Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6y4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 PRO 88.A O no hydrogen 2.970 N/A TYR 5.A N VAL 16.A O no hydrogen 2.841 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.661 N/A GLN 7.A N TRP 14.A O no hydrogen 2.902 N/A LEU 9.A N THR 12.A O no hydrogen 2.814 N/A THR 12.A N LEU 9.A O no hydrogen 3.033 N/A THR 12.A OG1 LEU 9.A O no hydrogen 2.321 N/A TRP 14.A N GLN 7.A O no hydrogen 2.773 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.899 N/A VAL 16.A N TYR 5.A O no hydrogen 3.071 N/A GLU 18.A N THR 3.A O no hydrogen 2.904 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.877 N/A ARG 19.A NH1 ASP 39.A OD2 no hydrogen 3.045 N/A TYR 20.A N PRO 17.A O no hydrogen 2.845 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.617 N/A GLN 21.A N PHE 38.A O no hydrogen 2.786 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.598 N/A SER 24.A N ALA 36.A O no hydrogen 2.866 N/A VAL 26.A N VAL 34.A O no hydrogen 3.209 N/A ALA 30.A N GLY 27.A O no hydrogen 3.003 N/A GLY 32.A N GLY 29.A O no hydrogen 3.274 N/A CYS 35.A N VAL 48.A O no hydrogen 2.780 N/A ALA 36.A N SER 24.A O no hydrogen 2.984 N/A ALA 37.A N VAL 46.A O no hydrogen 2.931 N/A PHE 38.A N GLN 21.A O no hydrogen 2.768 N/A ASP 39.A N HIS 44.A O no hydrogen 2.934 N/A THR 40.A N ARG 19.A O no hydrogen 2.828 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.813 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.091 N/A THR 42.A N ASP 39.A O no hydrogen 3.302 N/A THR 42.A OG1 ASP 39.A O no hydrogen 3.570 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 3.001 N/A GLY 43.A N ASP 39.A O no hydrogen 2.793 N/A VAL 46.A N ALA 37.A O no hydrogen 2.837 N/A ALA 47.A N THR 102.A O no hydrogen 2.842 N/A VAL 48.A N CYS 35.A O no hydrogen 2.783 N/A LYS 49.A N LEU 100.A O no hydrogen 2.714 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.436 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.800 N/A LYS 50.A N SER 33.A O no hydrogen 2.978 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.457 N/A LEU 51.A N VAL 98.A O no hydrogen 2.955 N/A GLN 56.A N ARG 53.A O no hydrogen 3.351 N/A HIS 60.A N SER 57.A OG no hydrogen 3.029 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.662 N/A ALA 61.A N SER 57.A O no hydrogen 2.877 N/A LYS 62.A N ILE 58.A O no hydrogen 2.862 N/A LYS 62.A NZ GLU 314.A O no hydrogen 2.766 N/A LYS 62.A NZ ARG 316.A O no hydrogen 3.239 N/A ARG 63.A N ILE 59.A O no hydrogen 2.954 N/A THR 64.A N HIS 60.A O no hydrogen 2.843 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.835 