Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ALA 287.A O no hydrogen 2.920 N/A VAL 5.A N ALA 285.A O no hydrogen 2.918 N/A PHE 6.A N TYR 555.A O no hydrogen 2.833 N/A LEU 7.A N VAL 283.A O no hydrogen 3.029 N/A ASN 8.A ND2 VAL 155.A O no hydrogen 2.914 N/A PHE 10.A N LEU 153.A O no hydrogen 2.824 N/A ALA 11.A N GLU 281.A O no hydrogen 2.655 N/A LEU 12.A N PHE 151.A O no hydrogen 3.017 N/A ARG 13.A N LEU 277.A O no hydrogen 3.036 N/A ARG 13.A NH1 PRO 14.A O no hydrogen 2.868 N/A ARG 13.A NH1 GLU 19.A OE2 no hydrogen 2.835 N/A ARG 13.A NH2 GLU 19.A OE1 no hydrogen 2.478 N/A ARG 13.A NH2 GLU 19.A OE2 no hydrogen 3.451 N/A LEU 15.A N GLY 149.A O no hydrogen 2.861 N/A ASN 16.A N GLU 19.A OE2 no hydrogen 2.782 N/A GLU 19.A N ASN 16.A O no hydrogen 2.984 N/A GLU 19.A N ASN 16.A OD1 no hydrogen 2.696 N/A LEU 20.A N ASN 16.A O no hydrogen 2.952 N/A ARG 21.A N GLU 18.A O no hydrogen 3.364 N/A TRP 23.A N SER 54.A O no hydrogen 2.871 N/A ARG 24.A N GLY 82.A O no hydrogen 2.856 N/A LEU 25.A N LEU 52.A O no hydrogen 2.848 N/A VAL 28.A N ARG 77.A O no hydrogen 2.705 N/A VAL 37.A N LEU 33.A O no hydrogen 3.045 N/A ALA 38.A N LEU 34.A O no hydrogen 2.899 N/A ARG 39.A N ALA 35.A O no hydrogen 2.918 N/A ARG 40.A N GLN 36.A O no hydrogen 2.914 N/A ALA 41.A N VAL 37.A O no hydrogen 2.893 N/A GLY 42.A N ARG 39.A O no hydrogen 3.022 N/A VAL 44.A N SER 56.A OG no hydrogen 3.119 N/A THR 45.A OG1 ALA 38.A O no hydrogen 2.902 N/A VAL 46.A N ALA 53.A O no hydrogen 2.878 N/A ARG 47.A NH1 GLY 49.A O no hydrogen 3.443 N/A MET 48.A N GLY 51.A O no hydrogen 2.680 N/A GLY 51.A N MET 48.A O no hydrogen 2.840 N/A LEU 52.A N LEU 25.A O no hydrogen 2.906 N/A ALA 53.A N VAL 46.A O no hydrogen 2.915 N/A SER 54.A N TRP 23.A O no hydrogen 2.924 N/A SER 54.A OG VAL 44.A O no hydrogen 3.122 N/A SER 54.A OG SER 56.A O no hydrogen 3.212 N/A TRP 55.A N VAL 44.A O no hydrogen 3.038 N/A TRP 55.A NE1 GLU 19.A O no hydrogen 2.718 N/A SER 56.A N SER 54.A OG no hydrogen 3.024 N/A GLU 59.A N GLU 59.A OE2 no hydrogen 2.602 N/A VAL 60.A N PRO 57.A O no hydrogen 3.171 N/A LEU 61.A N PRO 58.A O no hydrogen 3.243 N/A VAL 62.A N ALA 41.A O no hydrogen 3.242 N/A TYR 79.A N GLU 26.A O no hydrogen 2.702 N/A LYS 81.A N ARG 24.A O no hydrogen 2.792 N/A ARG 84.A N PRO 22.A O no hydrogen 2.981 N/A LEU 86.A N LEU 20.A O no hydrogen 3.344 N/A ASP 87.A N GLU 93.A OE1 no hydrogen 2.473 N/A LYS 89.A N ASP 87.A OD1 no