Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pw7_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 TYR 22.A OH no hydrogen 3.454 N/A GLU 6.A N SER 18.A O no hydrogen 2.887 N/A THR 8.A N ILE 16.A O no hydrogen 2.878 N/A LYS 9.A NZ LEU 10.A O no hydrogen 2.766 N/A LEU 10.A N LEU 14.A O no hydrogen 2.844 N/A GLY 13.A N LEU 10.A O no hydrogen 3.171 N/A LEU 14.A N LEU 10.A O no hydrogen 2.972 N/A VAL 15.A N MET 185.A O no hydrogen 3.389 N/A ILE 16.A N THR 8.A O no hydrogen 2.943 N/A ALA 17.A N LEU 187.A O no hydrogen 3.269 N/A SER 18.A N GLU 6.A O no hydrogen 2.926 N/A SER 18.A OG ALA 17.A O no hydrogen 2.860 N/A LEU 19.A N GLY 189.A O no hydrogen 3.028 N/A TYR 22.A N GLU 20.A OE2 no hydrogen 2.901 N/A ALA 23.A N ASN 21.A OD1 no hydrogen 3.222 N/A SER 26.A N GLY 92.A O no hydrogen 2.850 N/A SER 26.A OG GLY 92.A O no hydrogen 3.037 N/A ARG 27.A N LEU 190.A O no hydrogen 2.926 N/A ILE 28.A N VAL 90.A O no hydrogen 2.950 N/A GLY 29.A N VAL 188.A O no hydrogen 2.898 N/A LEU 30.A N TYR 88.A O no hydrogen 2.874 N/A PHE 31.A N ALA 186.A O no hydrogen 2.873 N/A VAL 32.A N MET 86.A O no hydrogen 2.886 N/A LYS 33.A N ARG 184.A O no hydrogen 3.271 N/A LYS 33.A NZ LEU 368.A O no hydrogen 3.124 N/A SER 36.A OG ASN 155.A O no hydrogen 3.354 N/A ARG 37.A N ARG 83.A O no hydrogen 2.984 N/A ARG 37.A NH2 ALA 216.A O no hydrogen 3.538 N/A TYR 38.A N GLY 35.A O no hydrogen 3.491 N/A GLU 39.A N SER 36.A O no hydrogen 3.430 N/A ASP 40.A N ASN 43.A OD1 no hydrogen 2.935 N/A ASN 43.A N ASP 40.A O no hydrogen 3.345 N/A THR 46.A N ASN 43.A O no hydrogen 3.338 N/A THR 46.A OG1 ASN 43.A O no hydrogen 2.559 N/A SER 47.A N GLU 39.A OE2 no hydrogen 2.512 N/A SER 47.A OG GLU 39.A OE2 no hydrogen 3.289 N/A LEU 49.A N GLY 45.A O no hydrogen 2.948 N/A LEU 50.A N THR 46.A O no hydrogen 2.879 N/A ARG 51.A N SER 47.A O no hydrogen 2.869 N/A ARG 51.A NH2 LEU 157.A O no hydrogen 2.836 N/A LEU 52.A N HIS 48.A O no hydrogen 2.968 N/A ALA 53.A N LEU 50.A O no hydrogen 3.217 N/A SER 55.A OG SER 55.A O no hydrogen 2.495 N/A THR 57.A N GLU 117.A OE1 no hydrogen 3.141 N/A THR 57.A OG1 GLU 117.A OE1 no hydrogen 3.270 N/A THR 57.A OG1 GLU 117.A OE2 no hydrogen 2.429 N/A THR 58.A N ALA 61.A O no hydrogen 2.745 N/A THR 58.A OG1 ALA 61.A O no hydrogen 2.432 N/A LYS 59.A N ALA 110.A O no hydrogen 2.876 N/A LYS 65.A N SER 62.A OG no hydrogen 3.329 N/A ILE 66.A N SER 62.A O no hydrogen 2.895 N/A THR 67.A N SER 63.A O no hydrogen 2.973 N/A THR 67.A OG1 SER 55.A OG no hydrogen 2.884 N/A THR 67.A OG1 SER 63.A O no hydrogen 2.884 N/A ARG 68.A N PHE 64.A O no hydrogen 2.910 N/A GLY 69.A N LYS 65.A