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.980 N/A TYR 65.A N ALA 61.A O no hydrogen 3.026 N/A ARG 66.A N LYS 62.A O no hydrogen 2.786 N/A ARG 66.A NE GLU 314.A OE1 no hydrogen 3.468 N/A ARG 66.A NE GLU 314.A OE2 no hydrogen 2.814 N/A ARG 66.A NH2 GLU 314.A OE1 no hydrogen 2.842 N/A GLU 67.A N ARG 63.A O no hydrogen 2.914 N/A LEU 68.A N THR 64.A O no hydrogen 3.081 N/A ARG 69.A N TYR 65.A O no hydrogen 2.814 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 3.083 N/A ARG 69.A NH2 ASP 310.A O no hydrogen 2.937 N/A LEU 70.A N ARG 66.A O no hydrogen 2.972 N/A LEU 71.A N GLU 67.A O no hydrogen 2.912 N/A LYS 72.A N LEU 68.A O no hydrogen 2.920 N/A LYS 72.A NZ GLU 330.A O no hydrogen 2.822 N/A LYS 72.A NZ GLU 330.A OE1 no hydrogen 2.695 N/A HIS 73.A N ARG 69.A O no hydrogen 3.103 N/A HIS 73.A N LEU 70.A O no hydrogen 3.061 N/A HIS 73.A NE2 ASP 307.A O no hydrogen 2.937 N/A MET 74.A N LEU 70.A O no hydrogen 3.181 N/A MET 74.A N LEU 71.A O no hydrogen 3.373 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.906 N/A GLU 77.A N GLU 77.A OE1.A no hydrogen 2.803 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 3.002 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 3.107 N/A VAL 79.A N HIS 76.A O no hydrogen 3.182 N/A ILE 80.A N ILE 162.A O no hydrogen 2.944 N/A LEU 83.A N VAL 101.A O no hydrogen 2.752 N/A ASP 84.A N VAL 101.A O no hydrogen 3.266 N/A VAL 85.A N ASP 84.A OD1 no hydrogen 2.800 N/A PHE 86.A N TYR 99.A O no hydrogen 3.050 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.716 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.339 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 3.040 N/A SER 91.A OG GLU 93.A OE1 no hydrogen 3.268 N/A GLU 94.A N SER 91.A OG no hydrogen 3.173 N/A PHE 95.A N LEU 92.A O no hydrogen 3.003 N/A TYR 99.A N PHE 86.A O no hydrogen 2.983 N/A LEU 100.A N LYS 49.A O no hydrogen 2.757 N/A VAL 101.A N ASP 84.A O no hydrogen 2.836 N/A THR 102.A N ALA 47.A O no hydrogen 2.940 N/A THR 102.A OG1 HIS 103.A O no hydrogen 2.775 N/A ALA 107.A N VAL 154.A O no hydrogen 3.170 N/A LEU 109.A N PRO 149.A O no hydrogen 3.246 N/A LEU 109.A N LEU 152.A O no hydrogen 3.113 N/A ASN 111.A N ASP 108.A OD1 no hydrogen 2.728 N/A ILE 112.A N ASP 108.A O no hydrogen 3.266 N/A VAL 113.A N LEU 109.A O no hydrogen 2.998 N/A LYS 114.A N ASN 110.A O no hydrogen 3.019 N/A CYS 115.A N ASN 111.A O no hydrogen 2.878 N/A CYS 115.A SG ASN 111.A O no hydrogen 3.442 N/A GLN 116.A N ILE 112.A O no hydrogen 3.301 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.322 N/A VAL 123.A N THR 119.A O no hydrogen 2.839 N/A GLN 124.A N ASP 120.A O no