Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fni_9.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N LEU 2.A O no hydrogen 2.975 N/A GLU 7.A N LEU 3.A O no hydrogen 2.914 N/A ARG 8.A N PRO 4.A O no hydrogen 2.898 N/A LEU 9.A N THR 5.A O no hydrogen 2.923 N/A LEU 10.A N LEU 6.A O no hydrogen 2.876 N/A GLU 11.A N GLU 7.A O no hydrogen 2.920 N/A ARG 12.A N ARG 8.A O no hydrogen 2.920 N/A CYS 13.A N LEU 9.A O no hydrogen 2.877 N/A CYS 13.A SG LEU 9.A O no hydrogen 3.174 N/A ILE 17.A N ARG 15.A O no hydrogen 2.984 N/A GLU 22.A N ASN 20.A OD1 no hydrogen 3.347 N/A VAL 24.A N ASN 20.A O no hydrogen 3.053 N/A ARG 25.A N VAL 21.A O no hydrogen 2.898 N/A ARG 25.A NE GLU 22.A OE2 no hydrogen 3.148 N/A MET 26.A N GLU 22.A O no hydrogen 2.903 N/A VAL 27.A N ASP 23.A O no hydrogen 2.918 N/A MET 28.A N VAL 24.A O no hydrogen 2.906 N/A ALA 29.A N ARG 25.A O no hydrogen 2.932 N/A SER 30.A N MET 26.A O no hydrogen 2.881 N/A SER 30.A OG MET 26.A O no hydrogen 2.740 N/A LEU 31.A N VAL 27.A O no hydrogen 2.896 N/A LEU 32.A N MET 28.A O no hydrogen 2.897 N/A ASP 33.A N ALA 29.A O no hydrogen 2.928 N/A ILE 34.A N SER 30.A O no hydrogen 2.874 N/A SER 35.A N LEU 31.A O no hydrogen 2.903 N/A SER 35.A OG LEU 32.A O no hydrogen 3.479 N/A TYR 37.A N ILE 34.A O no hydrogen 3.216 N/A SER 42.A N ASP 39.A O no hydrogen 3.324 N/A SER 42.A N ASP 39.A OD1 no hydrogen 3.321 N/A SER 42.A OG GLU 7.A OE2 no hydrogen 2.924 N/A SER 42.A OG ASP 39.A OD1 no hydrogen 3.330 N/A THR 43.A N ARG 40.A O no hydrogen 2.920 N/A THR 43.A OG1 ASP 39.A O no hydrogen 3.319 N/A ILE 46.A N SER 42.A O no hydrogen 3.160 N/A ILE 46.A N THR 43.A O no hydrogen 2.941 N/A ALA 47.A N THR 43.A O no hydrogen 2.951 N/A LYS 48.A N LYS 44.A O no hydrogen 2.849 N/A ARG 51.A N ALA 47.A O no hydrogen 2.771 N/A ARG 52.A N LYS 48.A O no hydrogen 3.242 N/A PHE 53.A N PRO 49.A O no hydrogen 2.765 N/A CYS 54.A N LEU 50.A O no hydrogen 2.520 N/A HIS 55.A N ARG 51.A O no hydrogen 2.524 N/A HIS 55.A ND1 ARG 51.A O no hydrogen 3.160 N/A LYS 56.A N ARG 52.A O no hydrogen 2.476 N/A ASP 57.A N PHE 53.A O no hydrogen 2.503 N/A ASP 59.A N ASP 57.A OD1 no hydrogen 3.325 N/A THR 60.A OG1 ASP 57.A OD2 no hydrogen 2.293 N/A ALA 62.A N ASP 59.A O no hydrogen 3.331 N/A SER 63.A OG THR 60.A O no hydrogen 2.538 N/A VAL 64.A N THR 60.A O no hydrogen 2.922 N/A MET 65.A N VAL 61.A O no hydrogen 2.874 N/A GLU 66.A N ALA 62.A O no hydrogen 2.917 N/A ALA 67.A N SER 63.A O no hydrogen 2.896 N/A VAL 68.A N VAL 64.A O no hydrogen 2.801 N/A HIS 77.A N GLU 74.A O no hydrogen 3.241 N/A HIS 77.A ND1 ASP 71.A O no hydrogen 2.678 N/A GLY 78.A N PRO 75.A O no hydrogen 2.937 N/A ALA 81.A N HIS 77.A O no hydrogen 3.012 N/A ALA 82.A N ARG 79.A O no hydrogen 2.930 N/A MET 83.A N ARG 79.A O no hydrogen 2.762 N/A CYS 87.A N MET 83.A O no hydrogen 2.630 N/A CYS 87.A SG MET 83.A O no hydrogen 3.235 N/A LEU 88.A N LEU 84.A O no hydrogen 2.760 N/A CYS 93.A SG ASP 94.A O no hydrogen 3.900 N/A CYS 93.A SG ASP 94.A OD1 no hydrogen 3.815 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.582 N/A GLU 99.A N GLU 95.A O no hydrogen 2.906 N/A ARG 100.A N VAL 96.A O no hydrogen 2.945 N/A ALA 101.A N ILE 97.A O no hydrogen 2.890 N/A VAL 102.A N TRP 98.A O no hydrogen 2.885 N/A ALA 103.A N GLU 99.A O no hydrogen 2.931 N/A ALA 104.A N ARG 100.A O no hydrogen 2.926 N/A THR 105.A N ALA 101.A O no hydrogen 2.848 N/A THR 105.A OG1 ALA 101.A O no hydrogen 2.695 N/A LEU 106.A N VAL 102.A O no hydrogen 2.907 N/A ALA 107.A N ALA 103.A O no hydrogen 2.927 N/A GLY 108.A N ALA 104.A O no hydrogen 2.897 N/A LEU 109.A N THR 105.A O no hydrogen 2.887 N/A LYS 110.A N LEU 106.A O no hydrogen 2.916 N/A SER 111.A N ALA 107.A O no hydrogen 2.906 N/A SER 111.A OG GLY 108.A O no hydrogen 2.475 N/A ARG 112.A N GLY 108.A O no hydrogen 3.155 N/A LYS 113.A N SER 111.A OG no hydrogen 3.361 N/A TRP 114.A N TYR 119.A OH no hydrogen 3.038 N/A TRP 114.A NE1 GLU 74.A O no hydrogen 2.542 N/A HIS 