Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ajt_CE.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ALA 16.A O no hydrogen 2.904 N/A TYR 2.A N THR 84.A O no hydrogen 2.862 N/A VAL 3.A N LEU 14.A O no hydrogen 2.862 N/A LEU 4.A N ILE 86.A O no hydrogen 2.930 N/A THR 7.A N GLY 10.A O no hydrogen 2.895 N/A SER 8.A OG SER 138.A OG no hydrogen 2.946 N/A GLY 10.A N THR 7.A O no hydrogen 2.912 N/A TYR 11.A N SER 46.A O no hydrogen 2.907 N/A ALA 12.A N THR 5.A O no hydrogen 2.925 N/A LEU 13.A N ALA 44.A O no hydrogen 2.923 N/A LEU 14.A N VAL 3.A O no hydrogen 2.882 N/A LYS 15.A NZ SER 17.A OG no hydrogen 2.278 N/A ALA 16.A N ALA 1.A O no hydrogen 2.845 N/A LYS 19.A NZ TYR 21.A OH no hydrogen 3.429 N/A SER 23.A N LYS 19.A O no hydrogen 2.867 N/A SER 23.A OG LYS 19.A O no hydrogen 2.217 N/A SER 24.A N ILE 20.A O no hydrogen 2.983 N/A SER 24.A OG ILE 20.A O no hydrogen 3.389 N/A SER 24.A OG TYR 21.A O no hydrogen 2.545 N/A SER 25.A N TYR 21.A O no hydrogen 2.903 N/A SER 25.A OG TYR 21.A O no hydrogen 2.802 N/A SER 25.A OG LYS 22.A O no hydrogen 2.883 N/A LEU 26.A N LYS 22.A O no hydrogen 2.873 N/A ILE 27.A N SER 23.A O no hydrogen 2.957 N/A GLN 28.A N SER 24.A O no hydrogen 2.931 N/A ASP 29.A N SER 25.A O no hydrogen 2.879 N/A ASP 29.A N LEU 26.A O no hydrogen 3.220 N/A LEU 30.A N ILE 27.A O no hydrogen 3.024 N/A LYS 35.A N SER 33.A OG no hydrogen 3.158 N/A LYS 35.A NZ ASP 31.A OD1 no hydrogen 2.572 N/A LEU 37.A N SER 33.A O no hydrogen 2.993 N/A LYS 38.A N ASP 34.A O no hydrogen 2.842 N/A LYS 38.A NZ ASP 34.A OD1 no hydrogen 2.546 N/A GLU 39.A N LYS 35.A O no hydrogen 2.901 N/A PHE 40.A N VAL 36.A O no hydrogen 2.895 N/A ALA 43.A N LEU 13.A O no hydrogen 2.928 N/A ALA 44.A N LEU 13.A O no hydrogen 2.853 N/A SER 46.A N TYR 11.A O no hydrogen 2.877 N/A SER 50.A OG SER 50.A O no hydrogen 2.345 N/A ALA 51.A N ASN 49.A O no hydrogen 2.613 N/A ALA 51.A N ASN 49.A OD1 no hydrogen 3.291 N/A LEU 55.A N ALA 51.A O no hydrogen 2.891 N/A GLU 56.A N ALA 52.A O no hydrogen 2.840 N/A GLU 57.A N ASN 53.A O no hydrogen 2.931 N/A ALA 58.A N ALA 54.A O no hydrogen 2.825 N/A ASN 59.A N LEU 55.A O no hydrogen 2.898 N/A SER 60.A N GLU 56.A O no hydrogen 2.939 N/A SER 60.A OG GLU 56.A O no hydrogen 3.159 N/A ILE 61.A N GLU 57.A O no hydrogen 2.855 N/A ILE 62.A N ASN 59.A O no hydrogen 3.170 N/A GLU 63.A N ASN 59.A O no hydrogen 2.918 N/A GLY 64.A N SER 60.A O no hydrogen 2.917 N/A LYS 65.A N ILE 61.A O no hydrogen 2.825 N/A GLN 69.A NE2 SER 46.A OG no hydrogen 2.619 N/A GLN 69.A NE2 LYS 47.A O no hydrogen 2.782 N/A GLU 71.A N SER 67.A O no hydrogen 2.998 