hydrogen 2.837 N/A GLN 124.A NE2 ASP 120.A OD2 no hydrogen 3.020 N/A PHE 125.A N ASP 121.A O no hydrogen 3.136 N/A LEU 126.A N HIS 122.A O no hydrogen 3.007 N/A ILE 127.A N VAL 123.A O no hydrogen 2.973 N/A TYR 128.A N GLN 124.A O no hydrogen 2.971 N/A TYR 128.A OH GLU 303.A OE2 no hydrogen 2.681 N/A GLN 129.A N PHE 125.A O no hydrogen 3.103 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 3.082 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.864 N/A ILE 130.A N LEU 126.A O no hydrogen 3.056 N/A LEU 131.A N ILE 127.A O no hydrogen 2.934 N/A ARG 132.A N TYR 128.A O no hydrogen 2.870 N/A ARG 132.A NE ASP 302.A O no hydrogen 2.857 N/A ARG 132.A NH1 GLU 77.A OE1.B no hydrogen 3.028 N/A ARG 132.A NH1 ASN 78.A OD1 no hydrogen 2.786 N/A ARG 132.A NH2 GLU 77.A OE1.B no hydrogen 3.331 N/A ARG 132.A NH2 GLU 77.A OE2.A no hydrogen 3.237 N/A ARG 132.A NH2 ASP 302.A O no hydrogen 2.917 N/A ARG 132.A NH2 ASP 302.A OD1 no hydrogen 3.078 N/A GLY 133.A N GLN 129.A O no hydrogen 3.061 N/A LEU 134.A N ILE 130.A O no hydrogen 2.870 N/A LYS 135.A N LEU 131.A O no hydrogen 2.840 N/A LYS 135.A NZ GLU 303.A O no hydrogen 2.704 N/A TYR 136.A N ARG 132.A O no hydrogen 3.354 N/A TYR 136.A OH HIS 73.A O no hydrogen 3.339 N/A ILE 137.A N GLY 133.A O no hydrogen 2.983 N/A HIS 138.A N LEU 134.A O no hydrogen 2.835 N/A HIS 138.A NE2 ASP 191.A OD2 no hydrogen 2.809 N/A SER 139.A N LYS 135.A O no hydrogen 2.995 N/A SER 139.A OG LYS 135.A O no hydrogen 3.489 N/A SER 139.A OG TYR 136.A O no hydrogen 2.676 N/A ALA 140.A N ILE 137.A O no hydrogen 3.028 N/A ASP 141.A N HIS 138.A O no hydrogen 2.903 N/A ILE 142.A N ILE 137.A O no hydrogen 3.186 N/A HIS 144.A N ASP 191.A OD2 no hydrogen 2.872 N/A HIS 144.A NE2 LEU 163.A O no hydrogen 2.792 N/A ARG 145.A N ASP 191.A OD1 no hydrogen 2.752 N/A ARG 145.A NE TYR 186.A OH no hydrogen 2.931 N/A ARG 145.A NH2 TYR 186.A OH no hydrogen 2.770 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.084 N/A LYS 148.A NZ VAL 169.A O no hydrogen 3.365 N/A LYS 148.A NZ THR 171.A OG1 no hydrogen 2.820 N/A ASN 151.A N LYS 148.A O no hydrogen 2.928 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.847 N/A LEU 152.A N PRO 149.A O no hydrogen 3.218 N/A ALA 153.A N LYS 161.A O no hydrogen 3.006 N/A VAL 154.A N ALA 107.A O no hydrogen 2.958 N/A ASN 155.A N GLU 159.A O no hydrogen 3.073 N/A ASN 155.A ND2.A GLU 159.A OE1 no hydrogen 2.874 N/A CYS 158.A N ASN 155.A O no hydrogen 2.831 N/A CYS 158.A SG HIS 122.A NE2 no hydrogen 3.316 N/A GLU 159.A N ASN 155.A OD1.A no hydrogen 2.939 N/A GLU 159.A N ASP 157.A OD1.B no hydrogen 3.187 