A SER 253.A OG THR 249.A O no hydrogen 2.600 N/A SER 254.A N ARG 250.A O no hydrogen 2.818 N/A ARG 256.A N SER 254.A OG no hydrogen 3.269 N/A TYR 260.A N PRO 258.A O no hydrogen 2.932 N/A TYR 260.A OH ASP 240.A OD1 no hydrogen 2.698 N/A ASN 261.A N ARG 199.A O no hydrogen 3.194 N/A LEU 262.A N ARG 199.A O no hydrogen 3.263 N/A ILE 263.A N ALA 292.A O no hydrogen 3.207 N/A VAL 264.A N LEU 201.A O no hydrogen 2.869 N/A MET 265.A N ILE 294.A O no hydrogen 2.802 N/A ASP 266.A N LEU 203.A O no hydrogen 2.804 N/A ALA 268.A N MET 296.A O no hydrogen 3.088 N/A HIS 269.A NE2 GLU 267.A OE1 no hydrogen 3.169 N/A PHE 270.A N GLU 267.A O no hydrogen 3.426 N/A CYS 274.A SG THR 248.A OG1 no hydrogen 3.155 N/A SER 275.A OG ASP 272.A O no hydrogen 3.536 N/A VAL 276.A N ASP 272.A O no hydrogen 2.935 N/A ALA 277.A N PRO 273.A O no hydrogen 2.818 N/A ALA 278.A N CYS 274.A O no hydrogen 2.930 N/A ARG 279.A N SER 275.A O no hydrogen 2.993 N/A ARG 279.A NE GLU 494.A OE2 no hydrogen 2.747 N/A ARG 279.A NH1 PHE 270.A O no hydrogen 2.661 N/A ARG 279.A NH2 PHE 270.A O no hydrogen 2.797 N/A ARG 279.A NH2 GLU 494.A OE1 no hydrogen 2.566 N/A ARG 279.A NH2 GLU 494.A OE2 no hydrogen 3.372 N/A GLY 280.A N VAL 276.A O no hydrogen 2.924 N/A TYR 281.A N ALA 277.A O no hydrogen 3.012 N/A ILE 282.A N ALA 278.A O no hydrogen 2.910 N/A SER 283.A N ARG 279.A O no hydrogen 3.071 N/A THR 284.A N GLY 280.A O no hydrogen 3.278 N/A THR 284.A OG1 GLY 280.A O no hydrogen 2.728 N/A THR 284.A OG1 TYR 281.A O no hydrogen 3.258 N/A ARG 285.A N TYR 281.A O no hydrogen 2.989 N/A ARG 285.A NH2 TYR 260.A O no hydrogen 3.482 N/A ARG 285.A NH2 GLU 290.A O no hydrogen 3.562 N/A VAL 286.A N ILE 282.A O no hydrogen 3.082 N/A GLU 287.A N SER 283.A O no hydrogen 3.097 N/A MET 288.A N THR 284.A O no hydrogen 2.881 N/A GLY 289.A N VAL 286.A O no hydrogen 2.793 N/A GLU 290.A N ARG 285.A O no hydrogen 3.271 N/A ALA 292.A N ASN 261.A O no hydrogen 2.897 N/A ALA 293.A N ARG 169.A O no hydrogen 3.248 N/A ILE 294.A N ILE 263.A O no hydrogen 2.800 N/A PHE 295.A N THR 171.A O no hydrogen 2.805 N/A MET 296.A N MET 265.A O no hydrogen 2.848 N/A THR 297.A N MET 173.A O no hydrogen 3.059 N/A THR 299.A N THR 297.A OG1 no hydrogen 3.065 N/A THR 299.A OG1 THR 299.A O no hydrogen 2.668 N/A THR 299.A OG1 GLN 438.A OE1 no hydrogen 2.739 N/A SER 303.A N PRO 300.A O no hydrogen 2.842 N/A SER 303.A OG PRO 300.A O no hydrogen 2.602 N/A PHE 307.A N ASP 305.A OD2 no hydrogen 2.758 N/A SER 310.A N GLN 309.A OE1 no hydrogen 2.893 N/A SER 310.A OG SER 312.A O no hydrogen 2.676 N/A SER 312.A OG ASN 446.A O no hydrogen 3.417 N/A GLU 315.A N ASP 452.A O no hydrogen 2.867 N/A ILE 317.A N TYR 454.A O no hydrogen 2.915 N/A ARG 319.A N PHE 456.A O no hydrogen 3.150 N/A TRP 332.A N ASP 331.A OD2 