Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ij1_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 34.A OH no hydrogen 3.389 N/A ALA 5.A N MET 1.A O no hydrogen 3.062 N/A GLY 6.A N GLU 2.A O no hydrogen 2.887 N/A TYR 7.A N GLY 3.A O no hydrogen 2.931 N/A VAL 8.A N LEU 4.A O no hydrogen 2.875 N/A TYR 9.A N ALA 5.A O no hydrogen 2.891 N/A TYR 9.A OH SER 40.A O no hydrogen 3.188 N/A LYS 10.A N GLY 6.A O no hydrogen 2.897 N/A ALA 11.A N TYR 7.A O no hydrogen 2.910 N/A ALA 12.A N VAL 8.A O no hydrogen 2.876 N/A SER 13.A N TYR 9.A O no hydrogen 2.888 N/A SER 13.A OG LYS 10.A O no hydrogen 2.485 N/A GLU 14.A N LYS 10.A O no hydrogen 2.914 N/A GLY 15.A N ALA 11.A O no hydrogen 2.671 N/A THR 19.A OG1 GLU 14.A OE1 no hydrogen 3.154 N/A THR 19.A OG1 LYS 16.A O no hydrogen 2.981 N/A LEU 20.A N LYS 16.A O no hydrogen 2.948 N/A ALA 21.A N VAL 17.A O no hydrogen 2.907 N/A ALA 22.A N LEU 18.A O no hydrogen 2.894 N/A LEU 23.A N THR 19.A O no hydrogen 2.899 N/A LEU 24.A N ALA 21.A O no hydrogen 3.104 N/A LEU 25.A N ALA 22.A O no hydrogen 3.289 N/A ARG 27.A NH1 ASN 26.A O no hydrogen 3.547 N/A SER 28.A N ASP 31.A OD2 no hydrogen 3.191 N/A GLU 29.A N SER 28.A OG no hydrogen 2.697 N/A ILE 32.A N SER 28.A O no hydrogen 2.650 N/A ARG 33.A N GLU 29.A O no hydrogen 2.928 N/A TYR 34.A N SER 30.A O no hydrogen 2.891 N/A LEU 35.A N ASP 31.A O no hydrogen 2.923 N/A LEU 36.A N ILE 32.A O no hydrogen 2.875 N/A GLY 37.A N ARG 33.A O no hydrogen 2.914 N/A GLY 37.A N TYR 34.A O no hydrogen 3.209 N/A TYR 38.A N LEU 35.A O no hydrogen 3.200 N/A SER 40.A N SER 47.A O no hydrogen 3.207 N/A SER 47.A N SER 40.A O no hydrogen 3.317 N/A SER 47.A OG GLN 45.A O no hydrogen 3.226 N/A ILE 51.A N THR 48.A OG1 no hydrogen 3.158 N/A ILE 52.A N THR 48.A O no hydrogen 2.779 N/A ALA 53.A N PRO 49.A O no hydrogen 2.903 N/A ALA 54.A N LEU 50.A O no hydrogen 2.907 N/A ARG 55.A N ILE 51.A O no hydrogen 2.899 N/A ARG 55.A NH2 ARG 80.A O no hydrogen 2.681 N/A ASN 56.A N ILE 52.A O no hydrogen 2.898 N/A GLY 57.A N ALA 53.A O no hydrogen 3.235 N/A VAL 62.A N HIS 58.A O no hydrogen 3.344 N/A ARG 63.A N ALA 59.A O no hydrogen 2.863 N/A LEU 64.A N LYS 60.A O no hydrogen 2.900 N/A LEU 65.A N VAL 61.A O no hydrogen 2.922 N/A LEU 66.A N VAL 62.A O no hydrogen 2.889 N/A LEU 66.A N ARG 63.A O no hydrogen 3.271 N/A GLU 67.A N ARG 63.A O no hydrogen 2.891 N/A ARG 70.A NE HIS 68.A O no hydrogen 3.155 N/A ARG 70.A NH2 GLU 29.A OE1 no hydrogen 2.894 N/A VAL 71.A N LEU 65.A O no hydrogen 3.331 N/A GLN 75.A N GLN 72.A O no hydrogen 3.321 N/A THR 76.A OG1 GLN 74.A O no hydrogen 3.333 N/A PHE 81.A N TYR 84.A O no hydrogen 3.151 N/A TYR 84.A N PHE 