Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 2.815 N/A ALA 5.A N GLU 8.A OE2 no hydrogen 2.871 N/A GLY 7.A N VAL 20.A O no hydrogen 2.902 N/A GLU 8.A N ALA 5.A O no hydrogen 2.930 N/A ILE 10.A N TRP 18.A O no hydrogen 2.795 N/A ASP 12.A N ALA 16.A O no hydrogen 2.920 N/A MET 13.A N SER 97.A O no hydrogen 2.829 N/A ALA 14.A N ASP 12.A OD1 no hydrogen 2.943 N/A ALA 15.A N ASP 12.A O no hydrogen 2.930 N/A ALA 16.A N ASP 12.A OD1 no hydrogen 2.934 N/A TRP 18.A N ILE 10.A O no hydrogen 2.808 N/A TRP 18.A NE1 ASP 12.A OD2 no hydrogen 2.901 N/A LYS 19.A N ASP 36.A O no hydrogen 2.823 N/A LYS 19.A NZ SER 39.A O no hydrogen 2.948 N/A LYS 19.A NZ GLU 41.A O no hydrogen 2.901 N/A VAL 20.A N GLU 8.A O no hydrogen 3.018 N/A GLY 21.A N LEU 34.A O no hydrogen 2.771 N/A ILE 24.A N ILE 32.A O no hydrogen 3.067 N/A GLN 26.A NE2 GLY 25.A O no hydrogen 2.904 N/A GLN 26.A NE2 PHE 115.A O no hydrogen 3.342 N/A CYS 31.A N GLU 54.A OE1 no hydrogen 3.360 N/A CYS 31.A SG GLU 54.A OE1 no hydrogen 3.768 N/A TYR 33.A N VAL 51.A O no hydrogen 2.924 N/A TYR 33.A OH GLN 3.A OE1 no hydrogen 2.564 N/A LEU 34.A N LEU 22.A O no hydrogen 2.907 N/A ALA 35.A N CYS 49.A O no hydrogen 2.992 N/A ASP 36.A N LYS 19.A O no hydrogen 3.199 N/A MET 37.A N ASP 36.A OD1 no hydrogen 2.690 N/A ASN 38.A N ALA 17.A O no hydrogen 3.201 N/A GLU 41.A N SER 39.A OG no hydrogen 3.191 N/A ALA 47.A N GLY 44.A O no hydrogen 3.237 N/A CYS 49.A N ALA 35.A O no hydrogen 3.325 N/A VAL 50.A N MET 112.A O no hydrogen 2.886 N/A VAL 51.A N TYR 33.A O no hydrogen 2.737 N/A LYS 52.A N MET 110.A O no hydrogen 2.848 N/A LYS 52.A NZ GLU 64.A OE1 no hydrogen 2.723 N/A LYS 52.A NZ GLU 64.A OE2 no hydrogen 3.367 N/A VAL 53.A N CYS 31.A O no hydrogen 3.075 N/A GLU 54.A N ARG 108.A O no hydrogen 3.083 N/A SER 56.A N SER 106.A O no hydrogen 2.923 N/A SER 56.A OG SER 106.A O no hydrogen 3.383 N/A ASN 58.A N PRO 55.A O no hydrogen 2.874 N/A LEU 61.A N ASN 58.A OD1 no hydrogen 2.937 N/A THR 63.A N GLY 59.A O no hydrogen 2.991 N/A THR 63.A OG1 GLY 59.A O no hydrogen 3.263 N/A GLU 64.A N PRO 60.A O no hydrogen 2.858 N/A LEU 65.A N LEU 61.A O no hydrogen 2.845 N/A LYS 66.A N PHE 62.A O no hydrogen 2.967 N/A LYS 66.A NZ GLN 69.A OE1 no hydrogen 2.844 N/A PHE 67.A N THR 63.A O no hydrogen 3.045 N/A TYR 68.A N GLU 64.A O no hydrogen 2.922 N/A GLN 69.A N LEU 65.A O no hydrogen 2.875 N/A GLN 69.A NE2 TYR 94.A OH no hydrogen 3.264 N/A ARG 70.A N LYS 66.A O no hydrogen 3.000 N/A ARG 70.A NH1 TYR 154.A OH no hydrogen 2.883 N/A ALA 71.A N PHE 67.A O no hydrogen 2.824 