Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ufx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 209.A O no hydrogen 3.133 N/A MET 1.A N ASP 211.A OD1 no hydrogen 2.941 N/A MET 1.A N ASP 211.A OD2 no hydrogen 3.531 N/A LEU 3.A N ILE 207.A O no hydrogen 3.331 N/A HIS 4.A N GLN 7.A OE1 no hydrogen 2.732 N/A TYR 6.A N GLN 47.A OE1 no hydrogen 2.979 N/A GLN 7.A NE2 GLU 227.A OE2 no hydrogen 3.109 N/A ALA 8.A N HIS 4.A O no hydrogen 2.903 N/A LYS 9.A N GLU 5.A O no hydrogen 2.827 N/A LYS 9.A NZ GLU 5.A OE2 no hydrogen 2.679 N/A LYS 9.A NZ ALA 203.A O no hydrogen 3.216 N/A GLU 10.A N TYR 6.A O no hydrogen 3.077 N/A ILE 11.A N GLN 7.A O no hydrogen 3.122 N/A LEU 12.A N ALA 8.A O no hydrogen 2.872 N/A ALA 13.A N LYS 9.A O no hydrogen 2.754 N/A ARG 14.A N GLU 10.A O no hydrogen 3.053 N/A TYR 15.A N ILE 11.A O no hydrogen 3.212 N/A TYR 15.A N LEU 12.A O no hydrogen 3.047 N/A GLY 16.A N ALA 13.A O no hydrogen 2.965 N/A VAL 17.A N LEU 12.A O no hydrogen 2.966 N/A LYS 23.A N VAL 90.A O no hydrogen 3.076 N/A LYS 23.A NZ GLU 37.A OE1 no hydrogen 3.208 N/A ALA 25.A N VAL 88.A O no hydrogen 2.717 N/A TYR 26.A N GLU 30.A OE1 no hydrogen 2.741 N/A GLU 30.A N THR 27.A OG1 no hydrogen 3.064 N/A ALA 31.A N THR 27.A O no hydrogen 2.996 N/A LYS 32.A N PRO 28.A O no hydrogen 2.850 N/A ARG 33.A N GLU 29.A O no hydrogen 2.974 N/A ARG 33.A NE GLU 37.A OE2 no hydrogen 3.229 N/A ILE 34.A N GLU 30.A O no hydrogen 2.931 N/A ALA 35.A N ALA 31.A O no hydrogen 2.868 N/A GLU 36.A N LYS 32.A O no hydrogen 2.914 N/A GLU 37.A N ARG 33.A O no hydrogen 2.994 N/A PHE 38.A N ILE 34.A O no hydrogen 2.992 N/A GLY 39.A N ALA 35.A O no hydrogen 2.850 N/A ARG 41.A NH2 ASP 95.A OD1 no hydrogen 2.497 N/A VAL 42.A N ALA 62.A O no hydrogen 2.924 N/A VAL 43.A N ALA 91.A O no hydrogen 2.674 N/A ILE 44.A N LYS 60.A O no hydrogen 2.692 N/A LYS 45.A N LEU 89.A O no hydrogen 2.875 N/A LYS 45.A NZ GLU 5.A OE1 no hydrogen 3.498 N/A LYS 45.A NZ GLU 5.A OE2 no hydrogen 2.751 N/A ALA 46.A N GLY 58.A O no hydrogen 2.743 N/A GLN 47.A N LYS 87.A O no hydrogen 3.020 N/A GLN 47.A NE2 GLU 5.A OE1 no hydrogen 3.260 N/A GLN 47.A NE2 LYS 45.A O no hydrogen 3.269 N/A GLN 47.A NE2 ALA 46.A O no hydrogen 3.277 N/A HIS 49.A NE2 GLU 227.A OE1 no hydrogen 2.490 N/A ARG 53.A NH1 GLU 5.A OE1 no hydrogen 2.767 N/A ARG 53.A NH1 ALA 46.A O no hydrogen 2.861 N/A ARG 53.A NH2 GLU 5.A OE1 no hydrogen 3.003 N/A ALA 56.A N GLY 52.A O no hydrogen 3.103 N/A GLY 57.A N GLY 54.A O no hydrogen 3.024 N/A GLY 58.A N ARG 53.A O no hydrogen 2.771 N/A LYS 60.A N ILE 44.A O no hydrogen 