81.A O no hydrogen 3.203 N/A ILE 86.A N VAL 79.A O no hydrogen 3.023 N/A CYS 94.A N THR 90.A O no hydrogen 2.642 N/A CYS 94.A SG THR 90.A O no hydrogen 3.090 N/A ALA 95.A N ALA 91.A O no hydrogen 2.895 N/A ALA 96.A N LEU 92.A O no hydrogen 2.906 N/A GLY 97.A N TRP 93.A O no hydrogen 2.895 N/A ALA 98.A N CYS 94.A O no hydrogen 2.892 N/A GLY 99.A N ALA 95.A O no hydrogen 2.829 N/A VAL 104.A N HIS 100.A O no hydrogen 3.146 N/A LYS 105.A N PHE 101.A O no hydrogen 2.900 N/A LEU 106.A N GLU 102.A O no hydrogen 2.912 N/A LEU 107.A N VAL 103.A O no hydrogen 2.926 N/A VAL 108.A N VAL 104.A O no hydrogen 2.887 N/A SER 109.A N LYS 105.A O no hydrogen 2.906 N/A HIS 110.A N LEU 106.A O no hydrogen 3.039 N/A HIS 110.A ND1 LEU 106.A O no hydrogen 2.315 N/A THR 118.A OG1 SER 122.A O no hydrogen 2.867 N/A THR 120.A OG1 SER 122.A OG no hydrogen 3.032 N/A ASN 121.A N THR 118.A O no hydrogen 2.913 N/A SER 122.A OG THR 120.A OG1 no hydrogen 3.032 N/A THR 123.A OG1 VAL 114.A O no hydrogen 3.215 N/A ARG 126.A N THR 123.A O no hydrogen 2.962 N/A ALA 127.A N THR 123.A O no hydrogen 3.365 N/A ALA 128.A N PRO 124.A O no hydrogen 2.902 N/A CYS 129.A N LEU 125.A O no hydrogen 2.871 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.195 N/A PHE 130.A N ARG 126.A O no hydrogen 2.906 N/A ASP 131.A N ALA 127.A O no hydrogen 2.904 N/A GLY 132.A N ALA 128.A O no hydrogen 2.536 N/A ILE 136.A N ASP 135.A OD1 no hydrogen 2.537 N/A VAL 137.A N ARG 133.A O no hydrogen 3.192 N/A LYS 138.A N LEU 134.A O no hydrogen 2.902 N/A TYR 139.A N ASP 135.A O no hydrogen 2.892 N/A LEU 140.A N ILE 136.A O no hydrogen 2.913 N/A VAL 141.A N VAL 137.A O no hydrogen 2.887 N/A GLU 142.A N LYS 138.A O no hydrogen 2.928 N/A ASN 143.A N TYR 139.A O no hydrogen 3.297 N/A ASN 143.A N LEU 140.A O no hydrogen 3.140 N/A ASN 146.A N ASN 115.A OD1 no hydrogen 3.212 N/A SER 148.A N ASN 146.A OD1 no hydrogen 3.318 N/A ASN 151.A N ASN 155.A O no hydrogen 3.150 N/A LYS 152.A NZ VAL 119.A O no hydrogen 3.395 N/A ASP 154.A N ASN 151.A O no hydrogen 3.083 N/A ILE 160.A N THR 156.A O no hydrogen 3.308 N/A ALA 161.A N CYS 157.A O no hydrogen 2.886 N/A ALA 162.A N LEU 158.A O no hydrogen 2.922 N/A TYR 163.A N MET 159.A O no hydrogen 2.888 N/A LYS 164.A N ILE 160.A O no hydrogen 2.904 N/A GLY 165.A N ALA 161.A O no hydrogen 2.730 N/A VAL 169.A N ASP 168.A OD1 no hydrogen 2.675 N/A VAL 170.A N HIS 166.A O no hydrogen 3.336 N/A ARG 171.A N THR 167.A O no hydrogen 2.889 N/A TYR 172.A N ASP 168.A O no hydrogen 2.909 N/A LEU 173.A N VAL 169.A O no hydrogen 2.882 N/A LEU 174.A N VAL 170.A O no hydrogen 2.906 N/A GLU 175.A N ARG 171.A O no hydrogen 2.895 N/A GLN 176.A