Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8hma_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 SER 3.A O no hydrogen 2.585 N/A ILE 7.A N SER 3.A O no hydrogen 3.178 N/A LYS 8.A N ALA 4.A O no hydrogen 2.897 N/A SER 9.A N VAL 5.A O no hydrogen 2.899 N/A SER 9.A OG VAL 5.A O no hydrogen 2.929 N/A TRP 10.A N THR 6.A O no hydrogen 2.885 N/A VAL 11.A N ILE 7.A O no hydrogen 2.892 N/A ASP 12.A N LYS 8.A O no hydrogen 2.877 N/A LYS 13.A N SER 9.A O no hydrogen 2.908 N/A MET 14.A N TRP 10.A O no hydrogen 2.915 N/A GLN 15.A N VAL 11.A O no hydrogen 2.861 N/A GLN 15.A NE2 MET 858.A O no hydrogen 3.407 N/A GLU 16.A N ASP 12.A O no hydrogen 2.890 N/A ASP 17.A N LYS 13.A O no hydrogen 2.912 N/A LEU 18.A N MET 14.A O no hydrogen 2.920 N/A VAL 19.A N GLN 15.A O no hydrogen 2.906 N/A THR 20.A N GLU 16.A O no hydrogen 2.883 N/A THR 20.A OG1 GLU 16.A O no hydrogen 2.341 N/A THR 20.A OG1 ASP 17.A O no hydrogen 2.808 N/A LEU 21.A N ASP 17.A O no hydrogen 2.924 N/A ALA 22.A N LEU 18.A O no hydrogen 2.912 N/A LYS 23.A N VAL 19.A O no hydrogen 2.876 N/A THR 24.A N THR 20.A O no hydrogen 2.902 N/A THR 24.A OG1 THR 20.A O no hydrogen 2.595 N/A THR 24.A OG1 LEU 21.A O no hydrogen 3.181 N/A ALA 25.A N LEU 21.A O no hydrogen 2.911 N/A SER 26.A N ALA 22.A O no hydrogen 3.072 N/A GLY 27.A N LYS 23.A O no hydrogen 2.625 N/A LEU 31.A N GLY 27.A O no hydrogen 3.175 N/A VAL 32.A N VAL 28.A O no hydrogen 2.920 N/A ASP 33.A N ASN 29.A O no hydrogen 2.884 N/A ILE 34.A N GLN 30.A O no hydrogen 2.910 N/A TYR 35.A N LEU 31.A O no hydrogen 2.910 N/A GLU 36.A N VAL 32.A O no hydrogen 2.885 N/A LYS 37.A N ASP 33.A O no hydrogen 2.901 N/A TYR 38.A OH GLU 648.A OE1 no hydrogen 3.402 N/A GLN 39.A NE2 GLU 36.A O no hydrogen 2.569 N/A TYR 42.A OH TYR 35.A O no hydrogen 3.195 N/A THR 43.A OG1 LYS 573.A O no hydrogen 3.161 N/A ASN 47.A N PHE 569.A O no hydrogen 2.500 N/A ASN 47.A ND2 THR 459.A O no hydrogen 3.698 N/A ASN 47.A ND2 SER 568.A O no hydrogen 3.040 N/A ARG 50.A NH1 SER 524.A OG no hydrogen 3.004 N/A GLU 54.A N ARG 50.A O no hydrogen 2.904 N/A ILE 55.A N GLN 51.A O no hydrogen 2.865 N/A ALA 56.A N LEU 52.A O no hydrogen 2.924 N/A ALA 57.A N VAL 53.A O no hydrogen 2.897 N/A ARG 58.A N GLU 54.A O no hydrogen 2.899 N/A ARG 58.A NH2 GLU 54.A OE2 no hydrogen 3.460 N/A ASP 59.A N ILE 55.A O no hydrogen 2.894 N/A ILE 60.A N ALA 56.A O no hydrogen 2.953 N/A GLU 61.A N ALA 57.A O no hydrogen 2.897 N/A LYS 62.A N ARG 58.A O no hydrogen 2.879 N/A LEU 63.A N ASP 59.A O no hydrogen 2.949 N/A LEU 64.A N ILE 60.A O no hydrogen 2.951 N/A SER 65.A N GLU 61.A O no hydrogen 2.865 N/A ASN 66.A N LYS 62.A O no hydrogen 2.878 N/A ARG 67.A N LEU 63.A O no hydrogen 3.020 N/A SER 68.A N LEU 64.A O no hydrogen 2.876 N/A LYS 69.A N SER 65.A O no hydrogen 2.867 N/A ALA 70.A N ASN 66.A O no hydrogen 2.992 N/A LEU 71.A N ARG 67.A O no hydrogen 2.924 N/A VAL 72.A N SER 68.A O no hydrogen 2.869 N/A ARG 73.A N LYS 69.A O no hydrogen 2.988 N/A LEU 74.A N ALA 70.A O no hydrogen 2.945 N/A ALA 75.A N LEU 71.A O no hydrogen 2.882 N/A LEU 76.A N VAL 72.A O no hydrogen 2.955 N/A GLU 77.A N ARG 73.A O no hydrogen 2.965 N/A ALA 78.A N LEU 74.A O no hydrogen 2.908 N/A GLU 79.A N ALA 75.A O no hydrogen 2.931 N/A LYS 80.A N LEU 76.A O no hydrogen 2.945 N/A VAL 81.A N GLU 77.A O no hydrogen 2.923 N/A GLN 82.A N ALA 78.A O no hydrogen 2.919 N/A GLN 82.A NE2 THR 424.A OG1 no hydrogen 3.171 N/A ALA 83.A N GLU 79.A O no hydrogen 2.941 N/A ALA 83.A N LYS 80.A O no hydrogen 3.233 N/A ALA 84.A N VAL 81.A O no hydrogen 3.333 N/A HIS 85.A NE2 ASN 142.A OD1 no hydrogen 2.935 