Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ie8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A N GLU 389.A OE1 no hydrogen 3.186 N/A TYR 1.A N GLU 389.A OE2 no hydrogen 2.896 N/A ALA 2.A N LEU 388.A O no hydrogen 2.945 N/A THR 3.A N ASP 6.A OD2 no hydrogen 2.850 N/A LEU 5.A N THR 3.A OG1 no hydrogen 3.284 N/A ASP 6.A N THR 3.A O no hydrogen 3.001 N/A LEU 7.A N LEU 4.A O no hydrogen 3.270 N/A LYS 10.A N ASP 8.A OD1 no hydrogen 3.354 N/A GLY 11.A N GLY 49.A O no hydrogen 3.054 N/A LYS 12.A N PRO 9.A O no hydrogen 3.051 N/A LYS 12.A NZ ASP 8.A O no hydrogen 3.163 N/A ARG 13.A NE LEU 134.A O no hydrogen 2.794 N/A VAL 14.A N SER 51.A O no hydrogen 3.010 N/A LEU 15.A N ALA 137.A O no hydrogen 2.992 N/A VAL 16.A N VAL 53.A O no hydrogen 2.870 N/A ARG 17.A N VAL 139.A O no hydrogen 2.940 N/A ARG 17.A NE SER 152.A OG no hydrogen 2.946 N/A ARG 17.A NH1 VAL 18.A O no hydrogen 2.814 N/A ARG 17.A NH1 HIS 57.A ND1 no hydrogen 3.261 N/A ARG 17.A NH2 HIS 57.A ND1 no hydrogen 3.406 N/A VAL 18.A N LEU 55.A O no hydrogen 2.989 N/A TYR 20.A N SER 56.A OG no hydrogen 2.880 N/A TYR 20.A OH SER 38.A OG no hydrogen 2.748 N/A ASN 21.A N ASP 19.A OD1 no hydrogen 3.354 N/A VAL 22.A N TYR 20.A O no hydrogen 2.818 N/A GLN 25.A N LYS 28.A O no hydrogen 2.909 N/A LYS 28.A N GLN 25.A O no hydrogen 3.229 N/A LYS 28.A NZ GLU 75.A OE1 no hydrogen 3.143 N/A GLN 30.A N PRO 23.A O no hydrogen 2.769 N/A GLN 30.A NE2 GLN 25.A O no hydrogen 3.397 N/A GLN 30.A NE2 LYS 28.A O no hydrogen 3.175 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.906 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.679 N/A ARG 34.A NE ASP 19.A OD1 no hydrogen 2.669 N/A ARG 34.A NH2 ASP 19.A OD1 no hydrogen 2.905 N/A LEU 36.A N GLU 32.A O no hydrogen 3.087 N/A GLU 37.A N THR 33.A O no hydrogen 2.955 N/A SER 38.A N ILE 35.A O no hydrogen 3.198 N/A SER 38.A OG TYR 20.A OH no hydrogen 2.748 N/A SER 38.A OG ILE 35.A O no hydrogen 2.718 N/A LEU 39.A N LEU 36.A O no hydrogen 3.175 N/A THR 41.A OG1 ASP 141.A OD2 no hydrogen 2.701 N/A LEU 42.A N SER 38.A O no hydrogen 3.128 N/A ARG 43.A N LEU 39.A O no hydrogen 2.750 N/A HIS 44.A N PRO 40.A O no hydrogen 3.101 N/A LEU 45.A N THR 41.A O no hydrogen 3.215 N/A LEU 46.A N LEU 42.A O no hydrogen 2.958 N/A ALA 47.A N ARG 43.A O no hydrogen 2.824 N/A GLY 48.A N HIS 44.A O no hydrogen 3.079 N/A GLY 49.A N LEU 46.A O no hydrogen 2.940 N/A ALA 50.A N LEU 45.A O no hydrogen 3.243 N/A SER 51.A N LYS 12.A O no hydrogen 3.178 N/A LEU 52.A N GLU 107.A O no hydrogen 2.928 N/A VAL 53.A N VAL 14.A O no hydrogen 3.066 N/A LEU 54.A N