N/A ALA 72.A N TYR 68.A O no hydrogen 2.962 N/A LYS 73.A N GLN 76.A OE1 no hydrogen 3.017 N/A LYS 73.A NZ GLN 69.A O no hydrogen 2.891 N/A LYS 73.A NZ GLN 76.A OE1 no hydrogen 2.984 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.800 N/A GLN 76.A NE2 ARG 70.A O no hydrogen 2.970 N/A ILE 77.A N LYS 73.A O no hydrogen 3.055 N/A GLN 78.A N PRO 74.A O no hydrogen 2.969 N/A LYS 79.A N GLU 75.A O no hydrogen 2.930 N/A TRP 80.A N GLN 76.A O no hydrogen 3.161 N/A ILE 81.A N ILE 77.A O no hydrogen 2.948 N/A ARG 82.A N GLN 78.A O no hydrogen 2.993 N/A THR 83.A N LYS 79.A O no hydrogen 2.922 N/A THR 83.A OG1 LYS 79.A O no hydrogen 3.072 N/A THR 83.A OG1 TRP 80.A O no hydrogen 3.380 N/A ARG 84.A N.A TRP 80.A O no hydrogen 2.882 N/A ARG 84.A N.B TRP 80.A O no hydrogen 2.882 N/A ARG 84.A NH1.A THR 83.A OG1 no hydrogen 3.053 N/A ARG 84.A NH1.B GLU 147.A OE2 no hydrogen 3.000 N/A ARG 84.A NH2.B GLU 147.A OE2 no hydrogen 3.008 N/A LYS 85.A N ARG 82.A O no hydrogen 3.154 N/A LEU 86.A N ILE 81.A O no hydrogen 2.984 N/A TYR 88.A OH VAL 174.A O no hydrogen 2.708 N/A VAL 91.A N LEU 89.A O no hydrogen 2.876 N/A LYS 93.A N ASP 113.A OD2 no hydrogen 2.971 N/A LYS 93.A NZ GLN 78.A OE1 no hydrogen 2.581 N/A TYR 94.A N ALA 72.A O no hydrogen 3.180 N/A TYR 94.A OH SER 97.A OG no hydrogen 2.730 N/A TRP 95.A N ILE 111.A O no hydrogen 2.897 N/A TRP 95.A NE1 ASP 113.A OD1 no hydrogen 2.952 N/A SER 97.A OG TYR 94.A OH no hydrogen 2.730 N/A GLY 98.A N PHE 109.A O no hydrogen 3.022 N/A HIS 100.A N TYR 107.A O no hydrogen 2.839 N/A HIS 100.A NE2 GLN 3.A O no hydrogen 2.951 N/A LYS 102.A N LYS 105.A O no hydrogen 2.972 N/A LYS 105.A N LYS 102.A O no hydrogen 3.017 N/A TYR 107.A N HIS 100.A O no hydrogen 2.838 N/A ARG 108.A N GLU 54.A O no hydrogen 2.792 N/A ARG 108.A NH2 SER 56.A O no hydrogen 2.975 N/A PHE 109.A N GLY 98.A O no hydrogen 3.024 N/A MET 110.A N LYS 52.A O no hydrogen 2.927 N/A ILE 111.A N GLY 96.A O no hydrogen 2.816 N/A MET 112.A N VAL 50.A O no hydrogen 2.987 N/A ASP 113.A N LYS 93.A O no hydrogen 3.346 N/A ARG 114.A N PRO 48.A O no hydrogen 2.976 N/A ARG 114.A NE PHE 115.A O no hydrogen 3.215 N/A ARG 114.A NH1 SER 45.A O no hydrogen 2.920 N/A ARG 114.A NH1 ALA 47.A O no hydrogen 2.906 N/A ARG 114.A NH2 SER 45.A O no hydrogen 3.013 N/A PHE 115.A N GLN 26.A OE1 no hydrogen 2.915 N/A GLY 116.A N LEU 166.A O no hydrogen 2.791 N/A SER 117.A OG ASP 118.A O no hydrogen 2.853 N/A LEU 119.A N LEU 164.A O no hydrogen 2.838 N/A GLN 120.A NE2 GLU 124.A OE1 no hydrogen 2.821 N/A LYS 121.A N ASP 118.A OD1 no