Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dbv_O.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N PRO 24.A O no hydrogen 2.785 N/A VAL 2.A N ASP 25.A O no hydrogen 2.770 N/A LYS 3.A NZ ILE 87.A O no hydrogen 2.973 N/A VAL 4.A N GLU 27.A O no hydrogen 2.764 N/A GLY 5.A N ILE 91.A O no hydrogen 2.799 N/A ILE 6.A N ALA 30.A O no hydrogen 3.263 N/A ASN 7.A N VAL 93.A O no hydrogen 2.691 N/A ASN 7.A ND2 GLU 94.A OE1 no hydrogen 2.951 N/A GLY 8.A N ASN 32.A O no hydrogen 2.697 N/A GLY 10.A N GLY 8.A O no hydrogen 3.060 N/A ARG 11.A NE GLU 315.A OE2 no hydrogen 3.100 N/A ARG 11.A NH1 ASP 47.A OD1 no hydrogen 3.462 N/A ARG 11.A NH1 ASP 47.A OD2 no hydrogen 3.451 N/A ARG 11.A NH2 ASP 47.A OD1 no hydrogen 3.010 N/A ARG 11.A NH2 ASP 47.A OD2 no hydrogen 3.389 N/A ARG 11.A NH2 GLU 315.A OE1 no hydrogen 3.063 N/A ARG 14.A N GLY 10.A O no hydrogen 2.724 N/A ARG 14.A NH1 PHE 9.A O no hydrogen 2.767 N/A ASN 15.A N ARG 11.A O no hydrogen 3.313 N/A ASN 15.A ND2 ARG 11.A O no hydrogen 2.704 N/A VAL 16.A N ILE 12.A O no hydrogen 2.925 N/A PHE 17.A N GLY 13.A O no hydrogen 3.107 N/A ARG 18.A N ARG 14.A O no hydrogen 2.981 N/A ARG 18.A NH1 GLY 51.A O no hydrogen 3.387 N/A ARG 18.A NH2 LEU 44.A O no hydrogen 2.991 N/A ARG 18.A NH2 GLY 51.A O no hydrogen 2.891 N/A ALA 19.A N ASN 15.A O no hydrogen 3.046 N/A ALA 20.A N VAL 16.A O no hydrogen 2.694 N/A LEU 21.A N PHE 17.A O no hydrogen 3.192 N/A LYS 22.A N ALA 19.A O no hydrogen 3.174 N/A LYS 22.A NZ HIS 320.A NE2 no hydrogen 3.076 N/A ASN 23.A N ALA 20.A O no hydrogen 2.850 N/A ILE 26.A N ASN 23.A OD1 no hydrogen 3.047 N/A GLU 27.A N VAL 2.A O no hydrogen 2.784 N/A VAL 29.A N VAL 4.A O no hydrogen 2.813 N/A VAL 31.A N ILE 72.A O no hydrogen 2.759 N/A ASN 32.A N ILE 6.A O no hydrogen 3.017 N/A ASN 32.A ND2 ASN 7.A OD1 no hydrogen 2.553 N/A ASN 32.A ND2 GLU 76.A O no hydrogen 2.810 N/A GLY 33.A N LYS 74.A O no hydrogen 3.273 N/A ALA 37.A N ASN 62.A OD1 no hydrogen 2.968 N/A THR 39.A N ASP 36.A O no hydrogen 3.146 N/A THR 39.A N ASP 36.A OD2 no hydrogen 3.112 N/A THR 39.A OG1 ASP 36.A OD1 no hydrogen 2.933 N/A THR 39.A OG1 ASP 36.A OD2 no hydrogen 3.399 N/A LEU 40.A N ASP 36.A O no hydrogen 3.079 N/A ALA 41.A N ALA 37.A O no hydrogen 2.886 N/A HIS 42.A N ASN 38.A O no hydrogen 3.248 N/A LEU 43.A N THR 39.A O no hydrogen 2.920 N/A LEU 44.A N LEU 40.A O no hydrogen 3.111 N/A LYS 45.A N ALA 41.A O no hydrogen 2.944 N/A LYS 45.A NZ LEU 53.A O no hydrogen 2.608 N/A TYR 46.A N HIS 42.A O no hydrogen 2.944 N/A ASP 47.A N GLY 51.A O no hydrogen 3.248 N/A VAL 49.A N ASP 47.A