Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4muw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLU 4.A OE2 no hydrogen 3.449 N/A GLN 6.A N SER 2.A O no hydrogen 3.020 N/A GLN 6.A NE2 PHE 52.A O no hydrogen 3.404 N/A GLY 7.A N GLU 4.A O no hydrogen 3.197 N/A CYS 18.A N PRO 14.A O no hydrogen 2.949 N/A CYS 18.A SG TYR 41.A OH no hydrogen 3.107 N/A LYS 19.A N VAL 15.A O no hydrogen 3.307 N/A GLU 20.A N ARG 16.A O no hydrogen 3.146 N/A ILE 21.A N LEU 17.A O no hydrogen 2.979 N/A LEU 23.A N GLU 20.A O no hydrogen 2.906 N/A PHE 26.A N LEU 23.A O no hydrogen 3.255 N/A GLY 29.A N ASP 27.A OD2 no hydrogen 2.864 N/A MET 34.A N PHE 31.A O no hydrogen 3.150 N/A TRP 35.A N GLU 32.A O no hydrogen 3.095 N/A TRP 35.A NE1 ILE 28.A O no hydrogen 3.161 N/A TRP 35.A NE1 GLY 29.A O no hydrogen 3.058 N/A ILE 38.A N MET 34.A O no hydrogen 2.905 N/A PHE 39.A N TRP 35.A O no hydrogen 2.909 N/A VAL 40.A N PRO 36.A O no hydrogen 2.887 N/A TYR 41.A N GLY 37.A O no hydrogen 2.946 N/A MET 42.A N ILE 38.A O no hydrogen 3.224 N/A VAL 43.A N PHE 39.A O no hydrogen 2.924 N/A HIS 44.A N VAL 40.A O no hydrogen 2.925 N/A ARG 45.A N TYR 41.A O no hydrogen 2.941 N/A ARG 45.A NE TYR 87.A OH no hydrogen 3.297 N/A SER 46.A N MET 42.A O no hydrogen 2.976 N/A SER 46.A OG MET 42.A O no hydrogen 3.157 N/A CYS 47.A N VAL 43.A O no hydrogen 2.939 N/A CYS 51.A N GLY 48.A O no hydrogen 3.321 N/A CYS 51.A SG GLY 48.A O no hydrogen 3.811 N/A LYS 56.A NZ ASN 158.A O no hydrogen 3.354 N/A LYS 56.A NZ SER 161.A OG no hydrogen 2.690 N/A LEU 57.A N GLU 53.A O no hydrogen 2.935 N/A CYS 58.A N LEU 54.A O no hydrogen 2.979 N/A CYS 58.A SG LEU 54.A O no hydrogen 3.858 N/A ARG 59.A N GLU 55.A O no hydrogen 3.092 N/A ARG 59.A NH1 GLY 156.A O no hydrogen 2.837 N/A PHE 60.A N LYS 56.A O no hydrogen 2.979 N/A ILE 61.A N LEU 57.A O no hydrogen 3.006 N/A MET 62.A N CYS 58.A O no hydrogen 2.940 N/A SER 63.A N ARG 59.A O no hydrogen 3.059 N/A SER 63.A OG ARG 59.A O no hydrogen 3.482 N/A SER 63.A OG HIS 157.A NE2 no hydrogen 2.746 N/A VAL 64.A N PHE 60.A O no hydrogen 2.948 N/A LYS 65.A N ILE 61.A O no hydrogen 2.910 N/A LYS 66.A N MET 62.A O no hydrogen 2.909 N/A ASN 67.A N SER 63.A O no hydrogen 3.112 N/A ASN 67.A N VAL 64.A O no hydrogen 3.056 N/A ASN 67.A ND2 SER 63.A O no hydrogen 2.850 N/A TYR 68.A N LYS 65.A O no hydrogen 3.106 N/A TYR 68.A OH LEU 110.A O no hydrogen 2.757 N/A ARG 69.A NE ASP 115.A OD1 no hydrogen 2.655 N/A ARG 69.A NH2 ASP 115.A OD1 no hydrogen 3.047 N/A TYR 73.A N GLU 244.A OE2 no hydrogen 2.956 N/A HIS 74.A N GLU 244.A OE2 no hydrogen 2.680 