hydrogen 2.975 N/A TYR 123.A N LEU 119.A O no hydrogen 2.844 N/A TYR 123.A OH LYS 128.A O no hydrogen 3.366 N/A TYR 123.A OH GLN 234.A O no hydrogen 2.815 N/A GLU 124.A N GLN 120.A O no hydrogen 2.923 N/A ALA 125.A N LYS 121.A O no hydrogen 2.958 N/A ASN 126.A N ILE 122.A O no hydrogen 3.021 N/A ASN 126.A N TYR 123.A O no hydrogen 3.084 N/A ASN 126.A ND2 ARG 129.A O no hydrogen 2.849 N/A ALA 127.A N GLU 124.A O no hydrogen 3.193 N/A LYS 128.A N TYR 123.A O no hydrogen 2.861 N/A ARG 129.A NH1 LYS 128.A O no hydrogen 2.870 N/A PHE 130.A N TRP 235.A O no hydrogen 2.891 N/A SER 131.A OG THR 134.A OG1 no hydrogen 2.973 N/A ARG 132.A NE GLU 279.A OE2 no hydrogen 2.819 N/A ARG 132.A NH2 GLU 279.A OE1 no hydrogen 2.802 N/A ARG 132.A NH2 GLU 279.A OE2 no hydrogen 3.428 N/A LYS 133.A NZ GLN 137.A OE1 no hydrogen 2.913 N/A LYS 133.A NZ SER 314.A OG no hydrogen 2.920 N/A LYS 133.A NZ ASP 317.A OD1 no hydrogen 2.794 N/A THR 134.A N SER 131.A OG no hydrogen 3.059 N/A THR 134.A OG1 SER 131.A OG no hydrogen 2.973 N/A THR 134.A OG1 LEU 320.A O no hydrogen 2.624 N/A THR 134.A OG1 ASP 321.A O no hydrogen 3.229 N/A VAL 135.A N SER 131.A O no hydrogen 2.908 N/A LEU 136.A N ARG 132.A O no hydrogen 2.971 N/A GLN 137.A N LYS 133.A O no hydrogen 2.981 N/A GLN 137.A NE2 ASP 316.A OD1 no hydrogen 2.855 N/A LEU 138.A N THR 134.A O no hydrogen 2.820 N/A SER 139.A N VAL 135.A O no hydrogen 2.904 N/A SER 139.A OG VAL 135.A O no hydrogen 2.799 N/A LEU 140.A N LEU 136.A O no hydrogen 2.988 N/A ARG 141.A N GLN 137.A O no hydrogen 3.452 N/A ARG 141.A NE ASP 144.A OD2 no hydrogen 3.146 N/A ARG 141.A NH1 ASP 316.A OD1 no hydrogen 3.034 N/A ARG 141.A NH1 ASP 316.A OD2 no hydrogen 3.359 N/A ARG 141.A NH2 ASP 316.A OD2 no hydrogen 3.107 N/A ILE 142.A N LEU 138.A O no hydrogen 2.919 N/A LEU 143.A N SER 139.A O no hydrogen 2.851 N/A ASP 144.A N LEU 140.A O no hydrogen 3.161 N/A ILE 145.A N ARG 141.A O no hydrogen 3.086 N/A LEU 146.A N ILE 142.A O no hydrogen 2.807 N/A GLU 147.A N LEU 143.A O no hydrogen 2.922 N/A TYR 148.A N ASP 144.A O no hydrogen 3.096 N/A TYR 148.A OH ALA 71.A O no hydrogen 2.570 N/A ILE 149.A N ILE 145.A O no hydrogen 3.012 N/A HIS 150.A N LEU 146.A O no hydrogen 2.915 N/A HIS 150.A ND1 TYR 298.A OH no hydrogen 2.625 N/A HIS 150.A NE2 ASP 224.A OD2 no hydrogen 2.825 N/A GLU 151.A N GLU 147.A O no hydrogen 2.919 N/A HIS 152.A N TYR 148.A O no hydrogen 3.058 N/A HIS 152.A N ILE 149.A O no hydrogen 2.965 N/A HIS 152.A ND1 TYR 148.A O no hydrogen 2.666 N/A GLU 153.A N HIS 150.A O no hydrogen 3.141 N/A TYR 