N/A ARG 88.A NH1 ASN 94.A O no hydrogen 3.486 N/A ARG 88.A NH2 SER 93.A O no hydrogen 2.934 N/A TYR 98.A N GLN 104.A O no hydrogen 3.453 N/A ASN 100.A ND2 GLU 135.A OE2 no hydrogen 3.435 N/A ALA 101.A N VAL 127.A O no hydrogen 2.656 N/A LYS 102.A N ASN 100.A OD1 no hydrogen 3.097 N/A LYS 102.A NZ ILE 129.A O no hydrogen 3.160 N/A LYS 102.A NZ ASP 188.A OD2 no hydrogen 3.302 N/A ASP 103.A N ALA 101.A O no hydrogen 2.861 N/A ARG 105.A NE TYR 98.A OH no hydrogen 3.546 N/A ARG 105.A NE GLU 135.A OE2 no hydrogen 2.424 N/A ILE 111.A N ILE 120.A O no hydrogen 2.822 N/A ASP 113.A N ILE 111.A O no hydrogen 2.626 N/A ASN 115.A N ASP 113.A OD1 no hydrogen 3.020 N/A ARG 118.A NE SER 182.A OG no hydrogen 3.059 N/A ARG 118.A NH2 PRO 183.A O no hydrogen 3.145 N/A ILE 120.A N ILE 111.A O no hydrogen 3.097 N/A TYR 122.A OH ASP 113.A OD2 no hydrogen 3.132 N/A GLN 123.A N SER 121.A OG no hydrogen 3.353 N/A ALA 125.A N ASP 151.A OD2 no hydrogen 3.182 N/A VAL 127.A N TYR 99.A O no hydrogen 3.012 N/A HIS 128.A N ALA 176.A O no hydrogen 3.143 N/A HIS 128.A NE2 ASP 188.A OD2 no hydrogen 2.538 N/A ILE 133.A N PRO 130.A O no hydrogen 2.874 N/A VAL 140.A N SER 137.A OG no hydrogen 2.956 N/A LEU 141.A N SER 137.A O no hydrogen 2.936 N/A ASN 142.A N THR 138.A O no hydrogen 3.400 N/A ASN 142.A ND2 ARG 88.A O no hydrogen 3.004 N/A ASN 142.A ND2 THR 138.A O no hydrogen 2.953 N/A GLU 143.A N ILE 139.A O no hydrogen 3.316 N/A LEU 144.A N VAL 140.A O no hydrogen 2.917 N/A ASN 145.A N LEU 141.A O no hydrogen 2.888 N/A TRP 146.A N ASN 142.A O no hydrogen 2.960 N/A TRP 146.A NE1 GLU 143.A OE1 no hydrogen 2.424 N/A THR 147.A N GLU 143.A O no hydrogen 2.920 N/A THR 147.A OG1 GLU 143.A O no hydrogen 2.383 N/A THR 147.A OG1 LEU 144.A O no hydrogen 3.032 N/A SER 148.A N LEU 144.A O no hydrogen 2.919 N/A SER 148.A N ASN 145.A O no hydrogen 3.181 N/A LEU 150.A N THR 147.A O no hydrogen 2.764 N/A PHE 154.A N LEU 150.A O no hydrogen 2.943 N/A LYS 155.A N ASP 151.A O no hydrogen 2.898 N/A LYS 155.A NZ GLN 123.A O no hydrogen 3.483 N/A LYS 156.A N GLU 152.A O no hydrogen 2.902 N/A ASN 157.A N VAL 153.A O no hydrogen 2.921 N/A ARG 158.A N PHE 154.A O no hydrogen 2.952 N/A GLU 159.A N LYS 155.A O no hydrogen 2.872 N/A GLU 159.A N LYS 156.A O no hydrogen 3.270 N/A GLU 160.A N LYS 156.A O no hydrogen 2.918 N/A SER 163.A OG PRO 162.A O no hydrogen 2.302 N/A VAL 168.A N GLY 443.A O no hydrogen 2.942 N/A SER 171.A N PHE 169.A O no hydrogen 2.764 N/A SER 171.A OG GLU 143.A OE1 no hydrogen 3.362 N/A ALA 172.A N LEU 439.A O no hydrogen 2.464 N/A ARG 177.A NE ASP 151.A OD1 no hydrogen 3.150 N/A ARG 177.A NH2 ASP 151.A OD1 no hydrogen 3.406 N/A ARG 177.A NH2 ASP 151.A OD2 no hydrogen 3.153 N/A TYR 178.A OH SER 182.A O no hydrogen 2.892 N/A TYR 179.A N GLN 167.A O no hydrogen 3.235 N/A TYR 179.A OH TYR 122.A O no hydrogen 2.953 N/A SER 182.A OG GLN 119.A O no hydrogen 2.881 N/A SER 182.A OG PRO 183.A O no hydrogen 3.566 N/A TRP 184.A NE1 ASP 188.A OD1 no hydrogen 3.020 N/A TYR 190.A N ASP 188.A OD1 no hydrogen 3.253 N/A ARG 193.A N ASP 191.A OD1 no hydrogen 2.999 N/A ARG 193.A NE ASP 191.A OD1 no hydrogen 3.204 N/A ARG 193.A NH2 ASP 191.A OD2 no hydrogen 3.192 N/A ARG 194.A N ASP 191.A O no hydrogen 2.996 N/A ARG 194.A NH1 THR 377.A OG1 no hydrogen 3.097 N/A ARG 195.A N VAL 192.A O no hydrogen 3.179 N/A TYR 198.A N ARG 195.A O no hydrogen 2.877 N/A ILE 199.A N ARG 195.A O no hydrogen 3.199 N/A GLN 200.A N PRO 196.A O no hydrogen 3.093 N/A GLY 201.A N TYR 198.A O no hydrogen 3.106 N/A ALA 202.A N TYR 198.A O no hydrogen 2.951 N/A LYS 206.A NZ SER 204.A O