Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gmk_v.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): UNK 5.A N UNK 1.A O no hydrogen 2.903 N/A UNK 6.A N UNK 2.A O no hydrogen 2.914 N/A UNK 7.A N UNK 4.A O no hydrogen 3.166 N/A UNK 11.A N UNK 8.A O no hydrogen 3.116 N/A UNK 12.A N UNK 8.A O no hydrogen 3.373 N/A UNK 13.A N UNK 9.A O no hydrogen 2.921 N/A UNK 14.A N UNK 10.A O no hydrogen 2.907 N/A UNK 15.A N UNK 11.A O no hydrogen 2.905 N/A UNK 16.A N UNK 12.A O no hydrogen 2.909 N/A UNK 17.A N UNK 13.A O no hydrogen 2.908 N/A UNK 18.A N UNK 14.A O no hydrogen 2.898 N/A UNK 19.A N UNK 15.A O no hydrogen 2.900 N/A UNK 20.A N UNK 16.A O no hydrogen 2.915 N/A UNK 21.A N UNK 17.A O no hydrogen 2.912 N/A UNK 22.A N UNK 19.A O no hydrogen 3.178 N/A UNK 26.A N UNK 23.A O no hydrogen 3.203 N/A UNK 27.A N UNK 23.A O no hydrogen 3.452 N/A UNK 28.A N UNK 24.A O no hydrogen 2.908 N/A UNK 29.A N UNK 25.A O no hydrogen 2.918 N/A UNK 30.A N UNK 26.A O no hydrogen 2.902 N/A UNK 31.A N UNK 27.A O no hydrogen 2.892 N/A UNK 32.A N UNK 28.A O no hydrogen 2.920 N/A UNK 33.A N UNK 29.A O no hydrogen 2.905 N/A UNK 34.A N UNK 30.A O no hydrogen 2.899 N/A UNK 35.A N UNK 31.A O no hydrogen 2.907 N/A UNK 36.A N UNK 32.A O no hydrogen 2.915 N/A UNK 36.A N UNK 33.A O no hydrogen 3.069 N/A UNK 40.A N UNK 37.A O no hydrogen 3.119 N/A UNK 41.A N UNK 37.A O no hydrogen 3.390 N/A UNK 42.A N UNK 38.A O no hydrogen 2.911 N/A UNK 43.A N UNK 39.A O no hydrogen 2.906 N/A UNK 44.A N UNK 40.A O no hydrogen 2.906 N/A UNK 45.A N UNK 41.A O no hydrogen 2.899 N/A UNK 46.A N UNK 42.A O no hydrogen 2.919 N/A UNK 47.A N UNK 43.A O no hydrogen 2.945 N/A UNK 48.A N UNK 44.A O no hydrogen 2.935 N/A UNK 49.A N UNK 45.A O no hydrogen 2.908 N/A UNK 50.A N UNK 46.A O no hydrogen 2.917 N/A UNK 50.A N UNK 47.A O no hydrogen 3.179 N/A UNK 57.A N UNK 53.A O no hydrogen 2.898 N/A UNK 58.A N UNK 54.A O no hydrogen 2.919 N/A UNK 59.A N UNK 55.A O no hydrogen 2.905 N/A UNK 60.A N UNK 56.A O no hydrogen 2.884 N/A UNK 61.A N UNK 57.A O no hydrogen 2.909 N/A UNK 62.A N UNK 58.A O no hydrogen 2.913 N/A UNK 63.A N UNK 59.A O no hydrogen 2.894 N/A UNK 63.A N UNK 60.A O no hydrogen 3.242 N/A UNK 64.A N UNK 60.A O no hydrogen 2.902 N/A UNK 69.A N UNK 66.A O no hydrogen 3.126 N/A UNK 70.A N UNK 67.A O no hydrogen 3.208 N/A UNK 71.A N UNK 67.A O no hydrogen 2.901 N/A UNK 72.A N UNK 68.A O no hydrogen 2.911 N/A UNK 74.A N UNK 70.A O no hydrogen 2.799 N/A UNK 75.A N UNK 71.A O no hydrogen 2.904 N/A UNK 76.A N UNK 72.A O no hydrogen 2.900 N/A UNK 77.A N UNK 73.A O no hydrogen 2.898 N/A UNK 78.A N UNK 74.A O no hydrogen 2.901 N/A UNK 79.A N UNK 75.A O no hydrogen 2.914 N/A UNK 79.A N UNK 76.A O no hydrogen 3.172 N/A UNK 83.A N UNK 80.A O no hydrogen 3.179 N/A UNK 85.A N UNK 81.A O no hydrogen 2.897 N/A