154.A N ILE 149.A O no hydrogen 2.977 N/A VAL 155.A N TYR 183.A O no hydrogen 2.909 N/A HIS 156.A N ASP 224.A OD2 no hydrogen 2.914 N/A HIS 156.A NE2 VAL 177.A O no hydrogen 2.954 N/A GLY 157.A N ASP 224.A OD1 no hydrogen 2.805 N/A ASP 158.A N HIS 156.A ND1 no hydrogen 3.033 N/A LYS 160.A NZ THR 205.A OG1 no hydrogen 2.815 N/A ASN 163.A N LYS 160.A O no hydrogen 2.917 N/A ASN 163.A ND2 ASP 158.A O no hydrogen 2.957 N/A LEU 164.A N ALA 161.A O no hydrogen 3.142 N/A LEU 165.A N TYR 175.A O no hydrogen 2.852 N/A LEU 166.A N SER 117.A O no hydrogen 2.962 N/A ASN 167.A N GLN 173.A O no hydrogen 2.892 N/A ASN 167.A ND2 GLN 173.A OE1 no hydrogen 2.862 N/A LYS 169.A N ASN 167.A OD1 no hydrogen 2.813 N/A ASN 170.A N ASN 167.A O no hydrogen 3.290 N/A ASN 170.A N ASN 167.A OD1 no hydrogen 3.266 N/A ASP 172.A N ASN 170.A OD1 no hydrogen 3.028 N/A GLN 173.A N ASN 170.A O no hydrogen 3.120 N/A VAL 174.A N TYR 88.A OH no hydrogen 2.867 N/A TYR 175.A N LEU 165.A O no hydrogen 2.739 N/A LEU 176.A N GLY 90.A O no hydrogen 2.913 N/A VAL 177.A N ASN 163.A O no hydrogen 2.886 N/A TYR 179.A N GLU 64.A OE2 no hydrogen 2.877 N/A TYR 179.A OH LEU 176.A O no hydrogen 2.892 N/A GLY 180.A N ASP 178.A OD1 no hydrogen 3.193 N/A ALA 182.A N TYR 179.A O no hydrogen 3.144 N/A TYR 183.A N VAL 155.A O no hydrogen 2.968 N/A TYR 183.A OH ASP 197.A OD2 no hydrogen 2.714 N/A ARG 184.A NH1 GLU 153.A OE1 no hydrogen 3.222 N/A TYR 185.A OH HIS 150.A O no hydrogen 2.679 N/A GLU 188.A N GLU 153.A OE1 no hydrogen 3.345 N/A GLY 189.A N CYS 186.A O no hydrogen 3.000 N/A VAL 190.A N PRO 187.A O no hydrogen 3.120 N/A HIS 191.A ND1 LYS 192.A O no hydrogen 2.798 N/A LYS 192.A N TYR 185.A O no hydrogen 2.957 N/A LYS 192.A NZ TYR 183.A OH no hydrogen 3.557 N/A LYS 192.A NZ ASP 197.A OD2 no hydrogen 3.087 N/A ALA 195.A N ALA 193.A O no hydrogen 2.886 N/A LYS 199.A N ASP 197.A OD1 no hydrogen 2.943 N/A ARG 200.A N ASP 197.A O no hydrogen 2.843 N/A ARG 200.A NE HIS 202.A O no hydrogen 3.114 N/A ARG 200.A NH1 LEU 181.A O no hydrogen 2.638 N/A HIS 202.A NE2 ASP 158.A OD2 no hydrogen 3.216 N/A THR 205.A OG1 ASP 158.A OD1 no hydrogen 2.592 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.763 N/A PHE 208.A N THR 205.A O no hydrogen 2.939 N/A THR 209.A OG1 ASP 203.A O no hydrogen 2.704 N/A ILE 211.A N GLU 226.A OE2 no hydrogen 2.856 N/A ALA 213.A N SER 210.A OG no hydrogen 3.004 N/A HIS 214.A N SER 210.A O no hydrogen 2.990 N/A ASN 215.A N ILE 211.A O no hydrogen 2.854 N/A GLY 216.A N ALA 213.A O no hydrogen 3.053 N/A VAL 217.A N ASP 212.A