OD1 no hydrogen 2.960 N/A HIS 50.A N ASP 47.A OD1 no hydrogen 3.002 N/A HIS 50.A NE2 GLU 315.A OE1 no hydrogen 2.799 N/A GLY 51.A N ASP 47.A O no hydrogen 2.937 N/A LEU 53.A N LYS 45.A O no hydrogen 2.721 N/A GLU 56.A N ASN 67.A OD1 no hydrogen 2.796 N/A SER 58.A N VAL 65.A O no hydrogen 2.694 N/A SER 58.A OG VAL 65.A O no hydrogen 2.889 N/A ASN 60.A N ASN 63.A O no hydrogen 2.800 N/A ASN 62.A ND2 VAL 73.A O no hydrogen 3.412 N/A ASN 63.A N ASN 60.A O no hydrogen 2.773 N/A ASN 63.A ND2 ASN 62.A O no hydrogen 2.916 N/A LEU 64.A N ILE 71.A O no hydrogen 2.906 N/A VAL 65.A N SER 58.A O no hydrogen 2.704 N/A VAL 66.A N LYS 69.A O no hydrogen 3.003 N/A ASN 67.A N GLU 56.A O no hydrogen 2.772 N/A LYS 69.A N VAL 66.A O no hydrogen 3.083 N/A ILE 71.A N LEU 64.A O no hydrogen 2.700 N/A ILE 72.A N VAL 29.A O no hydrogen 3.084 N/A LYS 74.A N VAL 31.A O no hydrogen 2.856 N/A LYS 74.A NZ LEU 82.A O no hydrogen 2.516 N/A GLU 80.A N ASP 78.A OD1 no hydrogen 3.309 N/A ASN 81.A N ASP 78.A O no hydrogen 2.935 N/A TRP 84.A NE1 HIS 108.A ND1 no hydrogen 2.806 N/A GLY 85.A N ALA 111.A O no hydrogen 2.861 N/A GLU 86.A N ALA 83.A O no hydrogen 3.100 N/A VAL 89.A N TRP 84.A O no hydrogen 3.158 N/A ASP 90.A N LYS 3.A O no hydrogen 3.172 N/A ILE 91.A N LYS 3.A O no hydrogen 3.321 N/A VAL 92.A N LYS 115.A O no hydrogen 3.043 N/A VAL 93.A N GLY 5.A O no hydrogen 2.671 N/A GLU 94.A N ILE 117.A O no hydrogen 2.768 N/A SER 95.A N ASN 7.A O no hydrogen 2.878 N/A SER 95.A OG ASN 7.A O no hydrogen 3.144 N/A SER 95.A OG GLY 8.A O no hydrogen 2.978 N/A THR 96.A N GLU 94.A OE2 no hydrogen 3.180 N/A THR 96.A OG1 GLU 94.A OE2 no hydrogen 2.704 N/A ARG 98.A N THR 96.A OG1 no hydrogen 2.856 N/A ARG 102.A N LYS 123A.A O no hydrogen 2.765 N/A ARG 102.A NH1 ASP 126.A OD1 no hydrogen 3.065 N/A ARG 102.A NH1 ASP 126.A OD2 no hydrogen 2.952 N/A ASP 104.A N LYS 101.A O no hydrogen 2.922 N/A ALA 105.A N LYS 101.A O no hydrogen 3.411 N/A ALA 106.A N ARG 102.A O no hydrogen 3.104 N/A LYS 107.A N ASP 104.A O no hydrogen 2.860 N/A LYS 107.A NZ GLU 80.A OE1 no hydrogen 3.011 N/A HIS 108.A N ALA 105.A O no hydrogen 3.108 N/A HIS 108.A NE2 GLU 94.A OE1 no hydrogen 2.692 N/A LEU 109.A N ALA 106.A O no hydrogen 3.009 N/A GLU 110.A N ALA 106.A O no hydrogen 3.246 N/A ALA 111.A N LYS 107.A O no hydrogen 2.954 N/A GLY 112.A N LEU 109.A O no hydrogen 3.187 N/A ALA 113.A N HIS 108.A O no hydrogen 2.987 N/A LYS 114.A N ASP 90.A O no hydrogen 2.896 N/A LYS 114.A NZ ASP 90.A OD1 no hydrogen 3.196 N/A LYS 115.A N ASP 90.A O no hydrogen 2.922 N/A LYS 115.A NZ TYR 138.A