UNK 86.A N UNK 82.A O no hydrogen 2.904 N/A UNK 87.A N UNK 83.A O no hydrogen 2.897 N/A UNK 88.A N UNK 84.A O no hydrogen 2.900 N/A UNK 89.A N UNK 85.A O no hydrogen 2.898 N/A UNK 90.A N UNK 86.A O no hydrogen 2.911 N/A UNK 91.A N UNK 87.A O no hydrogen 2.892 N/A UNK 92.A N UNK 88.A O no hydrogen 2.886 N/A UNK 93.A N UNK 89.A O no hydrogen 2.902 N/A UNK 94.A N UNK 91.A O no hydrogen 3.091 N/A UNK 99.A N UNK 95.A O no hydrogen 2.869 N/A UNK 100.A N UNK 96.A O no hydrogen 2.897 N/A UNK 101.A N UNK 97.A O no hydrogen 2.907 N/A UNK 102.A N UNK 98.A O no hydrogen 2.908 N/A UNK 103.A N UNK 99.A O no hydrogen 2.907 N/A UNK 104.A N UNK 100.A O no hydrogen 2.898 N/A UNK 105.A N UNK 101.A O no hydrogen 2.911 N/A UNK 106.A N UNK 102.A O no hydrogen 2.916 N/A UNK 107.A N UNK 103.A O no hydrogen 2.917 N/A UNK 111.A N UNK 108.A O no hydrogen 3.154 N/A UNK 113.A N UNK 109.A O no hydrogen 2.909 N/A UNK 114.A N UNK 110.A O no hydrogen 2.905 N/A UNK 115.A N UNK 111.A O no hydrogen 2.903 N/A UNK 116.A N UNK 112.A O no hydrogen 2.901 N/A UNK 117.A N UNK 113.A O no hydrogen 2.909 N/A UNK 118.A N UNK 114.A O no hydrogen 2.901 N/A UNK 119.A N UNK 115.A O no hydrogen 2.907 N/A UNK 120.A N UNK 116.A O no hydrogen 2.909 N/A UNK 121.A N UNK 117.A O no hydrogen 2.905 N/A UNK 122.A N UNK 118.A O no hydrogen 2.904 N/A UNK 123.A N UNK 119.A O no hydrogen 2.914 N/A UNK 124.A N UNK 121.A O no hydrogen 3.167 N/A UNK 128.A N UNK 125.A O no hydrogen 3.116 N/A UNK 129.A N UNK 125.A O no hydrogen 3.374 N/A UNK 130.A N UNK 126.A O no hydrogen 2.922 N/A UNK 131.A N UNK 127.A O no hydrogen 2.906 N/A UNK 132.A N UNK 128.A O no hydrogen 2.905 N/A UNK 133.A N UNK 129.A O no hydrogen 2.909 N/A UNK 134.A N UNK 130.A O no hydrogen 2.908 N/A UNK 135.A N UNK 131.A O no hydrogen 2.898 N/A UNK 136.A N UNK 132.A O no hydrogen 2.900 N/A UNK 137.A N UNK 133.A O no hydrogen 2.914 N/A UNK 138.A N UNK 134.A O no hydrogen 2.911 N/A UNK 139.A N UNK 136.A O no hydrogen 3.178 N/A UNK 143.A N UNK 140.A O no hydrogen 3.203 N/A UNK 144.A N UNK 140.A O no hydrogen 3.452 N/A UNK 145.A N UNK 141.A O no hydrogen 2.908 N/A UNK 146.A N UNK 142.A O no hydrogen 2.918 N/A UNK 147.A N UNK 143.A O no hydrogen 2.902 N/A UNK 148.A N UNK 144.A O no hydrogen 2.892 N/A UNK 149.A N UNK 145.A O no hydrogen 2.919 N/A UNK 150.A N UNK 146.A O no hydrogen 2.904 N/A UNK 151.A N UNK 147.A O no hydrogen 2.899 N/A UNK 152.A N UNK 148.A O no hydrogen 2.907 N/A UNK 153.A N UNK 149.A O no hydrogen 2.915 N/A UNK 153.A N UNK 150.A O no hydrogen 3.069 N/A UNK 154.A N UNK 151.A O no hydrogen 3.120 N/A UNK 158.A N UNK 155.A O no hydrogen 3.119 N/A UNK 159.A N UNK 155.A O no hydrogen 3.389 N/A UNK 160.A N UNK 156.A O no hydrogen 2.911 N/A UNK 161.A N UNK 157.A O no hydrogen 2.906 N/A UNK 162.A N UNK 158.A O no hydrogen 2.906 N/A UNK 163.A