O no hydrogen 3.156 N/A ALA 218.A N ALA 195.A O no hydrogen 3.182 N/A SER 220.A OG TYR 292.A O no hydrogen 2.732 N/A ARG 221.A NH2 THR 293.A O no hydrogen 2.932 N/A ARG 222.A NE ASP 212.A OD2 no hydrogen 2.837 N/A ARG 222.A NH1 LEU 290.A O no hydrogen 2.904 N/A ARG 222.A NH2 ASP 212.A OD1 no hydrogen 2.860 N/A ASP 224.A N SER 220.A O no hydrogen 3.439 N/A LEU 225.A N ARG 221.A O no hydrogen 3.333 N/A GLU 226.A N ARG 222.A O no hydrogen 2.883 N/A ILE 227.A N GLY 223.A O no hydrogen 2.924 N/A LEU 228.A N ASP 224.A O no hydrogen 3.076 N/A GLY 229.A N LEU 225.A O no hydrogen 3.047 N/A TYR 230.A N GLU 226.A O no hydrogen 3.064 N/A TYR 230.A OH GLU 226.A OE2 no hydrogen 2.860 N/A CYS 231.A N ILE 227.A O no hydrogen 2.974 N/A CYS 231.A SG ILE 159.A O no hydrogen 3.350 N/A CYS 231.A SG ILE 227.A O no hydrogen 3.552 N/A MET 232.A N LEU 228.A O no hydrogen 2.905 N/A ILE 233.A N GLY 229.A O no hydrogen 3.196 N/A GLN 234.A N TYR 230.A O no hydrogen 3.004 N/A GLN 234.A NE2 TYR 123.A OH no hydrogen 2.962 N/A GLN 234.A NE2 GLY 238.A O no hydrogen 3.319 N/A TRP 235.A N CYS 231.A O no hydrogen 2.835 N/A LEU 236.A N MET 232.A O no hydrogen 2.931 N/A THR 237.A N ILE 233.A O no hydrogen 2.940 N/A THR 237.A OG1 ILE 233.A O no hydrogen 2.748 N/A GLY 238.A N GLN 234.A O no hydrogen 2.834 N/A HIS 239.A N THR 237.A OG1 no hydrogen 3.174 N/A HIS 239.A ND1 GLU 243.A OE1 no hydrogen 2.645 N/A LEU 240.A N GLU 243.A OE2 no hydrogen 3.230 N/A TRP 242.A NE1 GLU 207.A O no hydrogen 2.801 N/A GLU 243.A N LEU 240.A O no hydrogen 3.171 N/A ASN 245.A N TRP 242.A O no hydrogen 3.081 N/A ASP 248.A N ASN 245.A O no hydrogen 3.005 N/A LYS 250.A NZ ASP 248.A OD1 no hydrogen 2.916 N/A LYS 250.A NZ ASP 248.A OD2 no hydrogen 3.467 N/A VAL 252.A N ASP 248.A O no hydrogen 3.178 N/A ARG 253.A N PRO 249.A O no hydrogen 2.937 N/A ARG 253.A NH1 ASN 215.A OD1 no hydrogen 2.893 N/A ASP 254.A N LYS 250.A O no hydrogen 2.926 N/A SER 255.A N TYR 251.A O no hydrogen 2.928 N/A LYS 256.A N VAL 252.A O no hydrogen 2.982 N/A LYS 256.A NZ ILE 206.A O no hydrogen 2.886 N/A LYS 256.A NZ THR 209.A O no hydrogen 2.755 N/A LYS 256.A NZ HIS 214.A NE2 no hydrogen 2.912 N/A ILE 257.A N ARG 253.A O no hydrogen 2.936 N/A ARG 258.A N ASP 254.A O no hydrogen 2.923 N/A ARG 258.A NE ASP 254.A OD1 no hydrogen 3.509 N/A ARG 258.A NE ASP 254.A OD2 no hydrogen 3.108 N/A TYR 259.A N SER 255.A O no hydrogen 2.935 N/A ARG 260.A N LYS 256.A O no hydrogen 2.897 N/A GLU 261.A N ILE 257.A O no hydrogen 2.967 N/A ASN 262.A N ARG 258.A O no hydrogen 3.019 N/A SER 265.A