OH no hydrogen 3.195 N/A LYS 115.A NZ HIS 143.A O no hydrogen 2.569 N/A LYS 115.A NZ HIS 144.A ND1 no hydrogen 2.927 N/A LYS 115.A NZ PRO 140A.A O no hydrogen 2.893 N/A VAL 116.A N HIS 144.A O no hydrogen 2.834 N/A ILE 117.A N VAL 92.A O no hydrogen 2.931 N/A ILE 118.A N ILE 146.A O no hydrogen 2.862 N/A SER 119.A N GLU 94.A O no hydrogen 3.000 N/A SER 119.A OG GLU 94.A O no hydrogen 3.227 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.818 N/A ASP 126.A N VAL 145.A O no hydrogen 2.736 N/A THR 128.A OG1 GLU 125.A OE2 no hydrogen 3.335 N/A ILE 129.A N SER 147.A O no hydrogen 3.061 N/A VAL 130.A N ASN 134.A OD1 no hydrogen 2.822 N/A GLY 132.A N GLN 135.A OE1 no hydrogen 2.762 N/A VAL 133.A N VAL 130.A O no hydrogen 2.954 N/A ASN 134.A N VAL 130.A O no hydrogen 3.155 N/A ASN 134.A ND2 THR 128.A O no hydrogen 2.944 N/A LYS 137.A N ASN 134.A O no hydrogen 3.026 N/A TYR 138.A N GLN 135.A O no hydrogen 2.996 N/A ASP 139.A N HIS 143.A ND1 no hydrogen 2.997 N/A LYS 141.A N ASP 139.A OD1 no hydrogen 2.908 N/A ALA 142.A N ASP 139.A OD1 no hydrogen 3.144 N/A HIS 143.A N ASP 139.A O no hydrogen 2.855 N/A HIS 144.A N ASP 126.A OD2 no hydrogen 2.924 N/A VAL 145.A N ASP 126.A OD2 no hydrogen 2.898 N/A ILE 146.A N VAL 116.A O no hydrogen 2.983 N/A SER 147.A N ILE 127.A O no hydrogen 2.787 N/A SER 147.A OG ALA 120.A O no hydrogen 2.783 N/A ASN 148.A N ILE 118.A O no hydrogen 3.051 N/A ASN 148.A ND2 ILE 129.A O no hydrogen 3.507 N/A ALA 149.A N SER 147.A OG no hydrogen 3.269 N/A SER 150.A OG THR 153.A OG1 no hydrogen 3.050 N/A CYS 151.A SG HIS 178.A NE2 no hydrogen 3.669 N/A THR 152.A OG1 TYR 312.A OH no hydrogen 2.747 N/A THR 153.A N SER 150.A OG no hydrogen 3.072 N/A THR 153.A OG1 SER 150.A OG no hydrogen 3.050 N/A THR 153.A OG1 ALA 211.A O no hydrogen 3.224 N/A ASN 154.A N SER 150.A O no hydrogen 3.018 N/A CYS 155.A N CYS 151.A O no hydrogen 3.033 N/A CYS 155.A SG SER 291.A OG no hydrogen 3.085 N/A CYS 155.A SG SER 310.A OG no hydrogen 3.346 N/A LEU 156.A N THR 152.A O no hydrogen 3.088 N/A ALA 157.A N THR 153.A O no hydrogen 3.110 N/A PHE 159.A N LEU 156.A O no hydrogen 2.962 N/A ALA 160.A N LEU 156.A O no hydrogen 2.847 N/A ALA 160.A N ALA 157.A O no hydrogen 2.853 N/A LYS 161.A N ALA 157.A O no hydrogen 2.781 N/A LEU 163.A N PHE 159.A O no hydrogen 3.013 N/A HIS 164.A N ALA 160.A O no hydrogen 2.967 N/A GLU 165.A N LYS 161.A O no hydrogen 2.925 N/A GLN 166.A N VAL 162.A O no hydrogen 2.873 N/A PHE 167.A N LEU 163.A O no hydrogen 2.875 N/A GLY 168.A N LEU 163.A O no hydrogen 3.026 N/A ILE 169.A N HIS 164.A