N UNK 159.A O no hydrogen 2.900 N/A UNK 164.A N UNK 160.A O no hydrogen 2.919 N/A UNK 165.A N UNK 161.A O no hydrogen 2.945 N/A UNK 166.A N UNK 162.A O no hydrogen 2.935 N/A UNK 167.A N UNK 163.A O no hydrogen 2.907 N/A UNK 168.A N UNK 164.A O no hydrogen 2.917 N/A UNK 168.A N UNK 165.A O no hydrogen 3.179 N/A UNK 177.A N UNK 173.A O no hydrogen 2.898 N/A UNK 178.A N UNK 174.A O no hydrogen 2.918 N/A UNK 179.A N UNK 175.A O no hydrogen 2.906 N/A UNK 180.A N UNK 176.A O no hydrogen 2.884 N/A UNK 181.A N UNK 177.A O no hydrogen 2.909 N/A UNK 182.A N UNK 178.A O no hydrogen 2.913 N/A UNK 183.A N UNK 179.A O no hydrogen 2.894 N/A UNK 183.A N UNK 180.A O no hydrogen 3.242 N/A UNK 184.A N UNK 180.A O no hydrogen 2.902 N/A UNK 189.A N UNK 186.A O no hydrogen 3.126 N/A UNK 190.A N UNK 187.A O no hydrogen 3.208 N/A UNK 191.A N UNK 187.A O no hydrogen 2.900 N/A UNK 192.A N UNK 188.A O no hydrogen 2.911 N/A UNK 194.A N UNK 190.A O no hydrogen 2.799 N/A UNK 195.A N UNK 191.A O no hydrogen 2.904 N/A UNK 196.A N UNK 192.A O no hydrogen 2.900 N/A UNK 197.A N UNK 193.A O no hydrogen 2.898 N/A UNK 198.A N UNK 194.A O no hydrogen 2.902 N/A UNK 199.A N UNK 195.A O no hydrogen 2.914 N/A UNK 199.A N UNK 196.A O no hydrogen 3.172 N/A UNK 200.A N UNK 197.A O no hydrogen 3.202 N/A UNK 204.A N UNK 201.A O no hydrogen 3.178 N/A UNK 206.A N UNK 202.A O no hydrogen 2.897 N/A UNK 207.A N UNK 203.A O no hydrogen 2.904 N/A UNK 208.A N UNK 204.A O no hydrogen 2.897 N/A UNK 209.A N UNK 205.A O no hydrogen 2.900 N/A UNK 210.A N UNK 206.A O no hydrogen 2.898 N/A UNK 211.A N UNK 207.A O no hydrogen 2.911 N/A UNK 212.A N UNK 208.A O no hydrogen 2.892 N/A UNK 213.A N UNK 209.A O no hydrogen 2.886 N/A UNK 214.A N UNK 210.A O no hydrogen 2.903 N/A UNK 215.A N UNK 212.A O no hydrogen 3.091 N/A UNK 220.A N UNK 216.A O no hydrogen 2.869 N/A UNK 221.A N UNK 217.A O no hydrogen 2.897 N/A UNK 222.A N UNK 218.A O no hydrogen 2.907 N/A UNK 223.A N UNK 219.A O no hydrogen 2.907 N/A UNK 224.A N UNK 220.A O no hydrogen 2.906 N/A UNK 225.A N UNK 221.A O no hydrogen 2.898 N/A UNK 226.A N UNK 222.A O no hydrogen 2.911 N/A UNK 227.A N UNK 223.A O no hydrogen 2.916 N/A UNK 228.A N UNK 224.A O no hydrogen 2.918 N/A UNK 229.A N UNK 225.A O no hydrogen 2.895 N/A UNK 238.A N UNK 234.A O no hydrogen 2.722 N/A UNK 239.A N UNK 235.A O no hydrogen 2.905 N/A UNK 240.A N UNK 236.A O no hydrogen 2.918 N/A UNK 241.A N UNK 237.A O no hydrogen 2.895 N/A UNK 242.A N UNK 238.A O no hydrogen 2.898 N/A UNK 243.A N UNK 239.A O no hydrogen 2.905 N/A UNK 244.A N UNK 240.A O no hydrogen 2.907 N/A UNK 245.A N UNK 241.A O no hydrogen 2.915 N/A UNK 246.A N UNK 242.A O no hydrogen 2.903 N/A UNK 247.A N UNK 243.A O no hydrogen 2.914 N/A UNK 247.A N UNK 244.A O no hydrogen 3.165 N/A UNK 254.A N UNK 250.A O no hydrogen 3.076 