O no hydrogen 2.866 N/A ILE 70.A N ILE 66.A O no hydrogen 2.990 N/A GLU 71.A N THR 67.A O no hydrogen 2.966 N/A ALA 72.A N ARG 68.A O no hydrogen 2.815 N/A VAL 73.A N GLY 69.A O no hydrogen 2.983 N/A LYS 76.A N GLU 91.A O no hydrogen 2.953 N/A SER 78.A N THR 89.A O no hydrogen 2.882 N/A SER 78.A OG THR 89.A O no hydrogen 3.529 N/A THR 80.A N ALA 87.A O no hydrogen 2.918 N/A THR 82.A N ASN 85.A O no hydrogen 2.885 N/A ARG 83.A NE LEU 153.A O no hydrogen 3.099 N/A ARG 83.A NE ASN 155.A O no hydrogen 3.417 N/A ASN 85.A N THR 82.A O no hydrogen 2.984 N/A MET 86.A N VAL 32.A O no hydrogen 2.935 N/A ALA 87.A N THR 80.A O no hydrogen 2.874 N/A TYR 88.A N LEU 30.A O no hydrogen 2.890 N/A THR 89.A N SER 78.A O no hydrogen 2.898 N/A VAL 90.A N ILE 28.A O no hydrogen 2.881 N/A GLU 91.A N LYS 76.A O no hydrogen 2.908 N/A GLY 92.A N SER 26.A O no hydrogen 3.017 N/A ARG 94.A NH1 GLU 20.A OE1 no hydrogen 3.085 N/A ARG 94.A NH1 GLU 20.A OE2 no hydrogen 2.663 N/A ARG 94.A NH2 GLU 20.A OE1 no hydrogen 3.063 N/A ASP 96.A N ILE 93.A O no hydrogen 3.269 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.634 N/A LEU 100.A N ASP 96.A O no hydrogen 3.051 N/A MET 101.A N ILE 97.A O no hydrogen 2.862 N/A GLU 102.A N GLU 98.A O no hydrogen 2.911 N/A PHE 103.A N ILE 99.A O no hydrogen 2.906 N/A LEU 104.A N LEU 100.A O no hydrogen 2.943 N/A LEU 105.A N MET 101.A O no hydrogen 2.940 N/A ASN 106.A N GLU 102.A O no hydrogen 2.937 N/A ASN 106.A ND2 GLU 102.A OE2 no hydrogen 2.433 N/A VAL 107.A N PHE 103.A O no hydrogen 2.946 N/A THR 108.A N LEU 104.A O no hydrogen 2.926 N/A THR 108.A OG1 LEU 104.A O no hydrogen 3.048 N/A THR 108.A OG1 LEU 105.A O no hydrogen 3.213 N/A THR 109.A N LEU 105.A O no hydrogen 2.939 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.356 N/A ALA 110.A N ASN 106.A O no hydrogen 2.932 N/A GLU 112.A N THR 57.A O no hydrogen 3.138 N/A VAL 118.A N ARG 114.A O no hydrogen 3.265 N/A ALA 119.A N ARG 115.A O no hydrogen 2.956 N/A ALA 120.A N TRP 116.A O no hydrogen 2.923 N/A LEU 121.A N GLU 117.A O no hydrogen 2.900 N/A ARG 122.A N VAL 118.A O no hydrogen 3.008 N/A ARG 122.A NH2 ILE 167.A O no hydrogen 2.448 N/A SER 123.A OG ALA 120.A O no hydrogen 3.079 N/A LEU 125.A N LEU 121.A O no hydrogen 2.932 N/A LYS 126.A N ARG 122.A O no hydrogen 2.989 N/A ILE 127.A N SER 123.A O no hydrogen 2.971 N/A ASP 128.A N GLN 124.A O no hydrogen 2.876 N/A LYS 129.A N LEU 125.A O no hydrogen 2.974 N/A LYS 129.A NZ CYS 159.A O no hydrogen 3.047 N/A LYS 129.A NZ ASP 161.A OD1 no hydrogen 2.997 N/A ALA 130.A N LYS 126.A O no hydrogen 2.991 N/A VAL 131.A N ILE 127.A O no hydrogen 