no hydrogen 3.336 N/A ASP 207.A N ASN 309.A O no hydrogen 2.833 N/A MET 208.A N PHE 242.A O no hydrogen 3.010 N/A ILE 210.A N ASN 244.A O no hydrogen 2.985 N/A LEU 211.A N MET 313.A O no hydrogen 3.423 N/A VAL 212.A N ALA 246.A O no hydrogen 3.261 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 3.202 N/A SER 215.A OG THR 285.A OG1 no hydrogen 2.615 N/A GLY 216.A N GLY 283.A O no hydrogen 3.223 N/A SER 217.A N SER 215.A OG no hydrogen 3.393 N/A SER 217.A OG SER 215.A OG no hydrogen 2.753 N/A SER 217.A OG ASP 317.A OD2 no hydrogen 3.038 N/A VAL 218.A N SER 215.A O no hydrogen 3.019 N/A LEU 223.A N GLY 220.A O no hydrogen 3.264 N/A LYS 224.A N GLY 220.A O no hydrogen 3.489 N/A LEU 225.A N LEU 221.A O no hydrogen 2.932 N/A ILE 226.A N THR 222.A O no hydrogen 2.880 N/A ARG 227.A N LEU 223.A O no hydrogen 2.913 N/A THR 228.A N LYS 224.A O no hydrogen 2.960 N/A THR 228.A OG1 LYS 224.A O no hydrogen 3.115 N/A SER 229.A N LEU 225.A O no hydrogen 2.879 N/A VAL 230.A N ILE 226.A O no hydrogen 2.902 N/A SER 231.A N ARG 227.A O no hydrogen 2.954 N/A GLU 232.A N THR 228.A O no hydrogen 2.939 N/A MET 233.A N SER 229.A O no hydrogen 2.872 N/A LEU 234.A N VAL 230.A O no hydrogen 2.932 N/A GLU 235.A N SER 231.A O no hydrogen 2.919 N/A THR 236.A N MET 233.A O no hydrogen 2.667 N/A THR 236.A OG1 MET 233.A O no hydrogen 2.603 N/A PHE 242.A N LYS 206.A O no hydrogen 3.263 N/A VAL 245.A N ASN 244.A OD1 no hydrogen 2.462 N/A ALA 246.A N ILE 210.A O no hydrogen 2.914 N/A SER 247.A N GLN 253.A O no hydrogen 3.266 N/A ASN 249.A N ASN 251.A O no hydrogen 3.316 N/A SER 250.A OG ASN 249.A O no hydrogen 2.421 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.769 N/A VAL 262.A N VAL 243.A O no hydrogen 3.213 N/A VAL 266.A N ASN 265.A OD1 no hydrogen 2.783 N/A ARG 267.A NH2 ASP 883.A OD1 no hydrogen 3.145 N/A LYS 269.A N ASN 265.A O no hydrogen 3.177 N/A LYS 269.A NZ LEU 237.A O no hydrogen 2.350 N/A LYS 269.A NZ GLU 496.A OE2 no hydrogen 3.088 N/A LYS 270.A NZ ASP 274.A OD1 no hydrogen 3.176 N/A LYS 270.A NZ ASP 274.A OD2 no hydrogen 2.742 N/A VAL 271.A N ARG 267.A O no hydrogen 3.194 N/A LEU 272.A N ASN 268.A O no hydrogen 2.941 N/A LYS 273.A N LYS 269.A O no hydrogen 2.865 N/A ASP 274.A N LYS 270.A O no hydrogen 2.930 N/A ALA 275.A N VAL 271.A O no hydrogen 2.926 N/A VAL 276.A N LEU 272.A O no hydrogen 2.883 N/A ASN 277.A N LYS 273.A O no hydrogen 2.887 N/A ASN 278.A N ASP 274.A O no hydrogen 2.952 N/A THR 285.A OG1 SER 215.A OG no hydrogen 2.615 N/A TYR 287.A OH THR 316.A OG1 no hydrogen 2.788 N/A LYS 288.A NZ GLU 321.A OE2 no hydrogen 3.494 N/A LYS 289.A N ASP 286.A OD1 no hydrogen 3.285 N/A LYS 289.A NZ SER 250.A O no hydrogen 3.004 N/A GLY 290.A N ASP 286.A O no hydrogen 3.219 N/A PHE 291.A N TYR 287.A O no hydrogen 2.784 N/A SER 292.A N LYS 288.A O no hydrogen 2.927 N/A SER 292.A OG TYR 330.A OH no hydrogen 3.273 N/A PHE 293.A N LYS 289.A O no hydrogen 2.922 N/A ALA 294.A N GLY 290.A O no hydrogen 2.900 N/A PHE 295.A N PHE 291.A O no hydrogen 2.894 N/A GLU 296.A N SER 292.A O no hydrogen 2.917 N/A GLN 297.A N PHE 293.A O no hydrogen 2.937 N/A LEU 298.A N ALA 294.A O no hydrogen 3.176 N/A LEU 299.A N GLU 296.A O no hydrogen 3.157 N/A ASN 300.A N GLN 297.A O no hydrogen 3.266 N/A SER 304.A OG VAL 303.A O no hydrogen 2.528 N/A CYS 308.A N ALA 306.A O no hydrogen 2.556 N/A CYS 308.A SG CYS 903.A O no hydrogen 3.042 N/A CYS 308.A SG ASP 905.A OD1 no hydrogen 3.137 N/A ASN 309.A ND2 PRO 205.A O no hydrogen 3.095 N/A LYS 310.A NZ ASN 307.A OD1 no hydrogen 3.290 N/A ILE 311.A N ASP 207.A O no hydrogen 3.153 N/A ILE 312.A