Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5bui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.850 N/A GLN 7.A N VAL 4.A O no hydrogen 3.330 N/A PHE 9.A N GLU 2.A O no hydrogen 2.916 N/A ASP 10.A N TYR 92.A OH no hydrogen 3.142 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.792 N/A ARG 14.A NH1 ASP 34.A OD1 no hydrogen 3.277 N/A ARG 14.A NH1 ASP 34.A OD2 no hydrogen 2.888 N/A TYR 15.A N VAL 11.A O no hydrogen 3.386 N/A TYR 15.A OH ASP 78.A OD1 no hydrogen 2.716 N/A THR 16.A N TYR 33.A O no hydrogen 3.081 N/A THR 16.A OG1 ASN 17.A OD1 no hydrogen 3.015 N/A SER 19.A N SER 31.A O no hydrogen 3.011 N/A TYR 20.A OH GLU 23.A OE2 no hydrogen 3.347 N/A ILE 21.A N VAL 29.A O no hydrogen 2.958 N/A GLY 22.A N VAL 29.A O no hydrogen 3.252 N/A GLY 24.A N GLY 27.A O no hydrogen 3.046 N/A MET 28.A N LYS 45.A O no hydrogen 3.088 N/A VAL 29.A N GLY 22.A O no hydrogen 2.729 N/A CYS 30.A N ILE 43.A O no hydrogen 2.970 N/A SER 31.A N SER 19.A O no hydrogen 2.820 N/A SER 31.A OG SER 19.A O no hydrogen 3.407 N/A ALA 32.A N VAL 41.A O no hydrogen 2.892 N/A TYR 33.A N THR 16.A O no hydrogen 2.636 N/A ASP 34.A N VAL 39.A O no hydrogen 2.816 N/A ASN 35.A N ARG 14.A O no hydrogen 2.992 N/A VAL 36.A N ASP 34.A OD1 no hydrogen 2.939 N/A ASN 37.A N ASP 34.A OD1 no hydrogen 3.292 N/A LYS 38.A N ASP 34.A O no hydrogen 2.906 N/A ARG 40.A NH1 ASN 17.A O no hydrogen 2.780 N/A ARG 40.A NH1 SER 31.A OG no hydrogen 2.802 N/A ARG 40.A NH2 ASN 17.A O no hydrogen 2.836 N/A VAL 41.A N ALA 32.A O no hydrogen 2.809 N/A ALA 42.A N GLN 95.A O no hydrogen 2.839 N/A ILE 43.A N CYS 30.A O no hydrogen 2.709 N/A LYS 44.A N ILE 93.A O no hydrogen 2.832 N/A LYS 44.A NZ GLU 61.A OE1 no hydrogen 3.321 N/A LYS 44.A NZ GLU 61.A OE2 no hydrogen 2.722 N/A LYS 45.A N MET 28.A O no hydrogen 2.849 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.504 N/A ILE 46.A N VAL 91.A O no hydrogen 2.884 N/A SER 47.A OG ASP 90.A OD1 no hydrogen 2.747 N/A HIS 51.A N PRO 48.A O no hydrogen 3.356 N/A GLN 52.A NE2 LEU 315.A O no hydrogen 3.257 N/A GLN 52.A NE2 ASP 316.A O no hydrogen 3.509 N/A GLN 52.A NE2 LEU 318.A O no hydrogen 2.525 N/A CYS 55.A N HIS 51.A O no hydrogen 3.200 N/A CYS 55.A SG PRO 48.A O no hydrogen 3.395 N/A CYS 55.A SG HIS 51.A O no hydrogen 3.369 N/A CYS 55.A SG LYS 320.A O no hydrogen 4.033 N/A GLN 56.A N GLN 52.A O no hydrogen 3.097 N/A GLN 56.A NE2 GLN 52.A OE1 no hydrogen 2.527 N/A ARG 57.A N THR 53.A O no hydrogen 3.113 N/A THR 58.A N TYR 54.A O no hydrogen 2.977 N/A THR 58.A OG1 TYR 54.A O no hydrogen 2.794 N/A LEU 59.A