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.860 N/A LYS 161.A N ALA 153.A O no hydrogen 2.814 N/A LYS 161.A NZ GLU 77.A O no hydrogen 2.798 N/A ILE 162.A N ASN 78.A O no hydrogen 2.844 N/A LEU 163.A N ASN 151.A O no hydrogen 3.050 N/A PHE 165.A N ASN 151.A OD1 no hydrogen 2.922 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 2.900 N/A THR 171.A OG1 ASP 146.A OD1 no hydrogen 2.710 N/A THR 171.A OG1 ASP 146.A OD2 no hydrogen 3.407 N/A ARG 172.A NE GLY 211.A O no hydrogen 2.985 N/A ARG 172.A NH2 GLY 211.A O no hydrogen 3.507 N/A TRP 173.A N ALA 170.A O no hydrogen 3.203 N/A TRP 173.A NE1 GLY 211.A O no hydrogen 2.980 N/A TYR 174.A N THR 171.A O no hydrogen 3.019 N/A TYR 174.A OH GLU 201.A OE2 no hydrogen 2.529 N/A ARG 175.A N ARG 172.A O no hydrogen 3.284 N/A ARG 175.A NH2 ARG 145.A O no hydrogen 2.666 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.884 N/A ILE 179.A N ALA 176.A O no hydrogen 3.171 N/A MET 180.A N PRO 177.A O no hydrogen 2.899 N/A TRP 183.A N GLU 178.A O no hydrogen 3.111 N/A MET 184.A N ASN 182.A OD1 no hydrogen 3.271 N/A ASN 187.A ND2 SER 279.A O no hydrogen 3.610 N/A THR 189.A N ASN 187.A OD1 no hydrogen 2.872 N/A THR 189.A OG1 ASN 187.A OD1 no hydrogen 2.197 N/A THR 189.A OG1 SER 279.A O no hydrogen 3.332 N/A VAL 190.A N ASN 187.A O no hydrogen 3.362 N/A ASP 191.A N GLN 188.A O no hydrogen 2.999 N/A TRP 193.A N THR 189.A O no hydrogen 3.239 N/A SER 194.A N VAL 190.A O no hydrogen 3.408 N/A SER 194.A OG TYR 174.A O no hydrogen 2.700 N/A SER 194.A OG VAL 190.A O no hydrogen 3.332 N/A VAL 195.A N ASP 191.A O no hydrogen 2.994 N/A GLY 196.A N ILE 192.A O no hydrogen 2.893 N/A CYS 197.A N TRP 193.A O no hydrogen 3.046 N/A CYS 197.A SG TRP 173.A O no hydrogen 4.030 N/A CYS 197.A SG TRP 193.A O no hydrogen 3.420 N/A ILE 198.A N SER 194.A O no hydrogen 2.884 N/A MET 199.A N VAL 195.A O no hydrogen 2.799 N/A ALA 200.A N GLY 196.A O no hydrogen 3.000 N/A GLU 201.A N CYS 197.A O no hydrogen 3.219 N/A LEU 202.A N ILE 198.A O no hydrogen 2.912 N/A LEU 203.A N MET 199.A O no hydrogen 3.003 N/A THR 204.A N ALA 200.A O no hydrogen 2.941 N/A THR 204.A OG1 ALA 200.A O no hydrogen 2.957 N/A GLY 205.A N GLU 201.A O no hydrogen 2.656 N/A ARG 206.A N THR 204.A OG1 no hydrogen 3.181 N/A GLY 211.A N GLN 217.A OE1 no hydrogen 2.947 N/A THR 212.A N ASP 216.A OD2 no hydrogen 2.700 N/A THR 212.A OG1 ASP 213.A OD2 no hydrogen 2.858 N/A THR 212.A OG1 ASP 216.A OD2 no hydrogen 3.202 N/A HIS 214.A ND1 MET 180.A O no hydrogen 3.053 N/A ASP 216.A N ASP 213.A OD1 no hydrogen 2.848 N/A GLN 217.A N ASP 213.A O no hydrogen 2.828 N/A GLN 217.A NE2 TRP 173.A O no