117.A N ASP 115.A OD2 no hydrogen 3.030 N/A TYR 119.A N ASP 115.A O no hydrogen 2.903 N/A ARG 120.A N LEU 116.A O no hydrogen 2.900 N/A VAL 121.A N HIS 117.A O no hydrogen 2.949 N/A ALA 122.A N ASP 118.A O no hydrogen 2.888 N/A MET 123.A N TYR 119.A O no hydrogen 2.883 N/A ALA 124.A N ARG 120.A O no hydrogen 2.916 N/A HIS 125.A N ALA 122.A O no hydrogen 3.330 N/A HIS 125.A ND1 VAL 121.A O no hydrogen 2.398 N/A ALA 126.A N ALA 122.A O no hydrogen 2.891 N/A GLY 127.A N MET 123.A O no hydrogen 2.905 N/A ARG 128.A N HIS 125.A O no hydrogen 3.181 N/A ARG 131.A NH2 CYS 93.A O no hydrogen 3.285 N/A LEU 136.A N ALA 133.A O no hydrogen 3.081 N/A ALA 139.A N ALA 135.A O no hydrogen 2.587 N/A ALA 140.A N LEU 136.A O no hydrogen 2.382 N/A GLU 141.A N ALA 137.A O no hydrogen 2.356 N/A GLU 142.A N ALA 139.A O no hydrogen 2.936 N/A PHE 143.A N ALA 139.A O no hydrogen 3.052 N/A VAL 144.A N ALA 140.A O no hydrogen 2.873 N/A SER 145.A OG GLU 141.A O no hydrogen 2.541 N/A SER 146.A N GLU 142.A O no hydrogen 3.062 N/A SER 146.A OG GLU 142.A O no hydrogen 3.495 N/A SER 146.A OG PHE 143.A O no hydrogen 2.838 N/A ALA 148.A N SER 145.A O no hydrogen 2.920 N/A SER 152.A N GLU 155.A OE1 no hydrogen 2.752 N/A SER 154.A N SER 152.A OG no hydrogen 3.212 N/A SER 154.A OG SER 152.A OG no hydrogen 3.258 N/A GLU 155.A N SER 152.A O no hydrogen 3.163 N/A LEU 156.A N SER 152.A O no hydrogen 2.813 N/A LEU 159.A N GLU 155.A O no hydrogen 3.366 N/A LEU 160.A N LEU 156.A O no hydrogen 2.913 N/A VAL 161.A N PRO 157.A O no hydrogen 2.905 N/A LEU 163.A N LEU 159.A O no hydrogen 2.888 N/A THR 164.A N LEU 160.A O no hydrogen 2.926 N/A THR 164.A OG1 VAL 161.A O no hydrogen 3.373 N/A SER 165.A N ILE 162.A O no hydrogen 3.081 N/A SER 165.A OG MET 123.A O no hydrogen 3.436 N/A SER 165.A OG VAL 161.A O no hydrogen 2.947 N/A SER 165.A OG ILE 162.A O no hydrogen 2.899 N/A LEU 169.A N LEU 166.A O no hydrogen 3.050 N/A LYS 170.A N PRO 167.A O no hydrogen 2.926 N/A SER 172.A N LEU 169.A O no hydrogen 3.279 N/A CYS 174.A N SER 172.A OG no hydrogen 3.134 N/A CYS 174.A SG GLU 141.A O no hydrogen 3.271 N/A CYS 174.A SG SER 145.A OG no hydrogen 3.217 N/A LEU 175.A N SER 172.A O no hydrogen 3.197 N/A GLN 176.A N GLN 176.A OE1 no hydrogen 2.699 N/A VAL 177.A N PRO 173.A O no hydrogen 2.937 N/A ALA 178.A N CYS 174.A O no hydrogen 2.851 N/A ALA 179.A N LEU 175.A O no hydrogen 2.915 N/A ASP 180.A N GLN 176.A O no hydrogen 2.893 N/A ARG 181.A N VAL 177.A O no hydrogen 2.920 N/A ARG 181.A NE ALA 151.A O no hydrogen 2.256 N/A ARG 181.A NH2 ALA 151.A O no hydrogen 2.981 N/A ILE 182.A N ALA 178.A O no hydrogen 2.867 N/A VAL 183.A N ALA 179.A O no hydrogen 2.921 N/A GLN 184.A N ASP 180.A O no hydrogen 2.920 N/A LEU 185.A N ARG 181.A O no hydrogen 3.030 N/A SER 186.A N VAL 183.A O no hydrogen 3.291 N/A SER 186.A OG ILE 182.A O no hydrogen 3.099 N/A SER 186.A OG VAL 183.A O no hydrogen 3.244 N/A SER 190.A OG GLN 153.A OE1 no hydrogen 2.771 N/A ALA 193.A N SER 190.A O no hydrogen 2.999 N/A ILE 194.A N SER 190.A O no hydrogen 2.604 N/A ILE 197.A N ALA 193.A O no hydrogen 2.920 N/A CYS 198.A N ILE 194.A O no hydrogen 2.914 N/A CYS 198.A SG ILE 194.A O no hydrogen 3.108 N/A ALA 199.A N GLY 195.A O no hydrogen 2.881 N/A SER 200.A N GLN 196.A O no hydrogen 2.906 N/A SER 200.A OG GLN 196.A O no hydrogen 3.012 N/A VAL 201.A N ILE 197.A O no hydrogen 2.913 N/A ASN 202.A N CYS 198.A O no hydrogen 3.098 N/A ALA 212.A N HIS 208.A O no hydrogen 3.340 N/A ILE 213.A N THR 209.A O no hydrogen 2.939 N/A ALA 214.A N ALA 210.A O no hydrogen 2.909 N/A LEU 215.A N MET 211.A O no hydrogen 2.877 N/A GLN 216.A N ALA 212.A O no hydrogen 2.953 N/A GLN 216.A NE2 ALA 245.A O no hydrogen 2.456 N/A GLU 217.A N ALA 214.A O no hydrogen 3.228 N/A PHE 222.A N GLU 218.A O no hydrogen 3.202 N/A ALA 223.A N ILE 220.A O no hydrogen 3.357 N/A GLU 224.A N ARG 221.A O no hydrogen 3.326 N/A GLU 225.A N ARG 221.A O no hydrogen 3.179 N/A SER 226.A OG ASP 227.A