N CYS 55.A O no hydrogen 3.052 N/A ARG 60.A N GLN 56.A O no hydrogen 2.932 N/A ARG 60.A NH1 GLN 56.A OE1 no hydrogen 2.668 N/A ARG 60.A NH2 GLN 56.A OE1 no hydrogen 3.386 N/A GLU 61.A N ARG 57.A O no hydrogen 2.967 N/A ILE 62.A N THR 58.A O no hydrogen 3.038 N/A LYS 63.A N LEU 59.A O no hydrogen 2.924 N/A ILE 64.A N ARG 60.A O no hydrogen 2.886 N/A LEU 65.A N GLU 61.A O no hydrogen 2.908 N/A LEU 66.A N ILE 62.A O no hydrogen 3.014 N/A ARG 67.A N LYS 63.A O no hydrogen 3.183 N/A ARG 67.A N ILE 64.A O no hydrogen 3.115 N/A PHE 68.A N ILE 64.A O no hydrogen 2.810 N/A ARG 69.A N TYR 129.A OH no hydrogen 3.047 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 3.017 N/A ASN 72.A ND2 GLN 122.A OE1 no hydrogen 3.431 N/A ASN 72.A ND2 LEU 153.A O no hydrogen 2.896 N/A ILE 73.A N HIS 70.A O no hydrogen 3.098 N/A ILE 74.A N ILE 155.A O no hydrogen 3.144 N/A ASN 77.A N VAL 94.A O no hydrogen 2.869 N/A ASN 77.A ND2 ASP 96.A OD1 no hydrogen 3.074 N/A ASP 78.A N VAL 94.A O no hydrogen 3.440 N/A ILE 79.A N ASP 78.A OD2 no hydrogen 2.938 N/A ILE 80.A N TYR 92.A O no hydrogen 2.915 N/A ARG 81.A NE THR 331.A OG1 no hydrogen 2.832 N/A ARG 81.A NH1 PHE 328.A O no hydrogen 2.799 N/A ARG 81.A NH2 ALA 82.A O no hydrogen 3.086 N/A THR 84.A OG1 GLN 87.A OE1 no hydrogen 3.213 N/A MET 88.A N THR 84.A O no hydrogen 3.102 N/A MET 88.A N ILE 85.A O no hydrogen 3.072 N/A VAL 91.A N ILE 46.A O no hydrogen 2.929 N/A TYR 92.A N ILE 80.A O no hydrogen 2.794 N/A TYR 92.A OH VAL 8.A O no hydrogen 3.342 N/A ILE 93.A N LYS 44.A O no hydrogen 2.869 N/A VAL 94.A N ASP 78.A O no hydrogen 2.854 N/A GLN 95.A N ALA 42.A O no hydrogen 2.812 N/A GLU 99.A N LEU 147.A O no hydrogen 2.823 N/A THR 100.A N LEU 147.A O no hydrogen 2.963 N/A THR 100.A OG1 ASP 101.A O no hydrogen 3.332 N/A LEU 102.A N LEU 145.A O no hydrogen 2.828 N/A LYS 104.A N ASP 101.A OD2 no hydrogen 2.863 N/A LEU 105.A N ASP 101.A O no hydrogen 3.065 N/A LEU 106.A N LEU 102.A O no hydrogen 2.904 N/A LYS 107.A N TYR 103.A O no hydrogen 3.238 N/A LYS 107.A N LYS 104.A O no hydrogen 3.268 N/A THR 108.A N LEU 105.A O no hydrogen 3.303 N/A THR 108.A OG1 LYS 104.A O no hydrogen 3.193 N/A GLN 109.A N LEU 105.A O no hydrogen 2.748 N/A GLN 109.A NE2 THR 108.A O no hydrogen 3.623 N/A ASN 113.A ND2 ASP 263.A OD1 no hydrogen 3.026 N/A HIS 115.A N SER 112.A O no hydrogen 3.069 N/A HIS 115.A N SER 112.A OG no hydrogen 3.252 N/A ILE 116.A N SER 112.A O no hydrogen 3.038 N/A CYS 117.A N ASN 113.A O no hydrogen 2.952 N/A CYS 117.A SG TYR 292.A O no hydrogen 3.104 N/A TYR 118.A N ASP 114.A O no