N/A HIS 74.A ND1 GLU 244.A OE1 no hydrogen 3.054 N/A ASN 75.A N TYR 73.A O no hydrogen 2.688 N/A ASN 75.A ND2 VAL 71.A O no hydrogen 2.823 N/A HIS 78.A N ASN 75.A OD1 no hydrogen 3.263 N/A HIS 78.A NE2 ASP 223.A OD1 no hydrogen 3.081 N/A ALA 79.A N ASN 75.A O no hydrogen 3.161 N/A VAL 80.A N TRP 76.A O no hydrogen 3.138 N/A THR 81.A N LYS 77.A O no hydrogen 2.984 N/A THR 81.A OG1 LYS 77.A O no hydrogen 2.850 N/A VAL 82.A N HIS 78.A O no hydrogen 2.880 N/A ALA 83.A N ALA 79.A O no hydrogen 2.985 N/A HIS 84.A N VAL 80.A O no hydrogen 2.980 N/A HIS 84.A NE2 ILE 21.A O no hydrogen 2.692 N/A CYS 85.A N THR 81.A O no hydrogen 3.238 N/A MET 86.A N VAL 82.A O no hydrogen 3.164 N/A TYR 87.A N ALA 83.A O no hydrogen 3.000 N/A TYR 87.A OH GLU 22.A OE2 no hydrogen 2.503 N/A ALA 88.A N HIS 84.A O no hydrogen 2.906 N/A ILE 89.A N CYS 85.A O no hydrogen 2.932 N/A LEU 90.A N MET 86.A O no hydrogen 2.899 N/A GLN 91.A N TYR 87.A O no hydrogen 2.869 N/A ASN 92.A N ALA 88.A O no hydrogen 3.149 N/A ASN 92.A ND2 ALA 88.A O no hydrogen 2.575 N/A ASN 93.A N LEU 90.A O no hydrogen 3.220 N/A ASN 93.A ND2 ILE 89.A O no hydrogen 2.898 N/A LEU 96.A N ASN 93.A O no hydrogen 3.137 N/A THR 98.A N GLU 101.A OE1 no hydrogen 2.959 N/A GLU 101.A N THR 98.A OG1 no hydrogen 3.121 N/A ARG 102.A N THR 98.A O no hydrogen 3.181 N/A ARG 102.A N ASP 99.A O no hydrogen 3.215 N/A ARG 102.A NH2 ASP 99.A OD1 no hydrogen 3.058 N/A LYS 103.A N ASP 99.A O no hydrogen 3.012 N/A GLY 104.A N LEU 100.A O no hydrogen 2.780 N/A LEU 105.A N GLU 101.A O no hydrogen 3.060 N/A LEU 106.A N ARG 102.A O no hydrogen 3.531 N/A ILE 107.A N LYS 103.A O no hydrogen 3.449 N/A ALA 108.A N GLY 104.A O no hydrogen 2.787 N/A CYS 109.A N LEU 105.A O no hydrogen 2.899 N/A CYS 109.A SG LEU 105.A O no hydrogen 3.397 N/A LEU 110.A N LEU 106.A O no hydrogen 3.054 N/A CYS 111.A N ILE 107.A O no hydrogen 3.074 N/A CYS 111.A N ALA 108.A O no hydrogen 3.079 N/A CYS 111.A SG ILE 107.A O no hydrogen 3.382 N/A HIS 112.A N CYS 109.A O no hydrogen 3.236 N/A HIS 112.A ND1 CYS 109.A O no hydrogen 2.547 N/A HIS 112.A NE2 ASP 223.A OD1 no hydrogen 2.987 N/A ASP 113.A N TYR 68.A OH no hydrogen 3.032 N/A LEU 114.A N CYS 111.A O no hydrogen 3.180 N/A HIS 116.A N ASP 113.A O no hydrogen 3.166 N/A ARG 117.A NH2 ASP 115.A O no hydrogen 2.666 N/A ARG 117.A NH2 ASP 115.A OD2 no hydrogen 2.674 N/A ARG 117.A NH2 HIS 143.A NE2 no hydrogen 3.466 N/A GLY 118.A N HIS 116.A ND1 no hydrogen 3.007 N/A SER 120.A N GLU 248.A OE1 no hydrogen 2.892 N/A SER 120.A OG GLU 248.A OE2 no hydrogen 2.522 N/A ASN 121.A ND2 GLU 141.A