N ARG 337.A O no hydrogen 3.019 N/A MET 313.A N LEU 209.A O no hydrogen 3.087 N/A LEU 314.A N PHE 339.A O no hydrogen 2.915 N/A PHE 315.A N LEU 211.A O no hydrogen 3.178 N/A THR 316.A N PHE 341.A O no hydrogen 3.085 N/A THR 316.A OG1 ASP 213.A OD2 no hydrogen 2.370 N/A THR 316.A OG1 TYR 287.A OH no hydrogen 2.788 N/A THR 316.A OG1 ASP 317.A OD1 no hydrogen 3.304 N/A GLY 318.A N ASP 317.A OD1 no hydrogen 2.327 N/A GLN 324.A N ARG 322.A O no hydrogen 2.637 N/A PHE 327.A N ALA 323.A O no hydrogen 3.039 N/A ASN 328.A N GLN 324.A O no hydrogen 2.937 N/A ASN 328.A ND2 GLN 324.A O no hydrogen 3.247 N/A LYS 329.A N GLU 325.A O no hydrogen 2.865 N/A LYS 329.A NZ TYR 330.A OH no hydrogen 3.276 N/A TYR 330.A N ILE 326.A O no hydrogen 2.909 N/A TYR 330.A OH SER 292.A OG no hydrogen 3.273 N/A ASN 331.A ND2 VAL 336.A O no hydrogen 3.580 N/A LYS 332.A NZ ASN 328.A OD1 no hydrogen 3.419 N/A LYS 334.A N ASN 331.A O no hydrogen 3.307 N/A VAL 336.A N ASN 331.A OD1 no hydrogen 3.127 N/A ARG 337.A N LYS 310.A O no hydrogen 3.250 N/A ARG 337.A NH1 GLU 910.A OE2 no hydrogen 3.436 N/A ARG 337.A NH2 GLU 910.A OE2 no hydrogen 2.597 N/A THR 340.A OG1 ILE 353.A O no hydrogen 3.436 N/A PHE 341.A N LEU 314.A O no hydrogen 2.837 N/A SER 342.A N TYR 365.A O no hydrogen 3.497 N/A SER 342.A OG ASP 317.A O no hydrogen 2.899 N/A SER 342.A OG HIS 346.A NE2 no hydrogen 3.392 N/A VAL 343.A N THR 316.A O no hydrogen 3.006 N/A GLY 344.A N ILE 367.A O no hydrogen 3.004 N/A TYR 348.A N HIS 346.A ND1 no hydrogen 3.277 N/A GLY 351.A N ASP 349.A OD1 no hydrogen 2.528 N/A GLN 354.A N ARG 350.A O no hydrogen 3.054 N/A TRP 355.A N GLY 351.A O no hydrogen 2.901 N/A MET 356.A N PRO 352.A O no hydrogen 2.874 N/A ALA 357.A N ILE 353.A O no hydrogen 2.957 N/A CYS 358.A N GLN 354.A O no hydrogen 2.870 N/A CYS 358.A SG GLN 354.A O no hydrogen 2.864 N/A GLU 359.A N TRP 355.A O no hydrogen 2.912 N/A GLY 362.A N ASN 360.A O no hydrogen 2.625 N/A TYR 364.A OH GLU 366.A OE2 no hydrogen 2.450 N/A TYR 365.A N THR 340.A O no hydrogen 3.216 N/A SER 369.A OG PRO 368.A O no hydrogen 2.373 N/A ALA 372.A N SER 369.A O no hydrogen 3.078 N/A ARG 374.A NH1 ASP 132.A OD2 no hydrogen 2.477 N/A ARG 374.A NH2 ASP 132.A OD1 no hydrogen 3.488 N/A ARG 374.A NH2 ASP 191.A OD2 no hydrogen 2.732 N/A ASN 376.A N ILE 373.A O no hydrogen 3.163 N/A ASN 376.A ND2 ALA 372.A O no hydrogen 2.719 N/A THR 377.A N ILE 373.A O no hydrogen 2.933 N/A THR 377.A OG1 ILE 373.A O no hydrogen 2.934 N/A GLN 378.A NE2 ASP 191.A OD2 no hydrogen 3.351 N/A GLN 378.A NE2 ARG 374.A O no hydrogen 2.598 N/A GLU 379.A N ASN 376.A O no hydrogen 2.893 N/A ASP 382.A N GLU 379.A O no hydrogen 2.928 N/A LEU 384.A N TYR 380.A O no hydrogen 2.928 N/A GLY 385.A N LEU 381.A O no hydrogen 3.071 N/A GLY 385.A N ASP 382.A O no hydrogen 3.361 N/A ARG 386.A N VAL 383.A O no hydrogen 3.029 N/A VAL 389.A N GLY 385.A O no hydrogen 3.012 N/A LEU 390.A N ARG 386.A O no hydrogen 2.904 N/A ALA 391.A N PRO 387.A O no hydrogen 2.915 N/A LYS 396.A N ASP 393.A O no hydrogen 3.337 N/A LYS 396.A NZ GLU 79.A OE2 no hydrogen 2.684 N/A LYS 396.A NZ PRO 419.A O no hydrogen 2.513 N/A GLN 397.A N ALA 395.A O no hydrogen 2.877 N/A GLN 399.A N THR 417.A O no hydrogen 3.117 N/A THR 401.A N THR 415.A O no hydrogen 3.124 N/A THR 401.A OG1 ASN 402.A O no hydrogen 3.506 N/A THR 401.A OG1 THR 415.A O no hydrogen 3.457 N/A TYR 404.A OH THR 415.A OG1 no hydrogen 2.813 N/A ASP 406.A N GLY 411.A O no hydrogen 3.195 N/A LEU 408.A N ASP 406.A OD1 no hydrogen 3.392 N/A VAL 413.A N TYR 404.A O no hydrogen 3.379 N/A ILE 414.A N VAL 446.A O no hydrogen 