O no hydrogen 3.312 N/A SER 230.A OG PRO 191.A O no hydrogen 2.971 N/A ALA 231.A N ASP 227.A O no hydrogen 2.675 N/A VAL 232.A N LEU 228.A O no hydrogen 2.910 N/A GLN 233.A N PHE 229.A O no hydrogen 2.985 N/A LEU 234.A N SER 230.A O no hydrogen 2.888 N/A PHE 235.A N ALA 231.A O no hydrogen 2.880 N/A SER 236.A N VAL 232.A O no hydrogen 2.947 N/A SER 236.A OG VAL 232.A O no hydrogen 3.122 N/A SER 236.A OG GLN 233.A O no hydrogen 2.626 N/A PHE 237.A N GLN 233.A O no hydrogen 2.966 N/A ILE 238.A N LEU 234.A O no hydrogen 2.860 N/A CYS 239.A N PHE 235.A O no hydrogen 2.938 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.046 N/A CYS 239.A SG SER 236.A O no hydrogen 3.110 N/A CYS 239.A SG ALA 275.A O no hydrogen 3.292 N/A GLN 240.A N SER 236.A O no hydrogen 2.951 N/A GLN 241.A N ILE 238.A O no hydrogen 3.110 N/A GLN 241.A NE2 PHE 237.A O no hydrogen 2.688 N/A ILE 246.A N GLU 242.A O no hydrogen 3.272 N/A SER 247.A N GLN 216.A OE1 no hydrogen 3.188 N/A VAL 251.A N SER 247.A O no hydrogen 3.332 N/A LYS 252.A N ASP 249.A O no hydrogen 3.372 N/A CYS 253.A N ALA 250.A O no hydrogen 3.277 N/A ALA 255.A N VAL 251.A O no hydrogen 3.376 N/A GLU 256.A N LYS 252.A O no hydrogen 2.914 N/A ARG 257.A N CYS 253.A O no hydrogen 2.890 N/A ARG 257.A NE SER 226.A O no hydrogen 3.148 N/A ARG 257.A NH1 ARG 257.A O no hydrogen 2.925 N/A ARG 257.A NH2 SER 226.A O no hydrogen 3.513 N/A VAL 258.A N LEU 254.A O no hydrogen 2.918 N/A ILE 259.A N ALA 255.A O no hydrogen 3.247 N/A ILE 259.A N GLU 256.A O no hydrogen 3.279 N/A LEU 264.A N GLU 301.A OE1 no hydrogen 3.113 N/A VAL 269.A N ASP 265.A O no hydrogen 3.278 N/A SER 270.A N GLN 266.A O no hydrogen 2.935 N/A SER 270.A OG GLN 266.A O no hydrogen 3.420 N/A VAL 271.A N GLU 267.A O no hydrogen 2.902 N/A LEU 272.A N THR 268.A O no hydrogen 2.874 N/A CYS 273.A N VAL 269.A O no hydrogen 2.926 N/A CYS 273.A SG VAL 269.A O no hydrogen 3.165 N/A ARG 274.A N SER 270.A O no hydrogen 2.921 N/A ALA 275.A N VAL 271.A O no hydrogen 2.841 N/A LEU 276.A N LEU 272.A O no hydrogen 2.901 N/A ARG 277.A N CYS 273.A O no hydrogen 2.926 N/A ARG 277.A NH1 SER 333.A O no hydrogen 3.151 N/A SER 278.A N ALA 275.A O no hydrogen 3.234 N/A SER 278.A OG ARG 274.A O no hydrogen 2.911 N/A ARG 281.A NE GLU 607.A OE1 no hydrogen 3.303 N/A ARG 281.A NH2 GLU 607.A OE1 no hydrogen 2.775 N/A HIS 283.A N PRO 280.A O no hydrogen 3.146 N/A ARG 284.A N ARG 281.A O no hydrogen 3.098 N/A LEU 287.A N ARG 284.A O no hydrogen 2.898 N/A ILE 291.A N LEU 287.A O no hydrogen 2.961 N/A GLY 292.A N LEU 288.A O no hydrogen 2.872 N/A GLU 293.A N ARG 289.A O no hydrogen 2.927 N/A MET 294.A N GLU 290.A O no hydrogen 2.957 N/A MET 295.A N ILE 291.A O no hydrogen 2.834 N/A GLU 296.A N GLY 292.A O no hydrogen 2.951 N/A LEU 298.A N MET 294.A O no hydrogen 2.935 N/A GLY 299.A N MET 295.A O no hydrogen 2.964 N/A GLU 301.A N PHE 297.A O no hydrogen 2.903 N/A VAL 302.A N LEU 298.A O no hydrogen 2.969 N/A LYS 303.A N GLY 299.A O no hydrogen 2.940 N/A GLU 304.A N GLY 300.A O no hydrogen 2.918 N/A LEU 305.A N GLU 301.A O no hydrogen 2.902 N/A LEU 306.A N VAL 302.A O no hydrogen 2.905 N/A GLU 307.A N LYS 303.A O no hydrogen 2.943 N/A LEU 308.A N GLU 304.A O no hydrogen 2.585 N/A GLY 313.A N VAL 310.A O no hydrogen 2.976 N/A GLY 314.A N PRO 309.A O no hydrogen 2.752 N/A LEU 315.A N LEU 305.A O no hydrogen 3.021 N/A ASP 318.A N LEU 315.A O no hydrogen 3.469 N/A SER 320.A N ASP 318.A OD1 no hydrogen 3.084 N/A ASP 323.A N SER 320.A O no hydrogen 3.155 N/A ILE 324.A N SER 320.A O no hydrogen 3.081 N/A GLN 325.A N ALA 321.A O no hydrogen 2.930 N/A SER 326.A OG GLY 322.A O no hydrogen 3.328 N/A SER 326.A OG ASP 323.A O no hydrogen 2.605 N/A PHE 327.A N ASP 323.A O no hydrogen 2.918 N/A ILE 328.A N ILE 324.A O no hydrogen 2.911 N/A SER 329.A N GLN 325.A O no hydrogen 2.871 N/A SER 329.A OG GLN 325.A O no hydrogen 2.727 N/A LYS 330.A N SER 326.A O no hydrogen 2.913 N/A LYS 330.A NZ SER 326.A O no