2.943 N/A ALA 132.A N ASP 128.A O no hydrogen 2.910 N/A PHE 133.A N LYS 129.A O no hydrogen 2.896 N/A GLN 134.A N VAL 131.A O no hydrogen 3.347 N/A ILE 140.A N SER 136.A O no hydrogen 2.938 N/A ILE 141.A N GLN 137.A O no hydrogen 2.958 N/A GLU 142.A N THR 138.A O no hydrogen 2.939 N/A ASN 143.A N ARG 139.A O no hydrogen 2.962 N/A LEU 144.A N ILE 140.A O no hydrogen 2.805 N/A HIS 145.A N ILE 141.A O no hydrogen 2.930 N/A HIS 145.A ND1 ILE 141.A O no hydrogen 2.994 N/A ASP 146.A N GLU 142.A O no hydrogen 2.946 N/A VAL 147.A N ASN 143.A O no hydrogen 2.931 N/A ALA 148.A N LEU 144.A O no hydrogen 2.868 N/A TYR 149.A N HIS 145.A O no hydrogen 2.965 N/A TYR 149.A OH SER 300.A OG no hydrogen 2.417 N/A LYS 150.A N LYS 219.A O no hydrogen 2.917 N/A ASN 151.A ND2 LYS 217.A O no hydrogen 3.531 N/A ALA 152.A N ASN 151.A OD1 no hydrogen 2.632 N/A ASN 155.A N ALA 152.A O no hydrogen 3.462 N/A ASN 155.A ND2 SER 36.A O no hydrogen 3.014 N/A ASN 155.A ND2 GLU 39.A O no hydrogen 2.847 N/A LEU 157.A N GLU 142.A OE2 no hydrogen 2.862 N/A CYS 159.A N HIS 48.A ND1 no hydrogen 3.077 N/A CYS 159.A SG PRO 160.A O no hydrogen 3.195 N/A ARG 163.A NH2 GLU 171.A OE1 no hydrogen 2.461 N/A MET 164.A N PRO 160.A O no hydrogen 2.928 N/A LYS 166.A N ARG 163.A O no hydrogen 2.953 N/A THR 168.A OG1 GLU 170.A OE1 no hydrogen 3.118 N/A SER 169.A OG PHE 113.A O no hydrogen 2.912 N/A LEU 172.A N THR 168.A O no hydrogen 2.975 N/A HIS 173.A N SER 169.A O no hydrogen 2.871 N/A HIS 173.A NE2 GLU 112.A O no hydrogen 2.786 N/A TYR 174.A N GLU 170.A O no hydrogen 2.910 N/A PHE 175.A N GLU 171.A O no hydrogen 2.910 N/A VAL 176.A N LEU 172.A O no hydrogen 2.959 N/A GLN 177.A N HIS 173.A O no hydrogen 2.884 N/A ASN 178.A N TYR 174.A O no hydrogen 2.943 N/A ASN 178.A ND2 TYR 174.A O no hydrogen 3.120 N/A HIS 179.A N PHE 175.A O no hydrogen 2.952 N/A HIS 179.A ND1 PHE 175.A O no hydrogen 3.096 N/A PHE 180.A N VAL 176.A O no hydrogen 2.870 N/A THR 181.A OG1 GLY 210.A O no hydrogen 2.962 N/A SER 182.A N ARG 208.A O no hydrogen 3.297 N/A SER 182.A OG ASN 12.A O no hydrogen 3.135 N/A SER 182.A OG ARG 208.A O no hydrogen 2.844 N/A ARG 184.A N THR 181.A O no hydrogen 2.989 N/A ARG 184.A NH1 LEU 213.A O no hydrogen 3.195 N/A ARG 184.A NH2 LYS 33.A O no hydrogen 2.541 N/A ALA 186.A N PHE 31.A O no hydrogen 2.918 N/A LEU 187.A N VAL 15.A O no hydrogen 2.911 N/A VAL 188.A N GLY 29.A O no hydrogen 2.890 N/A GLY 189.A N ALA 17.A O no hydrogen 3.081 N/A LEU 190.A N ARG 27.A O no hydrogen 2.880 N/A GLY 191.A N LEU 19.A O no hydrogen 2.832 N/A SER 193.A OG SER 195.A OG no hydrogen 2.867 N/A SER 195.A OG SER 193.A