2.767 N/A THR 415.A N THR 401.A OG1 no hydrogen 3.274 N/A THR 415.A OG1 TYR 404.A OH no hydrogen 2.813 N/A THR 415.A OG1 ASP 445.A OD1 no hydrogen 3.473 N/A GLY 416.A N VAL 444.A O no hydrogen 2.741 N/A THR 417.A OG1 GLN 399.A O no hydrogen 2.910 N/A VAL 420.A N GLY 440.A O no hydrogen 3.173 N/A PHE 421.A N GLU 79.A OE2 no hydrogen 2.542 N/A THR 424.A OG1 ASN 422.A OD1 no hydrogen 3.177 N/A GLU 428.A N GLY 425.A O no hydrogen 3.095 N/A ASN 435.A ND2 THR 424.A O no hydrogen 3.036 N/A LEU 439.A N VAL 420.A O no hydrogen 3.131 N/A VAL 444.A N GLY 416.A O no hydrogen 2.865 N/A ASP 445.A N TRP 166.A O no hydrogen 3.421 N/A VAL 446.A N ILE 414.A O no hydrogen 2.897 N/A SER 447.A OG LEU 412.A O no hydrogen 3.542 N/A LEU 448.A N LEU 412.A O no hydrogen 2.827 N/A GLU 449.A N SER 447.A OG no hydrogen 3.228 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.934 N/A ASP 450.A N SER 447.A O no hydrogen 2.578 N/A ILE 451.A N SER 447.A O no hydrogen 3.158 N/A LYS 452.A N LEU 448.A O no hydrogen 2.903 N/A ARG 453.A NH1 ASP 450.A OD1 no hydrogen 3.257 N/A LEU 454.A N ILE 451.A O no hydrogen 2.922 N/A THR 455.A N LYS 452.A O no hydrogen 3.473 N/A THR 455.A OG1 LYS 452.A O no hydrogen 3.378 N/A THR 455.A OG1 THR 455.A O no hydrogen 2.444 N/A LEU 460.A N ARG 457.A O no hydrogen 3.051 N/A ASN 463.A ND2 LYS 699.A O no hydrogen 3.639 N/A GLY 464.A N CYS 461.A O no hydrogen 3.000 N/A TYR 465.A N VAL 563.A O no hydrogen 3.343 N/A TYR 465.A OH GLU 506.A OE2 no hydrogen 2.866 N/A ALA 468.A N LEU 476.A O no hydrogen 2.987 N/A ASP 470.A N TYR 474.A O no hydrogen 2.724 N/A GLY 473.A N ASP 470.A O no hydrogen 2.927 N/A VAL 475.A N LEU 500.A O no hydrogen 2.796 N/A HIS 478.A NE2 GLU 506.A OE2 no hydrogen 2.559 N/A ASN 480.A N HIS 478.A ND1 no hydrogen 3.166 N/A ASN 480.A ND2 ALA 505.A O no hydrogen 2.755 N/A LEU 481.A N HIS 478.A O no hydrogen 3.094 N/A GLN 482.A N GLN 815.A OE1 no hydrogen 2.853 N/A LYS 484.A N GLN 482.A O no hydrogen 2.691 N/A GLY 487.A N TYR 814.A O no hydrogen 2.876 N/A LEU 503.A N ASP 501.A OD1 no hydrogen 3.402 N/A ASP 504.A N ASP 501.A O no hydrogen 2.799 N/A ALA 505.A N ASP 501.A O no hydrogen 3.131 N/A ALA 505.A N PHE 502.A O no hydrogen 3.394 N/A ILE 511.A N ASN 509.A OD1 no hydrogen 2.917 N/A LYS 512.A N ASN 509.A OD1 no hydrogen 2.730 N/A LYS 512.A NZ GLU 506.A OE1 no hydrogen 2.625 N/A LYS 512.A NZ TYR 548.A OH no hydrogen 2.879 N/A ILE 515.A N ILE 511.A O no hydrogen 3.267 N/A ARG 516.A N LYS 512.A O no hydrogen 2.896 N/A ARG 516.A NE ASP 501.A OD1 no hydrogen 3.159 N/A ARG 516.A NH1 TYR 896.A O no hydrogen 2.696 N/A ARG 516.A NH2 ASP 501.A OD1 no hydrogen 3.231 N/A ARG 516.A NH2 ASP 501.A OD2 no hydrogen 3.141 N/A ASN 517.A N VAL 513.A O no hydrogen 2.902 N/A LYS 518.A N GLU 514.A O no hydrogen 2.913 N/A MET 519.A N ILE 515.A O no hydrogen 2.917 N/A ILE 520.A N ARG 516.A O no hydrogen 3.143 N/A ASP 521.A N ASN 517.A O no hydrogen 3.409 N/A GLY 522.A N MET 519.A O no hydrogen 2.816 N/A SER 524.A OG TRP 550.A O no hydrogen 3.398 N/A LYS 527.A N TYR 548.A O no hydrogen 3.354 N/A THR 531.A N GLY 544.A O no hydrogen 2.979 N/A VAL 533.A N ASP 542.A O no hydrogen 3.214 N/A LYS 534.A NZ GLN 827.A OE1 no hydrogen 3.441 N/A SER 535.A N TYR 540.A O no hydrogen 3.096 N/A SER 535.A OG TYR 540.A O no hydrogen 3.498 N/A GLN 536.A NE2 GLU 694.A OE1 no hydrogen 2.830 N/A GLU 538.A N SER 535.A O no hydrogen 3.046 N/A ARG 539.A NH1 ASP 537.A OD2 no hydrogen 3.377 N/A ARG 539.A NH1 TYR 540.A OH no hydrogen 3.536 N/A ARG 539.A NH2 ALA 711.A O no hydrogen 3.154 N/A GLY 544.A N THR 531.A O no hydrogen 3.127 N/A ARG 