3.004 N/A LYS 60.A NZ GLY 57.A O no hydrogen 3.563 N/A ALA 62.A N VAL 42.A O no hydrogen 2.865 N/A ASP 63.A N GLU 67.A OE1 no hydrogen 3.346 N/A GLU 67.A N THR 64.A OG1 no hydrogen 3.183 N/A ALA 68.A N THR 64.A O no hydrogen 2.866 N/A TYR 69.A N PRO 65.A O no hydrogen 2.963 N/A TYR 69.A OH GLU 29.A OE2 no hydrogen 3.200 N/A GLU 70.A N GLN 66.A O no hydrogen 2.991 N/A LYS 71.A N GLU 67.A O no hydrogen 2.797 N/A LYS 71.A NZ GLU 70.A OE1 no hydrogen 2.889 N/A ALA 72.A N ALA 68.A O no hydrogen 2.884 N/A GLN 73.A N TYR 69.A O no hydrogen 3.036 N/A ALA 74.A N GLU 70.A O no hydrogen 2.970 N/A ALA 74.A N LYS 71.A O no hydrogen 3.047 N/A ILE 75.A N ALA 72.A O no hydrogen 3.140 N/A LEU 76.A N ALA 72.A O no hydrogen 2.807 N/A GLY 77.A N VAL 85.A O no hydrogen 2.787 N/A MET 78.A N ILE 75.A O no hydrogen 2.786 N/A ILE 80.A N LEU 83.A O no hydrogen 2.870 N/A LYS 81.A NZ GLY 51.A O no hydrogen 3.398 N/A GLY 82.A N ASN 79.A OD1 no hydrogen 3.285 N/A LEU 83.A N ILE 80.A O no hydrogen 3.066 N/A VAL 85.A N MET 78.A O no hydrogen 3.047 N/A LYS 87.A NZ TYR 6.A OH no hydrogen 3.242 N/A VAL 88.A N ALA 25.A O no hydrogen 2.991 N/A LEU 89.A N LYS 45.A O no hydrogen 2.778 N/A VAL 90.A N LYS 23.A O no hydrogen 2.861 N/A ALA 91.A N VAL 43.A O no hydrogen 3.034 N/A GLU 92.A N PRO 21.A O no hydrogen 2.994 N/A ALA 93.A N ARG 41.A O no hydrogen 2.918 N/A ALA 97.A N VAL 194.A O no hydrogen 2.888 N/A LYS 98.A N VAL 194.A O no hydrogen 3.072 N/A TYR 100.A N LEU 192.A O no hydrogen 2.597 N/A TYR 100.A OH GLU 162.A O no hydrogen 2.915 N/A TYR 101.A N SER 118.A O no hydrogen 2.812 N/A TYR 101.A OH GLU 188.A OE1 no hydrogen 2.807 N/A ALA 102.A N ILE 189.A O no hydrogen 3.234 N/A GLY 103.A N MET 116.A O no hydrogen 2.864 N/A LEU 104.A N ALA 187.A O no hydrogen 2.800 N/A ILE 105.A N VAL 114.A O no hydrogen 3.216 N/A ASP 107.A N ARG 112.A O no hydrogen 2.843 N/A ALA 109.A N ASP 107.A OD1 no hydrogen 3.002 N/A LYS 110.A N ASP 107.A O no hydrogen 3.297 N/A LYS 110.A N ASP 107.A OD1 no hydrogen 3.351 N/A ARG 112.A N ASP 107.A O no hydrogen 3.287 N/A VAL 114.A N ILE 105.A O no hydrogen 2.806 N/A LEU 115.A N PHE 139.A O no hydrogen 2.863 N/A MET 116.A N GLY 103.A O no hydrogen 2.726 N/A LEU 117.A N HIS 137.A O no hydrogen 2.916 N/A SER 118.A N TYR 101.A O no hydrogen 2.950 N/A SER 118.A OG ALA 135.A O no hydrogen 2.719 N/A GLU 120.A N SER 118.A OG no hydrogen 3.147 N/A GLY 121.A N GLU 99.A O no hydrogen 2.896 N/A GLY 121.A N LYS 119.A O no hydrogen 3.037 N/A GLY 122.A N ASN 190.A OD1 no hydrogen 2.776 N/A ALA 129.A N ILE 125.A O no hydrogen 2.944 