OG no hydrogen 2.867 N/A LEU 197.A N SER 193.A O no hydrogen 3.002 N/A LYS 198.A N HIS 194.A O no hydrogen 2.868 N/A GLN 199.A N SER 195.A O no hydrogen 2.927 N/A VAL 200.A N VAL 196.A O no hydrogen 2.992 N/A ALA 201.A N LEU 197.A O no hydrogen 2.974 N/A GLU 202.A N LYS 198.A O no hydrogen 2.924 N/A GLN 203.A N GLN 199.A O no hydrogen 2.870 N/A PHE 204.A N VAL 200.A O no hydrogen 2.950 N/A ARG 208.A NE PHE 180.A O no hydrogen 3.258 N/A LEU 213.A N ASN 178.A O no hydrogen 3.108 N/A ALA 218.A N ASP 299.A OD2 no hydrogen 3.204 N/A TYR 220.A OH LYS 402.A O no hydrogen 2.892 N/A ARG 221.A N ALA 148.A O no hydrogen 2.941 N/A GLY 222.A N ALA 148.A O no hydrogen 3.467 N/A GLY 223.A N LYS 403.A O no hydrogen 2.947 N/A ILE 225.A N MET 405.A O no hydrogen 2.943 N/A ARG 226.A NH1 PRO 415.A O no hydrogen 3.019 N/A ARG 226.A NH2 THR 414.A O no hydrogen 2.546 N/A GLU 227.A N ALA 407.A O no hydrogen 2.846 N/A ASN 229.A N GLY 409.A O no hydrogen 2.901 N/A GLY 230.A N GLY 409.A O no hydrogen 3.216 N/A ASP 231.A N ASN 229.A OD1 no hydrogen 3.261 N/A LEU 233.A N ASP 231.A OD1 no hydrogen 3.251 N/A VAL 234.A N SER 309.A O no hydrogen 2.846 N/A HIS 235.A N SER 408.A O no hydrogen 2.919 N/A HIS 235.A ND1 TYR 306.A OH no hydrogen 2.957 N/A ALA 236.A N THR 307.A O no hydrogen 2.903 N/A ALA 237.A N ALA 406.A O no hydrogen 2.900 N/A ILE 238.A N ILE 305.A O no hydrogen 2.947 N/A VAL 239.A N SER 404.A O no hydrogen 2.911 N/A ALA 240.A N PHE 303.A O no hydrogen 2.835 N/A SER 242.A N GLY 301.A O no hydrogen 2.798 N/A SER 242.A OG ALA 243.A O no hydrogen 3.236 N/A ASN 251.A N ASN 247.A O no hydrogen 2.921 N/A ASN 251.A ND2 GLN 382.A OE1 no hydrogen 3.584 N/A ALA 252.A N ALA 248.A O no hydrogen 2.931 N/A PHE 253.A N GLU 249.A O no hydrogen 2.867 N/A SER 254.A N ALA 250.A O no hydrogen 2.935 N/A SER 254.A OG ALA 250.A O no hydrogen 3.245 N/A VAL 255.A N ASN 251.A O no hydrogen 2.962 N/A LEU 256.A N ALA 252.A O no hydrogen 2.881 N/A GLN 257.A N PHE 253.A O no hydrogen 2.861 N/A GLN 257.A NE2 ALA 292.A O no hydrogen 3.619 N/A HIS 258.A N SER 254.A O no hydrogen 2.987 N/A LEU 259.A N VAL 255.A O no hydrogen 2.871 N/A LEU 260.A N LEU 256.A O no hydrogen 2.914 N/A SER 274.A N ASN 271.A O no hydrogen 3.275 N/A GLN 278.A N SER 274.A O no hydrogen 2.924 N/A GLN 278.A NE2 THR 272.A O no hydrogen 2.567 N/A SER 279.A N LEU 275.A O no hydrogen 2.915 N/A SER 279.A OG ALA 320.A O no hydrogen 2.975 N/A VAL 280.A N LEU 276.A O no hydrogen 2.931 N/A ALA 281.A N SER 277.A O no hydrogen 2.889 N/A LYS 282.A N GLN 278.A O no hydrogen 2.936 N/A GLY 283.A N VAL 280.A O no hydrogen 3.004 N/A SER 284.A