546.A N PHE 529.A O no hydrogen 3.294 N/A ARG 546.A NH1 ASN 545.A O no hydrogen 3.518 N/A ARG 546.A NH1 ASP 703.A OD1 no hydrogen 3.152 N/A THR 547.A N LEU 564.A O no hydrogen 3.005 N/A THR 547.A OG1 THR 547.A O no hydrogen 2.414 N/A THR 547.A OG1 LEU 564.A O no hydrogen 2.820 N/A THR 549.A OG1 TYR 548.A O no hydrogen 2.562 N/A THR 551.A N LEU 560.A O no hydrogen 3.029 N/A VAL 553.A N TYR 558.A O no hydrogen 3.377 N/A THR 556.A N VAL 553.A O no hydrogen 3.165 N/A THR 556.A OG1 ASP 557.A OD1 no hydrogen 2.756 N/A ASP 557.A N THR 556.A OG1 no hydrogen 2.509 N/A TYR 558.A OH ASP 470.A OD1 no hydrogen 3.238 N/A SER 559.A OG MET 519.A O no hydrogen 2.527 N/A ALA 561.A N PHE 467.A O no hydrogen 2.550 N/A VAL 563.A N TYR 465.A O no hydrogen 3.007 N/A SER 568.A N PRO 565.A O no hydrogen 3.124 N/A SER 568.A OG PRO 565.A O no hydrogen 2.927 N/A TYR 571.A N GLU 45.A O no hydrogen 3.375 N/A LYS 573.A NZ THR 43.A OG1 no hydrogen 3.315 N/A LYS 575.A NZ TYR 42.A O no hydrogen 3.562 N/A THR 579.A OG1 GLU 577.A O no hydrogen 3.433 N/A ALA 583.A N ILE 580.A O no hydrogen 2.876 N/A ARG 584.A N ILE 580.A O no hydrogen 3.366 N/A TYR 585.A N THR 581.A O no hydrogen 2.946 N/A SER 586.A N GLN 582.A O no hydrogen 2.848 N/A SER 586.A OG GLN 582.A O no hydrogen 2.748 N/A GLU 587.A N ALA 583.A O no hydrogen 2.983 N/A GLU 587.A N GLU 587.A OE1 no hydrogen 2.680 N/A THR 588.A N TYR 585.A O no hydrogen 3.227 N/A ASN 593.A N LYS 590.A O no hydrogen 3.373 N/A GLU 596.A N ASN 593.A O no hydrogen 3.262 N/A SER 597.A N PHE 594.A O no hydrogen 3.093 N/A SER 597.A OG ASN 647.A OD1 no hydrogen 3.372 N/A GLY 598.A N PHE 594.A O no hydrogen 2.691 N/A THR 600.A OG1 GLY 598.A O no hydrogen 3.325 N/A PHE 601.A N THR 675.A O no hydrogen 2.691 N/A ARG 605.A N ALA 603.A O no hydrogen 2.706 N/A ARG 605.A NE GLY 672.A O no hydrogen 2.967 N/A ARG 605.A NH2 THR 692.A OG1 no hydrogen 3.132 N/A TYR 607.A N ARG 605.A O no hydrogen 2.903 N/A TYR 607.A OH ALA 603.A O no hydrogen 2.875 N/A ASP 610.A N TYR 607.A O no hydrogen 3.350 N/A LYS 612.A NZ PRO 604.A O no hydrogen 2.723 N/A LYS 612.A NZ ASP 606.A OD1 no hydrogen 2.529 N/A ASN 617.A ND2 ILE 602.A O no hydrogen 3.311 N/A THR 618.A N ASN 616.A OD1 no hydrogen 3.089 N/A THR 618.A OG1 ASN 616.A OD1 no hydrogen 2.409 N/A THR 618.A OG1 GLU 619.A OE1 no hydrogen 3.229 N/A LEU 621.A N ASN 617.A O no hydrogen 2.893 N/A LEU 622.A N THR 618.A O no hydrogen 2.967 N/A ASN 623.A N GLU 619.A O no hydrogen 2.859 N/A PHE 624.A N PHE 620.A O no hydrogen 2.865 N/A ASN 625.A N LEU 621.A O no hydrogen 2.904 N/A GLU 626.A N LEU 622.A O no hydrogen 2.940 N/A PHE 627.A N ASN 623.A O no hydrogen 2.868 N/A ILE 628.A N PHE 624.A O no hydrogen 2.899 N/A ASP 629.A N ASN 625.A O no hydrogen 2.909 N/A ARG 630.A N GLU 626.A O no hydrogen 2.920 N/A ARG 630.A NH2 GLU 626.A OE2 no hydrogen 3.396 N/A LYS 631.A N PHE 627.A O no hydrogen 2.904 N/A LEU 635.A N ASN 632.A OD1 no hydrogen 3.094 N/A ASN 637.A N ALA 633.A O no hydrogen 3.051 N/A ARG 638.A N ASP 634.A O no hydrogen 2.867 N/A ARG 638.A NE ASP 671.A OD2 no hydrogen 3.420 N/A ARG 638.A NH2 ASP 671.A OD1 no hydrogen 3.046 N/A ARG 638.A NH2 ASP 671.A OD2 no hydrogen 3.138 N/A VAL 639.A N LEU 635.A O no hydrogen 2.937 N/A LEU 640.A N ILE 636.A O no hydrogen 2.911 N/A LEU 641.A N ASN 637.A O no hydrogen 2.910 N/A ASP 642.A N ARG 638.A O no hydrogen 2.911 N/A ALA 643.A N VAL 639.A O no hydrogen 2.900 N/A GLY 644.A N LEU 640.A O no hydrogen 2.903 N/A PHE 645.A N LEU 641.A O no hydrogen 2.956 N/A THR 646.A N ASP 642.A O no hydrogen 2.914 N/A THR 646.A OG1 ASP 642.A O no hydrogen 3.029 