hydrogen 3.552 N/A GLN 217.A NE2 PHE 209.A O no hydrogen 2.972 N/A LEU 218.A N HIS 214.A O no hydrogen 3.141 N/A LYS 219.A N ILE 215.A O no hydrogen 3.049 N/A LEU 220.A N ASP 216.A O no hydrogen 2.956 N/A ILE 221.A N GLN 217.A O no hydrogen 3.022 N/A LEU 222.A N LEU 218.A O no hydrogen 2.909 N/A ARG 223.A N LYS 219.A O no hydrogen 3.031 N/A LEU 224.A N LEU 220.A O no hydrogen 3.400 N/A LEU 224.A N ILE 221.A O no hydrogen 2.924 N/A VAL 225.A N ILE 221.A O no hydrogen 3.006 N/A GLY 226.A N LEU 222.A O no hydrogen 2.675 N/A THR 227.A N MET 251.A O no hydrogen 2.880 N/A THR 227.A OG1 MET 251.A O no hydrogen 3.220 N/A LEU 233.A N GLY 229.A O no hydrogen 2.899 N/A LYS 234.A N ALA 230.A O no hydrogen 2.734 N/A LYS 235.A N LEU 232.A O no hydrogen 2.985 N/A LYS 235.A NZ ASP 278.A OD1 no hydrogen 3.088 N/A LYS 235.A NZ ASP 278.A OD2 no hydrogen 2.813 N/A LYS 235.A NZ ASP 280.A OD2 no hydrogen 3.013 N/A ILE 236.A N LEU 233.A O no hydrogen 3.249 N/A SER 240.A OG SER 238.A OG no hydrogen 3.212 N/A ALA 241.A N SER 238.A OG no hydrogen 2.980 N/A ARG 242.A N SER 238.A O no hydrogen 2.938 N/A ARG 242.A NE ILE 236.A O no hydrogen 3.041 N/A ARG 242.A NH1 ILE 236.A O no hydrogen 2.874 N/A ASN 243.A N GLU 239.A O no hydrogen 2.728 N/A TYR 244.A N SER 240.A O no hydrogen 2.882 N/A ILE 245.A N ALA 241.A O no hydrogen 3.046 N/A GLN 246.A N ARG 242.A O no hydrogen 3.025 N/A SER 247.A N ASN 243.A O no hydrogen 2.866 N/A SER 247.A OG.A TYR 244.A O no hydrogen 2.401 N/A SER 247.A OG.B ASN 243.A O no hydrogen 2.852 N/A LEU 248.A N ILE 245.A O no hydrogen 3.223 N/A MET 251.A N THR 227.A OG1 no hydrogen 3.005 N/A LYS 253.A NZ MET 254.A O no hydrogen 3.006 N/A LYS 253.A NZ GLU 272.A OE1 no hydrogen 2.631 N/A LYS 253.A NZ GLU 272.A OE2 no hydrogen 3.398 N/A MET 254.A N LEU 224.A O no hydrogen 2.956 N/A ALA 257.A N ASN 255.A OD1 no hydrogen 3.029 N/A ASN 258.A N ASN 255.A O no hydrogen 2.917 N/A VAL 259.A N PHE 256.A O no hydrogen 2.909 N/A PHE 260.A N PHE 256.A O no hydrogen 2.822 N/A ALA 263.A N PHE 260.A O no hydrogen 3.099 N/A ASN 264.A ND2 ASP 120.A OD2 no hydrogen 2.734 N/A LEU 266.A N ASN 264.A OD1 no hydrogen 2.897 N/A VAL 268.A N ASN 264.A O no hydrogen 3.015 N/A ASP 269.A N PRO 265.A O no hydrogen 2.912 N/A LEU 270.A N LEU 266.A O no hydrogen 3.105 N/A LEU 271.A N ALA 267.A O no hydrogen 2.959 N/A GLU 272.A N VAL 268.A O no hydrogen 2.978 N/A LYS 273.A N ASP 269.A O no hydrogen 3.182 N/A LYS 273.A N LEU 270.A O no hydrogen 2.866 N/A LYS 273.A NZ ASP 269.A OD1 no hydrogen 3.288 N/A LYS 273.A NZ ASP 269.A OD2 no hydrogen 2.991 N/A MET 274.A N LEU 270.A O no hydrogen 2.935 N/A