hydrogen 2.988 N/A PHE 119.A N HIS 115.A O no hydrogen 2.937 N/A LEU 120.A N ILE 116.A O no hydrogen 2.939 N/A TYR 121.A N CYS 117.A O no hydrogen 2.913 N/A TYR 121.A OH GLU 302.A OE2 no hydrogen 2.648 N/A GLN 122.A N TYR 118.A O no hydrogen 3.113 N/A GLN 122.A NE2 TYR 118.A O no hydrogen 3.650 N/A GLN 122.A NE2 CYS 151.A O no hydrogen 2.866 N/A ILE 123.A N PHE 119.A O no hydrogen 3.027 N/A LEU 124.A N LEU 120.A O no hydrogen 3.056 N/A ARG 125.A N TYR 121.A O no hydrogen 2.787 N/A ARG 125.A NE ASP 301.A O no hydrogen 2.947 N/A ARG 125.A NH1 GLU 71.A OE1 no hydrogen 3.323 N/A ARG 125.A NH1 ASP 301.A O no hydrogen 2.874 N/A ARG 125.A NH1 ASP 301.A OD1 no hydrogen 3.471 N/A ARG 125.A NH2 GLU 71.A OE1 no hydrogen 3.060 N/A ARG 125.A NH2 ASN 72.A OD1 no hydrogen 2.933 N/A GLY 126.A N GLN 122.A O no hydrogen 2.996 N/A LEU 127.A N ILE 123.A O no hydrogen 2.881 N/A LYS 128.A N LEU 124.A O no hydrogen 2.723 N/A LYS 128.A NZ GLU 285.A OE1 no hydrogen 2.851 N/A LYS 128.A NZ GLU 302.A OE1 no hydrogen 2.863 N/A TYR 129.A N ARG 125.A O no hydrogen 3.362 N/A ILE 130.A N GLY 126.A O no hydrogen 3.108 N/A HIS 131.A N LEU 127.A O no hydrogen 2.834 N/A HIS 131.A NE2 ASP 190.A OD2 no hydrogen 2.879 N/A SER 132.A N LYS 128.A O no hydrogen 2.794 N/A SER 132.A OG LYS 128.A O no hydrogen 3.376 N/A SER 132.A OG TYR 129.A O no hydrogen 2.590 N/A ALA 133.A N TYR 129.A O no hydrogen 3.181 N/A ALA 133.A N ILE 130.A O no hydrogen 3.084 N/A ASN 134.A N HIS 131.A O no hydrogen 2.959 N/A VAL 135.A N ILE 130.A O no hydrogen 3.086 N/A LEU 136.A N ARG 162.A O no hydrogen 2.846 N/A HIS 137.A N ASP 190.A OD2 no hydrogen 2.875 N/A HIS 137.A NE2 CYS 156.A O no hydrogen 2.856 N/A ARG 138.A N ASP 190.A OD1 no hydrogen 2.819 N/A ARG 138.A NE LEU 160.A O no hydrogen 2.739 N/A ARG 138.A NH1 LEU 160.A O no hydrogen 3.291 N/A ARG 138.A NH2 GLY 184.A O no hydrogen 3.176 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.113 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 3.342 N/A ASN 144.A N LYS 141.A O no hydrogen 3.017 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.796 N/A LEU 145.A N PRO 142.A O no hydrogen 3.087 N/A LEU 146.A N LYS 154.A O no hydrogen 2.823 N/A LEU 147.A N THR 100.A O no hydrogen 2.814 N/A ASN 148.A N ASP 152.A O no hydrogen 3.118 N/A ASN 148.A ND2 ASP 152.A OD1 no hydrogen 3.025 N/A THR 150.A N ASN 148.A OD1 no hydrogen 2.954 N/A THR 150.A OG1 ASN 148.A OD1 no hydrogen 3.223 N/A THR 150.A OG1 ASP 152.A OD1 no hydrogen 3.293 N/A CYS 151.A N ASN 148.A O no hydrogen 3.371 N/A CYS 151.A SG HIS 115.A NE2 no