OE1 no hydrogen 2.964 N/A TYR 123.A N SER 120.A O no hydrogen 3.126 N/A TYR 123.A N SER 120.A OG no hydrogen 3.112 N/A LEU 124.A N SER 120.A O no hydrogen 3.310 N/A GLN 125.A N ASN 121.A O no hydrogen 3.114 N/A LYS 126.A N SER 122.A O no hydrogen 3.148 N/A LYS 126.A NZ GLN 125.A OE1 no hydrogen 3.569 N/A PHE 127.A N TYR 123.A O no hydrogen 2.765 N/A ASP 128.A N GLN 125.A O no hydrogen 3.087 N/A HIS 129.A N LEU 124.A O no hydrogen 2.957 N/A LEU 131.A N HIS 129.A ND1 no hydrogen 3.130 N/A ALA 132.A N HIS 129.A O no hydrogen 2.952 N/A ALA 133.A N PRO 130.A O no hydrogen 3.212 N/A LEU 134.A N PRO 130.A O no hydrogen 3.270 N/A TYR 135.A N LEU 131.A O no hydrogen 2.863 N/A SER 138.A OG ASP 183.A OD2 no hydrogen 2.511 N/A THR 139.A OG1 TYR 135.A O no hydrogen 2.753 N/A MET 140.A N ASN 121.A OD1 no hydrogen 2.775 N/A GLN 142.A N SER 138.A O no hydrogen 3.024 N/A GLN 142.A NE2 THR 137.A O no hydrogen 2.944 N/A HIS 143.A N THR 139.A O no hydrogen 3.361 N/A HIS 143.A NE2 ASP 115.A OD2 no hydrogen 2.639 N/A HIS 144.A N MET 140.A O no hydrogen 2.837 N/A HIS 144.A ND1 LEU 114.A O no hydrogen 2.726 N/A PHE 145.A N GLU 141.A O no hydrogen 3.191 N/A SER 146.A N GLN 142.A O no hydrogen 2.878 N/A GLN 147.A N HIS 143.A O no hydrogen 2.861 N/A THR 148.A N HIS 144.A O no hydrogen 3.119 N/A THR 148.A OG1 HIS 144.A O no hydrogen 2.772 N/A VAL 149.A N PHE 145.A O no hydrogen 2.976 N/A SER 150.A N SER 146.A O no hydrogen 3.101 N/A SER 150.A OG SER 146.A O no hydrogen 2.946 N/A ILE 151.A N GLN 147.A O no hydrogen 2.976 N/A LEU 152.A N THR 148.A O no hydrogen 3.097 N/A GLN 153.A N VAL 149.A O no hydrogen 3.016 N/A LEU 154.A N ILE 151.A O no hydrogen 3.137 N/A HIS 157.A N LEU 154.A O no hydrogen 3.075 N/A HIS 157.A ND1 GLU 155.A O no hydrogen 2.737 N/A HIS 157.A NE2 SER 63.A OG no hydrogen 2.746 N/A ILE 159.A N HIS 157.A O no hydrogen 2.910 N/A PHE 160.A N ASN 158.A OD1 no hydrogen 2.994 N/A SER 161.A N ASN 158.A O no hydrogen 3.054 N/A SER 161.A OG ASN 158.A O no hydrogen 3.322 N/A LEU 163.A N PHE 160.A O no hydrogen 3.278 N/A SER 164.A OG GLU 167.A OE1 no hydrogen 3.204 N/A GLU 167.A N SER 164.A OG no hydrogen 3.069 N/A TYR 168.A N SER 164.A O no hydrogen 2.894 N/A GLU 169.A N SER 165.A O no hydrogen 3.018 N/A GLN 170.A N SER 166.A O no hydrogen 3.275 N/A VAL 171.A N GLU 167.A O no hydrogen 2.845 N/A LEU 172.A N TYR 168.A O no hydrogen 3.031 N/A GLU 173.A N GLU 169.A O no hydrogen 3.009 N/A ILE 174.A N GLN 170.A O no hydrogen 2.977 N/A ILE 175.A N VAL 171.A O no hydrogen 2.984 N/A ARG 176.A N LEU 172.A O no hydrogen 2.757 N/A ARG 176.A NE