hydrogen 3.063 N/A PHE 331.A N PHE 327.A O no hydrogen 2.937 N/A LEU 332.A N ILE 328.A O no hydrogen 2.901 N/A SER 333.A N SER 329.A O no hydrogen 2.889 N/A SER 333.A OG SER 329.A O no hydrogen 3.171 N/A SER 333.A OG LYS 330.A O no hydrogen 2.701 N/A LEU 334.A N LYS 330.A O no hydrogen 2.907 N/A ASP 335.A N PHE 331.A O no hydrogen 3.306 N/A GLY 336.A N LEU 332.A O no hydrogen 2.919 N/A LEU 337.A N LEU 334.A O no hydrogen 3.406 N/A LEU 338.A N ASP 335.A O no hydrogen 3.218 N/A HIS 342.A N PRO 339.A O no hydrogen 3.256 N/A THR 347.A OG1 GLY 346.A O no hydrogen 2.414 N/A TYR 348.A N PRO 345.A O no hydrogen 3.444 N/A ILE 352.A N TYR 348.A O no hydrogen 2.954 N/A VAL 353.A N MET 349.A O no hydrogen 2.869 N/A ALA 354.A N ALA 350.A O no hydrogen 2.923 N/A CYS 355.A N ALA 351.A O no hydrogen 2.876 N/A VAL 356.A N ILE 352.A O no hydrogen 2.926 N/A ASP 357.A N VAL 353.A O no hydrogen 2.904 N/A TYR 358.A N ALA 354.A O no hydrogen 2.961 N/A ILE 359.A N CYS 355.A O no hydrogen 2.924 N/A THR 360.A N VAL 356.A O no hydrogen 2.892 N/A THR 360.A OG1 VAL 356.A O no hydrogen 2.856 N/A THR 360.A OG1 ASP 357.A O no hydrogen 2.816 N/A GLU 361.A N ASP 357.A O no hydrogen 2.926 N/A ARG 362.A NH2 LYS 316.A O no hydrogen 2.525 N/A VAL 367.A N LEU 363.A O no hydrogen 3.268 N/A SER 368.A N GLU 364.A O no hydrogen 2.896 N/A SER 368.A OG GLU 364.A O no hydrogen 2.265 N/A ASP 369.A N ILE 366.A O no hydrogen 3.501 N/A ASN 371.A N ASP 369.A OD1 no hydrogen 3.376 N/A PHE 374.A N PRO 372.A O no hydrogen 2.627 N/A ILE 376.A N PRO 373.A O no hydrogen 3.115 N/A ILE 377.A N PHE 374.A O no hydrogen 2.919 N/A LEU 380.A N ILE 376.A O no hydrogen 2.944 N/A LEU 381.A N ILE 377.A O no hydrogen 3.027 N/A ASN 382.A N PRO 378.A O no hydrogen 2.857 N/A ILE 383.A N LEU 380.A O no hydrogen 3.367 N/A MET 385.A N ILE 383.A O no hydrogen 2.844 N/A THR 388.A N MET 385.A O no hydrogen 3.238 N/A THR 388.A OG1 ILE 383.A O no hydrogen 3.084 N/A THR 388.A OG1 MET 385.A O no hydrogen 2.495 N/A ARG 389.A N MET 385.A O no hydrogen 3.402 N/A ARG 390.A N GLU 386.A O no hydrogen 2.921 N/A ARG 390.A NH1 GLU 387.A OE1 no hydrogen 2.333 N/A CYS 391.A N GLU 387.A O no hydrogen 2.879 N/A GLY 392.A N THR 388.A O no hydrogen 2.944 N/A GLN 393.A N ARG 389.A O no hydrogen 2.884 N/A ALA 394.A N ARG 390.A O no hydrogen 2.915 N/A ILE 395.A N CYS 391.A O no hydrogen 2.884 N/A ILE 396.A N GLY 392.A O no hydrogen 2.961 N/A ARG 397.A N GLN 393.A O no hydrogen 2.887 N/A GLU 398.A N ALA 394.A O no hydrogen 2.882 N/A ALA 399.A N ILE 395.A O no hydrogen 2.926 N/A ALA 400.A N ILE 396.A O no hydrogen 2.901 N/A GLU 401.A N ARG 397.A O no hydrogen 2.862 N/A GLN 402.A N GLU 398.A O no hydrogen 2.991 N/A GLN 402.A NE2 GLU 398.A OE1 no hydrogen 2.249 N/A GLY 403.A N ALA 399.A O no hydrogen 2.997 N/A GLY 403.A N ALA 400.A O no hydrogen 2.856 N/A ILE 404.A N ALA 399.A O no hydrogen 3.447 N/A THR 408.A OG1 THR 439.A O no hydrogen 3.319 N/A THR 408.A OG1 THR 439.A OG1 no hydrogen 3.416 N/A VAL 411.A N PRO 407.A O no hydrogen 2.985 N/A PHE 412.A N THR 408.A O no hydrogen 2.912 N/A ARG 413.A N LEU 409.A O no hydrogen 2.912 N/A ARG 413.A NE ILE 598.A O no hydrogen 3.367 N/A PHE 414.A N GLN 410.A O no hydrogen 2.907 N/A LEU 415.A N VAL 411.A O no hydrogen 2.892 N/A LEU 416.A N PHE 412.A O no hydrogen 2.873 N/A ALA 417.A N ARG 413.A O no hydrogen 2.925 N/A LEU 418.A N PHE 414.A O no hydrogen 2.875 N/A GLY 419.A N LEU 415.A O no hydrogen 2.897 N/A ASP 420.A N LEU 416.A O no hydrogen 2.852 N/A HIS 421.A N ALA 417.A O no hydrogen 2.951 N/A ASN 422.A N LEU 418.A O no hydrogen 3.137 N/A VAL 428.A N ASP 425.A OD1 no hydrogen 2.837 N/A TYR 429.A OH PHE 455.A O no hydrogen 2.569 N/A ARG 430.A N GLN 426.A O no hydrogen 2.752 N/A HIS 431.A N ARG 427.A O no hydrogen 2.942 N/A LEU 432.A N VAL 428.A O no hydrogen 2.873 N/A ARG 433.A N TYR 429.A O no hydrogen 2.913 N/A ASN 434.A N ARG 430.A O no hydrogen 2.929 N/A GLU 435.A N HIS 431.A O no hydrogen 2.890 N/A PHE 