LEU 109.A O no hydrogen 2.633 N/A LEU 55.A N VAL 16.A O no hydrogen 3.007 N/A SER 56.A OG VAL 18.A O no hydrogen 3.509 N/A SER 56.A OG HIS 57.A O no hydrogen 2.926 N/A GLY 59.A N ASN 21.A OD1 no hydrogen 2.970 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.106 N/A TYR 68.A N ASP 65.A O no hydrogen 2.785 N/A SER 69.A N PRO 66.A O no hydrogen 3.273 N/A SER 69.A OG GLU 112.A OE1 no hydrogen 3.545 N/A SER 69.A OG GLU 112.A OE2 no hydrogen 2.644 N/A LEU 70.A N GLU 112.A OE1 no hydrogen 2.853 N/A ALA 71.A N SER 69.A OG no hydrogen 3.318 N/A VAL 73.A N LEU 70.A O no hydrogen 2.840 N/A GLY 74.A N LEU 70.A O no hydrogen 2.994 N/A GLU 75.A N ALA 71.A O no hydrogen 3.170 N/A ALA 76.A N PRO 72.A O no hydrogen 3.244 N/A LEU 77.A N VAL 73.A O no hydrogen 2.838 N/A ARG 78.A N GLY 74.A O no hydrogen 2.960 N/A ARG 78.A NH1 ALA 84.A O no hydrogen 2.967 N/A ALA 79.A N ALA 76.A O no hydrogen 3.154 N/A HIS 80.A N LEU 77.A O no hydrogen 3.015 N/A HIS 80.A NE2 GLU 32.A OE2 no hydrogen 2.741 N/A LEU 81.A N LEU 77.A O no hydrogen 2.919 N/A ALA 84.A N LEU 81.A O no hydrogen 2.949 N/A ARG 85.A N VAL 108.A O no hydrogen 2.825 N/A ARG 85.A NH1 GLU 107.A OE2 no hydrogen 2.652 N/A ALA 87.A N LEU 110.A O no hydrogen 3.074 N/A PHE 89.A N ALA 87.A O no hydrogen 2.661 N/A GLY 92.A N GLU 117.A OE1 no hydrogen 3.093 N/A SER 93.A N PRO 90.A O no hydrogen 2.815 N/A SER 93.A OG PRO 90.A O no hydrogen 2.733 N/A ALA 96.A N SER 93.A OG no hydrogen 3.189 N/A ARG 97.A N SER 93.A O no hydrogen 3.139 N/A ARG 97.A NH1 GLU 101.A OE2 no hydrogen 2.976 N/A ARG 97.A NH2 GLU 94.A OE1 no hydrogen 3.224 N/A ARG 98.A N GLU 94.A O no hydrogen 3.105 N/A GLU 99.A N GLU 95.A O no hydrogen 2.980 N/A ALA 100.A N ALA 96.A O no hydrogen 3.128 N/A GLU 101.A N ARG 97.A O no hydrogen 3.030 N/A ALA 102.A N ARG 98.A O no hydrogen 3.226 N/A ALA 102.A N GLU 99.A O no hydrogen 3.380 N/A LEU 103.A N ALA 100.A O no hydrogen 3.278 N/A ARG 104.A N GLU 107.A OE1 no hydrogen 2.920 N/A GLY 106.A N ALA 50.A O no hydrogen 2.939 N/A GLU 107.A N ARG 104.A O no hydrogen 2.930 N/A VAL 108.A N GLU 83.A O no hydrogen 3.098 N/A LEU 109.A N LEU 52.A O no hydrogen 2.666 N/A LEU 110.A N ARG 85.A O no hydrogen 2.876 N/A LEU 111.A N LEU 54.A O no hydrogen 3.184 N/A GLU 112.A N PHE 89.A O no hydrogen 3.078 N/A ASN 113.A N GLU 112.A OE1 no hydrogen 2.709 N/A ASN 113.A ND2 LEU 58.A O no hydrogen 2.674 N/A ASN 113.A ND2 TYR 68.A O no hydrogen 3.161 N/A VAL 114.A N SER 56.A O no hydrogen 3.089 N/A ARG 115.A N ASN 113.A OD1 no hydrogen 2.889 N/A PHE 116.A N ASN 113.A O no hydrogen 2.982 N/A GLU 117.A N VAL 114.A