N TYR 172.A O no hydrogen 3.201 N/A GLN 176.A N LEU 173.A O no hydrogen 3.115 N/A GLN 176.A NE2 TYR 172.A O no hydrogen 2.558 N/A ARG 177.A N LEU 174.A O no hydrogen 2.871 N/A ASN 181.A N ASP 179.A OD1 no hydrogen 3.028 N/A HIS 185.A ND1 TYR 153.A O no hydrogen 2.736 N/A CYS 186.A SG TYR 153.A OH no hydrogen 2.917 N/A GLY 187.A N ALA 184.A O no hydrogen 2.936 N/A HIS 192.A N THR 189.A O no hydrogen 2.804 N/A HIS 192.A ND1 THR 189.A O no hydrogen 2.799 N/A ALA 194.A N ALA 190.A O no hydrogen 2.905 N/A ALA 195.A N LEU 191.A O no hydrogen 2.870 N/A GLU 196.A N HIS 192.A O no hydrogen 2.931 N/A ALA 197.A N PHE 193.A O no hydrogen 2.890 N/A GLY 198.A N ALA 194.A O no hydrogen 2.502 N/A ILE 202.A N ASP 201.A OD1 no hydrogen 2.648 N/A VAL 203.A N HIS 199.A O no hydrogen 3.195 N/A LYS 204.A N ILE 200.A O no hydrogen 2.915 N/A GLU 205.A N ASP 201.A O no hydrogen 2.883 N/A LEU 206.A N ILE 202.A O no hydrogen 2.901 N/A ILE 207.A N VAL 203.A O no hydrogen 2.918 N/A LYS 208.A N LYS 204.A O no hydrogen 2.891 N/A ARG 210.A N ILE 207.A O no hydrogen 3.068 N/A LYS 224.A N THR 221.A OG1 no hydrogen 3.387 N/A VAL 225.A N THR 221.A O no hydrogen 3.016 N/A ALA 226.A N PRO 222.A O no hydrogen 2.891 N/A ALA 227.A N LEU 223.A O no hydrogen 2.926 N/A GLU 228.A N LYS 224.A O no hydrogen 2.908 N/A SER 229.A N VAL 225.A O no hydrogen 3.415 N/A CYS 230.A N ALA 227.A O no hydrogen 3.398 N/A CYS 230.A SG GLU 228.A O no hydrogen 3.906 N/A VAL 235.A N LYS 231.A O no hydrogen 3.469 N/A GLU 236.A N ALA 232.A O no hydrogen 2.903 N/A LEU 237.A N ASP 233.A O no hydrogen 2.936 N/A LEU 238.A N VAL 234.A O no hydrogen 2.908 N/A LEU 239.A N VAL 235.A O no hydrogen 2.904 N/A SER 240.A N GLU 236.A O no hydrogen 2.906 N/A HIS 241.A N LEU 237.A O no hydrogen 2.964 N/A ALA 242.A N LEU 238.A O no hydrogen 2.670 N/A CYS 244.A SG ALA 242.A O no hydrogen 3.864 N/A CYS 244.A SG ASP 243.A O no hydrogen 3.162 N/A SER 248.A N ASP 245.A OD1 no hydrogen 2.676 N/A ILE 250.A N ARG 246.A O no hydrogen 2.993 N/A GLU 251.A N ARG 247.A O no hydrogen 2.896 N/A ALA 252.A N SER 248.A O no hydrogen 2.881 N/A LEU 253.A N ARG 249.A O no hydrogen 2.972 N/A GLU 254.A N ILE 250.A O no hydrogen 2.916 N/A LEU 255.A N GLU 251.A O no hydrogen 2.914 N/A LEU 256.A N ALA 252.A O no hydrogen 2.905 N/A GLY 257.A N LEU 253.A O no hydrogen 2.939 N/A ALA 258.A N GLU 254.A O no hydrogen 2.946 N/A SER 259.A N LEU 255.A O no hydrogen 2.897 N/A SER 259.A OG GLU 228.A O no hydrogen 3.096 N/A SER 259.A OG LEU 255.A O no hydrogen 2.774 N/A PHE 260.A N LEU 256.A O no hydrogen 2.952 N/A ALA 261.A N GLY 257.A O no hydrogen 2.919 N/A ASN 262.A N ALA 258.A O no hydrogen 2.977 