436.A N LEU 432.A O no hydrogen 2.893 N/A ALA 437.A N ARG 433.A O no hydrogen 2.920 N/A LYS 438.A N ASN 434.A O no hydrogen 2.909 N/A THR 439.A N GLU 435.A O no hydrogen 3.060 N/A THR 439.A OG1 GLU 435.A O no hydrogen 3.241 N/A LEU 448.A N PRO 444.A O no hydrogen 3.023 N/A CYS 449.A N MET 445.A O no hydrogen 2.899 N/A CYS 449.A SG MET 445.A O no hydrogen 3.212 N/A CYS 449.A SG CYS 504.A O no hydrogen 3.169 N/A ALA 450.A N ILE 446.A O no hydrogen 2.903 N/A ALA 451.A N GLN 447.A O no hydrogen 2.910 N/A LEU 452.A N LEU 448.A O no hydrogen 2.896 N/A LYS 453.A N CYS 449.A O no hydrogen 2.892 N/A CYS 454.A N ALA 450.A O no hydrogen 2.924 N/A CYS 454.A SG LEU 415.A O no hydrogen 3.261 N/A CYS 454.A SG ALA 450.A O no hydrogen 3.162 N/A PHE 455.A N ALA 451.A O no hydrogen 2.902 N/A VAL 456.A N LEU 452.A O no hydrogen 2.898 N/A ARG 457.A N LYS 453.A O no hydrogen 2.911 N/A GLY 458.A N CYS 454.A O no hydrogen 3.048 N/A GLY 458.A N PHE 455.A O no hydrogen 3.346 N/A LEU 459.A N VAL 456.A O no hydrogen 3.223 N/A GLN 466.A N GLU 470.A OE2 no hydrogen 3.218 N/A GLN 471.A NE2 SER 467.A O no hydrogen 2.644 N/A GLU 473.A N ASP 469.A O no hydrogen 3.299 N/A HIS 474.A N GLU 470.A O no hydrogen 2.889 N/A GLU 475.A N GLN 471.A O no hydrogen 2.954 N/A LEU 476.A N VAL 472.A O no hydrogen 2.880 N/A GLU 477.A N GLU 473.A O no hydrogen 2.912 N/A LYS 478.A N HIS 474.A O no hydrogen 2.877 N/A GLU 479.A N GLU 475.A O no hydrogen 2.961 N/A MET 481.A N GLU 477.A O no hydrogen 2.948 N/A ASP 482.A N LYS 478.A O no hydrogen 2.868 N/A ALA 483.A N GLU 479.A O no hydrogen 2.913 N/A PHE 484.A N ASP 480.A O no hydrogen 2.978 N/A LEU 485.A N MET 481.A O no hydrogen 2.884 N/A ARG 486.A N ASP 482.A O no hydrogen 2.858 N/A PHE 487.A N ALA 483.A O no hydrogen 2.977 N/A CYS 488.A N PHE 484.A O no hydrogen 2.944 N/A CYS 488.A SG PHE 484.A O no hydrogen 3.276 N/A VAL 489.A N LEU 485.A O no hydrogen 2.856 N/A GLU 490.A N ARG 486.A O no hydrogen 2.982 N/A LEU 492.A N CYS 488.A O no hydrogen 2.934 N/A ARG 493.A N VAL 489.A O no hydrogen 2.861 N/A ARG 493.A NE GLN 525.A OE1 no hydrogen 3.193 N/A ARG 494.A N GLU 490.A O no hydrogen 2.979 N/A ARG 494.A NH2 ILE 443.A O no hydrogen 2.723 N/A GLY 495.A N ASN 491.A O no hydrogen 2.862 N/A PHE 496.A N LEU 492.A O no hydrogen 2.907 N/A ALA 497.A N ARG 493.A O no hydrogen 2.912 N/A ASP 498.A N ARG 494.A O no hydrogen 2.937 N/A GLY 499.A N GLY 495.A O no hydrogen 2.647 N/A MET 500.A N TYR 529.A OH no hydrogen 3.238 N/A VAL 505.A N GLU 501.A O no hydrogen 3.285 N/A MET 506.A N VAL 502.A O no hydrogen 2.935 N/A ALA 507.A N LYS 503.A O no hydrogen 2.939 N/A ALA 508.A N CYS 504.A O no hydrogen 2.899 N/A THR 509.A N VAL 505.A O no hydrogen 2.907 N/A THR 509.A OG1 VAL 505.A O no hydrogen 2.899 N/A THR 509.A OG1 MET 506.A O no hydrogen 2.653 N/A GLU 510.A N MET 506.A O no hydrogen 2.919 N/A SER 511.A N ALA 507.A O no hydrogen 2.943 N/A LEU 512.A N ALA 508.A O no hydrogen 2.887 N/A TYR 513.A N THR 509.A O no hydrogen 2.923 N/A GLN 514.A N GLU 510.A O no hydrogen 2.953 N/A LEU 515.A N SER 511.A O no hydrogen 2.881 N/A GLY 516.A N LEU 512.A O no hydrogen 2.637 N/A THR 520.A OG1 SER 519.A O no hydrogen 2.413 N/A GLN 525.A N GLU 521.A O no hydrogen 3.145 N/A VAL 526.A N PHE 522.A O no hydrogen 2.902 N/A ALA 527.A N TYR 523.A O no hydrogen 2.900 N/A ARG 528.A N GLU 524.A O no hydrogen 2.908 N/A TYR 529.A N GLN 525.A O no hydrogen 2.883 N/A LEU 530.A N VAL 526.A O no hydrogen 2.907 N/A GLY 531.A N ALA 527.A O no hydrogen 2.883 N/A SER 532.A N ARG 528.A O no hydrogen 2.928 N/A SER 532.A OG ARG 528.A O no hydrogen 2.985 N/A LYS 533.A N TYR 529.A O no hydrogen 3.064 N/A LYS 533.A NZ GLU 716.A OE1 no hydrogen 3.497 N/A CYS 534.A N GLY 531.A O no hydrogen 3.466 N/A CYS 534.A SG ASP 564.A O no hydrogen 3.533 N/A SER 540.A N SER 538.A OG no hydrogen 3.239 N/A SER 543.A OG THR 546.A OG1 no hydrogen 3.343 N/A SER 544.A N LEU 577.A O no hydrogen 2.958 N/A SER 544.A OG LEU 577.A O