N VAL 280.A O no hydrogen 2.958 N/A SER 284.A OG GLU 316.A OE2 no hydrogen 3.115 N/A HIS 285.A N HIS 285.A ND1 no hydrogen 2.896 N/A ASP 289.A N ILE 308.A O no hydrogen 2.889 N/A SER 291.A N TYR 306.A O no hydrogen 2.920 N/A ALA 292.A N GLY 261.A O no hydrogen 2.744 N/A PHE 293.A N GLY 304.A O no hydrogen 2.868 N/A ALA 295.A N LEU 302.A O no hydrogen 2.940 N/A TYR 297.A N SER 300.A O no hydrogen 2.851 N/A TYR 297.A OH HIS 145.A NE2 no hydrogen 2.759 N/A SER 298.A N GLU 84.A OE1 no hydrogen 2.724 N/A SER 298.A OG GLU 84.A OE1 no hydrogen 3.341 N/A SER 300.A OG TYR 149.A OH no hydrogen 2.417 N/A LEU 302.A N ALA 295.A O no hydrogen 2.858 N/A PHE 303.A N ALA 240.A O no hydrogen 2.968 N/A GLY 304.A N PHE 293.A O no hydrogen 2.902 N/A ILE 305.A N ILE 238.A O no hydrogen 2.876 N/A TYR 306.A N SER 291.A O no hydrogen 2.899 N/A TYR 306.A OH HIS 235.A ND1 no hydrogen 2.957 N/A THR 307.A N ALA 236.A O no hydrogen 2.893 N/A THR 307.A OG1 ALA 236.A O no hydrogen 3.415 N/A ILE 308.A N ASP 289.A O no hydrogen 2.876 N/A SER 309.A N VAL 234.A O no hydrogen 2.960 N/A VAL 317.A N ALA 313.A O no hydrogen 2.955 N/A ILE 318.A N ALA 314.A O no hydrogen 2.926 N/A ASN 319.A N GLY 315.A O no hydrogen 2.906 N/A ASN 319.A ND2 GLY 315.A O no hydrogen 2.678 N/A ALA 320.A N GLU 316.A O no hydrogen 2.890 N/A ALA 321.A N VAL 317.A O no hydrogen 2.977 N/A TYR 322.A N ILE 318.A O no hydrogen 2.905 N/A ASN 323.A N ASN 319.A O no hydrogen 2.880 N/A GLN 324.A N ALA 320.A O no hydrogen 2.922 N/A VAL 325.A N ALA 321.A O no hydrogen 2.998 N/A LYS 326.A N TYR 322.A O no hydrogen 2.878 N/A ALA 327.A N ASN 323.A O no hydrogen 2.890 N/A VAL 328.A N GLN 324.A O no hydrogen 2.969 N/A ALA 329.A N VAL 325.A O no hydrogen 2.869 N/A GLN 330.A N LYS 326.A O no hydrogen 2.892 N/A GLY 331.A N ALA 327.A O no hydrogen 2.942 N/A ASN 332.A N ALA 327.A O no hydrogen 2.840 N/A ALA 336.A N SER 334.A OG no hydrogen 3.348 N/A VAL 338.A N SER 334.A O no hydrogen 2.941 N/A GLN 339.A N SER 335.A O no hydrogen 2.883 N/A ALA 340.A N ALA 336.A O no hydrogen 2.900 N/A ALA 341.A N ASP 337.A O no hydrogen 2.898 N/A LYS 342.A N VAL 338.A O no hydrogen 2.886 N/A LYS 342.A NZ ASP 384.A O no hydrogen 3.270 N/A LYS 342.A NZ VAL 386.A O no hydrogen 2.766 N/A ASN 343.A N GLN 339.A O no hydrogen 2.919 N/A LYS 344.A N ALA 340.A O no hydrogen 2.896 N/A LEU 345.A N ALA 341.A O no hydrogen 2.913 N/A LYS 346.A N LYS 342.A O no hydrogen 2.928 N/A ALA 347.A N ASN 343.A O no hydrogen 2.930 N/A GLY 348.A N LYS 344.A O no hydrogen 2.898 N/A TYR 349.A N LEU 345.A O no hydrogen 2.923 N/A LEU 350.A N LYS 346.A O no hydrogen 2.962 N/A MET 