N/A ASN 262.A ND2 HIS 325.A O no hydrogen 3.334 N/A ASP 263.A N SER 259.A O no hydrogen 3.253 N/A ARG 264.A NH1 TYR 349.A O no hydrogen 3.548 N/A GLU 265.A N ASP 263.A OD2 no hydrogen 2.893 N/A TYR 267.A OH HIS 325.A NE2 no hydrogen 3.263 N/A THR 272.A N ASP 268.A O no hydrogen 3.332 N/A THR 272.A OG1 GLY 257.A O no hydrogen 2.767 N/A THR 272.A OG1 ASP 268.A O no hydrogen 3.222 N/A TYR 273.A N ILE 269.A O no hydrogen 3.103 N/A HIS 274.A N ILE 270.A O no hydrogen 2.875 N/A TYR 275.A N LYS 271.A O no hydrogen 2.912 N/A LEU 276.A N THR 272.A O no hydrogen 2.942 N/A TYR 277.A N TYR 273.A O no hydrogen 2.881 N/A LEU 278.A N HIS 274.A O no hydrogen 2.897 N/A ALA 279.A N TYR 275.A O no hydrogen 2.948 N/A MET 280.A N LEU 276.A O no hydrogen 2.914 N/A LEU 281.A N TYR 277.A O no hydrogen 2.898 N/A GLU 282.A N LEU 278.A O no hydrogen 2.931 N/A ARG 283.A N ALA 279.A O no hydrogen 2.950 N/A PHE 284.A N MET 280.A O no hydrogen 3.226 N/A GLN 285.A N GLU 282.A O no hydrogen 3.386 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.503 N/A LYS 293.A NZ CYS 308.A O no hydrogen 3.081 N/A TYR 302.A N ILE 299.A O no hydrogen 2.980 N/A TYR 302.A OH GLU 333.A OE1 no hydrogen 2.233 N/A GLY 303.A N HIS 300.A O no hydrogen 3.178 N/A THR 306.A OG1 ASN 304.A O no hydrogen 3.455 N/A CYS 308.A N GLU 327.A OE2 no hydrogen 3.331 N/A CYS 308.A SG GLU 327.A OE1 no hydrogen 3.457 N/A ARG 309.A N GLU 313.A OE1 no hydrogen 2.525 N/A ASN 310.A N GLU 313.A OE1 no hydrogen 2.440 N/A GLU 313.A N ASN 310.A O no hydrogen 2.861 N/A LEU 314.A N ASN 310.A O no hydrogen 3.416 N/A GLU 315.A N PRO 311.A O no hydrogen 2.914 N/A SER 316.A N GLN 312.A O no hydrogen 2.896 N/A SER 316.A OG GLN 312.A O no hydrogen 3.045 N/A ILE 317.A N GLU 313.A O no hydrogen 2.911 N/A ARG 318.A N GLU 315.A O no hydrogen 3.286 N/A ASP 320.A N ILE 317.A O no hydrogen 3.130 N/A ASP 322.A N ASP 320.A OD1 no hydrogen 2.958 N/A LEU 324.A N ASP 320.A O no hydrogen 3.349 N/A HIS 325.A N ARG 321.A O no hydrogen 2.916 N/A MET 326.A N ASP 322.A O no hydrogen 2.938 N/A GLU 327.A N ALA 323.A O no hydrogen 2.870 N/A GLY 328.A N LEU 324.A O no hydrogen 2.891 N/A LEU 329.A N HIS 325.A O no hydrogen 2.985 N/A ILE 330.A N MET 326.A O no hydrogen 2.894 N/A VAL 331.A N GLU 327.A O no hydrogen 2.887 N/A ARG 332.A N GLY 328.A O no hydrogen 2.936 N/A ARG 332.A NH1 GLU 228.A OE2 no hydrogen 2.890 N/A GLU 333.A N LEU 329.A O no hydrogen 2.914 N/A ARG 334.A N ILE 330.A O no hydrogen 2.876 N/A ARG 334.A NH2 GLU 254.A OE1 no hydrogen 3.174 N/A ILE 335.A N VAL 331.A O no hydrogen 2.931 N/A LEU 336.A N ARG 332.A O no hydrogen 2.900 N/A GLY 337.A N GLU 333.A O no hydrogen 2.941 N/A