N/A ALA 130.A N GLU 126.A O no hydrogen 3.205 N/A ALA 130.A N GLU 127.A O no hydrogen 2.790 N/A GLU 131.A N GLU 127.A O no hydrogen 2.788 N/A ARG 132.A N VAL 128.A O no hydrogen 2.840 N/A ARG 132.A NH1 GLU 120.A OE1 no hydrogen 3.348 N/A ARG 132.A NH1 GLU 120.A OE2 no hydrogen 2.678 N/A ARG 132.A NH2 GLU 120.A OE1 no hydrogen 3.149 N/A ARG 132.A NH2 GLU 131.A OE1 no hydrogen 2.786 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.779 N/A ALA 135.A N ARG 132.A O no hydrogen 3.039 N/A ILE 136.A N PRO 133.A O no hydrogen 3.088 N/A HIS 137.A N LEU 117.A O no hydrogen 2.840 N/A PHE 139.A N LEU 115.A O no hydrogen 3.060 N/A TRP 140.A NE1 ASP 107.A OD2 no hydrogen 2.698 N/A ILE 141.A N VAL 113.A O no hydrogen 2.830 N/A HIS 144.A N ASP 142.A OD1 no hydrogen 2.918 N/A LYS 145.A N ASP 142.A OD1 no hydrogen 2.832 N/A GLY 146.A N ASP 142.A O no hydrogen 2.875 N/A ARG 148.A N GLU 151.A OE1 no hydrogen 2.913 N/A ARG 148.A NE GLU 151.A OE1 no hydrogen 2.868 N/A ARG 148.A NH2 GLU 151.A OE2 no hydrogen 3.075 N/A ALA 152.A N ARG 148.A O no hydrogen 2.967 N/A ARG 153.A N PRO 149.A O no hydrogen 2.767 N/A GLU 154.A N PHE 150.A O no hydrogen 3.104 N/A MET 155.A N GLU 151.A O no hydrogen 3.045 N/A VAL 156.A N ALA 152.A O no hydrogen 2.920 N/A LYS 157.A N ARG 153.A O no hydrogen 3.025 N/A ARG 158.A N GLU 154.A O no hydrogen 2.859 N/A ALA 159.A N MET 155.A O no hydrogen 2.987 N/A GLY 160.A N LYS 157.A O no hydrogen 3.087 N/A LEU 161.A N VAL 156.A O no hydrogen 3.309 N/A GLU 162.A N TYR 100.A OH no hydrogen 2.860 N/A LYS 167.A N ASN 164.A OD1 no hydrogen 2.866 N/A LEU 168.A N ASN 164.A O no hydrogen 3.008 N/A ALA 169.A N LEU 165.A O no hydrogen 2.938 N/A GLN 170.A N ASN 166.A O no hydrogen 2.949 N/A VAL 171.A N LYS 167.A O no hydrogen 3.153 N/A LEU 172.A N LEU 168.A O no hydrogen 3.229 N/A VAL 173.A N ALA 169.A O no hydrogen 2.936 N/A ALA 174.A N GLN 170.A O no hydrogen 2.893 N/A LEU 175.A N VAL 171.A O no hydrogen 2.761 N/A TYR 176.A N LEU 172.A O no hydrogen 3.277 N/A ARG 177.A N VAL 173.A O no hydrogen 3.116 N/A ALA 178.A N ALA 174.A O no hydrogen 2.861 N/A TYR 179.A N LEU 175.A O no hydrogen 2.979 N/A TYR 179.A OH SER 185.A O no hydrogen 2.949 N/A GLU 180.A N TYR 176.A O no hydrogen 2.984 N/A GLY 181.A N ARG 177.A O no hydrogen 2.729 N/A VAL 182.A N ALA 178.A O no hydrogen 2.968 N/A ASP 183.A N GLU 180.A O no hydrogen 3.201 N/A ALA 184.A N TYR 179.A O no hydrogen 2.839 N/A SER 185.A N VAL 208.A O no hydrogen 2.712 N/A SER 185.A OG VAL 208.A O no hydrogen 3.245 N/A ILE 186.A N VAL 208.A O no hydrogen 3.202 N/A ALA 187.A