O no hydrogen 3.107 N/A GLU 120.A N GLU 117.A O no hydrogen 3.178 N/A ASN 123.A N GLU 120.A O no hydrogen 3.150 N/A ASP 124.A N GLY 119.A O no hydrogen 3.054 N/A LEU 127.A N ASP 124.A OD1 no hydrogen 2.987 N/A SER 128.A N ASP 124.A O no hydrogen 2.982 N/A SER 128.A OG ASP 124.A O no hydrogen 3.255 N/A ALA 129.A N PRO 125.A O no hydrogen 2.991 N/A ARG 130.A N GLU 126.A O no hydrogen 3.031 N/A ARG 130.A NE GLY 92.A O no hydrogen 3.118 N/A ARG 130.A NH2 GLY 92.A O no hydrogen 3.545 N/A TYR 131.A N LEU 127.A O no hydrogen 3.086 N/A TYR 131.A OH GLU 120.A OE1 no hydrogen 2.788 N/A ALA 132.A N SER 128.A O no hydrogen 3.075 N/A ARG 133.A N ARG 130.A O no hydrogen 3.115 N/A LEU 134.A N TYR 131.A O no hydrogen 2.936 N/A GLU 136.A N ARG 13.A O no hydrogen 2.826 N/A PHE 138.A N PRO 161.A O no hydrogen 2.900 N/A VAL 139.A N LEU 15.A O no hydrogen 2.908 N/A LEU 140.A N TYR 163.A O no hydrogen 2.853 N/A ASP 141.A N ARG 17.A O no hydrogen 2.910 N/A SER 145.A N ALA 142.A O no hydrogen 2.961 N/A ALA 146.A N PHE 143.A O no hydrogen 3.079 N/A HIS 147.A ND1 GLU 375.A OE2 no hydrogen 3.234 N/A ARG 148.A NH1 HIS 147.A O no hydrogen 2.586 N/A ARG 148.A NH1 GLU 375.A OE1 no hydrogen 3.393 N/A ARG 148.A NH2 GLU 375.A OE2 no hydrogen 3.293 N/A HIS 150.A N ARG 148.A O no hydrogen 2.849 N/A ALA 151.A N GLU 120.A O no hydrogen 2.927 N/A SER 152.A N GLU 120.A OE2 no hydrogen 2.949 N/A SER 152.A OG GLU 120.A OE2 no hydrogen 2.532 N/A VAL 153.A N HIS 150.A O no hydrogen 2.972 N/A VAL 154.A N HIS 150.A O no hydrogen 2.799 N/A GLY 155.A N HIS 150.A O no hydrogen 3.281 N/A VAL 156.A N ALA 151.A O no hydrogen 3.047 N/A ARG 158.A N GLY 155.A O no hydrogen 3.138 N/A LEU 159.A N VAL 156.A O no hydrogen 3.259 N/A TYR 163.A N PHE 138.A O no hydrogen 2.848 N/A ALA 164.A N ALA 2.A O no hydrogen 2.838 N/A GLY 165.A N LEU 140.A O no hydrogen 3.064 N/A PHE 166.A N THR 41.A OG1 no hydrogen 3.058 N/A MET 168.A N ASP 141.A OD1 no hydrogen 2.817 N/A GLU 169.A N GLY 165.A O no hydrogen 2.963 N/A LYS 170.A N PHE 166.A O no hydrogen 2.979 N/A GLU 171.A N LEU 167.A O no hydrogen 2.991 N/A VAL 172.A N MET 168.A O no hydrogen 2.981 N/A ARG 173.A N GLU 169.A O no hydrogen 3.009 N/A ALA 174.A N LYS 170.A O no hydrogen 3.072 N/A LEU 175.A N GLU 171.A O no hydrogen 3.075 N/A SER 176.A N VAL 172.A O no hydrogen 2.937 N/A SER 176.A OG VAL 172.A O no hydrogen 2.667 N/A ARG 177.A N ARG 173.A O no hydrogen 3.313 N/A LEU 178.A N LEU 175.A O no hydrogen 3.070 N/A LEU 179.A N SER 176.A O no hydrogen 2.986 N/A LYS 180.A N ARG 177.A O no hydrogen 3.189 N/A ARG 184.A NH1 ASP 210.A OD2 