ASP 342.A N ASN 340.A OD1 no hydrogen 3.333 N/A SER 344.A N ILE 341.A O no hydrogen 2.899 N/A SER 344.A OG ILE 341.A O no hydrogen 2.823 N/A HIS 345.A N ASP 342.A O no hydrogen 2.927 N/A ILE 348.A N SER 344.A O no hydrogen 3.482 N/A ARG 350.A N PRO 346.A O no hydrogen 2.825 N/A ARG 350.A NH1 TYR 267.A OH no hydrogen 3.083 N/A ARG 350.A NH2 TYR 267.A OH no hydrogen 3.136 N/A GLY 351.A N ILE 347.A O no hydrogen 2.825 N/A ALA 352.A N ILE 348.A O no hydrogen 2.675 N/A VAL 353.A N TYR 349.A O no hydrogen 3.065 N/A TYR 354.A N ARG 350.A O no hydrogen 3.110 N/A ALA 355.A N GLY 351.A O no hydrogen 2.488 N/A ASP 356.A N ALA 352.A O no hydrogen 2.885 N/A ASP 356.A N VAL 353.A O no hydrogen 2.955 N/A ASN 357.A N TYR 354.A O no hydrogen 2.950 N/A MET 358.A N TYR 354.A O no hydrogen 2.633 N/A GLU 359.A N GLU 359.A OE1 no hydrogen 2.582 N/A GLN 362.A N GLN 362.A OE1 no hydrogen 2.875 N/A CYS 363.A SG GLY 351.A O no hydrogen 3.342 N/A ILE 364.A N PHE 360.A O no hydrogen 3.203 N/A LYS 365.A NZ HIS 300.A O no hydrogen 3.042 N/A LEU 366.A N GLN 362.A O no hydrogen 2.919 N/A TRP 367.A N CYS 363.A O no hydrogen 2.921 N/A LEU 368.A N ILE 364.A O no hydrogen 2.866 N/A HIS 369.A N LYS 365.A O no hydrogen 2.917 N/A ALA 370.A N LEU 366.A O no hydrogen 2.941 N/A LEU 371.A N TRP 367.A O no hydrogen 2.856 N/A HIS 372.A N LEU 368.A O no hydrogen 2.893 N/A LEU 373.A N HIS 369.A O no hydrogen 2.945 N/A ARG 374.A N ALA 370.A O no hydrogen 2.911 N/A ARG 374.A NH1 SER 344.A OG no hydrogen 3.411 N/A ARG 374.A NH2 ASN 380.A O no hydrogen 3.006 N/A GLN 375.A N LEU 371.A O no hydrogen 2.846 N/A LYS 376.A N HIS 372.A O no hydrogen 2.935 N/A GLY 377.A N ARG 374.A O no hydrogen 3.043 N/A ASN 380.A ND2 HIS 382.A ND1 no hydrogen 2.990 N/A HIS 382.A N ASN 380.A OD1 no hydrogen 2.806 N/A HIS 382.A ND1 ASN 380.A OD1 no hydrogen 2.986 N/A LYS 383.A NZ HIS 382.A NE2 no hydrogen 3.441 N/A LEU 385.A N THR 381.A O no hydrogen 2.905 N/A LEU 386.A N HIS 382.A O no hydrogen 2.922 N/A ARG 387.A N LYS 383.A O no hydrogen 2.933 N/A PHE 388.A N ASP 384.A O no hydrogen 2.903 N/A ALA 389.A N LEU 385.A O no hydrogen 2.870 N/A GLN 390.A N LEU 386.A O no hydrogen 2.897 N/A VAL 391.A N ARG 387.A O no hydrogen 2.936 N/A PHE 392.A N PHE 388.A O no hydrogen 2.988 N/A SER 393.A N ALA 389.A O no hydrogen 2.870 N/A SER 393.A OG ALA 389.A O no hydrogen 3.366 N/A SER 393.A OG GLN 390.A O no hydrogen 2.393 N/A GLN 394.A N GLN 390.A O no hydrogen 2.931 N/A MET 395.A N VAL 391.A O no hydrogen 2.951 N/A ILE 396.A N PHE 392.A O no hydrogen 2.843 N/A HIS 397.A N SER 393.A O no hydrogen 2.954 N/A LEU 398.A N GLN 394.A O no hydrogen 2.930 N/A ASN 399.A N ILE 396.A