N/A UNK 255.A N UNK 251.A O no hydrogen 2.906 N/A UNK 256.A N UNK 252.A O no hydrogen 2.923 N/A UNK 257.A N UNK 253.A O no hydrogen 2.889 N/A UNK 258.A N UNK 254.A O no hydrogen 2.892 N/A UNK 259.A N UNK 255.A O no hydrogen 2.918 N/A UNK 260.A N UNK 256.A O no hydrogen 2.899 N/A UNK 261.A N UNK 257.A O no hydrogen 2.877 N/A UNK 262.A N UNK 258.A O no hydrogen 2.919 N/A UNK 263.A N UNK 259.A O no hydrogen 2.901 N/A UNK 264.A N UNK 260.A O no hydrogen 3.135 N/A UNK 264.A N UNK 261.A O no hydrogen 3.216 N/A UNK 272.A N UNK 268.A O no hydrogen 3.163 N/A UNK 273.A N UNK 269.A O no hydrogen 2.932 N/A UNK 274.A N UNK 271.A O no hydrogen 3.055 N/A UNK 276.A N UNK 273.A O no hydrogen 3.113 N/A UNK 277.A N UNK 274.A O no hydrogen 2.988 N/A UNK 278.A N UNK 275.A O no hydrogen 3.111 N/A UNK 283.A N UNK 279.A O no hydrogen 2.796 N/A UNK 284.A N UNK 280.A O no hydrogen 2.901 N/A UNK 285.A N UNK 281.A O no hydrogen 2.907 N/A UNK 286.A N UNK 282.A O no hydrogen 2.903 N/A UNK 287.A N UNK 283.A O no hydrogen 2.906 N/A UNK 288.A N UNK 284.A O no hydrogen 2.829 N/A UNK 289.A N UNK 285.A O no hydrogen 2.818 N/A UNK 290.A N UNK 286.A O no hydrogen 2.898 N/A UNK 291.A N UNK 287.A O no hydrogen 3.094 N/A UNK 292.A N UNK 288.A O no hydrogen 2.913 N/A UNK 293.A N UNK 289.A O no hydrogen 2.901 N/A UNK 294.A N UNK 291.A O no hydrogen 3.198 N/A UNK 296.A N UNK 293.A O no hydrogen 2.850 N/A UNK 302.A N UNK 298.A O no hydrogen 2.911 N/A UNK 303.A N UNK 299.A O no hydrogen 2.913 N/A UNK 304.A N UNK 300.A O no hydrogen 2.911 N/A UNK 305.A N UNK 301.A O no hydrogen 2.913 N/A UNK 306.A N UNK 302.A O no hydrogen 2.909 N/A UNK 307.A N UNK 303.A O no hydrogen 2.904 N/A UNK 308.A N UNK 304.A O no hydrogen 2.903 N/A UNK 309.A N UNK 305.A O no hydrogen 2.928 N/A UNK 310.A N UNK 307.A O no hydrogen 3.019 N/A UNK 311.A N UNK 308.A O no hydrogen 2.961 N/A UNK 315.A N UNK 312.A O no hydrogen 2.975 N/A UNK 316.A N UNK 312.A O no hydrogen 3.427 N/A UNK 317.A N UNK 313.A O no hydrogen 2.905 N/A UNK 318.A N UNK 315.A O no hydrogen 2.863 N/A UNK 319.A N UNK 315.A O no hydrogen 2.923 N/A UNK 320.A N UNK 316.A O no hydrogen 2.918 N/A UNK 321.A N UNK 317.A O no hydrogen 2.877 N/A UNK 322.A N UNK 318.A O no hydrogen 2.881 N/A UNK 323.A N UNK 319.A O no hydrogen 2.943 N/A UNK 324.A N UNK 321.A O no hydrogen 2.805 N/A UNK 325.A N UNK 322.A O no hydrogen 3.296 N/A UNK 332.A N UNK 328.A O no hydrogen 2.811 N/A UNK 333.A N UNK 329.A O no hydrogen 2.883 N/A UNK 334.A N UNK 330.A O no hydrogen 2.931 N/A UNK 335.A N UNK 331.A O no hydrogen 2.897 N/A UNK 336.A N UNK 332.A O no hydrogen 2.879 N/A UNK 337.A N UNK 333.A O no hydrogen 2.905 N/A UNK 338.A N UNK 334.A O no hydrogen 3.113 N/A UNK 339.A N UNK 336.A O no hydrogen 2.954 N/A UNK 340.A N UNK 336.A O no hydrogen 2.918 N/A UNK 341.A N UNK 337.A O