N LEU 104.A O no hydrogen 3.195 N/A GLU 188.A N LYS 206.A O no hydrogen 2.927 N/A ILE 189.A N ALA 102.A O no hydrogen 2.698 N/A ASN 190.A ND2 VAL 123.A O no hydrogen 3.300 N/A LEU 192.A N TYR 100.A O no hydrogen 2.725 N/A VAL 193.A N VAL 201.A O no hydrogen 2.903 N/A VAL 194.A N LYS 98.A O no hydrogen 3.042 N/A THR 195.A N GLY 199.A O no hydrogen 2.717 N/A THR 195.A OG1 ASP 197.A OD1 no hydrogen 3.478 N/A THR 196.A N ASP 95.A O no hydrogen 3.002 N/A THR 196.A OG1 ASP 197.A OD1 no hydrogen 3.524 N/A ASP 197.A N THR 195.A OG1 no hydrogen 3.247 N/A GLY 198.A N THR 195.A O no hydrogen 2.738 N/A GLY 199.A N THR 195.A OG1 no hydrogen 2.934 N/A VAL 201.A N VAL 193.A O no hydrogen 2.944 N/A ALA 202.A N PRO 18.A O no hydrogen 2.940 N/A ALA 203.A N PRO 191.A O no hydrogen 3.295 N/A ALA 205.A N ASP 204.A OD1 no hydrogen 2.718 N/A LYS 206.A N GLU 188.A O no hydrogen 2.947 N/A VAL 208.A N ILE 186.A O no hydrogen 2.880 N/A LEU 209.A N MET 1.A O no hydrogen 2.894 N/A ASP 210.A N ASP 183.A O no hydrogen 2.868 N/A ASN 212.A N ASP 210.A OD1 no hydrogen 2.968 N/A ALA 213.A N ASP 210.A O no hydrogen 3.054 N/A LEU 214.A N ASP 211.A O no hydrogen 3.276 N/A ARG 216.A N ALA 213.A O no hydrogen 2.989 N/A ARG 216.A NE ASP 183.A OD2 no hydrogen 2.827 N/A ARG 216.A NH2 ASP 183.A OD1 no hydrogen 2.925 N/A ARG 216.A NH2 ASP 183.A OD2 no hydrogen 3.180 N/A HIS 217.A N LEU 214.A O no hydrogen 2.779 N/A HIS 217.A NE2 ASP 183.A OD2 no hydrogen 2.823 N/A LEU 220.A N HIS 217.A O no hydrogen 2.860 N/A ALA 221.A N HIS 217.A O no hydrogen 2.789 N/A GLU 222.A N PRO 218.A O no hydrogen 3.159 N/A LEU 223.A N LEU 220.A O no hydrogen 2.974 N/A ARG 224.A N ALA 221.A O no hydrogen 3.013 N/A GLU 227.A N LEU 223.A O no hydrogen 2.886 N/A LEU 232.A N HIS 230.A ND1 no hydrogen 3.088 N/A GLU 233.A N HIS 230.A O no hydrogen 3.054 N/A VAL 234.A N PRO 231.A O no hydrogen 3.362 N/A ALA 236.A N LEU 232.A O no hydrogen 3.043 N/A SER 237.A N GLU 233.A O no hydrogen 3.169 N/A SER 237.A OG GLU 233.A O no hydrogen 2.816 N/A ASN 238.A N VAL 234.A O no hydrogen 3.224 N/A ASN 238.A N GLU 235.A O no hydrogen 2.899 N/A TYR 239.A N ALA 236.A O no hydrogen 3.233 N/A GLY 240.A N SER 237.A O no hydrogen 2.942 N/A PHE 241.A N ALA 236.A O no hydrogen 2.709 N/A ALA 242.A N ASP 279.A O no hydrogen 3.117 N/A VAL 244.A N PHE 277.A O no hydrogen 2.868 N/A LYS 245.A NZ LEU 246.A O no hydrogen 3.123 N/A LYS 245.A NZ ALA 275.A O no hydrogen 3.292 N/A LYS 245.A NZ ASP 299.A OD2 no hydrogen 2.718 N/A LYS 245.A NZ ASP 301.A OD2 no hydrogen 3.239 N/A LEU 246.A N ALA 275.A O no