no hydrogen 3.040 N/A TYR 186.A N ASP 210.A OD2 no hydrogen 3.026 N/A ALA 187.A N THR 309.A O no hydrogen 2.760 N/A VAL 188.A N ARG 211.A O no hydrogen 2.934 N/A VAL 189.A N PHE 311.A O no hydrogen 2.795 N/A LEU 190.A N LEU 213.A O no hydrogen 2.888 N/A GLY 191.A N ASN 313.A O no hydrogen 3.047 N/A SER 196.A N GLU 236.A OE1 no hydrogen 2.752 N/A SER 196.A OG GLU 236.A OE2 no hydrogen 2.729 N/A LYS 198.A N VAL 195.A O no hydrogen 2.764 N/A ILE 202.A N LYS 198.A O no hydrogen 2.865 N/A GLU 203.A N ILE 199.A O no hydrogen 2.911 N/A SER 204.A N GLY 200.A O no hydrogen 3.110 N/A SER 204.A OG GLY 200.A O no hydrogen 3.178 N/A SER 204.A OG GLU 378.A O no hydrogen 2.945 N/A LEU 205.A N VAL 201.A O no hydrogen 2.984 N/A LEU 206.A N ILE 202.A O no hydrogen 2.973 N/A ARG 208.A N LEU 205.A O no hydrogen 2.753 N/A ILE 209.A N LEU 205.A O no hydrogen 3.178 N/A ILE 209.A N LEU 206.A O no hydrogen 3.429 N/A ASP 210.A N TYR 186.A O no hydrogen 3.098 N/A ARG 211.A N TYR 186.A O no hydrogen 3.323 N/A ARG 211.A NH1 GLU 305.A O no hydrogen 2.975 N/A LEU 212.A N ARG 256.A O no hydrogen 2.702 N/A LEU 213.A N VAL 188.A O no hydrogen 2.947 N/A ILE 214.A N TYR 258.A O no hydrogen 3.062 N/A GLY 215.A N LEU 190.A O no hydrogen 2.920 N/A GLY 216.A N MET 316.A O no hydrogen 2.966 N/A MET 218.A N GLY 192.A O no hydrogen 2.623 N/A ALA 219.A N GLY 216.A O no hydrogen 3.147 N/A PHE 220.A N ALA 217.A O no hydrogen 3.007 N/A THR 221.A N MET 218.A O no hydrogen 3.294 N/A LEU 223.A N ALA 219.A O no hydrogen 2.913 N/A LYS 224.A N PHE 220.A O no hydrogen 2.840 N/A ALA 225.A N THR 221.A O no hydrogen 2.944 N/A LEU 226.A N PHE 222.A O no hydrogen 3.096 N/A LEU 226.A N LEU 223.A O no hydrogen 2.810 N/A GLY 227.A N LYS 224.A O no hydrogen 2.795 N/A GLY 228.A N LEU 223.A O no hydrogen 3.024 N/A GLU 229.A N ARG 281.A O no hydrogen 3.014 N/A ARG 232.A N TYR 287.A O no hydrogen 2.970 N/A SER 233.A N VAL 230.A O no hydrogen 3.024 N/A SER 233.A OG VAL 230.A O no hydrogen 2.755 N/A GLU 236.A N THR 221.A OG1 no hydrogen 3.158 N/A ARG 239.A N GLU 236.A O no hydrogen 2.750 N/A ARG 239.A NH1 ASP 238.A O no hydrogen 3.302 N/A LEU 240.A N GLU 237.A O no hydrogen 3.310 N/A ALA 243.A N ARG 239.A O no hydrogen 2.892 N/A LYS 244.A N LEU 240.A O no hydrogen 3.257 N/A ASP 245.A N ASP 241.A O no hydrogen 3.333 N/A LEU 246.A N LEU 242.A O no hydrogen 2.910 N/A LEU 247.A N ALA 243.A O no hydrogen 3.275 N/A GLY 248.A N LYS 244.A O no hydrogen 3.323 N/A ARG 249.A N ASP 245.A O no hydrogen 3.021 N/A ARG 249.A NH1 ASP 245.A OD2 no hydrogen 2.789 N/A ALA 250.A N LEU 246.A O no hydrogen 