O no hydrogen 2.774 N/A ILE 407.A N ASP 406.A OD1 no hydrogen 2.850 N/A CYS 409.A N PRO 405.A O no hydrogen 2.887 N/A VAL 410.A N ASP 406.A O no hydrogen 2.981 N/A LEU 411.A N ILE 407.A O no hydrogen 2.933 N/A ARG 412.A N GLU 408.A O no hydrogen 2.841 N/A ARG 412.A NH2 LEU 450.A O no hydrogen 2.735 N/A CYS 413.A N CYS 409.A O no hydrogen 2.953 N/A CYS 413.A SG CYS 409.A O no hydrogen 3.532 N/A SER 414.A N VAL 410.A O no hydrogen 2.954 N/A SER 414.A OG VAL 410.A O no hydrogen 3.032 N/A VAL 415.A N LEU 411.A O no hydrogen 2.889 N/A LEU 416.A N ARG 412.A O no hydrogen 2.884 N/A GLU 417.A N CYS 413.A O no hydrogen 2.930 N/A ILE 418.A N SER 414.A O no hydrogen 2.945 N/A GLU 419.A N VAL 415.A O no hydrogen 2.923 N/A GLN 420.A N LEU 416.A O no hydrogen 3.341 N/A SER 421.A N GLU 417.A O no hydrogen 2.939 N/A SER 421.A OG GLU 417.A O no hydrogen 2.927 N/A MET 422.A N ILE 418.A O no hydrogen 2.921 N/A ASN 423.A N GLU 419.A O no hydrogen 2.916 N/A ARG 424.A N GLN 420.A O no hydrogen 2.919 N/A VAL 425.A N SER 421.A O no hydrogen 2.931 N/A LYS 426.A N MET 422.A O no hydrogen 2.865 N/A ASN 427.A N ASN 423.A O no hydrogen 2.916 N/A ILE 428.A N ARG 424.A O no hydrogen 2.907 N/A ILE 428.A N VAL 425.A O no hydrogen 3.007 N/A MET 437.A N VAL 433.A O no hydrogen 2.543 N/A ASP 438.A N HIS 434.A O no hydrogen 2.926 N/A ASN 439.A N ASN 435.A O no hydrogen 2.892 N/A TYR 440.A N ALA 436.A O no hydrogen 2.838 N/A GLU 441.A N MET 437.A O no hydrogen 3.062 N/A CYS 442.A N ASP 438.A O no hydrogen 2.894 N/A CYS 442.A SG ASP 438.A O no hydrogen 3.254 N/A ASN 443.A N ASN 439.A O no hydrogen 2.828 N/A LEU 444.A N TYR 440.A O no hydrogen 2.990 N/A TYR 445.A N GLU 441.A O no hydrogen 2.913 N/A THR 446.A N CYS 442.A O no hydrogen 2.915 N/A THR 446.A OG1 CYS 442.A O no hydrogen 3.342 N/A THR 446.A OG1 ASN 443.A O no hydrogen 2.440 N/A PHE 447.A N ASN 443.A O no hydrogen 2.882 N/A LEU 448.A N LEU 444.A O no hydrogen 2.983 N/A TYR 449.A N TYR 445.A O no hydrogen 2.988 N/A LEU 450.A N THR 446.A O no hydrogen 2.877 N/A VAL 451.A N PHE 447.A O no hydrogen 2.913 N/A CYS 452.A N LEU 448.A O no hydrogen 2.958 N/A ILE 453.A N TYR 449.A O no hydrogen 2.921 N/A SER 454.A N LEU 450.A O no hydrogen 2.883 N/A THR 455.A N VAL 451.A O no hydrogen 2.902 N/A THR 455.A OG1 VAL 451.A O no hydrogen 2.883 N/A LYS 456.A N CYS 452.A O no hydrogen 2.948 N/A THR 457.A N SER 454.A O no hydrogen 3.309 N/A CYS 459.A SG ASP 463.A OD2 no hydrogen 3.493 N/A SER 460.A OG ASP 463.A OD2 no hydrogen 2.761 N/A GLN 464.A N SER 460.A O no hydrogen 3.078 N/A CYS 465.A N GLU 461.A O no hydrogen 2.919 N/A LYS 466.A N GLU 462.A O no hydrogen 2.942 N/A LYS 466.A