no hydrogen 3.001 N/A THR 334.A OG1 ASP 331.A O no hydrogen 2.659 N/A THR 334.A OG1 ASP 335.A OD2 no hydrogen 3.357 N/A ASP 335.A N ASP 331.A O no hydrogen 2.545 N/A LYS 339.A NZ ASP 383.A OD2 no hydrogen 3.472 N/A LYS 339.A NZ TRP 384.A O no hydrogen 3.238 N/A THR 340.A N ASP 385.A O no hydrogen 2.774 N/A THR 340.A OG1 GLY 338.A O no hydrogen 3.299 N/A VAL 341.A N ARG 403.A O no hydrogen 2.746 N/A TRP 342.A N VAL 387.A O no hydrogen 2.862 N/A PHE 343.A N ILE 405.A O no hydrogen 3.015 N/A VAL 344.A N THR 389.A O no hydrogen 2.771 N/A ALA 349.A N SER 346.A OG no hydrogen 3.156 N/A GLY 350.A N SER 346.A O no hydrogen 2.869 N/A ASN 351.A N ILE 347.A O no hydrogen 2.996 N/A ASN 351.A ND2 LYS 348.A O no hydrogen 3.617 N/A ASP 352.A N ALA 349.A O no hydrogen 3.190 N/A ILE 353.A N ALA 349.A O no hydrogen 3.428 N/A ALA 354.A N GLY 350.A O no hydrogen 3.138 N/A ASN 355.A N ASN 351.A O no hydrogen 3.168 N/A CYS 356.A N ASP 352.A O no hydrogen 2.807 N/A CYS 356.A SG TRP 326.A O no hydrogen 3.683 N/A LEU 357.A N ILE 353.A O no hydrogen 2.783 N/A ARG 358.A N ALA 354.A O no hydrogen 2.570 N/A SER 360.A N LEU 357.A O no hydrogen 3.168 N/A GLY 361.A N ARG 358.A O no hydrogen 3.040 N/A LYS 362.A NZ THR 334.A O no hydrogen 2.909 N/A ARG 363.A NH2 ASP 383.A OD2 no hydrogen 3.037 N/A ILE 365.A N PHE 386.A O no hydrogen 2.784 N/A GLN 366.A NE2 ASN 351.A OD1 no hydrogen 3.667 N/A LEU 367.A N VAL 388.A O no hydrogen 2.831 N/A SER 368.A N THR 371.A OG1 no hydrogen 2.804 N/A SER 368.A OG THR 371.A OG1 no hydrogen 2.690 N/A ARG 369.A NH2 ASP 391.A OD1 no hydrogen 3.322 N/A THR 371.A N SER 368.A OG no hydrogen 3.377 N/A THR 371.A OG1 SER 368.A O no hydrogen 3.249 N/A THR 371.A OG1 SER 368.A OG no hydrogen 2.690 N/A THR 374.A N THR 371.A O no hydrogen 2.948 N/A THR 374.A OG1 THR 371.A O no hydrogen 3.400 N/A GLU 375.A N PHE 372.A O no hydrogen 2.960 N/A TYR 376.A N PHE 372.A O no hydrogen 2.889 N/A TYR 376.A OH ASN 398.A O no hydrogen 2.757 N/A LYS 378.A N GLU 375.A O no hydrogen 3.164 N/A LYS 378.A NZ GLU 375.A OE1 no hydrogen 2.682 N/A THR 379.A N TYR 376.A O no hydrogen 3.048 N/A THR 379.A OG1 TYR 376.A O no hydrogen 2.888 N/A LYS 380.A NZ GLU 212.A OE1 no hydrogen 3.416 N/A LYS 380.A NZ TYR 376.A OH no hydrogen 2.777 N/A LEU 381.A N PRO 377.A O no hydrogen 3.140 N/A THR 382.A N LYS 378.A O no hydrogen 2.989 N/A TRP 384.A NE1 THR 379.A O no hydrogen 2.647 N/A ASP 385.A N ARG 363.A O no hydrogen 2.994 N/A PHE 386.A N ARG 363.A O no hydrogen 3.451 N/A VAL 387.A N THR 340.A O no hydrogen 2.968 N/A VAL 388.A N ILE 365.A O no hydrogen 2.844 N/A THR 389.A N TRP 342.A O no hydrogen 2.783 N/A THR 389.A OG1 THR 390.A O no hydrogen 2.672 N/A THR 389.A OG1 SER 393.A OG no hydrogen 2.477 N/A THR 390.A N LEU 367.A O no hydrogen 3.157 