Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2abj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 PHE 5.A O no hydrogen 2.780 N/A ALA 7.A N GLU 116.A OE1 no hydrogen 2.641 N/A ASP 9.A N LYS 6.A O no hydrogen 2.849 N/A LEU 10.A N ALA 7.A O no hydrogen 3.077 N/A ILE 11.A N PRO 51.A O no hydrogen 2.918 N/A THR 13.A N ILE 53.A O no hydrogen 2.731 N/A ALA 15.A N HIS 36.A NE2 no hydrogen 2.938 N/A LYS 19.A N ASP 35.A OD1 no hydrogen 2.929 N/A LYS 19.A NZ PHE 33.A O no hydrogen 3.001 N/A LYS 19.A NZ THR 34.A O no hydrogen 2.610 N/A ASN 25.A N ASP 23.A OD1 no hydrogen 3.307 N/A ASN 26.A N ASP 23.A O no hydrogen 3.007 N/A THR 31.A N VAL 28.A O no hydrogen 3.421 N/A THR 31.A OG1 VAL 28.A O no hydrogen 2.893 N/A THR 34.A N LEU 167.A O no hydrogen 3.244 N/A THR 34.A OG1 HIS 36.A O no hydrogen 3.399 N/A THR 34.A OG1 ASP 128.A OD2 no hydrogen 2.771 N/A HIS 36.A N ASP 128.A OD2 no hydrogen 2.924 N/A HIS 36.A ND1 ASP 128.A OD1 no hydrogen 2.744 N/A MET 37.A N LYS 54.A O no hydrogen 2.742 N/A LEU 38.A N VAL 165.A O no hydrogen 3.207 N/A THR 39.A N HIS 52.A O no hydrogen 2.779 N/A VAL 40.A N LEU 163.A O no hydrogen 2.790 N/A TRP 42.A N ALA 161.A O no hydrogen 2.951 N/A SER 43.A N GLY 47.A O no hydrogen 3.160 N/A SER 44.A N THR 159.A O no hydrogen 2.912 N/A PHE 46.A N SER 43.A OG no hydrogen 3.123 N/A GLY 47.A N SER 43.A O no hydrogen 2.746 N/A TRP 48.A N VAL 2.A O no hydrogen 3.283 N/A TRP 48.A NE1 VAL 111.A O no hydrogen 2.808 N/A GLU 49.A N GLU 41.A O no hydrogen 2.872 N/A HIS 52.A N THR 39.A O no hydrogen 2.802 N/A ILE 53.A N ILE 11.A O no hydrogen 2.983 N/A LYS 54.A N MET 37.A O no hydrogen 2.985 N/A LEU 56.A N ASP 35.A O no hydrogen 2.789 N/A GLY 64.A N HIS 62.A ND1 no hydrogen 2.901 N/A SER 65.A N HIS 62.A O no hydrogen 2.977 N/A SER 65.A OG HIS 62.A O no hydrogen 2.578 N/A ALA 67.A N GLY 148.A O no hydrogen 3.048 N/A LEU 68.A N SER 65.A O no hydrogen 2.794 N/A HIS 69.A N SER 66.A O no hydrogen 3.271 N/A HIS 69.A NE2 PRO 63.A O no hydrogen 2.792 N/A TYR 70.A N SER 66.A O no hydrogen 2.790 N/A TYR 70.A OH LEU 153.A O no hydrogen 2.431 N/A LEU 74.A N PHE 146.A O no hydrogen 2.923 N/A PHE 75.A N LYS 202.A O no hydrogen 3.147 N/A GLU 76.A N PRO 144.A O no hydrogen 2.781 N/A GLY 77.A N GLU 76.A OE2 no hydrogen 3.252 N/A LEU 78.A N ILE 142.A O no hydrogen 3.221 N/A LYS 79.A NZ THR 313.A O no hydrogen 3.077 N/A LYS 79.A NZ ALA 314.A O no hydrogen 2.733 N/A ALA 80.A N LEU 140.A O no hydrogen 2.925 N/A PHE 81.A N ARG 89.A O no hydrogen 2.799 N/A ARG 82.A NH1 VAL 132.A O no hydrogen 1.966 N/A ARG 82.A NH2 GLN 129.A O no