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.927 N/A LYS 72.A N SER 68.A O no hydrogen 2.947 N/A LEU 73.A N LEU 70.A O no hydrogen 3.252 N/A LEU 74.A N LEU 70.A O no hydrogen 2.893 N/A GLU 75.A N GLU 71.A O no hydrogen 2.953 N/A GLU 76.A N LEU 73.A O no hydrogen 2.978 N/A ILE 77.A N LEU 73.A O no hydrogen 2.976 N/A ILE 86.A N TYR 2.A O no hydrogen 2.851 N/A LYS 91.A NZ GLU 63.A O no hydrogen 2.338 N/A LYS 91.A NZ GLY 64.A O no hydrogen 3.161 N/A ALA 93.A N GLU 89.A O no hydrogen 2.904 N/A ASN 94.A N THR 90.A O no hydrogen 2.930 N/A ALA 95.A N LYS 91.A O no hydrogen 2.916 N/A ILE 96.A N LEU 92.A O no hydrogen 2.853 N/A ASN 97.A N ALA 93.A O no hydrogen 2.915 N/A LYS 98.A N ASN 94.A O no hydrogen 2.857 N/A VAL 106.A N LEU 85.A O no hydrogen 2.909 N/A SER 107.A OG ASP 108.A OD1 no hydrogen 2.954 N/A ASP 108.A N SER 107.A OG no hydrogen 2.595 N/A ALA 109.A N SER 107.A O no hydrogen 2.747 N/A THR 111.A OG1 THR 111.A O no hydrogen 2.533 N/A TYR 115.A N THR 111.A O no hydrogen 3.035 N/A TYR 115.A OH LEU 4.A O no hydrogen 2.337 N/A TYR 115.A OH ILE 86.A O no hydrogen 2.698 N/A ARG 116.A N LEU 112.A O no hydrogen 2.801 N/A ALA 117.A N ASP 113.A O no hydrogen 2.766 N/A ILE 118.A N ILE 114.A O no hydrogen 2.924 N/A LYS 119.A N TYR 115.A O no hydrogen 2.928 N/A GLU 120.A N ARG 116.A O no hydrogen 2.877 N/A TYR 121.A N ALA 117.A O no hydrogen 2.864 N/A LEU 122.A N ILE 118.A O no hydrogen 2.868 N/A LEU 125.A N TYR 121.A O no hydrogen 2.988 N/A LEU 126.A N LEU 122.A O no hydrogen 2.632 N/A LEU 126.A N PRO 123.A O no hydrogen 3.286 N/A MET 129.A N LEU 125.A O no hydrogen 2.288 N/A SER 130.A N LEU 125.A O no hydrogen 3.193 N/A SER 130.A OG SER 130.A O no hydrogen 2.540 N/A ASN 132.A N SER 130.A O no hydrogen 2.523 N/A SER 135.A N ASP 133.A OD1 no hydrogen 3.093 N/A SER 135.A OG ASP 133.A OD1 no hydrogen 2.684 N/A LYS 136.A NZ ASP 133.A O no hydrogen 3.291 N/A SER 138.A N LEU 134.A O no hydrogen 2.895 N/A SER 138.A OG SER 8.A OG no hydrogen 2.946 N/A SER 138.A OG LEU 134.A O no hydrogen 3.111 N/A LEU 139.A N SER 135.A O no hydrogen 2.870 N/A GLY 140.A N LYS 136.A O no hydrogen 2.964 N/A LEU 141.A N MET 137.A O no hydrogen 2.911 N/A ALA 142.A N SER 138.A O no hydrogen 2.855 N/A HIS 143.A N LEU 139.A O no hydrogen 2.966 N/A SER 144.A N GLY 140.A O no hydrogen 2.965 N/A SER 144.A OG GLU 56.A OE1 no hydrogen 2.619 N/A SER 144.A OG GLY 140.A O no hydrogen 3.331 N/A SER 144.A OG LEU 141.A O no hydrogen 2.563 N/A ILE 145.A N LEU 141.A O no hydrogen 2.822 N/A GLY 146.A N ALA 142.A O no hydrogen 2.935 N/A ARG 147.A N HIS 143.A O no hydrogen 2.983 N/A HIS 148.A N SER 144.A O no hydrogen 2.904 N/A