GLU 173.A OE1 no hydrogen 2.776 N/A ARG 176.A NH1 GLU 173.A OE2 no hydrogen 2.792 N/A LYS 177.A N GLU 173.A O no hydrogen 2.891 N/A LYS 177.A NZ ASP 212.A OD1 no hydrogen 3.347 N/A LYS 177.A NZ ASP 212.A OD2 no hydrogen 2.923 N/A ALA 178.A N ILE 174.A O no hydrogen 3.078 N/A ILE 179.A N ILE 175.A O no hydrogen 3.087 N/A ILE 180.A N ARG 176.A O no hydrogen 3.029 N/A ALA 181.A N LYS 177.A O no hydrogen 2.931 N/A THR 182.A N ILE 179.A O no hydrogen 3.119 N/A THR 182.A OG1 ILE 179.A O no hydrogen 2.606 N/A ASP 183.A N ILE 180.A O no hydrogen 3.113 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 3.224 N/A LEU 186.A N ASP 183.A O no hydrogen 2.879 N/A TYR 187.A N LEU 184.A O no hydrogen 2.994 N/A ASN 190.A N LEU 186.A O no hydrogen 3.162 N/A ASN 190.A ND2 ARG 213.A O no hydrogen 2.955 N/A ARG 191.A N TYR 187.A O no hydrogen 2.834 N/A ARG 191.A NH2 THR 289.A OG1 no hydrogen 3.127 N/A LYS 192.A N PHE 188.A O no hydrogen 3.320 N/A GLN 193.A N GLY 189.A O no hydrogen 3.194 N/A LEU 194.A N ASN 190.A O no hydrogen 3.043 N/A GLU 195.A N ARG 191.A O no hydrogen 2.769 N/A GLU 196.A N LYS 192.A O no hydrogen 3.158 N/A MET 197.A N GLN 193.A O no hydrogen 3.077 N/A TYR 198.A N LEU 194.A O no hydrogen 2.843 N/A GLN 199.A N GLU 195.A O no hydrogen 3.085 N/A GLN 199.A NE2 GLU 195.A OE2 no hydrogen 3.264 N/A THR 200.A N GLU 196.A O no hydrogen 2.977 N/A THR 200.A OG1 GLU 196.A O no hydrogen 3.344 N/A THR 200.A OG1 MET 197.A O no hydrogen 3.510 N/A GLY 201.A N TYR 198.A O no hydrogen 3.371 N/A SER 202.A OG THR 200.A OG1 no hydrogen 3.376 N/A LEU 203.A N MET 197.A O no hydrogen 3.011 N/A ASN 204.A N HIS 210.A ND1 no hydrogen 3.273 N/A ASN 206.A N ASN 204.A OD1 no hydrogen 2.782 N/A ASN 206.A ND2 ASN 204.A OD1 no hydrogen 2.986 N/A ASN 207.A N ASN 204.A O no hydrogen 3.302 N/A GLN 208.A NE2 ASP 212.A OD1 no hydrogen 2.724 N/A SER 209.A OG ASN 207.A OD1 no hydrogen 2.847 N/A HIS 210.A N ASN 207.A OD1 no hydrogen 3.330 N/A ARG 211.A N ASN 207.A O no hydrogen 3.020 N/A ARG 211.A NE GLU 101.A OE2 no hydrogen 2.627 N/A ARG 211.A NH1 LEU 205.A O no hydrogen 3.027 N/A ARG 211.A NH2 LEU 96.A O no hydrogen 2.827 N/A ARG 211.A NH2 GLU 101.A OE1 no hydrogen 2.830 N/A ARG 211.A NH2 GLU 101.A OE2 no hydrogen 3.490 N/A ASP 212.A N GLN 208.A O no hydrogen 2.902 N/A ARG 213.A N SER 209.A O no hydrogen 3.234 N/A ARG 213.A NH1 ASN 190.A OD1 no hydrogen 3.215 N/A VAL 214.A N HIS 210.A O no hydrogen 2.996 N/A ILE 215.A N ARG 211.A O no hydrogen 2.882 N/A GLY 216.A N ASP 212.A O no hydrogen 2.712 N/A LEU 217.A N ARG 213.A O no hydrogen 2.918 N/A MET 