hydrogen 3.013 N/A GLY 83.A N LYS 87.A O no hydrogen 2.682 N/A VAL 84.A N TYR 354.A O no hydrogen 2.842 N/A ASN 86.A N GLY 83.A O no hydrogen 2.866 N/A LYS 87.A N ASP 85.A OD2 no hydrogen 3.220 N/A ARG 89.A N PHE 81.A O no hydrogen 2.791 N/A ARG 89.A NH1 ASP 85.A OD1 no hydrogen 3.487 N/A ARG 89.A NH2 ASP 85.A OD1 no hydrogen 3.418 N/A ARG 89.A NH2 ASP 85.A OD2 no hydrogen 2.466 N/A LEU 90.A N ILE 363.A O no hydrogen 2.803 N/A GLN 92.A N TRP 361.A O no hydrogen 2.700 N/A LEU 95.A N GLN 92.A O no hydrogen 3.131 N/A ASN 96.A ND2 GLN 92.A O no hydrogen 3.316 N/A MET 97.A N PRO 93.A O no hydrogen 3.091 N/A ASP 98.A N ASN 94.A O no hydrogen 2.939 N/A ARG 99.A N LEU 95.A O no hydrogen 3.042 N/A ARG 99.A NE GLU 76.A OE1 no hydrogen 2.717 N/A ARG 99.A NE GLU 76.A OE2 no hydrogen 3.390 N/A ARG 99.A NH1 PRO 267.A O no hydrogen 3.248 N/A ARG 99.A NH2 GLU 76.A OE1 no hydrogen 3.568 N/A ARG 99.A NH2 GLU 76.A OE2 no hydrogen 2.617 N/A MET 100.A N ASN 96.A O no hydrogen 2.920 N/A TYR 101.A N MET 97.A O no hydrogen 3.031 N/A ARG 102.A N ASP 98.A O no hydrogen 3.141 N/A SER 103.A N ARG 99.A O no hydrogen 2.899 N/A SER 103.A OG ARG 99.A O no hydrogen 2.937 N/A ALA 104.A N MET 100.A O no hydrogen 2.902 N/A VAL 105.A N TYR 101.A O no hydrogen 3.112 N/A ARG 106.A N ARG 102.A O no hydrogen 3.129 N/A ARG 106.A NH2 GLY 197.A O no hydrogen 3.016 N/A ARG 106.A NH2 ASP 200.A OD1 no hydrogen 2.722 N/A ALA 107.A N SER 103.A O no hydrogen 2.874 N/A THR 108.A N VAL 105.A O no hydrogen 3.334 N/A THR 108.A OG1 ALA 107.A O no hydrogen 2.597 N/A LEU 109.A N ALA 104.A O no hydrogen 2.925 N/A ASP 113.A N THR 4.A OG1 no hydrogen 3.052 N/A LYS 114.A NZ ASP 98.A OD1 no hydrogen 2.886 N/A GLU 115.A N ASP 113.A OD1 no hydrogen 3.043 N/A GLU 116.A N ASP 113.A OD1 no hydrogen 3.387 N/A LEU 117.A N ASP 113.A O no hydrogen 3.115 N/A LEU 118.A N LYS 114.A O no hydrogen 3.052 N/A GLU 119.A N GLU 115.A O no hydrogen 2.975 N/A CYS 120.A N GLU 116.A O no hydrogen 3.006 N/A CYS 120.A SG GLU 116.A O no hydrogen 3.355 N/A ILE 121.A N LEU 117.A O no hydrogen 2.937 N/A GLN 122.A N LEU 118.A O no hydrogen 2.926 N/A GLN 123.A N GLU 119.A O no hydrogen 2.985 N/A GLN 123.A NE2 GLU 119.A OE1 no hydrogen 2.812 N/A LEU 124.A N CYS 120.A O no hydrogen 3.007 N/A VAL 125.A N ILE 121.A O no hydrogen 2.854 N/A LYS 126.A N GLN 122.A O no hydrogen 2.799 N/A LEU 127.A N GLN 123.A O no hydrogen 3.058 N/A ASP 128.A N LEU 124.A O no hydrogen 3.058 N/A GLN 129.A N LYS 126.A O no hydrogen 3.422 N/A TRP 131.A N ASP 128.A O no hydrogen 2.779 N/A TRP 131.A NE1 ASP 35.A OD2 no hydrogen 2.809 