LYS 149.A N ILE 145.A O no hydrogen 2.901 N/A LEU 150.A N GLY 146.A O no hydrogen 2.999 N/A SER 153.A OG ASP 155.A OD1 no hydrogen 2.079 N/A LYS 156.A N SER 153.A O no hydrogen 2.837 N/A ILE 161.A N VAL 157.A O no hydrogen 3.164 N/A ILE 162.A N ASP 158.A O no hydrogen 2.895 N/A GLN 163.A N VAL 159.A O no hydrogen 2.992 N/A ALA 164.A N MET 160.A O no hydrogen 2.833 N/A ILE 165.A N ILE 161.A O no hydrogen 3.021 N/A ALA 166.A N ILE 162.A O no hydrogen 2.998 N/A LEU 167.A N GLN 163.A O no hydrogen 2.949 N/A LEU 168.A N ALA 164.A O no hydrogen 2.873 N/A ASP 169.A N ILE 165.A O no hydrogen 3.048 N/A ASP 170.A N ALA 166.A O no hydrogen 3.057 N/A LEU 171.A N LEU 167.A O no hydrogen 2.863 N/A ASP 172.A N LEU 168.A O no hydrogen 3.017 N/A LYS 173.A N ASP 169.A O no hydrogen 3.052 N/A GLU 174.A N ASP 170.A O no hydrogen 3.026 N/A LEU 175.A N LEU 171.A O no hydrogen 2.899 N/A ASN 176.A N ASP 172.A O no hydrogen 2.978 N/A THR 177.A N LYS 173.A O no hydrogen 3.040 N/A TYR 178.A N GLU 174.A O no hydrogen 2.997 N/A ALA 179.A N LEU 175.A O no hydrogen 2.936 N/A MET 180.A N ASN 176.A O no hydrogen 2.940 N/A ARG 181.A N THR 177.A O no hydrogen 2.972 N/A CYS 182.A N TYR 178.A O no hydrogen 2.940 N/A LYS 183.A N ALA 179.A O no hydrogen 2.905 N/A LYS 183.A NZ THR 198.A O no hydrogen 3.354 N/A GLU 184.A N MET 180.A O no hydrogen 2.966 N/A TRP 185.A N ARG 181.A O no hydrogen 3.017 N/A TYR 186.A N CYS 182.A O no hydrogen 2.971 N/A GLY 187.A N LYS 183.A O no hydrogen 2.854 N/A TRP 188.A N GLU 184.A O no hydrogen 2.932 N/A HIS 189.A N TRP 185.A O no hydrogen 3.106 N/A PHE 190.A N GLY 187.A O no hydrogen 2.639 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.794 N/A LEU 193.A N PHE 190.A O no hydrogen 3.373 N/A ILE 196.A N GLU 192.A O no hydrogen 2.974 N/A ILE 196.A N LEU 193.A O no hydrogen 2.553 N/A VAL 197.A N LEU 193.A O no hydrogen 2.885 N/A VAL 201.A N ASP 199.A OD1 no hydrogen 2.495 N/A ALA 202.A N ASP 199.A OD2 no hydrogen 2.805 N/A TYR 203.A N ASP 199.A O no hydrogen 2.885 N/A TYR 203.A OH CYS 182.A O no hydrogen 3.024 N/A ALA 204.A N SER 200.A O no hydrogen 2.868 N/A ARG 205.A N VAL 201.A O no hydrogen 2.912 N/A ILE 206.A N ALA 202.A O no hydrogen 2.929 N/A ILE 207.A N TYR 203.A O no hydrogen 2.984 N/A LEU 208.A N ALA 204.A O no hydrogen 2.864 N/A THR 209.A N ARG 205.A O no hydrogen 2.897 N/A THR 209.A OG1 ARG 205.A O no hydrogen 3.142 N/A MET 210.A N ILE 206.A O no hydrogen 2.951 N/A ALA 216.A N ILE 212.A O no hydrogen 2.934 N/A SER 217.A N ARG 213.A O no hydrogen 2.897 N/A GLU 218.A N SER 214.A O no hydrogen 2.943 N/A GLU 218.A N LYS 215.A O no hydrogen 3.305 N/A THR 