hydrogen 3.518 N/A ASP 90.A N ASP 87.A O no hydrogen 2.608 N/A ARG 94.A N ASP 90.A O no hydrogen 2.784 N/A ARG 94.A NE PRO 88.A O no hydrogen 2.714 N/A SER 95.A N PRO 91.A O no hydrogen 2.880 N/A VAL 96.A N GLY 92.A O no hydrogen 2.953 N/A LEU 97.A N GLU 93.A O no hydrogen 2.919 N/A SER 98.A N ARG 94.A O no hydrogen 2.868 N/A SER 98.A OG ARG 94.A O no hydrogen 3.038 N/A ALA 99.A N SER 95.A O no hydrogen 2.936 N/A LEU 100.A N VAL 96.A O no hydrogen 2.952 N/A ALA 101.A N LEU 97.A O no hydrogen 2.898 N/A ARG 102.A N SER 98.A O no hydrogen 2.900 N/A ARG 103.A N ALA 99.A O no hydrogen 2.945 N/A ARG 103.A NH1 GLU 107.A OE2 no hydrogen 3.447 N/A LEU 104.A N LEU 100.A O no hydrogen 2.902 N/A LEU 105.A N ALA 101.A O no hydrogen 2.919 N/A GLN 106.A N ARG 102.A O no hydrogen 2.921 N/A GLU 107.A N ARG 103.A O no hydrogen 2.911 N/A ARG 108.A N LEU 104.A O no hydrogen 2.923 N/A LEU 109.A N LEU 105.A O no hydrogen 2.902 N/A ARG 110.A N GLN 106.A O no hydrogen 2.925 N/A ARG 111.A N GLU 107.A O no hydrogen 3.186 N/A LEU 112.A N LEU 109.A O no hydrogen 3.200 N/A TRP 116.A N TYR 123.A O no hydrogen 3.278 N/A GLU 118.A N ALA 121.A O no hydrogen 2.896 N/A ALA 121.A N GLU 118.A O no hydrogen 2.938 N/A VAL 122.A N ALA 139.A O no hydrogen 2.975 N/A TYR 123.A N TRP 116.A O no hydrogen 2.928 N/A ARG 124.A N GLY 137.A O no hydrogen 2.756 N/A ARG 125.A N GLY 137.A O no hydrogen 2.988 N/A HIS 127.A N VAL 135.A O no hydrogen 2.807 N/A ARG 129.A NH2 GLU 164.A OE1 no hydrogen 2.256 N/A GLY 130.A N TRP 133.A O no hydrogen 2.500 N/A TRP 133.A NE1 GLU 250.A OE1 no hydrogen 3.264 N/A ARG 134.A N LEU 162.A O no hydrogen 2.920 N/A VAL 135.A N ALA 128.A O no hydrogen 2.844 N/A LEU 136.A N ARG 160.A O no hydrogen 2.888 N/A GLY 137.A N ARG 125.A O no hydrogen 2.830 N/A GLY 138.A N ALA 158.A O no hydrogen 2.960 N/A ALA 139.A N VAL 122.A O no hydrogen 2.811 N/A VAL 140.A N ASP 156.A O no hydrogen 2.878 N/A LEU 141.A N LEU 120.A O no hydrogen 2.713 N/A ASP 142.A N GLU 154.A O no hydrogen 3.012 N/A LEU 143.A N ASP 142.A OD1 no hydrogen 2.814 N/A TRP 144.A N LEU 152.A O no hydrogen 2.918 N/A VAL 145.A N SER 98.A OG no hydrogen 2.965 N/A SER 146.A N ALA 150.A O no hydrogen 2.829 N/A SER 146.A OG SER 148.A OG no hydrogen 2.910 N/A SER 146.A OG ALA 150.A O no hydrogen 3.277 N/A SER 148.A OG SER 146.A OG no hydrogen 2.910 N/A GLY 149.A N SER 146.A O no hydrogen 3.180 N/A ALA 150.A N SER 146.A OG no