N/A VAL 132.A N GLN 129.A O no hydrogen 3.026 N/A TYR 134.A OH GLU 130.A OE1 no hydrogen 2.411 N/A SER 137.A N SER 135.A OG no hydrogen 3.140 N/A SER 137.A OG SER 135.A OG no hydrogen 2.952 N/A SER 139.A N VAL 170.A O no hydrogen 2.853 N/A LEU 140.A N ALA 80.A O no hydrogen 3.045 N/A TYR 141.A N SER 168.A O no hydrogen 2.686 N/A ILE 142.A N LEU 78.A O no hydrogen 2.700 N/A ARG 143.A N LEU 166.A O no hydrogen 2.830 N/A ARG 143.A NE GLU 76.A O no hydrogen 2.895 N/A ARG 143.A NE TYR 141.A OH no hydrogen 3.413 N/A ARG 143.A NH2 TYR 141.A OH no hydrogen 2.757 N/A ALA 145.A N PHE 164.A O no hydrogen 2.639 N/A PHE 146.A N LEU 74.A O no hydrogen 2.886 N/A ILE 147.A N LEU 162.A O no hydrogen 2.813 N/A GLY 148.A N VAL 72.A O no hydrogen 2.764 N/A THR 149.A N LYS 160.A O no hydrogen 2.885 N/A SER 152.A OG GLU 150.A OE1 no hydrogen 2.702 N/A LYS 156.A NZ SER 152.A OG no hydrogen 2.561 N/A LYS 156.A NZ GLY 154.A O no hydrogen 2.903 N/A THR 159.A N GLU 150.A OE2 no hydrogen 2.741 N/A THR 159.A OG1 GLU 150.A OE2 no hydrogen 2.451 N/A ALA 161.A N TRP 42.A O no hydrogen 3.026 N/A LEU 162.A N ILE 147.A O no hydrogen 2.877 N/A LEU 163.A N VAL 40.A O no hydrogen 3.003 N/A PHE 164.A N ALA 145.A O no hydrogen 2.700 N/A VAL 165.A N LEU 38.A O no hydrogen 2.916 N/A LEU 166.A N ARG 143.A O no hydrogen 2.965 N/A SER 168.A N TYR 141.A O no hydrogen 2.844 N/A SER 168.A OG VAL 32.A O no hydrogen 2.662 N/A VAL 170.A N SER 139.A O no hydrogen 2.796 N/A SER 175.A N THR 178.A O no hydrogen 2.999 N/A SER 175.A OG ASN 180.A OD1 no hydrogen 2.749 N/A THR 178.A N SER 175.A O no hydrogen 3.158 N/A THR 178.A OG1 PHE 179.A O no hydrogen 3.500 N/A VAL 182.A N PRO 319.A O no hydrogen 3.001 N/A SER 183.A N GLN 223.A OE1 no hydrogen 2.696 N/A LEU 184.A N ASP 322.A O no hydrogen 2.814 N/A TRP 185.A N GLN 224.A O no hydrogen 2.999 N/A TRP 185.A NE1 GLU 216.A OE1 no hydrogen 2.850 N/A ALA 186.A N LEU 324.A O no hydrogen 2.875 N/A ASN 187.A ND2 GLU 216.A OE1 no hydrogen 3.039 N/A LYS 189.A N ASN 187.A OD1 no hydrogen 3.233 N/A TYR 190.A N ASN 187.A O no hydrogen 3.245 N/A TYR 190.A OH GLU 216.A OE2 no hydrogen 2.815 N/A ARG 192.A NH2 GLY 199.A O no hydrogen 2.956 N/A ARG 192.A NH2 ILE 264.A O no hydrogen 2.914 N/A LYS 195.A N TYR 229.A OH no hydrogen 3.182 N/A LYS 195.A NZ ASP 262.A OD1 no hydrogen 3.131 N/A GLY 197.A N TRP 194.A O no hydrogen 2.789 N/A CYS 201.A N THR 198.A O no hydrogen 2.998 N/A GLY 204.A N GLU 73.A O no hydrogen 3.226 N/A ASN 206.A N MET 203.A O no hydrogen 3.168 N/A ASN 206.A ND2 THR 198.A OG1 no hydrogen 2.880 N/A TYR 207.A N GLY 204.A O