ND1 no hydrogen 3.329 N/A VAL 170.A N GLU 246.A O no hydrogen 2.852 N/A ARG 171.A N GLU 246.A O no hydrogen 3.418 N/A GLY 172.A N LYS 225.A O no hydrogen 3.043 N/A MET 173.A N VAL 244.A O no hydrogen 2.889 N/A MET 174.A N ASN 227.A O no hydrogen 2.962 N/A THR 175.A N ASP 242.A O no hydrogen 3.102 N/A THR 175.A OG1 MET 174.A O no hydrogen 3.168 N/A THR 176.A N MET 229.A O no hydrogen 3.162 N/A THR 176.A OG1 VAL 240.A O no hydrogen 3.408 N/A THR 176.A OG1 TYR 312.A OH no hydrogen 2.724 N/A VAL 177.A N VAL 240.A O no hydrogen 2.815 N/A HIS 178.A N MET 231.A O no hydrogen 2.995 N/A HIS 178.A ND1 SER 179.A O no hydrogen 2.530 N/A SER 179.A N SER 239.A OG no hydrogen 3.380 N/A SER 179.A OG THR 235.A OG1 no hydrogen 2.652 N/A SER 179.A OG VAL 238.A O no hydrogen 2.487 N/A TYR 180.A N THR 235.A O no hydrogen 3.086 N/A THR 181.A N GLN 184.A OE1 no hydrogen 3.169 N/A GLN 184.A N THR 181.A O no hydrogen 3.195 N/A ARG 185.A NE SER 190.A O no hydrogen 2.920 N/A ARG 185.A NH1 GLN 184.A O no hydrogen 3.328 N/A ALA 189.A N ALA 197.A O no hydrogen 2.801 N/A HIS 191.A NE2 ASP 183.A O no hydrogen 2.718 N/A HIS 191.A NE2 ASP 183.A OD2 no hydrogen 3.242 N/A ASP 193.A N HIS 191.A ND1 no hydrogen 3.014 N/A ARG 195.A N ASP 193.A OD1 no hydrogen 2.594 N/A ARG 196.A N ASP 193.A OD1 no hydrogen 3.038 N/A ARG 196.A NE THR 207.A OG1 no hydrogen 3.294 N/A ARG 196.A NH1 ASP 183.A OD2 no hydrogen 2.869 N/A ARG 198.A N ARG 195.A O no hydrogen 3.144 N/A ARG 198.A NE ASP 188.A OD2 no hydrogen 3.009 N/A ALA 199.A N ASP 188.A OD1 no hydrogen 3.012 N/A ALA 200.A N ARG 185.A O no hydrogen 3.064 N/A GLU 202.A N ALA 199.A O no hydrogen 3.301 N/A ILE 205.A N ARG 232.A O no hydrogen 2.822 N/A THR 207.A N ALA 230.A O no hydrogen 3.019 N/A THR 207.A OG1 ASP 193.A OD2 no hydrogen 3.018 N/A ALA 211.A N THR 209.A OG1 no hydrogen 3.223 N/A ALA 214.A N GLY 210.A O no hydrogen 2.781 N/A VAL 215.A N ALA 211.A O no hydrogen 3.428 N/A ALA 216.A N LYS 213.A O no hydrogen 2.959 N/A LEU 217.A N ALA 214.A O no hydrogen 2.759 N/A VAL 218.A N VAL 215.A O no hydrogen 3.326 N/A LEU 219.A N VAL 215.A O no hydrogen 2.721 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.934 N/A LEU 222.A N LEU 219.A O no hydrogen 2.753 N/A LYS 223.A N PRO 220.A O no hydrogen 3.011 N/A LYS 225.A N LEU 222.A O no hydrogen 3.219 N/A LYS 225.A NZ ILE 169.A O no hydrogen 2.939 N/A GLY 228.A N ASN 227.A OD1 no hydrogen 2.953 N/A MET 229.A N MET 174.A O no hydrogen 3.084 N/A ALA 230.A N THR 207.A O no hydrogen 2.971 N/A MET 231.A N THR 176.A O no hydrogen 2.895 N/A ARG 232.A N ILE 205.A