218.A N VAL 214.A O no hydrogen 2.774 N/A MET 219.A N ILE 215.A O no hydrogen 2.878 N/A THR 220.A N GLY 216.A O no hydrogen 2.987 N/A THR 220.A OG1 GLY 216.A O no hydrogen 3.505 N/A ALA 221.A N LEU 217.A O no hydrogen 2.894 N/A CYS 222.A N MET 218.A O no hydrogen 2.988 N/A CYS 222.A SG MET 218.A O no hydrogen 3.217 N/A ASP 223.A N MET 219.A O no hydrogen 2.873 N/A LEU 224.A N THR 220.A O no hydrogen 3.051 N/A CYS 225.A N CYS 222.A O no hydrogen 3.121 N/A CYS 225.A SG CYS 222.A O no hydrogen 3.217 N/A VAL 227.A N LEU 224.A O no hydrogen 2.993 N/A THR 228.A N CYS 225.A O no hydrogen 2.570 N/A THR 228.A OG1 CYS 225.A O no hydrogen 2.624 N/A LYS 229.A NZ PHE 24.A O no hydrogen 3.279 N/A LYS 229.A NZ PHE 26.A O no hydrogen 2.861 N/A VAL 233.A N LEU 230.A O no hydrogen 3.097 N/A THR 234.A N LEU 230.A O no hydrogen 3.106 N/A THR 234.A OG1 SER 226.A O no hydrogen 3.017 N/A THR 234.A OG1 LYS 229.A O no hydrogen 3.161 N/A THR 234.A OG1 LEU 230.A O no hydrogen 3.218 N/A LYS 235.A N TRP 231.A O no hydrogen 2.891 N/A LEU 236.A N PRO 232.A O no hydrogen 3.264 N/A THR 237.A N VAL 233.A O no hydrogen 2.873 N/A THR 237.A OG1 VAL 233.A O no hydrogen 2.876 N/A ALA 238.A N THR 234.A O no hydrogen 2.929 N/A ASN 239.A N LEU 236.A O no hydrogen 3.137 N/A ASP 240.A N THR 237.A O no hydrogen 2.825 N/A ILE 241.A N THR 237.A O no hydrogen 3.232 N/A TYR 242.A N ALA 238.A O no hydrogen 3.141 N/A ALA 243.A N ASN 239.A O no hydrogen 2.973 N/A GLU 244.A N ASP 240.A O no hydrogen 3.357 N/A PHE 245.A N ILE 241.A O no hydrogen 3.139 N/A TRP 246.A N TYR 242.A O no hydrogen 2.774 N/A ALA 247.A N ALA 243.A O no hydrogen 3.196 N/A GLU 248.A N GLU 244.A O no hydrogen 2.997 N/A GLY 249.A N PHE 245.A O no hydrogen 2.854 N/A ASP 250.A N TRP 246.A O no hydrogen 2.788 N/A GLU 251.A N ALA 247.A O no hydrogen 3.115 N/A MET 252.A N GLU 248.A O no hydrogen 2.864 N/A LYS 253.A N GLY 249.A O no hydrogen 3.010 N/A LYS 253.A NZ ASP 264.A OD1 no hydrogen 2.747 N/A LYS 254.A N ASP 250.A O no hydrogen 3.063 N/A LYS 254.A NZ GLU 251.A OE2 no hydrogen 2.701 N/A LEU 255.A N GLU 251.A O no hydrogen 3.081 N/A GLY 256.A N LYS 253.A O no hydrogen 2.844 N/A ILE 257.A N MET 252.A O no hydrogen 3.004 N/A GLN 258.A NE2 PRO 259.A O no hydrogen 3.492 N/A MET 263.A N ILE 260.A O no hydrogen 2.985 N/A ASP 264.A N PRO 261.A O no hydrogen 3.227 N/A ARG 265.A NE ASP 250.A OD1 no hydrogen 3.055 N/A ARG 265.A NE ASP 250.A OD2 no hydrogen 3.292 N/A ARG 265.A NH2 ASP 250.A OD2 no hydrogen 2.932 N/A ASP 266.A N ASP 264.A OD1 no hydrogen 3.222 N/A LYS 267.A N ASP 264.A O no hydrogen 2.942 N/A