no hydrogen 2.988 N/A SER 209.A OG GLY 205.A O no hydrogen 3.485 N/A SER 209.A OG ASN 206.A O no hydrogen 3.353 N/A SER 210.A N TYR 207.A O no hydrogen 3.092 N/A SER 210.A OG TYR 207.A O no hydrogen 2.841 N/A GLN 214.A N SER 210.A O no hydrogen 3.145 N/A GLN 214.A NE2 GLN 223.A O no hydrogen 3.021 N/A CYS 215.A N LEU 211.A O no hydrogen 2.988 N/A CYS 215.A SG LEU 211.A O no hydrogen 3.391 N/A GLU 216.A N PHE 212.A O no hydrogen 3.121 N/A ASP 217.A N ALA 213.A O no hydrogen 2.846 N/A VAL 218.A N GLN 214.A O no hydrogen 2.966 N/A ASP 219.A N CYS 215.A O no hydrogen 2.838 N/A ASN 220.A N GLU 216.A O no hydrogen 3.206 N/A ASN 220.A N ASP 217.A O no hydrogen 3.135 N/A GLY 221.A N VAL 218.A O no hydrogen 3.006 N/A CYS 222.A N ASP 217.A O no hydrogen 2.972 N/A CYS 222.A SG ASN 220.A O no hydrogen 3.948 N/A GLN 223.A N SER 183.A O no hydrogen 2.927 N/A GLN 223.A NE2 GLY 221.A O no hydrogen 3.468 N/A GLN 224.A N SER 183.A O no hydrogen 3.474 N/A GLN 224.A NE2 GLN 223.A O no hydrogen 2.816 N/A LEU 226.A N TRP 185.A O no hydrogen 3.026 N/A TRP 227.A N GLU 237.A O no hydrogen 2.940 N/A TRP 227.A NE1 GLY 239.A O no hydrogen 3.076 N/A TYR 229.A N GLN 234.A O no hydrogen 2.963 N/A HIS 233.A N GLY 230.A O no hydrogen 3.244 N/A GLN 234.A N TYR 229.A O no hydrogen 2.955 N/A ILE 235.A N LEU 291.A O no hydrogen 2.679 N/A THR 236.A N TRP 227.A O no hydrogen 2.951 N/A THR 236.A OG1 TRP 227.A O no hydrogen 2.885 N/A VAL 238.A N MET 241.A O no hydrogen 2.900 N/A GLY 239.A N VAL 225.A O no hydrogen 2.796 N/A MET 241.A N VAL 238.A O no hydrogen 2.805 N/A ASN 242.A N SER 311.A O no hydrogen 2.765 N/A ASN 242.A ND2 LEU 266.A O no hydrogen 3.413 N/A PHE 244.A N PHE 309.A O no hydrogen 2.923 N/A LEU 245.A N ALA 257.A O no hydrogen 2.868 N/A TYR 246.A N GLU 307.A O no hydrogen 2.765 N/A TYR 246.A OH GLU 254.A OE2 no hydrogen 2.282 N/A TRP 247.A N GLU 255.A O no hydrogen 2.872 N/A TRP 247.A NE1 GLU 255.A OE2 no hydrogen 2.866 N/A ILE 248.A N ARG 304.A O no hydrogen 2.765 N/A ASN 249.A N GLU 253.A O no hydrogen 2.860 N/A ASN 249.A ND2 GLU 253.A OE2 no hydrogen 3.481 N/A ASN 249.A ND2 GLU 255.A OE1 no hydrogen 3.194 N/A GLU 250.A N GLU 250.A OE2 no hydrogen 2.868 N/A ASP 251.A N ASN 249.A OD1 no hydrogen 2.839 N/A GLY 252.A N ASN 249.A O no hydrogen 2.985 N/A GLU 253.A N ASN 249.A OD1 no hydrogen 3.105 N/A GLU 255.A N TRP 247.A O no hydrogen 2.695 N/A LEU 256.A N LYS 285.A O no hydrogen 2.748 N/A ALA 257.A N LEU 245.A O no hydrogen 2.832 N/A THR 258.A N SER 287.A O no hydrogen 3.049 N/A THR 258.A OG1 LEU 243.A O no hydrogen 2.520 N/A ASP 262.A N PRO 