hydrogen 3.395 N/A ASP 152.A N ASN 148.A OD1 no hydrogen 2.819 N/A LEU 153.A N GLN 122.A OE1 no hydrogen 2.756 N/A LYS 154.A N LEU 146.A O no hydrogen 2.813 N/A LYS 154.A NZ GLU 71.A O no hydrogen 2.664 N/A ILE 155.A N ASN 72.A O no hydrogen 2.803 N/A CYS 156.A N ASN 144.A O no hydrogen 2.940 N/A CYS 156.A SG ASN 144.A O no hydrogen 3.629 N/A PHE 158.A N GLU 61.A OE1 no hydrogen 2.883 N/A ALA 161.A N PHE 158.A O no hydrogen 3.149 N/A ARG 162.A N LEU 136.A O no hydrogen 3.036 N/A ARG 162.A NH1 ASP 316.A OD2 no hydrogen 3.090 N/A ARG 162.A NH2 ASP 316.A OD2 no hydrogen 3.495 N/A ALA 164.A N ASN 134.A O no hydrogen 2.629 N/A ASP 165.A N TYR 185.A O no hydrogen 3.274 N/A HIS 168.A N ASP 167.A OD1 no hydrogen 2.985 N/A ARG 171.A NH2 GLY 210.A O no hydrogen 2.800 N/A TRP 172.A NE1 GLY 210.A O no hydrogen 2.962 N/A TYR 173.A OH GLU 200.A OE1 no hydrogen 2.612 N/A TYR 173.A OH GLU 200.A OE2 no hydrogen 3.412 N/A ARG 174.A N ARG 171.A O no hydrogen 3.148 N/A ARG 174.A NH2 ASP 139.A OD1 no hydrogen 2.796 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.929 N/A ILE 178.A N ALA 175.A O no hydrogen 3.145 N/A LEU 180.A N PRO 176.A O no hydrogen 2.757 N/A LYS 183.A N GLU 177.A O no hydrogen 3.043 N/A LYS 183.A NZ HIS 279.A NE2 no hydrogen 2.995 N/A TYR 185.A N ASP 169.A OD1 no hydrogen 3.263 N/A THR 186.A OG1 ASP 169.A OD1 no hydrogen 3.078 N/A LYS 187.A NZ HIS 131.A O no hydrogen 2.798 N/A SER 188.A OG GLU 177.A OE2 no hydrogen 3.452 N/A ILE 189.A N THR 186.A O no hydrogen 2.966 N/A ASP 190.A N LYS 187.A O no hydrogen 2.986 N/A TRP 192.A N SER 188.A O no hydrogen 3.120 N/A SER 193.A N ILE 189.A O no hydrogen 3.418 N/A SER 193.A OG TYR 173.A O no hydrogen 2.650 N/A SER 193.A OG ILE 189.A O no hydrogen 3.203 N/A VAL 194.A N ASP 190.A O no hydrogen 3.023 N/A GLY 195.A N ILE 191.A O no hydrogen 2.845 N/A CYS 196.A N TRP 192.A O no hydrogen 2.889 N/A CYS 196.A SG TRP 172.A O no hydrogen 3.862 N/A CYS 196.A SG TRP 192.A O no hydrogen 3.580 N/A ILE 197.A N SER 193.A O no hydrogen 2.969 N/A LEU 198.A N VAL 194.A O no hydrogen 2.833 N/A ALA 199.A N GLY 195.A O no hydrogen 3.024 N/A GLU 200.A N CYS 196.A O no hydrogen 3.128 N/A MET 201.A N ILE 197.A O no hydrogen 2.919 N/A LEU 202.A N LEU 198.A O no hydrogen 3.048 N/A SER 203.A N ALA 199.A O no hydrogen 3.268 N/A SER 203.A OG ALA 199.A O no hydrogen 3.175 N/A SER 203.A OG ARG 205.A O no hydrogen 3.248 N/A ASN 204.A N GLU 200.A O no hydrogen 2.697 N/A ASN 204.A ND2 LEU 106.A O no hydrogen 2.738 N/A ASN 204.A ND2 GLN 109.A O no hydrogen 2.760 N/A GLY 210.A N PHE 208.A O