O no hydrogen 2.942 N/A ARG 232.A NH1 THR 181.A OG1 no hydrogen 2.833 N/A ARG 232.A NH1 GLN 184.A OE1 no hydrogen 2.667 N/A VAL 233.A N HIS 178.A O no hydrogen 2.893 N/A THR 235.A N VAL 233.A O no hydrogen 3.018 N/A THR 235.A OG1 SER 179.A OG no hydrogen 2.652 N/A ASN 237.A ND2 ASN 285.A OD1 no hydrogen 2.626 N/A ASN 237.A ND2 ASP 313.A OD1 no hydrogen 2.657 N/A ASN 237.A ND2 ASP 313.A OD2 no hydrogen 3.232 N/A VAL 238.A N ASN 314.A OD1 no hydrogen 2.995 N/A SER 239.A N TYR 312.A O no hydrogen 2.698 N/A SER 239.A OG ASN 314.A OD1 no hydrogen 2.720 N/A VAL 240.A N VAL 177.A O no hydrogen 2.839 N/A VAL 241.A N SER 310.A O no hydrogen 2.821 N/A ASP 242.A N THR 175.A O no hydrogen 2.834 N/A LEU 243.A N VAL 308.A O no hydrogen 2.824 N/A VAL 244.A N MET 173.A O no hydrogen 2.954 N/A ALA 245.A N VAL 306.A O no hydrogen 2.902 N/A GLU 246.A N ARG 171.A O no hydrogen 2.749 N/A LEU 247.A N LYS 304.A O no hydrogen 2.909 N/A GLU 248.A N GLY 168.A O no hydrogen 2.827 N/A LYS 249.A N PHE 167.A O no hydrogen 3.164 N/A VAL 251.A N GLY 303.A O no hydrogen 2.819 N/A THR 252.A OG1 GLU 254.A OE1 no hydrogen 3.341 N/A THR 252.A OG1 GLU 255.A OE2 no hydrogen 2.899 N/A GLU 255.A N THR 252.A O no hydrogen 2.957 N/A VAL 256.A N THR 252.A O no hydrogen 3.071 N/A ASN 257.A N VAL 253.A O no hydrogen 2.863 N/A ASN 257.A ND2 THR 298.A OG1 no hydrogen 2.599 N/A ALA 258.A N GLU 254.A O no hydrogen 3.065 N/A ALA 259.A N GLU 255.A O no hydrogen 3.056 N/A LEU 260.A N VAL 256.A O no hydrogen 3.200 N/A LYS 261.A N ASN 257.A O no hydrogen 2.962 N/A ALA 262.A N ALA 258.A O no hydrogen 3.036 N/A ALA 263.A N ALA 259.A O no hydrogen 3.167 N/A ALA 264.A N LEU 260.A O no hydrogen 3.043 N/A GLU 265.A N ALA 262.A O no hydrogen 3.109 N/A GLY 266.A N ALA 262.A O no hydrogen 2.759 N/A LEU 268.A N ALA 263.A O no hydrogen 3.014 N/A LYS 269.A N GLY 266.A O no hydrogen 3.318 N/A ILE 271.A N LEU 268.A O no hydrogen 2.886 N/A LEU 272.A N LEU 268.A O no hydrogen 2.851 N/A ALA 273.A N SER 291.A O no hydrogen 2.698 N/A TYR 274.A OH GLU 276.A OE1 no hydrogen 3.217 N/A TYR 274.A OH GLU 276.A OE2 no hydrogen 3.408 N/A SER 275.A N ILE 293.A O no hydrogen 2.928 N/A GLU 277.A N SER 275.A OG no hydrogen 3.146 N/A VAL 280.A N ASP 283.A OD2 no hydrogen 3.060 N/A ASP 283.A N VAL 280.A O no hydrogen 3.313 N/A TYR 284.A N SER 281.A O no hydrogen 2.882 N/A ASN 285.A ND2 VAL 49.A O no hydrogen 2.966 N/A GLY 286.A N ASP 313.A OD2 no hydrogen 2.801 N/A SER 287.A N TYR 284.A O no hydrogen 2.983 N/A SER 291.A N ILE 271.A O no hydrogen 2.889 N/A SER 291.A OG CYS 155.A O no