3.030 N/A GLU 251.A N LEU 247.A O no hydrogen 3.183 N/A ALA 252.A N GLY 248.A O no hydrogen 3.022 N/A LEU 253.A N ARG 249.A O no hydrogen 2.774 N/A LEU 253.A N ALA 250.A O no hydrogen 2.930 N/A GLY 254.A N GLU 251.A O no hydrogen 2.897 N/A VAL 255.A N ALA 250.A O no hydrogen 2.904 N/A ARG 256.A N ASP 210.A O no hydrogen 3.002 N/A TYR 258.A N LEU 212.A O no hydrogen 2.746 N/A GLU 261.A N THR 296.A OG1 no hydrogen 2.858 N/A ASP 262.A N THR 296.A OG1 no hydrogen 3.084 N/A VAL 263.A N PHE 278.A O no hydrogen 2.905 N/A VAL 264.A N ASP 291.A O no hydrogen 2.905 N/A ALA 265.A N ARG 276.A O no hydrogen 2.805 N/A ALA 266.A N MET 288.A O no hydrogen 3.139 N/A VAL 273.A N GLU 270.A O no hydrogen 3.140 N/A ARG 276.A N ALA 265.A O no hydrogen 3.016 N/A PHE 278.A N VAL 263.A O no hydrogen 3.162 N/A ALA 280.A N GLU 261.A O no hydrogen 2.807 N/A ALA 282.A N PRO 279.A O no hydrogen 3.153 N/A ILE 283.A N GLU 229.A O no hydrogen 2.913 N/A TYR 287.A N PRO 284.A O no hydrogen 2.948 N/A MET 288.A N ALA 266.A O no hydrogen 2.813 N/A GLY 289.A N SER 233.A OG no hydrogen 2.860 N/A LEU 290.A N VAL 264.A O no hydrogen 2.966 N/A ILE 292.A N ASP 291.A OD1 no hydrogen 2.768 N/A GLY 293.A N ASP 262.A O no hydrogen 2.888 N/A LYS 295.A N ASP 262.A OD2 no hydrogen 2.837 N/A THR 296.A N ASP 262.A OD1 no hydrogen 3.039 N/A THR 296.A OG1 ASP 262.A O no hydrogen 3.070 N/A THR 296.A OG1 ASP 262.A OD1 no hydrogen 2.758 N/A ARG 297.A N GLY 293.A O no hydrogen 2.965 N/A ARG 297.A NE ILE 292.A O no hydrogen 2.937 N/A ARG 297.A NH2 ILE 292.A O no hydrogen 3.021 N/A GLU 298.A N PRO 294.A O no hydrogen 3.051 N/A ALA 299.A N LYS 295.A O no hydrogen 2.806 N/A PHE 300.A N THR 296.A O no hydrogen 2.908 N/A ALA 301.A N ARG 297.A O no hydrogen 3.119 N/A ARG 302.A N GLU 298.A O no hydrogen 3.046 N/A ALA 303.A N ALA 299.A O no hydrogen 2.834 N/A LEU 304.A N PHE 300.A O no hydrogen 3.125 N/A LEU 304.A N ALA 301.A O no hydrogen 3.252 N/A GLU 305.A N ARG 302.A O no hydrogen 3.183 N/A ALA 307.A N LEU 304.A O no hydrogen 3.127 N/A ARG 308.A N PRO 185.A O no hydrogen 2.806 N/A ARG 308.A NH1 ARG 184.A O no hydrogen 2.970 N/A THR 309.A N PRO 185.A O no hydrogen 3.033 N/A THR 309.A OG1 GLU 183.A O no hydrogen 2.629 N/A VAL 310.A N PHE 342.A O no hydrogen 2.978 N/A PHE 311.A N ALA 187.A O no hydrogen 3.005 N/A TRP 312.A N VAL 344.A O no hydrogen 2.776 N/A TRP 312.A NE1 GLY 314.A O no hydrogen 2.750 N/A ASN 313.A N VAL 189.A O no hydrogen 3.074 N/A MET 316.A N THR 328.A OG1 no hydrogen 2.915 N/A VAL 318.A N LEU 290.A O no hydrogen 3.006 N/A PHE 319.A N GLY 317.A O no hydrogen 2.720 N/A