260.A O no hydrogen 2.944 N/A LEU 266.A N GLU 237.A OE2 no hydrogen 2.833 N/A ARG 271.A NH2 PRO 259.A O no hydrogen 3.058 N/A ARG 271.A NH2 GLU 288.A OE1 no hydrogen 2.686 N/A ARG 272.A N GLY 268.A O no hydrogen 3.108 N/A ARG 272.A NH1 ASP 276.A OD2 no hydrogen 3.255 N/A CYS 273.A N VAL 269.A O no hydrogen 2.924 N/A CYS 273.A SG GLN 92.A OE1 no hydrogen 3.712 N/A CYS 273.A SG VAL 269.A O no hydrogen 3.224 N/A ILE 274.A N THR 270.A O no hydrogen 2.909 N/A LEU 275.A N ARG 271.A O no hydrogen 3.107 N/A ASP 276.A N ARG 272.A O no hydrogen 2.883 N/A LEU 277.A N CYS 273.A O no hydrogen 2.890 N/A ALA 278.A N ILE 274.A O no hydrogen 2.895 N/A HIS 279.A N LEU 275.A O no hydrogen 3.001 N/A GLN 280.A N ASP 276.A O no hydrogen 3.044 N/A GLN 280.A NE2 ASP 276.A O no hydrogen 2.913 N/A TRP 281.A N LEU 277.A O no hydrogen 2.977 N/A GLY 282.A N ALA 278.A O no hydrogen 3.326 N/A LYS 285.A N GLU 254.A O no hydrogen 3.038 N/A LYS 285.A NZ GLU 253.A OE2 no hydrogen 3.556 N/A LYS 285.A NZ GLU 255.A OE1 no hydrogen 3.540 N/A SER 287.A N LEU 256.A O no hydrogen 2.900 N/A SER 287.A OG GLU 255.A OE1 no hydrogen 2.541 N/A ARG 289.A N THR 258.A O no hydrogen 2.769 N/A ARG 289.A NE TYR 290.A O no hydrogen 2.785 N/A ARG 289.A NH1 GLU 250.A OE2 no hydrogen 3.049 N/A ARG 289.A NH2 GLU 250.A OE1 no hydrogen 2.585 N/A ARG 289.A NH2 GLU 250.A OE2 no hydrogen 3.329 N/A TYR 290.A OH ASP 262.A OD1 no hydrogen 2.478 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.142 N/A MET 293.A N HIS 233.A O no hydrogen 3.022 N/A ASP 295.A N THR 292.A OG1 no hydrogen 3.135 N/A LEU 296.A N THR 292.A O no hydrogen 3.153 N/A THR 297.A N MET 293.A O no hydrogen 2.914 N/A THR 297.A OG1 MET 293.A O no hydrogen 3.181 N/A THR 297.A OG1 ASP 294.A O no hydrogen 3.291 N/A THR 298.A N ASP 294.A O no hydrogen 2.998 N/A THR 298.A OG1 ASP 294.A O no hydrogen 2.857 N/A ALA 299.A N ASP 295.A O no hydrogen 3.127 N/A LEU 300.A N LEU 296.A O no hydrogen 2.925 N/A GLU 301.A N THR 297.A O no hydrogen 2.966 N/A GLY 302.A N THR 298.A O no hydrogen 3.220 N/A ASN 303.A N LEU 300.A O no hydrogen 3.228 N/A ARG 304.A N ALA 299.A O no hydrogen 2.685 N/A ARG 304.A NE ILE 248.A O no hydrogen 2.786 N/A ARG 304.A NH2 ILE 248.A O no hydrogen 3.062 N/A ARG 306.A N TYR 246.A O no hydrogen 2.916 N/A GLU 307.A N TYR 246.A O no hydrogen 3.037 N/A MET 308.A N THR 334.A OG1 no hydrogen 3.026 N/A PHE 309.A N PHE 244.A O no hydrogen 3.129 N/A SER 310.A N CYS 318.A O no hydrogen 2.849 N/A SER 310.A OG CYS 318.A O no hydrogen 3.375 N/A SER 311.A N ASN 242.A O no hydrogen 2.884 N/A GLY 312.A N VAL 316.A