hydrogen 2.906 N/A ASN 249.A N LYS 273.A O no hydrogen 2.873 N/A ILE 250.A N LYS 273.A O no hydrogen 3.397 N/A GLY 251.A N GLY 304.A O no hydrogen 2.733 N/A ILE 252.A N ASN 276.A OD1 no hydrogen 3.235 N/A ILE 253.A N PHE 306.A O no hydrogen 3.088 N/A GLY 254.A N LEU 278.A O no hydrogen 3.051 N/A ASN 255.A ND2 GLY 282.A O no hydrogen 3.249 N/A ASN 255.A ND2 PHE 310.A O no hydrogen 3.177 N/A GLY 256.A N ASP 279.A OD1 no hydrogen 2.709 N/A VAL 260.A N GLY 256.A O no hydrogen 2.883 N/A MET 261.A N ALA 257.A O no hydrogen 2.965 N/A TYR 262.A N GLY 258.A O no hydrogen 3.039 N/A THR 263.A N LEU 259.A O no hydrogen 2.885 N/A THR 263.A OG1 LEU 259.A O no hydrogen 3.035 N/A LEU 264.A N VAL 260.A O no hydrogen 2.862 N/A ASP 265.A N MET 261.A O no hydrogen 2.861 N/A LEU 266.A N TYR 262.A O no hydrogen 2.818 N/A VAL 267.A N THR 263.A O no hydrogen 2.956 N/A ASN 268.A N LEU 264.A O no hydrogen 3.001 N/A ASN 268.A ND2 LEU 264.A O no hydrogen 3.147 N/A ARG 269.A N ASP 265.A O no hydrogen 2.974 N/A VAL 270.A N LEU 266.A O no hydrogen 3.214 N/A VAL 270.A N VAL 267.A O no hydrogen 3.135 N/A GLY 271.A N ASN 268.A O no hydrogen 3.262 N/A GLY 272.A N VAL 267.A O no hydrogen 2.987 N/A ALA 275.A N ILE 250.A O no hydrogen 2.624 N/A ASN 276.A ND2 ILE 252.A O no hydrogen 2.987 N/A PHE 277.A N VAL 244.A O no hydrogen 2.897 N/A ASP 279.A N ALA 242.A O no hydrogen 3.024 N/A ILE 280.A N GLY 254.A O no hydrogen 2.866 N/A GLY 281.A N ASP 279.A OD1 no hydrogen 2.918 N/A ALA 286.A N GLU 318.A OE1 no hydrogen 3.230 N/A VAL 289.A N LYS 285.A O no hydrogen 3.196 N/A TYR 290.A N ALA 286.A O no hydrogen 2.969 N/A TYR 290.A OH GLU 329.A OE2 no hydrogen 2.700 N/A ASN 291.A N ASP 287.A O no hydrogen 2.924 N/A ALA 292.A N VAL 288.A O no hydrogen 2.939 N/A LEU 293.A N VAL 289.A O no hydrogen 2.922 N/A LYS 294.A N TYR 290.A O no hydrogen 2.890 N/A LYS 294.A NZ TYR 239.A OH no hydrogen 3.118 N/A LYS 294.A NZ ASN 291.A OD1 no hydrogen 3.420 N/A VAL 295.A N ASN 291.A O no hydrogen 2.905 N/A VAL 296.A N ALA 292.A O no hydrogen 3.036 N/A LEU 297.A N LEU 293.A O no hydrogen 2.964 N/A LYS 298.A N VAL 295.A O no hydrogen 3.335 N/A LYS 298.A NZ GLU 235.A OE1 no hydrogen 2.895 N/A LYS 298.A NZ GLU 235.A OE2 no hydrogen 3.038 N/A ASP 299.A N VAL 296.A O no hydrogen 3.224 N/A ASP 301.A N ASP 299.A OD1 no hydrogen 3.079 N/A VAL 302.A N ASP 299.A O no hydrogen 2.952 N/A LYS 303.A N ASN 249.A O no hydrogen 2.632 N/A LYS 303.A NZ THR 370.A O no hydrogen 3.505 N/A LYS 303.A NZ VAL 371.A O no hydrogen 3.403 N/A LYS 303.A NZ MET 373.A O no hydrogen 2.705 N/A VAL 305.A