N/A THR 390.A OG1 LEU 367.A O no hydrogen 3.269 N/A SER 393.A N THR 390.A O no hydrogen 3.220 N/A SER 393.A OG THR 389.A OG1 no hydrogen 2.477 N/A GLU 394.A N ASP 391.A O no hydrogen 3.155 N/A MET 395.A N ILE 392.A O no hydrogen 3.170 N/A ASN 398.A N TYR 376.A OH no hydrogen 2.877 N/A GLY 402.A N LYS 339.A O no hydrogen 2.937 N/A ARG 403.A N LYS 339.A O no hydrogen 3.360 N/A ARG 403.A NH1 TRP 332.A O no hydrogen 2.861 N/A ARG 403.A NH2 ILE 333.A O no hydrogen 2.804 N/A ARG 403.A NH2 THR 340.A OG1 no hydrogen 3.280 N/A VAL 404.A N GLN 453.A O no hydrogen 2.968 N/A ILE 405.A N VAL 341.A O no hydrogen 2.694 N/A ASP 406.A N VAL 455.A O no hydrogen 2.846 N/A ARG 408.A N ASP 406.A OD1 no hydrogen 3.133 N/A ARG 408.A NE GLY 458.A O no hydrogen 2.868 N/A ARG 408.A NH1 TYR 454.A OH no hydrogen 2.457 N/A CYS 410.A N ILE 429.A O no hydrogen 2.889 N/A CYS 410.A SG ILE 429.A O no hydrogen 3.556 N/A LYS 412.A N ALA 426.A O no hydrogen 3.141 N/A LYS 412.A NZ ASP 466.A OD2 no hydrogen 2.755 N/A VAL 414.A N ILE 424.A O no hydrogen 2.865 N/A LEU 416.A N ARG 422.A O no hydrogen 3.072 N/A VAL 423.A N LEU 578.A O no hydrogen 2.852 N/A ILE 424.A N VAL 414.A O no hydrogen 2.871 N/A ALA 426.A N LYS 412.A O no hydrogen 2.852 N/A ILE 429.A N CYS 410.A O no hydrogen 2.752 N/A VAL 431.A N ARG 408.A O no hydrogen 2.911 N/A SER 435.A N THR 432.A OG1 no hydrogen 3.063 N/A SER 435.A OG GLU 394.A OE1 no hydrogen 2.589 N/A SER 435.A OG GLU 394.A OE2 no hydrogen 2.768 N/A ALA 436.A N THR 432.A O no hydrogen 2.788 N/A ALA 437.A N PRO 433.A O no hydrogen 2.810 N/A GLN 438.A N ALA 434.A O no hydrogen 2.913 N/A ARG 439.A N SER 435.A O no hydrogen 3.004 N/A ARG 439.A NE GLU 394.A OE1 no hydrogen 2.981 N/A ARG 439.A NH1 ASP 406.A OD1 no hydrogen 2.948 N/A ARG 439.A NH1 ARG 409.A O no hydrogen 2.948 N/A ARG 439.A NH2 ARG 409.A O no hydrogen 2.978 N/A ARG 440.A N ALA 436.A O no hydrogen 2.961 N/A ARG 440.A NE ASP 316.A OD1 no hydrogen 3.054 N/A ARG 440.A NH1 PRO 308.A O no hydrogen 2.943 N/A ARG 440.A NH2 ASP 316.A OD1 no hydrogen 3.081 N/A GLY 441.A N ALA 437.A O no hydrogen 2.957 N/A ARG 442.A N ARG 439.A O no hydrogen 3.093 N/A ARG 442.A NE GLN 438.A O no hydrogen 3.197 N/A ARG 442.A NH1 ALA 397.A O no hydrogen 2.803 N/A ARG 442.A NH2 GLN 438.A O no hydrogen 3.563 N/A ILE 443.A N ARG 440.A O no hydrogen 2.993 N/A ARG 445.A NE GLY 441.A O no hydrogen 3.134 N/A ARG 445.A NH2 GLY 441.A O no hydrogen 2.607 N/A GLU 450.A N GLN 449.A OE1 no hydrogen 3.383 N/A GLN 453.A N GLY 402.A O no hydrogen 2.862 N/A TYR 454.A N GLU 315.A O no hydrogen 2.730 N/A TYR 454.A OH ASP 406.A OD2 no hydrogen 2.497 N/A VAL 455.A N VAL 404.A O no hydrogen 2.790 N/A PHE 456.A N ILE 317.A O no hydrogen 2.901 N/A SER 457.A OG ARG 319.A O no hydrogen 3.393 N/A LEU 461.A