NZ GLU 462.A OE2 no hydrogen 3.405 N/A ILE 467.A N ASP 463.A O no hydrogen 2.842 N/A ASN 468.A N GLN 464.A O no hydrogen 3.019 N/A LYS 469.A N CYS 465.A O no hydrogen 2.751 N/A GLN 470.A N LYS 466.A O no hydrogen 2.980 N/A ILE 471.A N ILE 467.A O no hydrogen 3.127 N/A TYR 472.A N ASN 468.A O no hydrogen 2.980 N/A ASN 473.A N LYS 469.A O no hydrogen 3.240 N/A ASN 473.A ND2 LYS 469.A O no hydrogen 2.892 N/A LEU 474.A N GLN 470.A O no hydrogen 3.276 N/A ILE 475.A N ILE 471.A O no hydrogen 3.172 N/A HIS 476.A N TYR 472.A O no hydrogen 3.222 N/A ARG 480.A NH1 VAL 528.A O no hydrogen 3.190 N/A ARG 480.A NH2 VAL 528.A O no hydrogen 3.139 N/A THR 481.A N PHE 485.A O no hydrogen 3.289 N/A THR 481.A OG1 GLU 441.A OE2 no hydrogen 2.693 N/A THR 481.A OG1 GLU 483.A OE1 no hydrogen 3.336 N/A ARG 482.A N THR 481.A OG1 no hydrogen 2.552 N/A ARG 482.A NE GLU 441.A OE2 no hydrogen 3.338 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.533 N/A THR 486.A N HIS 489.A ND1 no hydrogen 2.958 N/A THR 486.A OG1 HIS 489.A ND1 no hydrogen 2.863 N/A LEU 490.A N THR 486.A O no hydrogen 3.114 N/A ALA 491.A N LEU 487.A O no hydrogen 2.905 N/A VAL 492.A N LEU 488.A O no hydrogen 2.911 N/A ASN 493.A N HIS 489.A O no hydrogen 3.398 N/A ASN 495.A ND2 LEU 490.A O no hydrogen 2.572 N/A HIS 502.A N ASP 499.A O no hydrogen 3.120 N/A ASN 511.A ND2 SER 508.A O no hydrogen 3.655 N/A VAL 514.A N ASN 511.A OD1 no hydrogen 2.749 N/A THR 515.A OG1 ASN 511.A O no hydrogen 3.523 N/A LYS 516.A N ALA 512.A O no hydrogen 2.887 N/A LEU 517.A N LEU 513.A O no hydrogen 2.908 N/A LEU 518.A N VAL 514.A O no hydrogen 2.907 N/A LEU 519.A N THR 515.A O no hydrogen 2.877 N/A ASP 520.A N LYS 516.A O no hydrogen 2.913 N/A CYS 521.A N LEU 517.A O no hydrogen 2.921 N/A CYS 521.A SG LEU 517.A O no hydrogen 3.051 N/A GLY 522.A N LEU 518.A O no hydrogen 3.298 N/A GLY 522.A N LEU 519.A O no hydrogen 3.069 N/A ALA 523.A N LEU 518.A O no hydrogen 3.419 N/A ASN 530.A ND2 GLU 483.A O no hydrogen 2.281 N/A GLU 531.A N ASP 529.A OD1 no hydrogen 2.845 N/A GLY 532.A N ASP 529.A O no hydrogen 2.730 N/A SER 534.A OG ASN 533.A O no hydrogen 2.636 N/A SER 534.A OG HIS 537.A ND1 no hydrogen 3.274 N/A LEU 536.A N ASN 533.A O no hydrogen 3.246 N/A HIS 537.A N ASN 533.A O no hydrogen 2.988 N/A HIS 537.A ND1 ASN 533.A O no hydrogen 2.377 N/A HIS 537.A NE2 LYS 574.A O no hydrogen 2.796 N/A ILE 539.A N LEU 536.A O no hydrogen 3.084 N/A TYR 542.A N VAL 540.A O no hydrogen 2.823 N/A TYR 542.A OH SER 547.A O no hydrogen 2.887 N/A PHE 549.A N ILE 546.A O no hydrogen 3.128 N/A THR 551.A OG1 ASP 548.A O no hydrogen 2.310 N/A LEU 552.A N ASP 548.A O no hydrogen 3.110 N/A