no hydrogen 2.891 N/A UNK 342.A N UNK 338.A O no hydrogen 2.875 N/A UNK 343.A N UNK 339.A O no hydrogen 2.887 N/A UNK 344.A N UNK 340.A O no hydrogen 2.882 N/A UNK 345.A N UNK 342.A O no hydrogen 3.115 N/A UNK 348.A N UNK 346.A O no hydrogen 2.934 N/A UNK 350.A N UNK 347.A O no hydrogen 3.017 N/A UNK 351.A N UNK 347.A O no hydrogen 3.218 N/A UNK 352.A N UNK 348.A O no hydrogen 2.899 N/A UNK 353.A N UNK 349.A O no hydrogen 2.903 N/A UNK 354.A N UNK 350.A O no hydrogen 2.878 N/A UNK 355.A N UNK 351.A O no hydrogen 2.898 N/A UNK 356.A N UNK 352.A O no hydrogen 2.902 N/A UNK 357.A N UNK 353.A O no hydrogen 2.900 N/A UNK 358.A N UNK 354.A O no hydrogen 2.866 N/A UNK 359.A N UNK 355.A O no hydrogen 2.890 N/A UNK 360.A N UNK 356.A O no hydrogen 2.913 N/A UNK 361.A N UNK 357.A O no hydrogen 2.906 N/A UNK 362.A N UNK 358.A O no hydrogen 2.854 N/A UNK 363.A N UNK 359.A O no hydrogen 2.915 N/A UNK 364.A N UNK 361.A O no hydrogen 3.123 N/A UNK 366.A N UNK 362.A O no hydrogen 3.239 N/A UNK 366.A N UNK 363.A O no hydrogen 3.022 N/A UNK 373.A N UNK 369.A O no hydrogen 2.528 N/A UNK 374.A N UNK 370.A O no hydrogen 2.885 N/A UNK 375.A N UNK 371.A O no hydrogen 2.901 N/A UNK 376.A N UNK 372.A O no hydrogen 2.874 N/A UNK 376.A N UNK 373.A O no hydrogen 3.249 N/A UNK 377.A N UNK 373.A O no hydrogen 2.884 N/A UNK 378.A N UNK 374.A O no hydrogen 2.870 N/A UNK 379.A N UNK 375.A O no hydrogen 3.100 N/A UNK 380.A N UNK 376.A O no hydrogen 2.887 N/A UNK 381.A N UNK 377.A O no hydrogen 2.907 N/A UNK 382.A N UNK 378.A O no hydrogen 2.852 N/A UNK 383.A N UNK 379.A O no hydrogen 2.948 N/A UNK 384.A N UNK 381.A O no hydrogen 3.056 N/A UNK 385.A N UNK 381.A O no hydrogen 2.848 N/A UNK 386.A N UNK 382.A O no hydrogen 2.909 N/A UNK 387.A N UNK 383.A O no hydrogen 2.880 N/A UNK 388.A N UNK 384.A O no hydrogen 2.879 N/A UNK 389.A N UNK 385.A O no hydrogen 2.882 N/A UNK 390.A N UNK 387.A O no hydrogen 3.033 N/A UNK 391.A N UNK 386.A O no hydrogen 2.346 N/A UNK 396.A N UNK 392.A O no hydrogen 2.836 N/A UNK 397.A N UNK 393.A O no hydrogen 2.875 N/A UNK 398.A N UNK 394.A O no hydrogen 2.913 N/A UNK 399.A N UNK 395.A O no hydrogen 2.879 N/A UNK 400.A N UNK 396.A O no hydrogen 2.903 N/A UNK 401.A N UNK 397.A O no hydrogen 2.870 N/A UNK 402.A N UNK 398.A O no hydrogen 2.900 N/A UNK 403.A N UNK 399.A O no hydrogen 2.911 N/A UNK 404.A N UNK 400.A O no hydrogen 2.908 N/A UNK 405.A N UNK 401.A O no hydrogen 2.903 N/A UNK 406.A N UNK 403.A O no hydrogen 3.123 N/A UNK 412.A N UNK 408.A O no hydrogen 2.263 N/A UNK 413.A N UNK 409.A O no hydrogen 2.879 N/A UNK 414.A N UNK 410.A O no hydrogen 2.949 N/A UNK 415.A N UNK 411.A O no hydrogen 2.856 N/A UNK 416.A N UNK 412.A O no hydrogen 2.870 N/A UNK 417.A N UNK 413.A O no hydrogen 2.905 N/A UNK 418.A N UNK 414.A O no hydrogen 2.895 N/A UNK 419.A