N VAL 431.A O no hydrogen 2.932 N/A HIS 467.A N ASP 464.A O no hydrogen 3.046 N/A ALA 468.A N PRO 413.A O no hydrogen 2.816 N/A TRP 470.A NE1 ASP 464.A O no hydrogen 3.058 N/A GLU 472.A N ALA 468.A O no hydrogen 2.804 N/A ALA 473.A N HIS 469.A O no hydrogen 2.747 N/A LYS 474.A N TRP 470.A O no hydrogen 3.005 N/A LYS 474.A NZ ASP 502.A OD1 no hydrogen 3.483 N/A MET 475.A N THR 471.A O no hydrogen 3.336 N/A LEU 476.A N GLU 472.A O no hydrogen 3.149 N/A LEU 477.A N ALA 473.A O no hydrogen 2.560 N/A ASP 478.A N LYS 474.A O no hydrogen 2.968 N/A ASN 479.A N LEU 476.A O no hydrogen 3.472 N/A ASN 479.A ND2 MET 475.A O no hydrogen 2.604 N/A ASN 479.A ND2 PHE 505.A O no hydrogen 3.337 N/A ILE 480.A N LEU 477.A O no hydrogen 3.012 N/A THR 482.A OG1 ILE 486.A O no hydrogen 3.229 N/A GLY 485.A N THR 482.A O no hydrogen 3.166 N/A ILE 486.A N THR 482.A OG1 no hydrogen 2.884 N/A GLU 494.A N PHE 491.A O no hydrogen 2.858 N/A ARG 495.A N GLY 492.A O no hydrogen 2.817 N/A LYS 497.A N GLU 494.A O no hydrogen 3.318 N/A LYS 497.A NZ ASP 464.A OD2 no hydrogen 2.728 N/A THR 498.A N ARG 495.A O no hydrogen 3.101 N/A THR 498.A OG1 ARG 495.A O no hydrogen 3.281 N/A ILE 501.A N GLU 504.A OE1 no hydrogen 3.076 N/A GLU 504.A N ILE 501.A O no hydrogen 3.468 N/A PHE 505.A N ASP 478.A OD2 no hydrogen 3.312 N/A ARG 506.A N GLY 503.A O no hydrogen 2.724 N/A LEU 507.A N ASN 479.A OD1 no hydrogen 2.675 N/A ARG 508.A NE TYR 481.A OH no hydrogen 3.469 N/A ARG 508.A NH2 TYR 481.A OH no hydrogen 2.824 N/A ARG 512.A N ARG 508.A O no hydrogen 3.295 N/A ARG 512.A NE ASN 479.A O no hydrogen 2.845 N/A ARG 512.A NH2 LEU 252.A O no hydrogen 2.880 N/A ARG 512.A NH2 ASN 479.A O no hydrogen 2.888 N/A THR 514.A N GLU 510.A O no hydrogen 3.332 N/A THR 514.A OG1 GLU 510.A O no hydrogen 3.012 N/A PHE 515.A N GLN 511.A O no hydrogen 2.957 N/A VAL 516.A N ARG 512.A O no hydrogen 3.215 N/A GLU 517.A N LYS 513.A O no hydrogen 3.006 N/A LEU 518.A N THR 514.A O no hydrogen 2.723 N/A ARG 520.A N VAL 516.A O no hydrogen 2.786 N/A ARG 521.A N GLU 517.A O no hydrogen 2.731 N/A ARG 521.A NE GLU 517.A OE1 no hydrogen 3.510 N/A ARG 521.A NE GLU 517.A OE2 no hydrogen 2.802 N/A GLY 522.A N GLU 517.A O no hydrogen 3.340 N/A LEU 524.A N LEU 518.A O no hydrogen 2.992 N/A TRP 527.A N GLU 472.A OE2 no hydrogen 3.120 N/A TRP 527.A NE1 GLU 421.A OE2 no hydrogen 2.806 N/A SER 529.A N PRO 525.A O no hydrogen 3.009 N/A SER 529.A OG PRO 525.A O no hydrogen 2.398 N/A SER 529.A OG VAL 526.A O no hydrogen 2.890 N/A TYR 530.A N VAL 526.A O no hydrogen 2.896 N/A LYS 531.A N TRP 527.A O no hydrogen 3.017 N/A LYS 531.A NZ GLU 421.A OE1 no hydrogen 2.712 N/A VAL 532.A N LEU 528.A O no hydrogen 2.952 N/A ALA 533.A N SER 529.A O no hydrogen 3.001 N/A SER 534.A N TYR 530.A O no hydrogen 