no hydrogen 2.777 N/A THR 546.A OG1 SER 543.A OG no hydrogen 3.343 N/A ALA 547.A N SER 543.A O no hydrogen 2.972 N/A THR 548.A N SER 544.A O no hydrogen 2.907 N/A THR 548.A OG1 GLU 545.A O no hydrogen 2.658 N/A ALA 549.A N GLU 545.A O no hydrogen 2.967 N/A VAL 550.A N THR 546.A O no hydrogen 2.870 N/A CYS 551.A N ALA 547.A O no hydrogen 2.909 N/A CYS 551.A SG HIS 566.A ND1 no hydrogen 3.625 N/A LEU 552.A N THR 548.A O no hydrogen 2.945 N/A ALA 553.A N ALA 549.A O no hydrogen 2.851 N/A LEU 554.A N VAL 550.A O no hydrogen 2.859 N/A GLU 556.A N GLU 556.A OE1 no hydrogen 2.742 N/A LEU 559.A N GLY 555.A O no hydrogen 3.175 N/A ASP 560.A N GLU 556.A O no hydrogen 2.890 N/A ARG 561.A N ASP 557.A O no hydrogen 2.937 N/A ARG 561.A NH2 ASP 557.A OD2 no hydrogen 3.290 N/A HIS 562.A N ILE 558.A O no hydrogen 3.051 N/A HIS 562.A ND1 ILE 558.A O no hydrogen 3.051 N/A VAL 565.A N ASP 564.A OD1 no hydrogen 2.795 N/A THR 567.A N PRO 563.A O no hydrogen 2.926 N/A THR 567.A OG1 ASP 564.A O no hydrogen 2.567 N/A PHE 568.A N ASP 564.A O no hydrogen 2.900 N/A LEU 569.A N VAL 565.A O no hydrogen 2.902 N/A LEU 570.A N HIS 566.A O no hydrogen 2.900 N/A GLU 571.A N THR 567.A O no hydrogen 2.909 N/A VAL 572.A N PHE 568.A O no hydrogen 2.912 N/A GLU 573.A N LEU 569.A O no hydrogen 2.911 N/A LYS 574.A N LEU 570.A O no hydrogen 2.910 N/A SER 575.A N GLU 571.A O no hydrogen 2.732 N/A SER 575.A OG GLU 571.A O no hydrogen 2.883 N/A SER 575.A OG GLU 571.A OE2 no hydrogen 2.977 N/A LEU 577.A N ASN 542.A O no hydrogen 3.167 N/A SER 582.A OG GLY 579.A O no hydrogen 3.491 N/A SER 584.A OG GLU 587.A OE2 no hydrogen 2.924 N/A TRP 588.A N SER 584.A O no hydrogen 2.763 N/A MET 589.A N PRO 585.A O no hydrogen 2.899 N/A ASN 590.A N THR 586.A O no hydrogen 2.908 N/A LYS 591.A N GLU 587.A O no hydrogen 2.913 N/A ASN 592.A N TRP 588.A O no hydrogen 2.880 N/A ASP 593.A N MET 589.A O no hydrogen 2.764 N/A ASN 596.A ND2 ASN 590.A OD1 no hydrogen 3.145 N/A GLN 606.A N THR 602.A O no hydrogen 3.022 N/A GLN 606.A NE2 ASN 610.A OD1 no hydrogen 2.459 N/A GLU 607.A N GLU 603.A O no hydrogen 2.903 N/A GLY 608.A N ILE 604.A O no hydrogen 2.914 N/A TRP 609.A N GLN 605.A O no hydrogen 2.913 N/A ASN 610.A N GLN 606.A O no hydrogen 2.888 N/A ILE 611.A N GLU 607.A O no hydrogen 2.927 N/A ILE 612.A N GLY 608.A O no hydrogen 2.907 N/A ASN 613.A N TRP 609.A O no hydrogen 2.902 N/A ARG 614.A N ASN 610.A O no hydrogen 2.922 N/A MET 615.A N ILE 611.A O no hydrogen 2.894 N/A VAL 616.A N ILE 612.A O no hydrogen 2.917 N/A GLU 617.A N ASN 613.A O no hydrogen 2.934 N/A THR 618.A N ARG 614.A O no hydrogen 3.093 N/A THR 618.A OG1 ARG 614.A O no hydrogen 2.874 N/A THR 627.A N THR 623.A O no hydrogen 2.889 N/A THR 627.A OG1 THR 623.A O no hydrogen 2.998 N/A ALA 628.A N GLU 624.A O no hydrogen 2.930 N/A LEU 629.A N LYS 625.A O no hydrogen 2.909 N/A ALA 630.A N LEU 626.A O no hydrogen 2.893 N/A ASN 631.A N THR 627.A O no hydrogen 2.912 N/A GLU 632.A N ALA 628.A O no hydrogen 2.914 N/A TYR 633.A N LEU 629.A O no hydrogen 2.902 N/A VAL 634.A N ALA 630.A O no hydrogen 2.933 N/A ALA 635.A N ASN 631.A O no hydrogen 3.267 N/A ILE 636.A N TYR 633.A O no hydrogen 3.058 N/A LEU 637.A N VAL 634.A O no hydrogen 3.501 N/A SER 639.A N ILE 636.A O no hydrogen 3.193 N/A ARG 641.A NE ASP 644.A OD1 no hydrogen 2.859 N/A ARG 641.A NE ASP 644.A OD2 no hydrogen 3.170 N/A ARG 641.A NH2 ASP 644.A OD1 no hydrogen 2.588 N/A LEU 645.A N VAL 642.A O no hydrogen 3.360 N/A LYS 646.A N ASP 643.A O no hydrogen 2.906 N/A TYR 647.A N ASP 644.A O no hydrogen 2.913 N/A PHE 648.A N ASP 644.A O no hydrogen 3.229 N/A PHE 649.A N LEU 645.A O no hydrogen 2.841 N/A VAL 651.A N TYR 647.A O no hydrogen 3.218 N/A VAL 651.A N PHE 648.A O no hydrogen 2.956 N/A GLU 653.A N PHE 649.A O no hydrogen 3.125 N/A GLU 654.A N GLY 650.A O no hydrogen 2.922 N/A LYS 655.A N VAL 651.A O no hydrogen 2.915 N/A LYS 655.A NZ VAL 616.A O no hydrogen 2.776 N/A LYS 655.A NZ THR 618.A O no