LYS 268.A N ARG 265.A O no hydrogen 3.212 N/A GLU 270.A N LYS 267.A O no hydrogen 3.147 N/A VAL 271.A N LYS 268.A O no hydrogen 3.275 N/A GLY 274.A N GLU 270.A O no hydrogen 2.930 N/A GLN 275.A N VAL 271.A O no hydrogen 2.763 N/A GLN 275.A NE2 TYR 242.A OH no hydrogen 3.483 N/A LEU 276.A N PRO 272.A O no hydrogen 2.979 N/A GLY 277.A N GLN 273.A O no hydrogen 2.771 N/A PHE 278.A N GLY 274.A O no hydrogen 3.154 N/A TYR 279.A N GLN 275.A O no hydrogen 2.961 N/A ASN 280.A N LEU 276.A O no hydrogen 3.107 N/A ALA 281.A N GLY 277.A O no hydrogen 2.942 N/A VAL 282.A N PHE 278.A O no hydrogen 2.697 N/A ALA 283.A N PHE 278.A O no hydrogen 3.175 N/A ILE 284.A N TYR 279.A O no hydrogen 2.904 N/A CYS 286.A N VAL 282.A O no hydrogen 3.197 N/A TYR 287.A N ALA 283.A O no hydrogen 3.100 N/A TYR 287.A OH ALA 221.A O no hydrogen 2.653 N/A THR 288.A N ILE 284.A O no hydrogen 2.844 N/A THR 288.A OG1 ILE 284.A O no hydrogen 2.586 N/A THR 289.A N PRO 285.A O no hydrogen 3.130 N/A THR 289.A OG1 GLU 195.A OE1 no hydrogen 3.281 N/A THR 289.A OG1 PRO 285.A O no hydrogen 2.746 N/A LEU 290.A N CYS 286.A O no hydrogen 2.942 N/A THR 291.A N TYR 287.A O no hydrogen 2.759 N/A THR 291.A OG1 TYR 287.A O no hydrogen 2.937 N/A GLN 292.A N THR 288.A O no hydrogen 3.080 N/A ILE 293.A N THR 289.A O no hydrogen 3.026 N/A LEU 294.A N LEU 290.A O no hydrogen 2.654 N/A THR 297.A N LEU 294.A O no hydrogen 2.949 N/A THR 297.A OG1 LEU 294.A O no hydrogen 2.760 N/A GLU 298.A N PRO 295.A O no hydrogen 3.152 N/A LEU 300.A N THR 297.A O no hydrogen 3.105 N/A LYS 302.A N GLU 298.A O no hydrogen 2.949 N/A LYS 302.A NZ ASP 306.A OD2 no hydrogen 3.283 N/A ALA 303.A N PRO 299.A O no hydrogen 2.990 N/A CYS 304.A N LEU 300.A O no hydrogen 2.901 N/A ARG 305.A N LEU 301.A O no hydrogen 2.807 N/A ASP 306.A N LYS 302.A O no hydrogen 3.090 N/A ASN 307.A N ALA 303.A O no hydrogen 3.150 N/A ASN 307.A ND2 VAL 227.A O no hydrogen 2.957 N/A ASN 307.A ND2 LYS 229.A O no hydrogen 2.858 N/A LEU 308.A N CYS 304.A O no hydrogen 3.169 N/A SER 309.A N ARG 305.A O no hydrogen 3.132 N/A GLN 310.A N ASP 306.A O no hydrogen 3.129 N/A TRP 311.A N ASN 307.A O no hydrogen 3.000 N/A GLU 312.A N LEU 308.A O no hydrogen 3.209 N/A LYS 313.A N SER 309.A O no hydrogen 3.132 N/A VAL 314.A N GLN 310.A O no hydrogen 3.159 N/A VAL 314.A N TRP 311.A O no hydrogen 3.206 N/A ILE 315.A N TRP 311.A O no hydrogen 2.983 N/A ARG 316.A N GLU 312.A O no hydrogen 3.007 N/A ARG 316.A NH2 GLU 318.A OE2 no hydrogen 2.698 N/A GLY 317.A N LYS 313.A O no hydrogen 3.241 N/A GLU 318.A N LYS 313.A O no hydrogen 2.848 N/A