N UNK 415.A O no hydrogen 2.841 N/A UNK 420.A N UNK 417.A O no hydrogen 3.005 N/A UNK 421.A N UNK 417.A O no hydrogen 2.884 N/A UNK 422.A N UNK 418.A O no hydrogen 2.914 N/A UNK 424.A N UNK 420.A O no hydrogen 2.899 N/A UNK 425.A N UNK 421.A O no hydrogen 2.912 N/A UNK 426.A N UNK 422.A O no hydrogen 2.872 N/A UNK 426.A N UNK 423.A O no hydrogen 3.274 N/A UNK 427.A N UNK 423.A O no hydrogen 2.889 N/A UNK 428.A N UNK 424.A O no hydrogen 2.542 N/A UNK 435.A N UNK 431.A O no hydrogen 3.349 N/A UNK 436.A N UNK 432.A O no hydrogen 2.909 N/A UNK 437.A N UNK 434.A O no hydrogen 2.766 N/A UNK 438.A N UNK 434.A O no hydrogen 2.933 N/A UNK 439.A N UNK 435.A O no hydrogen 2.891 N/A UNK 441.A N UNK 437.A O no hydrogen 2.940 N/A UNK 442.A N UNK 438.A O no hydrogen 2.918 N/A UNK 443.A N UNK 439.A O no hydrogen 2.862 N/A UNK 444.A N UNK 440.A O no hydrogen 2.930 N/A UNK 445.A N UNK 441.A O no hydrogen 2.945 N/A UNK 445.A N UNK 442.A O no hydrogen 2.886 N/A UNK 446.A N UNK 443.A O no hydrogen 2.933 N/A UNK 450.A N UNK 447.A O no hydrogen 2.984 N/A UNK 451.A N UNK 448.A O no hydrogen 3.130 N/A UNK 452.A N UNK 449.A O no hydrogen 3.333 N/A UNK 454.A N UNK 450.A O no hydrogen 2.908 N/A UNK 455.A N UNK 451.A O no hydrogen 2.879 N/A UNK 456.A N UNK 452.A O no hydrogen 2.935 N/A UNK 457.A N UNK 454.A O no hydrogen 2.710 N/A UNK 458.A N UNK 454.A O no hydrogen 2.355 N/A UNK 460.A N UNK 457.A O no hydrogen 3.173 N/A UNK 461.A N UNK 457.A O no hydrogen 2.771 N/A UNK 463.A N UNK 460.A O no hydrogen 3.114 N/A TYR 469.A N THR 465.A O no hydrogen 2.836 N/A TYR 469.A N LYS 466.A O no hydrogen 2.940 N/A TYR 469.A OH MET 479.A O no hydrogen 2.625 N/A ASN 470.A N LYS 466.A O no hydrogen 2.896 N/A THR 471.A N MET 467.A O no hydrogen 2.980 N/A VAL 472.A N TYR 469.A O no hydrogen 2.949 N/A ASP 474.A N ASN 470.A O no hydrogen 3.051 N/A LEU 475.A N VAL 472.A O no hydrogen 2.671 N/A MET 479.A N THR 476.A O no hydrogen 2.979 N/A ALA 480.A N THR 476.A O no hydrogen 3.300 N/A GLU 481.A N PRO 477.A O no hydrogen 2.944 N/A ASN 482.A N ALA 478.A O no hydrogen 2.963 N/A PHE 483.A N MET 479.A O no hydrogen 2.953 N/A ALA 484.A N ALA 480.A O no hydrogen 2.925 N/A LEU 485.A N GLU 481.A O no hydrogen 2.901 N/A PHE 486.A N ASN 482.A O no hydrogen 2.966 N/A LEU 487.A N PHE 483.A O no hydrogen 3.259 N/A GLN 488.A N ALA 484.A O no hydrogen 2.897 N/A ASN 489.A N LEU 485.A O no hydrogen 2.896 N/A HIS 490.A N PHE 486.A O no hydrogen 2.936 N/A TYR 491.A N GLN 488.A O no hydrogen 2.834 N/A GLU 492.A N LEU 487.A O no hydrogen 2.785 N/A GLU 495.A N GLU 492.A O no hydrogen 3.208 N/A SER 496.A OG VAL 493.A O no hydrogen 2.085 N/A PHE 497.A N VAL 493.A O no hydrogen 3.095 N/A GLN 498.A N MET 494.A O no hydrogen 3.147 N/A VAL 499.A N SER 496.A O no hydrogen 2.942 N/A GLU 501.A N PHE 497.A O no hydrogen 3.189 