N/A ASN 647.A N ALA 643.A O no hydrogen 2.899 N/A ASN 647.A ND2 THR 588.A OG1 no hydrogen 2.705 N/A GLU 648.A N GLY 644.A O no hydrogen 2.892 N/A LEU 649.A N PHE 645.A O no hydrogen 2.946 N/A VAL 650.A N THR 646.A O no hydrogen 2.936 N/A GLN 651.A N ASN 647.A O no hydrogen 2.909 N/A GLN 651.A NE2 GLU 596.A O no hydrogen 2.263 N/A ASN 652.A N GLU 648.A O no hydrogen 2.895 N/A TYR 653.A N LEU 649.A O no hydrogen 2.971 N/A SER 655.A N VAL 650.A O no hydrogen 2.692 N/A LYS 656.A N TYR 653.A O no hydrogen 2.542 N/A LYS 656.A NZ ASN 652.A O no hydrogen 2.785 N/A GLN 657.A N TYR 653.A O no hydrogen 3.221 N/A LYS 658.A NZ SER 655.A O no hydrogen 3.463 N/A VAL 663.A N ILE 660.A O no hydrogen 3.452 N/A LYS 664.A N LYS 749.A O no hydrogen 3.246 N/A LYS 664.A NZ TYR 722.A O no hydrogen 3.342 N/A ARG 666.A NH2 TRP 654.A O no hydrogen 3.459 N/A PHE 667.A N GLY 747.A O no hydrogen 2.948 N/A VAL 668.A N ARG 676.A O no hydrogen 2.996 N/A VAL 669.A N VAL 745.A O no hydrogen 2.676 N/A THR 670.A N ILE 674.A O no hydrogen 3.025 N/A THR 670.A OG1 ASP 671.A O no hydrogen 2.892 N/A THR 670.A OG1 ILE 674.A O no hydrogen 3.376 N/A ARG 676.A N VAL 668.A O no hydrogen 3.033 N/A ARG 676.A NE THR 600.A OG1 no hydrogen 2.580 N/A ARG 676.A NH1 ALA 643.A O no hydrogen 2.818 N/A VAL 677.A N TYR 599.A O no hydrogen 3.014 N/A TYR 678.A N ARG 666.A O no hydrogen 2.982 N/A GLU 684.A N GLU 681.A O no hydrogen 3.346 N/A GLU 684.A N GLU 684.A OE1 no hydrogen 2.448 N/A ASN 685.A N ALA 682.A O no hydrogen 2.774 N/A TRP 686.A N GLY 683.A O no hydrogen 3.128 N/A GLU 691.A N ASN 689.A OD1 no hydrogen 2.382 N/A TYR 693.A OH LEU 460.A O no hydrogen 2.620 N/A ASP 695.A N THR 692.A O no hydrogen 3.102 N/A TYR 698.A OH PRO 743.A O no hydrogen 2.367 N/A LYS 699.A N ASP 695.A O no hydrogen 3.272 N/A LYS 699.A NZ GLN 536.A OE1 no hydrogen 3.173 N/A ARG 700.A N SER 696.A O no hydrogen 2.953 N/A ARG 700.A NH2 PHE 709.A O no hydrogen 3.509 N/A SER 701.A N PHE 697.A O no hydrogen 2.486 N/A SER 701.A OG PHE 697.A O no hydrogen 2.510 N/A SER 701.A OG SER 729.A OG no hydrogen 2.521 N/A LEU 702.A N TYR 698.A O no hydrogen 2.922 N/A ASP 703.A N LYS 699.A O no hydrogen 2.910 N/A ASN 704.A N ARG 700.A O no hydrogen 3.132 N/A VAL 708.A N SER 729.A O no hydrogen 3.155 N/A THR 710.A N MET 727.A O no hydrogen 3.167 N/A ALA 711.A N TYR 540.A OH no hydrogen 3.393 N/A GLY 720.A N GLU 723.A OE2 no hydrogen 3.211 N/A ALA 721.A N SER 724.A OG no hydrogen 3.163 N/A VAL 728.A N ILE 748.A O no hydrogen 2.810 N/A SER 729.A OG SER 701.A OG no hydrogen 2.521 N/A LYS 730.A N VAL 746.A O no hydrogen 3.262 N/A LYS 730.A NZ ALA 731.A O no hydrogen 3.471 N/A VAL 732.A N ALA 744.A O no hydrogen 3.044 N/A GLU 733.A N ALA 731.A O no hydrogen 3.144 N/A LEU 741.A N ILE 734.A O no hydrogen 2.998 N/A LYS 742.A NZ LEU 702.A O no hydrogen 3.458 N/A LYS 742.A NZ ASN 704.A O no hydrogen 3.442 N/A VAL 745.A N VAL 669.A O no hydrogen 2.524 N/A GLY 747.A N PHE 667.A O no hydrogen 2.820 N/A ILE 748.A N VAL 728.A O no hydrogen 3.156 N/A LYS 749.A N ALA 665.A O no hydrogen 3.011 N/A LYS 749.A NZ ASN 685.A O no hydrogen 3.498 N/A ASP 751.A N GLY 662.A O no hydrogen 3.154 N/A SER 754.A OG ASP 751.A O no hydrogen 3.394 N/A SER 754.A OG ASP 751.A OD1 no hydrogen 2.289 N/A ILE 756.A N VAL 752.A O no hydrogen 2.884 N/A GLU 757.A N ASN 753.A O no hydrogen 2.906 N/A ASN 758.A N SER 754.A O no hydrogen 2.951 N/A PHE 759.A N TRP 755.A O no hydrogen 2.902 N/A THR 760.A N ILE 756.A O no hydrogen 2.882 N/A THR 760.A OG1 ILE 756.A O no hydrogen 2.996 N/A LYS 761.A N GLU 757.A O no hydrogen 2.925 N/A THR 762.A