no hydrogen 2.916 N/A GLY 210.A N GLN 216.A OE1 no hydrogen 3.021 N/A LYS 211.A N ASP 215.A OD2 no hydrogen 2.880 N/A TYR 213.A OH MET 179.A O no hydrogen 3.017 N/A GLN 216.A N HIS 212.A O no hydrogen 2.757 N/A GLN 216.A NE2 TRP 172.A O no hydrogen 3.624 N/A GLN 216.A NE2 PHE 208.A O no hydrogen 2.995 N/A LEU 217.A N TYR 213.A O no hydrogen 3.232 N/A ASN 218.A N LEU 214.A O no hydrogen 3.073 N/A HIS 219.A N ASP 215.A O no hydrogen 3.039 N/A ILE 220.A N GLN 216.A O no hydrogen 3.129 N/A LEU 221.A N LEU 217.A O no hydrogen 2.988 N/A GLY 222.A N ASN 218.A O no hydrogen 2.864 N/A ILE 223.A N ILE 220.A O no hydrogen 3.110 N/A LEU 224.A N ILE 220.A O no hydrogen 2.875 N/A GLY 225.A N LEU 221.A O no hydrogen 2.852 N/A SER 226.A N LYS 250.A O no hydrogen 3.001 N/A SER 228.A N ASP 231.A OD2 no hydrogen 2.997 N/A ASP 231.A N SER 228.A OG no hydrogen 3.029 N/A LEU 232.A N SER 228.A O no hydrogen 3.286 N/A LEU 232.A N GLN 229.A O no hydrogen 3.094 N/A ASN 233.A N GLU 230.A O no hydrogen 3.126 N/A CYS 234.A SG ASN 181.A OD1 no hydrogen 3.407 N/A CYS 234.A SG ASP 231.A O no hydrogen 3.341 N/A CYS 234.A SG ILE 235.A O no hydrogen 3.986 N/A ASN 237.A N LEU 180.A O no hydrogen 2.817 N/A ALA 240.A N ASN 237.A OD1 no hydrogen 2.800 N/A ARG 241.A N ASN 237.A O no hydrogen 2.917 N/A ASN 242.A N LEU 238.A O no hydrogen 2.934 N/A TYR 243.A N LYS 239.A O no hydrogen 2.916 N/A TYR 243.A OH ASN 218.A OD1 no hydrogen 2.827 N/A LEU 244.A N ALA 240.A O no hydrogen 3.013 N/A LEU 245.A N ARG 241.A O no hydrogen 2.956 N/A SER 246.A N ASN 242.A O no hydrogen 2.962 N/A SER 246.A N TYR 243.A O no hydrogen 2.976 N/A SER 246.A OG TYR 243.A O no hydrogen 2.556 N/A LEU 247.A N LEU 244.A O no hydrogen 3.342 N/A LYS 250.A N SER 226.A OG no hydrogen 2.880 N/A VAL 253.A N ILE 223.A O no hydrogen 2.764 N/A TRP 255.A NE1 ASP 271.A OD1 no hydrogen 2.784 N/A ARG 257.A N PRO 254.A O no hydrogen 3.081 N/A LEU 258.A N TRP 255.A O no hydrogen 3.140 N/A PHE 259.A N TRP 255.A O no hydrogen 2.880 N/A LYS 265.A N ASP 263.A OD2 no hydrogen 2.880 N/A LEU 267.A N ASP 263.A O no hydrogen 3.170 N/A ASP 268.A N SER 264.A O no hydrogen 3.055 N/A LEU 269.A N LYS 265.A O no hydrogen 2.984 N/A LEU 270.A N ALA 266.A O no hydrogen 2.889 N/A ASP 271.A N LEU 267.A O no hydrogen 2.913 N/A LYS 272.A N ASP 268.A O no hydrogen 3.425 N/A LYS 272.A NZ ASP 268.A OD1 no hydrogen 3.117 N/A LYS 272.A NZ ASP 268.A OD2 no hydrogen 2.980 N/A MET 273.A N LEU 269.A O no hydrogen 3.087 N/A MET 273.A N LEU 270.A O no hydrogen 3.233 N/A LEU 274.A N LEU 270.A O no hydrogen 2.927 N/A