N/A LYS 502.A N GLN 498.A O no hydrogen 3.051 N/A THR 503.A N VAL 499.A O no hydrogen 2.882 N/A ILE 504.A N TYR 500.A O no hydrogen 3.341 N/A LEU 506.A N THR 503.A O no hydrogen 2.909 N/A PHE 507.A N THR 503.A O no hydrogen 3.437 N/A GLN 512.A N PRO 508.A O no hydrogen 3.108 N/A LEU 515.A N ILE 511.A O no hydrogen 3.067 N/A TRP 516.A N TYR 513.A O no hydrogen 2.846 N/A ILE 517.A N TYR 513.A O no hydrogen 2.984 N/A TYR 519.A N LEU 515.A O no hydrogen 3.022 N/A LEU 520.A N TRP 516.A O no hydrogen 2.872 N/A GLU 521.A N ILE 517.A O no hydrogen 3.216 N/A VAL 522.A N GLU 518.A O no hydrogen 2.960 N/A ALA 523.A N TYR 519.A O no hydrogen 2.923 N/A THR 524.A N LEU 520.A O no hydrogen 2.957 N/A HIS 526.A N VAL 522.A O no hydrogen 2.950 N/A HIS 526.A N ALA 523.A O no hydrogen 3.106 N/A ARG 534.A N PRO 530.A O no hydrogen 2.886 N/A ARG 534.A NH1 ARG 534.A O no hydrogen 2.938 N/A PHE 535.A N GLU 531.A O no hydrogen 2.942 N/A LEU 536.A N HIS 532.A O no hydrogen 2.912 N/A PHE 537.A N ILE 533.A O no hydrogen 2.951 N/A GLU 538.A N ARG 534.A O no hydrogen 2.987 N/A LYS 539.A N PHE 535.A O no hydrogen 2.904 N/A ALA 540.A N LEU 536.A O no hydrogen 2.920 N/A LEU 541.A N GLU 538.A O no hydrogen 3.327 N/A PHE 546.A N LYS 543.A O no hydrogen 3.047 N/A ILE 547.A N THR 544.A O no hydrogen 2.863 N/A ALA 548.A N THR 544.A O no hydrogen 2.933 N/A TYR 549.A N ILE 545.A O no hydrogen 2.903 N/A SER 550.A N PHE 546.A O no hydrogen 2.866 N/A VAL 551.A N ILE 547.A O no hydrogen 2.916 N/A PHE 552.A N ALA 548.A O no hydrogen 2.922 N/A GLU 553.A N TYR 549.A O no hydrogen 2.956 N/A GLU 554.A N SER 550.A O no hydrogen 3.250 N/A ARG 555.A N PHE 552.A O no hydrogen 3.169 N/A ILE 556.A N GLU 553.A O no hydrogen 3.422 N/A SER 561.A OG ILE 558.A O no hydrogen 2.222 N/A ILE 562.A N ILE 558.A O no hydrogen 2.969 N/A GLU 563.A N SER 559.A O no hydrogen 2.735 N/A ILE 564.A N LYS 560.A O no hydrogen 2.948 N/A LEU 565.A N SER 561.A O no hydrogen 2.931 N/A ARG 566.A N ILE 562.A O no hydrogen 2.919 N/A ARG 567.A N ILE 564.A O no hydrogen 2.819 N/A ARG 572.A N LEU 568.A O no hydrogen 2.915 N/A MET 573.A N GLN 569.A O no hydrogen 2.902 N/A CYS 574.A N LEU 570.A O no hydrogen 2.915 N/A CYS 574.A SG LEU 570.A O no hydrogen 2.704 N/A CYS 574.A SG TRP 571.A O no hydrogen 2.880 N/A ILE 575.A N TRP 571.A O no hydrogen 3.185 N/A SER 576.A N ARG 572.A O no hydrogen 3.279 N/A LYS 577.A N MET 573.A O no hydrogen 3.190 N/A ALA 578.A N CYS 574.A O no hydrogen 3.014 N/A GLU 579.A N ILE 575.A O no hydrogen 2.833 N/A SER 580.A N SER 576.A O no hydrogen 2.940 N/A SER 580.A OG SER 576.A O no hydrogen 2.941 N/A THR 581.A N LYS 577.A O no hydrogen 2.969 N/A THR 581.A OG1 LYS 577.A O no hydrogen 3.298 N/A LEU 582.A N ALA 578.A O no hydrogen 3.123 N/A LEU 582.A N GLU 579.A O no hydrogen 3.063 N/A GLY 583.A N SER 