hydrogen 2.718 N/A SER 291.A OG SER 310.A OG no hydrogen 2.433 N/A THR 292.A N TRP 311.A O no hydrogen 3.070 N/A ILE 293.A N ALA 273.A O no hydrogen 2.976 N/A ASP 294.A N VAL 309.A O no hydrogen 2.746 N/A ALA 295.A N SER 275.A O no hydrogen 2.837 N/A SER 297.A N ASP 294.A O no hydrogen 2.786 N/A SER 297.A OG ASP 294.A OD2 no hydrogen 2.638 N/A THR 298.A N ALA 295.A O no hydrogen 3.314 N/A THR 298.A OG1 ALA 295.A O no hydrogen 3.112 N/A MET 299.A N LYS 307.A O no hydrogen 2.977 N/A ILE 301.A N MET 305.A O no hydrogen 2.936 N/A LYS 304.A N ILE 301.A O no hydrogen 3.034 N/A MET 305.A N ILE 301.A O no hydrogen 3.047 N/A VAL 306.A N ALA 245.A O no hydrogen 2.792 N/A LYS 307.A N MET 299.A O no hydrogen 2.865 N/A LYS 307.A NZ ASP 242.A OD1 no hydrogen 2.924 N/A VAL 308.A N LEU 243.A O no hydrogen 2.837 N/A SER 310.A N VAL 241.A O no hydrogen 2.795 N/A SER 310.A OG SER 291.A OG no hydrogen 2.433 N/A TRP 311.A N THR 292.A O no hydrogen 2.755 N/A TRP 311.A NE1 ASP 294.A OD1 no hydrogen 2.871 N/A TYR 312.A N SER 239.A O no hydrogen 2.816 N/A TYR 312.A OH THR 152.A OG1 no hydrogen 2.747 N/A TYR 312.A OH THR 176.A OG1 no hydrogen 2.724 N/A GLU 315.A N ASP 313.A OD1 no hydrogen 3.009 N/A THR 316.A N ASP 313.A OD1 no hydrogen 2.996 N/A THR 316.A OG1 ASP 313.A OD2 no hydrogen 2.582 N/A GLY 317.A N ASP 313.A O no hydrogen 3.141 N/A TYR 318.A OH ALA 149.A O no hydrogen 2.706 N/A SER 319.A N GLU 315.A O no hydrogen 2.956 N/A SER 319.A OG GLU 315.A O no hydrogen 2.358 N/A HIS 320.A N THR 316.A O no hydrogen 2.949 N/A ARG 321.A N GLY 317.A O no hydrogen 3.017 N/A ARG 321.A NE ASP 324.A OD2 no hydrogen 2.771 N/A ARG 321.A NH1 THR 288.A O no hydrogen 2.973 N/A ARG 321.A NH1 SER 290.A OG no hydrogen 2.698 N/A ARG 321.A NH2 THR 288.A O no hydrogen 3.090 N/A ARG 321.A NH2 ASP 324.A OD2 no hydrogen 3.194 N/A VAL 322.A N TYR 318.A O no hydrogen 2.953 N/A VAL 323.A N SER 319.A O no hydrogen 3.142 N/A ASP 324.A N HIS 320.A O no hydrogen 2.844 N/A LEU 325.A N ARG 321.A O no hydrogen 2.973 N/A ALA 326.A N VAL 322.A O no hydrogen 2.941 N/A ALA 327.A N VAL 323.A O no hydrogen 3.016 N/A TYR 328.A N ASP 324.A O no hydrogen 2.824 N/A ILE 329.A N LEU 325.A O no hydrogen 2.799 N/A ALA 330.A N ALA 326.A O no hydrogen 2.953 N/A SER 331.A N ALA 327.A O no hydrogen 3.141 N/A SER 331.A OG TYR 328.A O no hydrogen 2.996 N/A LYS 332.A N TYR 328.A O no hydrogen 3.239 N/A LYS 332.A N ILE 329.A O no hydrogen 2.968 N/A LYS 332.A NZ TYR 328.A OH no hydrogen 2.729 N/A GLY 333.A N ALA 330.A O no hydrogen 3.123 N/A LYS 123A.A N THR 100.A O no hydrogen 2.999 N/A