219.A N LYS 215.A O no hydrogen 2.872 N/A THR 219.A OG1 LYS 215.A O no hydrogen 3.018 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.378 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.348 N/A LEU 225.A N LEU 221.A O no hydrogen 3.278 N/A GLU 228.A N GLU 228.A OE2 no hydrogen 2.432 N/A GLU 230.A N PRO 226.A O no hydrogen 2.935 N/A GLU 231.A N GLU 227.A O no hydrogen 2.887 N/A ARG 232.A N GLU 228.A O no hydrogen 2.985 N/A VAL 233.A N ILE 229.A O no hydrogen 2.907 N/A LYS 234.A N GLU 230.A O no hydrogen 2.863 N/A LYS 234.A NZ ALA 216.A O no hydrogen 3.088 N/A LYS 234.A NZ SER 217.A O no hydrogen 2.623 N/A LYS 234.A NZ THR 219.A O no hydrogen 3.429 N/A THR 235.A N GLU 231.A O no hydrogen 2.921 N/A ALA 236.A N ARG 232.A O no hydrogen 2.939 N/A ALA 237.A N VAL 233.A O no hydrogen 2.852 N/A GLU 238.A N LYS 234.A O no hydrogen 2.937 N/A VAL 239.A N THR 235.A O no hydrogen 2.938 N/A SER 240.A OG GLU 192.A OE1 no hydrogen 2.537 N/A SER 240.A OG GLU 192.A OE2 no hydrogen 3.379 N/A THR 246.A OG1 ASP 249.A OD2 no hydrogen 2.283 N/A LEU 250.A N THR 246.A O no hydrogen 2.901 N/A ASP 251.A N GLN 247.A O no hydrogen 2.921 N/A ASN 252.A N THR 248.A O no hydrogen 2.977 N/A ASN 252.A ND2 THR 248.A OG1 no hydrogen 3.379 N/A ILE 253.A N ASP 249.A O no hydrogen 2.922 N/A ASN 254.A N LEU 250.A O no hydrogen 2.862 N/A ALA 255.A N ASP 251.A O no hydrogen 2.944 N/A LEU 256.A N ASN 252.A O no hydrogen 2.922 N/A ALA 257.A N ILE 253.A O no hydrogen 2.934 N/A GLU 258.A N ASN 254.A O no hydrogen 2.959 N/A GLN 259.A N ALA 255.A O no hydrogen 2.964 N/A ILE 260.A N LEU 256.A O no hydrogen 2.889 N/A VAL 261.A N ALA 257.A O no hydrogen 2.986 N/A GLU 262.A N GLU 258.A O no hydrogen 2.910 N/A PHE 263.A N GLN 259.A O no hydrogen 2.944 N/A ALA 264.A N ILE 260.A O no hydrogen 2.945 N/A ALA 265.A N VAL 261.A O no hydrogen 2.934 N/A TYR 266.A N GLU 262.A O no hydrogen 2.899 N/A ARG 267.A N PHE 263.A O no hydrogen 2.850 N/A GLU 268.A N ALA 264.A O no hydrogen 3.119 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.726 N/A GLN 269.A N ALA 265.A O no hydrogen 2.950 N/A LEU 270.A N TYR 266.A O no hydrogen 2.870 N/A SER 271.A N ARG 267.A O no hydrogen 2.900 N/A SER 271.A OG GLU 268.A O no hydrogen 2.602 N/A SER 271.A OG ASN 272.A OD1 no hydrogen 3.446 N/A ASN 272.A N GLU 268.A O no hydrogen 2.977 N/A TYR 273.A N GLN 269.A O no hydrogen 2.927 N/A LEU 274.A N LEU 270.A O no hydrogen 2.875 N/A SER 275.A N SER 271.A O no hydrogen 2.883 N/A SER 275.A OG SER 271.A O no hydrogen 3.234 N/A SER 275.A OG GLU 291.A OE1 no hydrogen 2.173 N/A ALA 276.A N ASN 272.A O no hydrogen 3.001 N/A ARG 277.A N