580.A O no hydrogen 2.926 N/A THR 587.A N PRO 584.A O no hydrogen 3.075 N/A THR 587.A OG1 PRO 584.A O no hydrogen 2.149 N/A LEU 590.A N VAL 586.A O no hydrogen 2.627 N/A TYR 591.A N THR 587.A O no hydrogen 3.333 N/A GLN 592.A N GLU 589.A O no hydrogen 3.278 N/A CYS 594.A N LEU 590.A O no hydrogen 2.835 N/A ILE 595.A N TYR 591.A O no hydrogen 2.802 N/A UNK 600.A N UNK 597.A O no hydrogen 2.904 N/A UNK 601.A N UNK 598.A O no hydrogen 2.839 N/A UNK 602.A N UNK 598.A O no hydrogen 2.902 N/A UNK 603.A N UNK 599.A O no hydrogen 2.876 N/A UNK 604.A N UNK 600.A O no hydrogen 2.895 N/A UNK 605.A N UNK 601.A O no hydrogen 2.909 N/A UNK 606.A N UNK 602.A O no hydrogen 2.869 N/A UNK 607.A N UNK 603.A O no hydrogen 2.893 N/A UNK 609.A N UNK 605.A O no hydrogen 3.183 N/A UNK 610.A N UNK 606.A O no hydrogen 3.291 N/A UNK 612.A N UNK 608.A O no hydrogen 3.136 N/A UNK 612.A N UNK 609.A O no hydrogen 3.294 N/A UNK 613.A N UNK 610.A O no hydrogen 2.720 N/A UNK 620.A N UNK 616.A O no hydrogen 2.905 N/A UNK 621.A N UNK 617.A O no hydrogen 2.902 N/A UNK 622.A N UNK 618.A O no hydrogen 2.916 N/A UNK 623.A N UNK 619.A O no hydrogen 2.907 N/A UNK 624.A N UNK 620.A O no hydrogen 2.871 N/A UNK 625.A N UNK 621.A O no hydrogen 2.966 N/A UNK 626.A N UNK 622.A O no hydrogen 2.886 N/A UNK 627.A N UNK 623.A O no hydrogen 2.854 N/A UNK 628.A N UNK 624.A O no hydrogen 2.907 N/A UNK 629.A N UNK 625.A O no hydrogen 2.884 N/A UNK 630.A N UNK 627.A O no hydrogen 2.870 N/A UNK 638.A N UNK 634.A O no hydrogen 3.085 N/A UNK 639.A N UNK 635.A O no hydrogen 2.920 N/A UNK 640.A N UNK 636.A O no hydrogen 2.903 N/A UNK 641.A N UNK 637.A O no hydrogen 2.907 N/A UNK 642.A N UNK 638.A O no hydrogen 2.891 N/A UNK 643.A N UNK 639.A O no hydrogen 2.903 N/A UNK 644.A N UNK 640.A O no hydrogen 2.891 N/A UNK 645.A N UNK 641.A O no hydrogen 2.906 N/A UNK 646.A N UNK 642.A O no hydrogen 2.876 N/A UNK 647.A N UNK 643.A O no hydrogen 2.892 N/A UNK 648.A N UNK 645.A O no hydrogen 3.424 N/A UNK 655.A N UNK 651.A O no hydrogen 3.176 N/A UNK 656.A N UNK 652.A O no hydrogen 2.771 N/A UNK 657.A N UNK 653.A O no hydrogen 2.903 N/A UNK 658.A N UNK 654.A O no hydrogen 2.893 N/A UNK 659.A N UNK 655.A O no hydrogen 2.903 N/A UNK 660.A N UNK 656.A O no hydrogen 2.897 N/A UNK 661.A N UNK 657.A O no hydrogen 2.903 N/A UNK 662.A N UNK 658.A O no hydrogen 2.917 N/A UNK 663.A N UNK 659.A O no hydrogen 2.880 N/A UNK 664.A N UNK 660.A O no hydrogen 2.889 N/A UNK 665.A N UNK 661.A O no hydrogen 2.907 N/A UNK 666.A N UNK 662.A O no hydrogen 2.896 N/A UNK 667.A N UNK 663.A O no hydrogen 2.889 N/A UNK 668.A N UNK 664.A O no hydrogen 2.891 N/A UNK 669.A N UNK 665.A O no hydrogen 2.898 N/A UNK 670.A N UNK 666.A O no hydrogen 2.903 N/A UNK 671.A N UNK 667.A O no hydrogen 2.883 N/A UNK 672.A N UNK 669.A O no hydrogen 3.160 N/A