THR 275.A OG1 ASP 271.A O no hydrogen 2.956 N/A THR 275.A OG1 LYS 272.A O no hydrogen 3.398 N/A HIS 279.A N ASN 277.A OD1 no hydrogen 2.924 N/A LYS 280.A N ASN 277.A O no hydrogen 3.116 N/A LYS 280.A NZ GLU 230.A OE1 no hydrogen 3.126 N/A LYS 280.A NZ GLU 230.A OE2 no hydrogen 3.043 N/A ARG 281.A N PRO 278.A O no hydrogen 3.403 N/A ARG 281.A NE THR 275.A O no hydrogen 2.917 N/A ARG 281.A NH1 GLU 177.A OE1 no hydrogen 2.724 N/A ARG 281.A NH1 THR 275.A O no hydrogen 2.979 N/A ARG 281.A NH1 PHE 276.A O no hydrogen 3.020 N/A ARG 281.A NH2 GLU 177.A OE1 no hydrogen 3.203 N/A ARG 281.A NH2 GLU 177.A OE2 no hydrogen 2.641 N/A ARG 281.A NH2 SER 188.A O no hydrogen 2.888 N/A ILE 282.A N LYS 272.A O no hydrogen 3.074 N/A GLN 286.A N GLN 286.A OE1 no hydrogen 2.806 N/A GLN 286.A NE2 GLU 283.A OE1 no hydrogen 3.153 N/A ALA 287.A N GLU 283.A O no hydrogen 2.841 N/A LEU 288.A N VAL 284.A O no hydrogen 2.836 N/A ALA 289.A N GLU 285.A O no hydrogen 3.026 N/A HIS 290.A N ALA 287.A O no hydrogen 3.260 N/A HIS 290.A NE2 ASP 268.A OD2 no hydrogen 2.560 N/A TYR 292.A N HIS 290.A ND1 no hydrogen 2.982 N/A TYR 292.A OH ASN 113.A OD1 no hydrogen 2.667 N/A LEU 293.A N HIS 290.A O no hydrogen 2.978 N/A GLU 294.A N PRO 291.A O no hydrogen 3.269 N/A TYR 296.A N LEU 293.A O no hydrogen 3.065 N/A TYR 297.A N LEU 293.A O no hydrogen 2.799 N/A ASP 298.A N GLU 302.A OE2 no hydrogen 3.138 N/A SER 300.A OG ASP 298.A OD1 no hydrogen 2.738 N/A ASP 301.A N ASP 298.A O no hydrogen 2.847 N/A ALA 305.A N SER 132.A OG no hydrogen 2.773 N/A PHE 309.A N ALA 133.A O no hydrogen 2.717 N/A ASP 317.A N GLU 314.A O no hydrogen 3.239 N/A LEU 318.A N LEU 315.A O no hydrogen 3.466 N/A LYS 320.A NZ GLU 321.A OE2 no hydrogen 3.134 N/A LYS 322.A N PRO 319.A O no hydrogen 2.876 N/A LEU 323.A N PRO 319.A O no hydrogen 3.200 N/A LYS 324.A N LYS 320.A O no hydrogen 2.967 N/A LYS 324.A NZ ILE 85.A O no hydrogen 3.020 N/A LYS 324.A NZ MET 88.A O no hydrogen 2.845 N/A GLU 325.A N GLU 321.A O no hydrogen 3.402 N/A LEU 326.A N LYS 322.A O no hydrogen 3.141 N/A ILE 327.A N LEU 323.A O no hydrogen 2.890 N/A PHE 328.A N LYS 324.A O no hydrogen 2.872 N/A GLU 329.A N GLU 325.A O no hydrogen 2.978 N/A GLU 330.A N LEU 326.A O no hydrogen 2.844 N/A THR 331.A N ILE 327.A O no hydrogen 3.051 N/A THR 331.A OG1 ILE 327.A O no hydrogen 2.843 N/A THR 331.A OG1 PHE 328.A O no hydrogen 3.036 N/A ALA 332.A N GLU 329.A O no hydrogen 3.020 N/A PHE 334.A N THR 331.A O no hydrogen 3.265 N/A GLN 335.A N ALA 332.A O no hydrogen 3.109 N/A GLN 335.A NE2 ARG 81.A O no hydrogen 3.421 N/A