HIS 553.A N PHE 549.A O no hydrogen 2.942 N/A SER 554.A N LEU 550.A O no hydrogen 2.906 N/A ILE 555.A N THR 551.A O no hydrogen 2.852 N/A ILE 556.A N LEU 552.A O no hydrogen 2.934 N/A ILE 557.A N HIS 553.A O no hydrogen 2.957 N/A SER 558.A N SER 554.A O no hydrogen 2.894 N/A SER 558.A OG SER 554.A O no hydrogen 3.392 N/A SER 558.A OG ILE 555.A O no hydrogen 2.637 N/A LEU 559.A N ILE 555.A O no hydrogen 2.877 N/A VAL 560.A N ILE 556.A O no hydrogen 2.923 N/A GLU 561.A N ILE 557.A O no hydrogen 3.090 N/A THR 569.A OG1 PHE 626.A O no hydrogen 3.468 N/A THR 569.A OG1 HIS 627.A O no hydrogen 3.189 N/A ASN 570.A ND2 ASN 530.A O no hydrogen 3.698 N/A LYS 571.A NZ ASN 530.A O no hydrogen 3.289 N/A GLN 572.A N GLN 572.A OE1 no hydrogen 2.652 N/A LYS 574.A NZ ASN 570.A O no hydrogen 2.328 N/A LYS 574.A NZ GLN 572.A OE1 no hydrogen 2.567 N/A ASP 578.A N THR 575.A OG1 no hydrogen 3.135 N/A LYS 579.A N THR 575.A O no hydrogen 3.100 N/A SER 580.A N PRO 576.A O no hydrogen 3.095 N/A THR 582.A N GLU 586.A OE1 no hydrogen 3.214 N/A THR 582.A OG1 VAL 540.A O no hydrogen 3.342 N/A THR 582.A OG1 GLU 586.A OE1 no hydrogen 3.239 N/A GLY 583.A N GLU 586.A OE2 no hydrogen 3.086 N/A GLU 586.A N GLU 586.A OE1 no hydrogen 2.609 N/A LEU 588.A N VAL 584.A O no hydrogen 3.052 N/A LEU 589.A N SER 585.A O no hydrogen 3.152 N/A LYS 590.A N GLU 586.A O no hydrogen 3.080 N/A THR 591.A N ILE 587.A O no hydrogen 3.014 N/A THR 591.A N LEU 588.A O no hydrogen 2.936 N/A THR 591.A OG1 LEU 588.A O no hydrogen 2.298 N/A THR 591.A OG1 GLN 592.A OE1 no hydrogen 2.340 N/A GLN 592.A N LEU 589.A O no hydrogen 2.914 N/A MET 593.A N LEU 589.A O no hydrogen 3.227 N/A CYS 599.A N SER 596.A OG no hydrogen 2.988 N/A CYS 599.A SG HIS 565.A NE2 no hydrogen 3.471 N/A CYS 599.A SG SER 596.A OG no hydrogen 3.103 N/A LEU 600.A N SER 596.A O no hydrogen 3.080 N/A ALA 601.A N LEU 597.A O no hydrogen 2.892 N/A ALA 602.A N LYS 598.A O no hydrogen 2.889 N/A ARG 603.A N CYS 599.A O no hydrogen 2.890 N/A ALA 604.A N LEU 600.A O no hydrogen 2.932 N/A VAL 605.A N ALA 601.A O no hydrogen 2.893 N/A ARG 606.A N ALA 602.A O no hydrogen 2.963 N/A ALA 607.A N ARG 603.A O no hydrogen 2.910 N/A TYR 612.A N GLN 613.A OE1 no hydrogen 3.077 N/A GLN 613.A N ASN 611.A OD1 no hydrogen 2.674 N/A ARG 618.A NE GLU 621.A OE2 no hydrogen 3.442 N/A GLU 621.A N ARG 618.A O no hydrogen 3.204 N/A VAL 624.A N LEU 620.A O no hydrogen 2.632 N/A GLY 625.A N GLU 621.A O no hydrogen 2.785 N/A PHE 626.A N GLU 622.A O no hydrogen 2.959 N/A HIS 627.A N PHE 623.A O no hydrogen 3.336 N/A HIS 627.A ND1 PHE 623.A O no hydrogen 3.328 N/A HIS 627.A NE2 ASP 567.A OD2 no hydrogen 3.085 N/A