VAL 321.A N VAL 318.A O no hydrogen 3.031 N/A PHE 324.A N VAL 321.A O no hydrogen 2.833 N/A GLU 326.A N PRO 323.A O no hydrogen 3.479 N/A GLY 327.A N ASP 291.A OD2 no hydrogen 2.898 N/A LEU 329.A N ASP 325.A O no hydrogen 3.073 N/A ALA 330.A N GLU 326.A O no hydrogen 2.944 N/A VAL 331.A N GLY 327.A O no hydrogen 3.057 N/A GLY 332.A N THR 328.A O no hydrogen 3.126 N/A GLN 333.A N LEU 329.A O no hydrogen 3.234 N/A ALA 334.A N ALA 330.A O no hydrogen 3.053 N/A ILE 335.A N VAL 331.A O no hydrogen 3.042 N/A ALA 336.A N GLY 332.A O no hydrogen 2.975 N/A ALA 337.A N GLN 333.A O no hydrogen 2.985 N/A LEU 338.A N ILE 335.A O no hydrogen 3.210 N/A PHE 342.A N ARG 308.A O no hydrogen 2.934 N/A VAL 344.A N VAL 310.A O no hydrogen 2.782 N/A VAL 345.A N HIS 365.A O no hydrogen 3.037 N/A GLY 346.A N TRP 312.A O no hydrogen 2.799 N/A VAL 351.A N GLY 347.A O no hydrogen 3.040 N/A ALA 352.A N GLY 348.A O no hydrogen 2.954 N/A ALA 353.A N ASP 349.A O no hydrogen 2.956 N/A VAL 354.A N SER 350.A O no hydrogen 3.159 N/A ASN 355.A N VAL 351.A O no hydrogen 2.925 N/A ASN 355.A ND2 VAL 351.A O no hydrogen 2.931 N/A ARG 356.A N ALA 352.A O no hydrogen 2.947 N/A ARG 356.A NH2 ASP 325.A OD2 no hydrogen 2.894 N/A LEU 357.A N ALA 353.A O no hydrogen 3.052 N/A GLY 358.A N ASN 355.A O no hydrogen 2.836 N/A LEU 359.A N VAL 354.A O no hydrogen 2.978 N/A ARG 362.A N LEU 359.A O no hydrogen 2.954 N/A ARG 362.A NH1 GLU 339.A OE2 no hydrogen 3.499 N/A ARG 362.A NH2 LEU 338.A O no hydrogen 3.182 N/A ARG 362.A NH2 GLU 339.A OE2 no hydrogen 3.429 N/A PHE 363.A N LYS 360.A O no hydrogen 3.071 N/A GLY 364.A N THR 343.A OG1 no hydrogen 3.176 N/A HIS 365.A N THR 343.A O no hydrogen 2.959 N/A HIS 365.A NE2 GLU 171.A OE2 no hydrogen 2.735 N/A SER 367.A N VAL 345.A O no hydrogen 2.726 N/A SER 367.A OG GLU 171.A OE1 no hydrogen 3.384 N/A SER 367.A OG SER 373.A OG no hydrogen 2.809 N/A THR 368.A N GLU 171.A OE2 no hydrogen 2.701 N/A GLY 369.A N SER 367.A OG no hydrogen 3.270 N/A ALA 372.A N GLY 369.A O no hydrogen 2.787 N/A SER 373.A OG SER 367.A OG no hydrogen 2.809 N/A LEU 374.A N GLY 370.A O no hydrogen 3.365 N/A GLU 375.A N GLY 371.A O no hydrogen 3.045 N/A PHE 376.A N ALA 372.A O no hydrogen 2.950 N/A LEU 377.A N SER 373.A O no hydrogen 3.078 N/A GLU 378.A N LEU 374.A O no hydrogen 2.956 N/A LYS 379.A N GLU 375.A O no hydrogen 2.737 N/A GLY 380.A N PHE 376.A O no hydrogen 2.599 N/A GLY 384.A N ALA 146.A O no hydrogen 2.926 N/A LEU 385.A N LEU 382.A O no hydrogen 2.881 N/A GLU 386.A N LEU 382.A O no hydrogen 3.327 N/A LEU 388.A N LEU 385.A O no hydrogen 3.228 N/A