351.A N ALA 347.A O no hydrogen 2.918 N/A SER 352.A N GLY 348.A O no hydrogen 2.914 N/A SER 352.A OG GLY 348.A O no hydrogen 3.399 N/A SER 352.A OG TYR 349.A O no hydrogen 2.404 N/A VAL 353.A N TYR 349.A O no hydrogen 2.942 N/A GLU 354.A N LEU 350.A O no hydrogen 2.913 N/A PHE 359.A N THR 355.A O no hydrogen 2.781 N/A LEU 360.A N SER 356.A O no hydrogen 2.891 N/A SER 361.A N GLU 357.A O no hydrogen 2.946 N/A GLU 362.A N GLY 358.A O no hydrogen 2.903 N/A ILE 363.A N PHE 359.A O no hydrogen 2.933 N/A GLY 364.A N LEU 360.A O no hydrogen 2.918 N/A SER 365.A N SER 361.A O no hydrogen 2.902 N/A SER 365.A OG SER 361.A O no hydrogen 3.053 N/A GLN 366.A N GLU 362.A O no hydrogen 2.918 N/A GLN 366.A NE2 GLU 362.A OE2 no hydrogen 2.474 N/A GLN 366.A NE2 MET 374.A O no hydrogen 3.520 N/A ALA 367.A N ILE 363.A O no hydrogen 2.893 N/A LEU 368.A N GLY 364.A O no hydrogen 2.945 N/A ALA 369.A N SER 365.A O no hydrogen 2.905 N/A ALA 370.A N GLN 366.A O no hydrogen 2.919 N/A MET 374.A N GLN 366.A OE1 no hydrogen 2.546 N/A THR 378.A N PRO 375.A O no hydrogen 3.168 N/A THR 378.A OG1 PRO 375.A O no hydrogen 2.457 N/A LEU 380.A N PRO 376.A O no hydrogen 2.906 N/A GLN 381.A N SER 377.A O no hydrogen 2.877 N/A GLN 382.A N THR 378.A O no hydrogen 2.868 N/A ILE 383.A N VAL 379.A O no hydrogen 2.933 N/A ASP 384.A N LEU 380.A O no hydrogen 2.930 N/A SER 385.A N GLN 381.A O no hydrogen 2.847 N/A VAL 386.A N GLN 382.A O no hydrogen 2.984 N/A VAL 386.A N ILE 383.A O no hydrogen 3.291 N/A VAL 391.A N ALA 387.A O no hydrogen 3.413 N/A VAL 392.A N ASP 388.A O no hydrogen 2.954 N/A LYS 393.A N ALA 389.A O no hydrogen 2.891 N/A ALA 394.A N ASP 390.A O no hydrogen 2.883 N/A ALA 395.A N VAL 391.A O no hydrogen 2.950 N/A LYS 396.A N VAL 392.A O no hydrogen 2.893 N/A LYS 397.A N LYS 393.A O no hydrogen 2.867 N/A PHE 398.A N ALA 394.A O no hydrogen 2.935 N/A VAL 399.A N ALA 395.A O no hydrogen 2.941 N/A SER 400.A N LYS 396.A O no hydrogen 2.902 N/A SER 400.A OG LYS 396.A O no hydrogen 3.259 N/A GLY 401.A N LYS 397.A O no hydrogen 2.902 N/A LYS 403.A NZ TYR 322.A OH no hydrogen 2.686 N/A LYS 403.A NZ VAL 399.A O no hydrogen 3.123 N/A LYS 403.A NZ GLY 401.A O no hydrogen 3.461 N/A SER 404.A N VAL 239.A O no hydrogen 2.873 N/A SER 404.A OG TYR 220.A OH no hydrogen 2.712 N/A MET 405.A N GLY 223.A O no hydrogen 2.873 N/A ALA 406.A N ALA 237.A O no hydrogen 2.947 N/A ALA 407.A N ILE 225.A O no hydrogen 2.981 N/A SER 408.A N HIS 235.A O no hydrogen 2.899 N/A GLY 409.A N GLU 227.A O no hydrogen 2.934 N/A PHE 416.A N GLU 419.A OE1 no hydrogen 2.755 N/A LEU 420.A N LEU 417.A O no hydrogen 3.251 N/A