N PHE 759.A O no hydrogen 3.037 N/A THR 762.A OG1 PHE 759.A O no hydrogen 2.841 N/A VAL 765.A N ILE 865.A O no hydrogen 2.860 N/A ILE 766.A N MET 775.A O no hydrogen 2.857 N/A LEU 767.A N ILE 863.A O no hydrogen 2.836 N/A GLY 771.A N ASP 768.A O no hydrogen 2.837 N/A PHE 772.A N ASP 768.A OD1 no hydrogen 3.209 N/A LEU 773.A N ARG 787.A O no hydrogen 3.282 N/A LEU 774.A N ILE 766.A O no hydrogen 3.257 N/A ASN 777.A N CYS 764.A O no hydrogen 2.576 N/A THR 782.A N HIS 778.A O no hydrogen 3.300 N/A ASN 783.A N ASP 779.A O no hydrogen 2.903 N/A GLN 784.A N ASP 780.A O no hydrogen 3.247 N/A GLN 784.A NE2 ASP 780.A O no hydrogen 3.439 N/A GLY 786.A N LEU 773.A O no hydrogen 2.912 N/A ARG 787.A NH1 GLN 784.A OE1 no hydrogen 3.543 N/A GLU 791.A N PHE 788.A O no hydrogen 3.339 N/A LEU 796.A N ASP 793.A O no hydrogen 3.026 N/A ARG 798.A N PRO 794.A O no hydrogen 2.898 N/A ARG 798.A NE ARG 873.A O no hydrogen 2.626 N/A ARG 798.A NH2 ARG 873.A O no hydrogen 2.393 N/A HIS 799.A N SER 795.A O no hydrogen 2.929 N/A LEU 800.A N LEU 796.A O no hydrogen 2.876 N/A VAL 801.A N MET 797.A O no hydrogen 2.569 N/A ASN 802.A N HIS 799.A O no hydrogen 2.986 N/A ILE 803.A N LEU 800.A O no hydrogen 3.128 N/A SER 804.A OG SER 804.A O no hydrogen 2.467 N/A SER 811.A N ASN 809.A O no hydrogen 2.884 N/A ASP 813.A N THR 825.A O no hydrogen 2.834 N/A CYS 818.A N GLN 821.A O no hydrogen 2.754 N/A CYS 818.A SG THR 881.A OG1 no hydrogen 3.306 N/A CYS 823.A N SER 816.A O no hydrogen 2.889 N/A THR 825.A N ASP 813.A O no hydrogen 3.116 N/A THR 825.A OG1 ASP 813.A O no hydrogen 3.229 N/A THR 825.A OG1 GLU 879.A OE1 no hydrogen 3.543 N/A GLU 826.A N GLN 880.A O no hydrogen 3.327 N/A GLN 827.A NE2 GLU 879.A OE1 no hydrogen 3.087 N/A LYS 837.A NZ ASP 835.A O no hydrogen 3.230 N/A PHE 839.A N GLY 854.A O no hydrogen 2.908 N/A GLY 841.A N PHE 852.A O no hydrogen 3.371 N/A LEU 843.A N ARG 850.A O no hydrogen 3.287 N/A CYS 848.A SG SER 849.A O no hydrogen 3.446 N/A HIS 853.A ND1 PHE 839.A O no hydrogen 2.662 N/A GLY 854.A N PHE 839.A O no hydrogen 2.499 N/A GLU 855.A N PHE 864.A O no hydrogen 2.898 N/A LYS 856.A NZ ASN 834.A O no hydrogen 2.418 N/A LYS 856.A NZ SER 836.A O no hydrogen 3.500 N/A LEU 857.A N LEU 862.A O no hydrogen 3.036 N/A THR 860.A OG1 ASN 859.A O no hydrogen 2.420 N/A ASN 861.A N TYR 707.A O no hydrogen 3.138 N/A ASN 861.A ND2 ASP 769.A OD1 no hydrogen 2.561 N/A ILE 863.A N LEU 767.A O no hydrogen 2.610 N/A PHE 864.A N GLU 855.A O no hydrogen 2.773 N/A ILE 865.A N VAL 765.A O no hydrogen 3.064 N/A LYS 870.A NZ TYR 781.A OH no hydrogen 3.393 N/A ARG 873.A N THR 872.A OG1 no hydrogen 2.605 N/A LEU 875.A N GLY 790.A O no hydrogen 3.062 N/A SER 882.A N ILE 824.A O no hydrogen 3.037 N/A SER 882.A OG GLU 826.A OE1 no hydrogen 2.786 N/A ASN 886.A ND2 ASP 889.A OD2 no hydrogen 3.401 N/A CYS 888.A N ASN 886.A OD1 no hydrogen 3.327 N/A CYS 888.A SG ASN 886.A OD1 no hydrogen 3.461 N/A ASP 889.A N ASN 886.A O no hydrogen 2.981 N/A MET 890.A N ASN 886.A O no hydrogen 3.405 N/A VAL 891.A N PRO 887.A O no hydrogen 3.342 N/A LYS 892.A NZ ASP 889.A O no hydrogen 2.644 N/A GLN 893.A N MET 890.A O no hydrogen 3.320 N/A ARG 895.A NH2 ASP 504.A OD2 no hydrogen 3.356 N/A TYR 896.A OH ASP 521.A OD1 no hydrogen 2.633 N/A ARG 897.A NH1 ASN 472.A OD1 no hydrogen 2.834 N/A CYS 903.A SG VAL 902.A O no hydrogen 3.171 N/A CYS 903.A SG CYS 903.A O no hydrogen 2.658 N/A GLU 910.A N VAL 908.A O no hydrogen 2.665 N/A THR 913.A N ASP 911.A OD1 no hydrogen 2.781 N/A THR 913.A OG1 ASP 911.A OD1 no hydrogen 2.361 N/A CYS 915.A SG ASP 914.A O no hydrogen 2.647 N/A