hydrogen 2.850 N/A PHE 657.A N PHE 652.A O no hydrogen 3.200 N/A LYS 658.A NZ ASP 660.A OD1 no hydrogen 3.344 N/A LYS 658.A NZ ARG 695.A O no hydrogen 3.200 N/A LYS 658.A NZ THR 697.A OG1 no hydrogen 3.316 N/A ARG 661.A NE TYR 698.A OH no hydrogen 3.270 N/A ARG 661.A NH2 TYR 698.A OH no hydrogen 2.526 N/A LYS 664.A N ASP 660.A O no hydrogen 2.868 N/A GLN 665.A N ARG 661.A O no hydrogen 2.922 N/A CYS 666.A N ILE 662.A O no hydrogen 2.965 N/A CYS 666.A SG ILE 662.A O no hydrogen 3.253 N/A LEU 667.A N LEU 663.A O no hydrogen 2.871 N/A ASP 668.A N LYS 664.A O no hydrogen 2.869 N/A TYR 669.A N GLN 665.A O no hydrogen 2.946 N/A LEU 670.A N CYS 666.A O no hydrogen 2.919 N/A VAL 671.A N LEU 667.A O no hydrogen 2.889 N/A GLU 672.A N ASP 668.A O no hydrogen 2.904 N/A SER 673.A N TYR 669.A O no hydrogen 3.077 N/A ASN 674.A N VAL 671.A O no hydrogen 3.231 N/A ALA 675.A N LEU 670.A O no hydrogen 3.446 N/A LYS 678.A N ALA 675.A O no hydrogen 3.434 N/A LYS 678.A NZ LYS 591.A O no hydrogen 3.185 N/A SER 683.A OG ASP 643.A OD1 no hydrogen 3.503 N/A ILE 684.A N SER 680.A O no hydrogen 2.863 N/A GLY 685.A N ALA 681.A O no hydrogen 2.921 N/A ALA 686.A N THR 682.A O no hydrogen 2.878 N/A MET 687.A N SER 683.A O no hydrogen 2.925 N/A LEU 688.A N ILE 684.A O no hydrogen 2.936 N/A ASN 689.A N GLY 685.A O no hydrogen 2.872 N/A SER 690.A N ALA 686.A O no hydrogen 2.899 N/A SER 690.A OG GLU 653.A OE1 no hydrogen 3.254 N/A SER 690.A OG ALA 686.A O no hydrogen 2.638 N/A LEU 691.A N MET 687.A O no hydrogen 2.932 N/A ALA 692.A N LEU 688.A O no hydrogen 2.898 N/A ALA 693.A N ASN 689.A O no hydrogen 2.882 N/A ARG 695.A N ALA 692.A O no hydrogen 3.216 N/A THR 697.A N ASP 660.A OD2 no hydrogen 3.277 N/A THR 697.A OG1 ASP 660.A OD2 no hydrogen 2.280 N/A LYS 703.A N HIS 699.A O no hydrogen 2.884 N/A GLN 704.A N ARG 700.A O no hydrogen 2.925 N/A PHE 705.A N SER 701.A O no hydrogen 2.894 N/A MET 706.A N VAL 702.A O no hydrogen 2.903 N/A ILE 707.A N LYS 703.A O no hydrogen 2.908 N/A ALA 708.A N GLN 704.A O no hydrogen 2.911 N/A GLN 713.A NE2 ALA 676.A O no hydrogen 3.144 N/A SER 715.A N GLU 712.A O no hydrogen 3.265 N/A SER 715.A OG THR 711.A O no hydrogen 3.237 N/A SER 715.A OG GLU 712.A O no hydrogen 2.326 N/A SER 715.A OG GLU 716.A OE1 no hydrogen 2.754 N/A LEU 722.A N ASP 718.A O no hydrogen 3.235 N/A VAL 723.A N ALA 719.A O no hydrogen 2.912 N/A LYS 724.A N SER 720.A O no hydrogen 2.926 N/A ILE 725.A N PRO 721.A O no hydrogen 2.890 N/A VAL 726.A N LEU 722.A O no hydrogen 2.955 N/A SER 727.A N VAL 723.A O no hydrogen 2.890 N/A ALA 728.A N LYS 724.A O no hydrogen 2.916 N/A MET 729.A N ILE 725.A O no hydrogen 2.900 N/A ALA 730.A N VAL 726.A O no hydrogen 2.903 N/A LYS 731.A N SER 727.A O no hydrogen 2.912 N/A LEU 732.A N ALA 728.A O no hydrogen 3.171 N/A SER 733.A N ALA 730.A O no hydrogen 3.209 N/A SER 733.A OG LEU 732.A O no hydrogen 2.460 N/A LEU 734.A N MET 729.A O no hydrogen 3.092 N/A LEU 740.A N LEU 736.A O no hydrogen 3.308 N/A VAL 743.A N VAL 739.A O no hydrogen 2.956 N/A GLY 744.A N LEU 740.A O no hydrogen 2.823 N/A ASP 745.A N VAL 741.A O no hydrogen 2.958 N/A ARG 746.A N HIS 742.A O no hydrogen 2.961 N/A ARG 746.A NE MET 717.A O no hydrogen 2.920 N/A ARG 746.A NH1 ASP 749.A OD2 no hydrogen 3.391 N/A ARG 746.A NH2 MET 717.A O no hydrogen 3.089 N/A LEU 747.A N VAL 743.A O no hydrogen 2.876 N/A LEU 748.A N GLY 744.A O no hydrogen 2.886 N/A ASP 749.A N ASP 745.A O no hydrogen 2.946 N/A VAL 750.A N ARG 746.A O no hydrogen 2.932 N/A LEU 754.A N TYR 751.A O no hydrogen 3.104 N/A ASP 758.A N SER 755.A OG no hydrogen 3.296 N/A THR 759.A N SER 755.A O no hydrogen 2.819 N/A THR 759.A OG1 SER 755.A O no hydrogen 3.400 N/A ALA 760.A N PRO 756.A O no hydrogen 2.934 N/A LEU 761.A N LEU 757.A O no hydrogen 2.903 N/A VAL 762.A N ASP 758.A O no hydrogen 2.878 N/A ILE 763.A N THR 759.A O no hydrogen 2.914 N/A ASN 764.A N ALA 760.A O no hydrogen 2.959 N/A ASN 764.A ND2 LEU 798.A O no hydrogen 