TYR 273.A O no hydrogen 2.918 N/A ARG 277.A NH1 ASP 155.A O no hydrogen 2.789 N/A ARG 277.A NH2 ASP 155.A O no hydrogen 2.977 N/A MET 278.A N LEU 274.A O no hydrogen 2.801 N/A LYS 279.A N SER 275.A O no hydrogen 2.996 N/A ALA 280.A N ALA 276.A O no hydrogen 2.940 N/A ILE 281.A N ARG 277.A O no hydrogen 2.868 N/A ILE 281.A N MET 278.A O no hydrogen 3.108 N/A ALA 282.A N MET 278.A O no hydrogen 2.923 N/A ASN 284.A N ASP 372.A OD1 no hydrogen 3.395 N/A ASN 284.A ND2 ASP 372.A OD1 no hydrogen 2.381 N/A LEU 285.A N ASP 372.A OD2 no hydrogen 3.082 N/A THR 286.A N ALA 282.A O no hydrogen 3.142 N/A THR 286.A OG1 MET 278.A O no hydrogen 3.347 N/A THR 286.A OG1 ALA 282.A O no hydrogen 2.892 N/A GLN 287.A N PRO 283.A O no hydrogen 2.907 N/A LEU 288.A N ASN 284.A O no hydrogen 2.917 N/A VAL 289.A N LEU 285.A O no hydrogen 2.934 N/A GLY 290.A N THR 286.A O no hydrogen 3.267 N/A GLY 294.A N GLY 290.A O no hydrogen 2.912 N/A ALA 295.A N GLU 291.A O no hydrogen 2.880 N/A ARG 296.A N LEU 292.A O no hydrogen 2.936 N/A ARG 296.A NH2 ASP 169.A OD2 no hydrogen 3.216 N/A LEU 297.A N VAL 293.A O no hydrogen 2.905 N/A ILE 298.A N GLY 294.A O no hydrogen 2.979 N/A ALA 299.A N ALA 295.A O no hydrogen 2.913 N/A HIS 300.A N ARG 296.A O no hydrogen 2.836 N/A SER 301.A N LEU 297.A O no hydrogen 2.989 N/A GLY 302.A N ALA 299.A O no hydrogen 3.007 N/A SER 303.A OG ASP 158.A OD2 no hydrogen 3.394 N/A LEU 304.A N ASP 158.A OD2 no hydrogen 2.943 N/A LEU 307.A N SER 303.A O no hydrogen 2.925 N/A ALA 308.A N LEU 304.A O no hydrogen 2.947 N/A LYS 309.A N ILE 305.A O no hydrogen 2.723 N/A SER 310.A N SER 306.A O no hydrogen 3.052 N/A SER 310.A OG PRO 311.A O no hydrogen 3.427 N/A SER 310.A OG THR 314.A OG1 no hydrogen 2.245 N/A THR 314.A OG1 SER 310.A OG no hydrogen 2.245 N/A THR 314.A OG1 PRO 311.A O no hydrogen 2.305 N/A ILE 315.A N PRO 311.A O no hydrogen 3.428 N/A GLN 316.A N ALA 312.A O no hydrogen 2.950 N/A ILE 317.A N SER 313.A O no hydrogen 2.957 N/A GLU 321.A N GLY 319.A O no hydrogen 2.583 N/A LEU 324.A N ALA 320.A O no hydrogen 2.976 N/A PHE 325.A N GLU 321.A O no hydrogen 2.886 N/A ARG 326.A N LYS 322.A O no hydrogen 2.929 N/A ALA 327.A N ALA 323.A O no hydrogen 2.895 N/A LEU 328.A N LEU 324.A O no hydrogen 2.895 N/A LYS 329.A N PHE 325.A O no hydrogen 2.905 N/A THR 330.A N ARG 326.A O no hydrogen 3.014 N/A THR 330.A N ALA 327.A O no hydrogen 3.345 N/A THR 330.A OG1 THR 330.A O no hydrogen 2.547 N/A HIS 332.A N ALA 327.A O no hydrogen 3.115 N/A ALA 343.A N LEU 340.A O no hydrogen 3.397 N/A GLY 347.A N ALA 343.A O no hydrogen 2.858 N/A GLN 348.A N SER 344.A O no hydrogen 2.932 N/A GLN 