N PRO 335.A O no hydrogen 3.016 N/A PHE 306.A N GLY 251.A O no hydrogen 2.734 N/A ILE 307.A N VAL 337.A O no hydrogen 2.825 N/A ASN 308.A N ILE 253.A O no hydrogen 2.823 N/A ASN 308.A ND2 THR 263.A OG1 no hydrogen 2.747 N/A ILE 309.A N ARG 339.A O no hydrogen 2.943 N/A PHE 310.A N ASN 255.A OD1 no hydrogen 2.999 N/A GLY 311.A N ALA 341.A O no hydrogen 2.833 N/A THR 314.A N GLY 311.A O no hydrogen 3.255 N/A ALA 316.A N THR 343.A O no hydrogen 3.071 N/A VAL 319.A N ALA 316.A O no hydrogen 3.033 N/A ALA 320.A N ALA 316.A O no hydrogen 3.354 N/A LYS 321.A N ASP 317.A O no hydrogen 2.769 N/A LYS 321.A NZ ASP 317.A OD1 no hydrogen 3.487 N/A GLY 322.A N GLU 318.A O no hydrogen 3.289 N/A VAL 323.A N VAL 319.A O no hydrogen 3.027 N/A ILE 324.A N ALA 320.A O no hydrogen 2.768 N/A ARG 325.A N LYS 321.A O no hydrogen 3.030 N/A ARG 325.A NE GLU 329.A OE1 no hydrogen 3.526 N/A ALA 326.A N GLY 322.A O no hydrogen 3.275 N/A LEU 327.A N VAL 323.A O no hydrogen 2.971 N/A GLU 328.A N ILE 324.A O no hydrogen 2.811 N/A GLU 329.A N ALA 326.A O no hydrogen 3.397 N/A GLY 330.A N LEU 327.A O no hydrogen 3.046 N/A LEU 331.A N ALA 326.A O no hydrogen 3.105 N/A LEU 332.A N ALA 326.A O no hydrogen 3.422 N/A VAL 336.A N PRO 356.A O no hydrogen 3.499 N/A VAL 337.A N VAL 305.A O no hydrogen 2.784 N/A MET 338.A N TYR 358.A O no hydrogen 2.927 N/A ARG 339.A N ILE 307.A O no hydrogen 2.913 N/A ARG 339.A NE ASN 308.A OD1 no hydrogen 3.115 N/A ARG 339.A NE ARG 339.A O no hydrogen 3.153 N/A ARG 339.A NH2 ASN 308.A OD1 no hydrogen 3.228 N/A ALA 341.A N ILE 309.A O no hydrogen 3.127 N/A THR 343.A OG1 GLY 312.A O no hydrogen 3.472 N/A LYS 349.A N GLU 345.A O no hydrogen 2.991 N/A LYS 350.A N GLU 346.A O no hydrogen 3.035 N/A LEU 351.A N ALA 348.A O no hydrogen 3.198 N/A LEU 352.A N LYS 349.A O no hydrogen 2.756 N/A VAL 357.A N LYS 355.A O no hydrogen 2.512 N/A TYR 358.A N VAL 336.A O no hydrogen 3.119 N/A TYR 360.A N MET 338.A O no hydrogen 3.083 N/A SER 363.A OG ASN 308.A OD1 no hydrogen 3.370 N/A ALA 366.A N THR 362.A O no hydrogen 3.337 N/A ALA 367.A N SER 363.A O no hydrogen 2.821 N/A LYS 368.A N ILE 364.A O no hydrogen 2.986 N/A VAL 369.A N GLU 365.A O no hydrogen 3.015 N/A THR 370.A N ALA 366.A O no hydrogen 3.260 N/A THR 370.A OG1 ALA 367.A O no hydrogen 3.079 N/A VAL 371.A N ALA 367.A O no hydrogen 3.333 N/A VAL 371.A N LYS 368.A O no hydrogen 3.039 N/A ALA 372.A N LYS 368.A O no hydrogen 3.322 N/A MET 373.A N VAL 369.A O no hydrogen 3.363 N/A GLY 376.A N LYS 303.A O no hydrogen 3.292 N/A ALA 378.A N THR 333.A O no hydrogen 2.891 N/A