3.360 N/A SER 765.A N LEU 761.A O no hydrogen 2.870 N/A SER 765.A OG LEU 761.A O no hydrogen 2.705 N/A SER 765.A OG VAL 762.A O no hydrogen 2.924 N/A LEU 766.A N VAL 762.A O no hydrogen 2.887 N/A GLN 767.A N ILE 763.A O no hydrogen 2.946 N/A SER 768.A N ASN 764.A O no hydrogen 2.908 N/A SER 768.A OG ASN 764.A O no hydrogen 2.663 N/A ILE 769.A N SER 765.A O no hydrogen 3.219 N/A GLY 770.A N GLN 767.A O no hydrogen 3.077 N/A TYR 771.A N LEU 766.A O no hydrogen 3.041 N/A GLU 775.A N ASN 773.A OD1 no hydrogen 3.172 N/A MET 778.A N ASP 774.A O no hydrogen 2.825 N/A MET 779.A N GLU 775.A O no hydrogen 2.912 N/A LEU 780.A N VAL 776.A O no hydrogen 2.899 N/A MET 781.A N LEU 777.A O no hydrogen 2.927 N/A ARG 782.A N MET 778.A O no hydrogen 2.883 N/A HIS 783.A N MET 779.A O no hydrogen 2.914 N/A ALA 784.A N LEU 780.A O no hydrogen 2.915 N/A ALA 785.A N MET 781.A O no hydrogen 2.882 N/A SER 786.A N ARG 782.A O no hydrogen 2.922 N/A SER 786.A OG ARG 782.A O no hydrogen 3.017 N/A SER 787.A N HIS 783.A O no hydrogen 3.203 N/A SER 787.A OG HIS 783.A O no hydrogen 3.323 N/A ALA 788.A N ALA 785.A O no hydrogen 3.354 N/A ARG 789.A NH2 SER 786.A O no hydrogen 3.037 N/A ARG 790.A N SER 787.A O no hydrogen 3.503 N/A TRP 791.A N ALA 788.A O no hydrogen 3.402 N/A THR 797.A N GLU 793.A O no hydrogen 2.948 N/A THR 797.A OG1 VAL 794.A O no hydrogen 2.481 N/A LEU 798.A N VAL 794.A O no hydrogen 2.887 N/A LEU 799.A N SER 795.A O no hydrogen 2.912 N/A PHE 800.A N LEU 796.A O no hydrogen 2.914 N/A GLY 801.A N THR 797.A O no hydrogen 2.961 N/A ALA 802.A N LEU 799.A O no hydrogen 3.107 N/A LEU 808.A N VAL 805.A O no hydrogen 2.988 N/A LEU 809.A N VAL 805.A O no hydrogen 3.369 N/A ARG 810.A N LEU 808.A O no hydrogen 2.700 N/A ALA 815.A N VAL 812.A O no hydrogen 3.305 N/A ALA 816.A N VAL 812.A O no hydrogen 2.907 N/A LEU 819.A N ALA 815.A O no hydrogen 3.233 N/A GLU 820.A N ALA 816.A O no hydrogen 2.954 N/A GLN 821.A N PRO 817.A O no hydrogen 2.901 N/A GLN 821.A NE2 ALA 788.A O no hydrogen 2.704 N/A ALA 822.A N LEU 818.A O no hydrogen 2.901 N/A ALA 823.A N LEU 819.A O no hydrogen 2.908 N/A GLY 824.A N GLU 820.A O no hydrogen 2.917 N/A LYS 825.A N GLN 821.A O no hydrogen 2.902 N/A LYS 825.A NZ TRP 791.A O no hydrogen 3.246 N/A THR 826.A N ALA 822.A O no hydrogen 2.881 N/A THR 826.A OG1 GLU 793.A OE1 no hydrogen 3.347 N/A SER 827.A OG LYS 825.A O no hydrogen 2.946 N/A ARG 832.A N SER 828.A O no hydrogen 3.096 N/A ARG 832.A NE LEU 856.A O no hydrogen 2.790 N/A ARG 832.A NH1 ALA 823.A O no hydrogen 3.566 N/A ARG 832.A NH2 LEU 855.A O no hydrogen 3.482 N/A ARG 832.A NH2 LEU 856.A O no hydrogen 3.332 N/A GLN 833.A N PRO 829.A O no hydrogen 2.917 N/A GLN 833.A NE2 PRO 829.A O no hydrogen 3.677 N/A GLN 833.A NE2 THR 857.A OG1 no hydrogen 3.424 N/A ARG 834.A N HIS 830.A O no hydrogen 2.924 N/A ILE 835.A N LEU 831.A O no hydrogen 2.876 N/A ALA 836.A N ARG 832.A O no hydrogen 2.901 N/A ALA 837.A N GLN 833.A O no hydrogen 2.928 N/A SER 838.A N ARG 834.A O no hydrogen 2.911 N/A SER 838.A OG ARG 834.A O no hydrogen 2.977 N/A LEU 839.A N ILE 835.A O no hydrogen 2.871 N/A ARG 840.A N ALA 836.A O no hydrogen 2.913 N/A ARG 841.A N ALA 837.A O no hydrogen 2.936 N/A SER 842.A N LEU 839.A O no hydrogen 3.231 N/A VAL 849.A N PRO 845.A O no hydrogen 3.168 N/A GLN 850.A N ARG 846.A O no hydrogen 2.899 N/A SER 851.A N ALA 847.A O no hydrogen 2.927 N/A SER 851.A OG ALA 847.A O no hydrogen 3.305 N/A SER 851.A OG LEU 848.A O no hydrogen 2.806 N/A SER 852.A N LEU 848.A O no hydrogen 2.889 N/A SER 852.A OG LEU 848.A O no hydrogen 3.143 N/A THR 853.A N VAL 849.A O no hydrogen 2.898 N/A THR 853.A OG1 VAL 849.A O no hydrogen 2.690 N/A THR 853.A OG1 GLN 850.A O no hydrogen 2.642 N/A SER 854.A N GLN 850.A O no hydrogen 2.920 N/A LEU 855.A N SER 851.A O no hydrogen 2.925 N/A LEU 856.A N SER 852.A O no hydrogen 2.891 N/A THR 857.A N THR 853.A O no hydrogen 3.009 N/A THR 857.A OG1 GLN 833.A OE1 no hydrogen 3.542 N/A