2.945 N/A SER 534.A OG TYR 530.A O no hydrogen 2.716 N/A ALA 535.A N VAL 532.A O no hydrogen 3.223 N/A GLY 536.A N ALA 533.A O no hydrogen 2.700 N/A TYR 539.A OH LYS 600.A O no hydrogen 3.123 N/A ARG 542.A NE TYR 539.A O no hydrogen 2.907 N/A ARG 542.A NH1 PHE 595.A O no hydrogen 2.675 N/A ARG 542.A NH2 TYR 539.A O no hydrogen 2.931 N/A ARG 542.A NH2 LYS 600.A OXT no hydrogen 3.194 N/A CYS 545.A N ARG 542.A O no hydrogen 2.948 N/A CYS 545.A SG ARG 542.A O no hydrogen 3.366 N/A THR 547.A N TRP 544.A O no hydrogen 3.519 N/A ASN 552.A N GLU 549.A O no hydrogen 2.846 N/A ASN 552.A ND2 PRO 575.A O no hydrogen 2.596 N/A GLN 553.A N ARG 550.A O no hydrogen 3.380 N/A GLN 553.A NE2 ILE 554.A O no hydrogen 2.737 N/A GLN 553.A NE2 VAL 561.A O no hydrogen 3.391 N/A ILE 554.A N LEU 573.A O no hydrogen 2.842 N/A GLU 556.A N MET 559.A O no hydrogen 2.934 N/A MET 559.A N GLU 556.A O no hydrogen 3.076 N/A VAL 561.A N ILE 554.A O no hydrogen 3.244 N/A ILE 563.A N LYS 571.A O no hydrogen 3.020 N/A THR 565.A N GLU 569.A O no hydrogen 3.088 N/A THR 565.A OG1 GLU 567.A OE1 no hydrogen 2.448 N/A ARG 566.A NH2 GLY 598.A O no hydrogen 2.646 N/A GLY 568.A N THR 565.A O no hydrogen 3.149 N/A LYS 571.A N ILE 563.A O no hydrogen 3.139 N/A LEU 573.A N VAL 561.A O no hydrogen 2.814 N/A ARG 574.A N CYS 545.A O no hydrogen 2.757 N/A ARG 574.A NH2 GLN 553.A OE1 no hydrogen 3.523 N/A LYS 576.A N TRP 544.A O no hydrogen 3.125 N/A ALA 580.A N VAL 423.A O no hydrogen 2.912 N/A ARG 581.A N ASP 579.A OD2 no hydrogen 3.191 N/A ARG 581.A NE ASP 579.A OD2 no hydrogen 3.060 N/A ARG 581.A NH1 GLU 472.A OE1 no hydrogen 2.669 N/A ARG 581.A NH1 GLU 472.A OE2 no hydrogen 2.761 N/A ARG 581.A NH2 GLU 472.A OE2 no hydrogen 3.147 N/A ARG 581.A NH2 ASP 579.A OD1 no hydrogen 2.595 N/A ARG 581.A NH2 ASP 579.A OD2 no hydrogen 3.256 N/A VAL 582.A N ASP 579.A O no hydrogen 3.130 N/A TYR 583.A N ALA 580.A O no hydrogen 2.861 N/A ALA 588.A N ASP 585.A OD1 no hydrogen 3.032 N/A LEU 589.A N ASP 585.A O no hydrogen 3.034 N/A LYS 590.A N PRO 586.A O no hydrogen 2.586 N/A ASP 591.A N MET 587.A O no hydrogen 2.985 N/A PHE 592.A N ALA 588.A O no hydrogen 2.898 N/A LYS 593.A N LEU 589.A O no hydrogen 2.746 N/A LYS 593.A NZ GLU 556.A OE2 no hydrogen 2.888 N/A GLU 594.A N LYS 590.A O no hydrogen 3.229 N/A PHE 595.A N ASP 591.A O no hydrogen 3.288 N/A ALA 596.A N PHE 592.A O no hydrogen 2.909 N/A SER 597.A N LYS 593.A O no hydrogen 3.029 N/A SER 597.A OG LYS 593.A O no hydrogen 3.033 N/A GLY 598.A N PHE 595.A O no hydrogen 2.957 N/A ARG 599.A N GLU 594.A O no hydrogen 3.035 N/A ARG 599.A NH1 GLU 594.A OE1 no hydrogen 3.455 N/A LYS 600.A NZ GLY 522.A O no hydrogen 3.166 N/A LYS 600.A NZ ASP 591.A OD1 no hydrogen 2.685 N/A LYS 600.A NZ ASP 591.A OD2 no hydrogen 2.915 N/A