O no hydrogen 3.448 N/A THR 313.A OG1 GLY 77.A O no hydrogen 3.510 N/A VAL 317.A N CYS 315.A O no hydrogen 2.664 N/A CYS 318.A N SER 310.A O no hydrogen 2.864 N/A CYS 318.A SG PRO 319.A O no hydrogen 4.043 N/A VAL 320.A N MET 308.A O no hydrogen 2.718 N/A SER 321.A N VAL 182.A O no hydrogen 3.110 N/A SER 321.A OG ASP 322.A OD2 no hydrogen 2.989 N/A ILE 323.A N ILE 330.A O no hydrogen 2.856 N/A LEU 324.A N LEU 184.A O no hydrogen 2.692 N/A TYR 325.A N GLU 328.A O no hydrogen 2.940 N/A GLU 328.A N TYR 325.A O no hydrogen 3.099 N/A ILE 330.A N ILE 323.A O no hydrogen 2.912 N/A HIS 331.A ND1 ASP 322.A OD1 no hydrogen 2.999 N/A HIS 331.A NE2 GLU 336.A OE1 no hydrogen 2.638 N/A ILE 332.A N SER 321.A O no hydrogen 2.670 N/A THR 334.A OG1 MET 308.A O no hydrogen 3.384 N/A THR 334.A OG1 VAL 320.A O no hydrogen 2.597 N/A ASN 337.A N PRO 333.A O no hydrogen 3.042 N/A ASN 337.A N THR 334.A O no hydrogen 3.177 N/A ASN 337.A ND2 ARG 306.A O no hydrogen 2.937 N/A GLY 338.A N MET 335.A O no hydrogen 3.398 N/A LYS 340.A N ASN 337.A O no hydrogen 2.897 N/A LEU 341.A N GLU 307.A OE1 no hydrogen 2.771 N/A ALA 342.A N GLU 307.A OE2 no hydrogen 2.856 N/A SER 343.A N PRO 339.A O no hydrogen 3.005 N/A SER 343.A OG PRO 339.A O no hydrogen 2.718 N/A ARG 344.A N LYS 340.A O no hydrogen 3.125 N/A ARG 344.A NH1 GLU 283.A OE2 no hydrogen 2.754 N/A ARG 344.A NH2 GLU 283.A OE1 no hydrogen 2.869 N/A ARG 344.A NH2 GLU 283.A OE2 no hydrogen 3.558 N/A ILE 345.A N LEU 341.A O no hydrogen 2.785 N/A LEU 346.A N ALA 342.A O no hydrogen 2.994 N/A SER 347.A N SER 343.A O no hydrogen 2.974 N/A SER 347.A OG SER 343.A O no hydrogen 3.127 N/A LYS 348.A N ARG 344.A O no hydrogen 3.043 N/A LYS 348.A NZ GLU 357.A OE1 no hydrogen 2.861 N/A LEU 349.A N ILE 345.A O no hydrogen 2.889 N/A THR 350.A N LEU 346.A O no hydrogen 2.940 N/A THR 350.A OG1 LEU 346.A O no hydrogen 2.747 N/A THR 350.A OG1 SER 347.A O no hydrogen 3.187 N/A ASP 351.A N SER 347.A O no hydrogen 2.907 N/A ILE 352.A N LYS 348.A O no hydrogen 3.136 N/A GLN 353.A N LEU 349.A O no hydrogen 2.919 N/A TYR 354.A N THR 350.A O no hydrogen 2.899 N/A TYR 354.A OH ALA 138.A O no hydrogen 2.864 N/A GLY 355.A N ILE 352.A O no hydrogen 3.146 N/A ARG 356.A N ASP 351.A O no hydrogen 2.718 N/A GLU 357.A N ASP 351.A O no hydrogen 3.276 N/A THR 362.A N SER 359.A O no hydrogen 3.457 N/A THR 362.A OG1 SER 359.A O no hydrogen 3.446 N/A ILE 363.A N LEU 90.A O no hydrogen 2.952 N/A LEU 365.A N ILE 88.A O no hydrogen 2.875 N/A SER 366.A OG GLU 119.A OE1 no hydrogen 3.495 N/A SER 366.A OG GLU 119.A OE2 no hydrogen 2.870 N/A