N ASN 262.A OD1 no hydrogen 3.085 N/A SER 265.A OG ASN 262.A O no hydrogen 2.686 N/A LEU 266.A N ASN 262.A O no hydrogen 3.361 N/A MET 267.A N ILE 263.A O no hydrogen 2.977 N/A ASP 268.A N ALA 264.A O no hydrogen 2.930 N/A LYS 269.A N SER 265.A O no hydrogen 2.958 N/A CYS 270.A N LEU 266.A O no hydrogen 2.937 N/A CYS 270.A SG LEU 266.A O no hydrogen 3.359 N/A PHE 271.A N MET 267.A O no hydrogen 2.946 N/A ASN 275.A N PRO 272.A O no hydrogen 2.828 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.763 N/A ILE 280.A N PRO 277.A O no hydrogen 3.107 N/A LYS 282.A N GLY 278.A O no hydrogen 3.070 N/A TYR 283.A N GLU 279.A O no hydrogen 2.848 N/A TYR 283.A OH LEU 225.A O no hydrogen 2.669 N/A MET 284.A N ILE 280.A O no hydrogen 2.995 N/A GLU 285.A N ALA 281.A O no hydrogen 2.926 N/A THR 286.A N LYS 282.A O no hydrogen 2.942 N/A THR 286.A OG1 LYS 282.A O no hydrogen 2.926 N/A VAL 287.A N TYR 283.A O no hydrogen 3.028 N/A LYS 288.A N MET 284.A O no hydrogen 2.920 N/A LYS 288.A NZ ARG 260.A O no hydrogen 2.822 N/A LYS 288.A NZ GLU 261.A O no hydrogen 3.201 N/A LEU 289.A N GLU 285.A O no hydrogen 3.341 N/A LEU 289.A N THR 286.A O no hydrogen 3.178 N/A LEU 290.A N VAL 287.A O no hydrogen 2.954 N/A ASP 291.A N GLU 294.A OE1 no hydrogen 2.942 N/A TYR 292.A OH ALA 218.A O no hydrogen 2.551 N/A GLU 294.A N ASP 291.A O no hydrogen 3.106 N/A LYS 295.A NZ GLU 151.A OE2 no hydrogen 3.353 N/A TYR 298.A OH HIS 150.A ND1 no hydrogen 2.625 N/A LEU 301.A N LEU 297.A O no hydrogen 3.229 N/A ARG 302.A N TYR 298.A O no hydrogen 2.903 N/A ARG 302.A NE GLU 299.A OE1 no hydrogen 3.320 N/A ARG 302.A NH1 GLU 147.A OE1 no hydrogen 2.993 N/A ARG 302.A NH2 GLU 147.A OE1 no hydrogen 2.877 N/A ARG 302.A NH2 GLU 299.A OE1 no hydrogen 2.699 N/A ASP 303.A N GLU 299.A O no hydrogen 2.863 N/A ILE 304.A N ASN 300.A O no hydrogen 2.995 N/A LEU 305.A N LEU 301.A O no hydrogen 3.207 N/A LEU 306.A N ARG 302.A O no hydrogen 2.862 N/A GLN 307.A N ASP 303.A O no hydrogen 2.895 N/A GLY 308.A N ILE 304.A O no hydrogen 3.346 N/A LEU 309.A N LEU 305.A O no hydrogen 3.171 N/A LYS 310.A N LEU 306.A O no hydrogen 2.998 N/A ALA 311.A N GLN 307.A O no hydrogen 2.924 N/A ILE 312.A N GLY 308.A O no hydrogen 3.247 N/A GLY 313.A N LYS 310.A O no hydrogen 2.850 N/A SER 314.A N LEU 309.A O no hydrogen 2.832 N/A SER 314.A OG LYS 315.A O no hydrogen 3.380 N/A LYS 315.A N SER 314.A OG no hydrogen 2.624 N/A GLY 318.A N ASP 316.A OD1 no hydrogen 3.213 N/A LYS 319.A N ASP 317.A OD1 no hydrogen 3.174 N/A LEU 320.A N ASP 172.A OD1 no hydrogen 3.090 N/A