348.A N LEU 345.A O no hydrogen 2.973 N/A ALA 349.A N LEU 345.A O no hydrogen 3.025 N/A ASN 353.A ND2 THR 350.A O no hydrogen 3.395 N/A GLY 355.A N GLY 351.A O no hydrogen 2.997 N/A LYS 356.A N LYS 352.A O no hydrogen 2.957 N/A ILE 357.A N ASN 353.A O no hydrogen 2.832 N/A ALA 358.A N LYS 354.A O no hydrogen 2.825 N/A ARG 359.A N GLY 355.A O no hydrogen 2.945 N/A VAL 360.A N LYS 356.A O no hydrogen 2.954 N/A LEU 361.A N ILE 357.A O no hydrogen 2.818 N/A ALA 362.A N ALA 358.A O no hydrogen 2.851 N/A ALA 363.A N ARG 359.A O no hydrogen 3.022 N/A LYS 364.A N VAL 360.A O no hydrogen 2.991 N/A ALA 365.A N LEU 361.A O no hydrogen 2.796 N/A ALA 366.A N ALA 362.A O no hydrogen 2.883 N/A VAL 367.A N ALA 363.A O no hydrogen 3.035 N/A SER 368.A N LYS 364.A O no hydrogen 2.925 N/A LEU 369.A N ALA 365.A O no hydrogen 2.819 N/A ARG 370.A N ALA 366.A O no hydrogen 2.950 N/A ARG 370.A NE ALA 308.A O no hydrogen 3.294 N/A ARG 370.A NH1 SER 310.A O no hydrogen 3.147 N/A TYR 371.A N VAL 367.A O no hydrogen 2.975 N/A ASP 372.A N SER 368.A O no hydrogen 2.954 N/A ALA 373.A N LEU 369.A O no hydrogen 2.892 N/A LEU 374.A N ARG 370.A O no hydrogen 2.998 N/A ALA 375.A N TYR 371.A O no hydrogen 3.404 N/A ARG 378.A NH1 ASP 380.A OD1 no hydrogen 2.453 N/A SER 381.A OG ASP 379.A OD2 no hydrogen 3.424 N/A SER 381.A OG ASP 383.A OD2 no hydrogen 2.222 N/A GLY 385.A N ASN 284.A OD1 no hydrogen 2.902 N/A LEU 386.A N GLY 382.A O no hydrogen 2.886 N/A GLU 387.A N ASP 383.A O no hydrogen 2.932 N/A SER 388.A N ILE 384.A O no hydrogen 2.847 N/A ARG 389.A N GLY 385.A O no hydrogen 2.851 N/A ALA 390.A N LEU 386.A O no hydrogen 2.961 N/A LYS 391.A N GLU 387.A O no hydrogen 2.889 N/A VAL 392.A N SER 388.A O no hydrogen 2.883 N/A GLU 393.A N ARG 389.A O no hydrogen 2.841 N/A ASN 394.A N ALA 390.A O no hydrogen 2.981 N/A ARG 395.A N LYS 391.A O no hydrogen 2.969 N/A LEU 396.A N VAL 392.A O no hydrogen 2.835 N/A SER 397.A N GLU 393.A O no hydrogen 2.987 N/A GLN 398.A N ASN 394.A O no hydrogen 3.004 N/A LEU 399.A N ARG 395.A O no hydrogen 2.951 N/A GLU 400.A N LEU 396.A O no hydrogen 2.811 N/A GLY 401.A N SER 397.A O no hydrogen 2.895 N/A ARG 402.A N GLN 398.A O no hydrogen 3.047 N/A THR 407.A OG1 THR 407.A O no hydrogen 2.421 N/A THR 420.A OG1 GLU 421.A O no hydrogen 3.418 N/A TYR 425.A OH ASP 430.A OD1 no hydrogen 3.263 N/A ASP 428.A N ASN 426.A OD1 no hydrogen 2.983 N/A ALA 429.A N ASP 428.A OD1 no hydrogen 2.135 N/A ASP 430.A N ASN 426.A O no hydrogen 3.168 N/A THR 431.A N ALA 427.A O no hydrogen 2.939 N/A THR 431.A N ASP 428.A O no hydrogen 3.167 N/A THR 431.A OG1 ALA 427.A O no hydrogen 3.353 N/A