LEU 275.A N LEU 271.A O no hydrogen 2.876 N/A ASP 280.A N ASP 278.A OD1 no hydrogen 2.962 N/A LYS 281.A N ASP 278.A O no hydrogen 2.914 N/A LYS 281.A NZ GLU 231.A OE2 no hydrogen 3.283 N/A ARG 282.A NE VAL 276.A O no hydrogen 2.936 N/A ARG 282.A NH1 GLU 178.A OE2 no hydrogen 2.771 N/A ARG 282.A NH1 THR 189.A O no hydrogen 3.177 N/A ARG 282.A NH2 GLU 178.A OE1 no hydrogen 3.147 N/A ARG 282.A NH2 VAL 276.A O no hydrogen 2.759 N/A ILE 283.A N LYS 273.A O no hydrogen 3.136 N/A THR 284.A N GLN 287.A OE1 no hydrogen 3.050 N/A GLN 287.A N THR 284.A OG1 no hydrogen 3.105 N/A ALA 288.A N THR 284.A O no hydrogen 2.935 N/A LEU 289.A N ALA 285.A O no hydrogen 3.043 N/A ALA 290.A N GLN 287.A O no hydrogen 3.180 N/A HIS 291.A N ALA 288.A O no hydrogen 2.936 N/A HIS 291.A NE2 ASP 269.A OD2 no hydrogen 2.596 N/A TYR 293.A N HIS 291.A ND1 no hydrogen 3.089 N/A TYR 293.A OH ASP 120.A OD1 no hydrogen 2.738 N/A PHE 294.A N HIS 291.A O no hydrogen 3.052 N/A ALA 295.A N ALA 292.A O no hydrogen 3.092 N/A GLN 296.A NE2 ASP 121.A OD1 no hydrogen 3.098 N/A GLN 296.A NE2 GLN 124.A OE1 no hydrogen 2.732 N/A TYR 297.A N PHE 294.A O no hydrogen 2.817 N/A TYR 297.A OH ASP 121.A OD1 no hydrogen 2.942 N/A HIS 298.A N PHE 294.A O no hydrogen 2.930 N/A HIS 298.A ND1 GLU 303.A OE2 no hydrogen 2.763 N/A ASP 299.A N GLU 303.A OE2 no hydrogen 3.171 N/A ASP 301.A N ASP 299.A OD1 no hydrogen 3.058 N/A ASP 302.A N ASP 299.A O no hydrogen 2.770 N/A ALA 306.A N SER 139.A OG no hydrogen 2.785 N/A GLN 311.A NE2 ASP 141.A O no hydrogen 2.402 N/A SER 312.A N ASP 310.A OD1 no hydrogen 2.957 N/A SER 312.A OG ASP 310.A OD1 no hydrogen 2.793 N/A GLU 314.A N GLN 311.A O no hydrogen 2.969 N/A SER 315.A N SER 312.A O no hydrogen 3.198 N/A SER 315.A OG SER 312.A O no hydrogen 3.058 N/A ARG 316.A N PHE 313.A O no hydrogen 2.956 N/A LEU 319.A N GLU 322.A OE2 no hydrogen 3.007 N/A TRP 323.A N LEU 319.A O no hydrogen 2.959 N/A LYS 324.A N ILE 320.A O no hydrogen 2.803 N/A LYS 324.A NZ PHE 95.A O no hydrogen 2.949 N/A SER 325.A N ASP 321.A O no hydrogen 2.849 N/A LEU 326.A N GLU 322.A O no hydrogen 3.021 N/A THR 327.A N TRP 323.A O no hydrogen 2.939 N/A THR 327.A OG1 TRP 323.A O no hydrogen 2.856 N/A TYR 328.A N LYS 324.A O no hydrogen 2.995 N/A ASP 329.A N SER 325.A O no hydrogen 2.962 N/A GLU 330.A N LEU 326.A O no hydrogen 3.073 N/A VAL 331.A N THR 327.A O no hydrogen 2.959 N/A ILE 332.A N TYR 328.A O no hydrogen 2.964 N/A SER 333.A N ASP 329.A O no hydrogen 2.892 N/A SER 333.A OG ASP 329.A O no hydrogen 3.227 N/A SER 333.A OG GLU 330.A O no hydrogen 3.513 N/A PHE 334.A N VAL 331.A O no hydrogen 3.211 N/A