hydrogen 2.953 N/A PHE 151.A N ARG 13.A O no hydrogen 3.180 N/A LEU 152.A N TRP 144.A O no hydrogen 2.890 N/A LEU 153.A N PHE 10.A O no hydrogen 2.927 N/A GLU 154.A N ASP 142.A O no hydrogen 2.814 N/A VAL 155.A N ASN 8.A O no hydrogen 3.207 N/A ASP 156.A N VAL 140.A O no hydrogen 2.971 N/A ALA 158.A N GLY 138.A O no hydrogen 2.917 N/A ARG 160.A N LEU 136.A O no hydrogen 2.842 N/A ARG 160.A NE GLU 118.A OE1 no hydrogen 2.586 N/A ARG 160.A NH2 GLU 118.A OE1 no hydrogen 3.197 N/A ARG 160.A NH2 GLU 118.A OE2 no hydrogen 2.939 N/A LEU 162.A N ARG 134.A O no hydrogen 2.892 N/A CYS 163.A SG GLY 132.A O no hydrogen 3.701 N/A CYS 163.A SG MET 165.A O no hydrogen 3.489 N/A GLU 164.A N GLY 132.A O no hydrogen 3.079 N/A LEU 167.A N LEU 238.A O no hydrogen 2.766 N/A GLU 168.A N THR 235.A O no hydrogen 3.371 N/A ALA 169.A N SER 166.A OG no hydrogen 3.301 N/A TRP 170.A N SER 166.A O no hydrogen 2.873 N/A LEU 171.A N LEU 167.A O no hydrogen 2.898 N/A ALA 172.A N ALA 169.A O no hydrogen 3.263 N/A GLN 173.A N TRP 170.A O no hydrogen 3.357 N/A GLY 174.A N LEU 171.A O no hydrogen 3.353 N/A HIS 175.A NE2 GLU 250.A OE2 no hydrogen 2.837 N/A VAL 181.A N TRP 190.A O no hydrogen 2.935 N/A ARG 182.A N VAL 239.A O no hydrogen 2.847 N/A ARG 182.A NE.B ARG 187.A O no hydrogen 3.197 N/A ASN 183.A N ARG 188.A O no hydrogen 3.188 N/A ASN 183.A ND2 ASP 186.A OD1 no hydrogen 2.971 N/A ALA 184.A N LEU 237.A O no hydrogen 2.885 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 3.086 N/A THR 189.A OG1 ARG 187.A O no hydrogen 3.441 N/A TRP 190.A N VAL 181.A O no hydrogen 2.802 N/A TRP 190.A NE1 ASN 183.A OD1 no hydrogen 3.089 N/A GLU 191.A N ALA 222.A O no hydrogen 2.880 N/A LEU 192.A N LYS 179.A O no hydrogen 3.048 N/A LEU 193.A N TRP 220.A O no hydrogen 2.865 N/A ARG 194.A N TRP 220.A O no hydrogen 3.230 N/A GLY 196.A N VAL 218.A O no hydrogen 2.994 N/A LEU 204.A N PRO 200.A O no hydrogen 3.356 N/A TYR 206.A N LEU 203.A O no hydrogen 3.224 N/A HIS 207.A N LEU 204.A O no hydrogen 3.032 N/A ALA 208.A N LEU 204.A O no hydrogen 2.890 N/A SER 209.A N ASP 205.A O no hydrogen 2.930 N/A LYS 210.A N HIS 207.A O no hydrogen 2.966 N/A ARG 213.A N GLN 211.A O no hydrogen 2.361 N/A ARG 217.A N GLU 168.A OE1 no hydrogen 3.485 N/A ALA 219.A N HIS 233.A O no hydrogen 2.889 N/A TRP 220.A N ARG 194.A O no hydrogen 2.593 N/A VAL 221.A N ILE 231.A O no hydrogen 2.893 N/A LYS 225.A N ASP 223.A OD1 no hydrogen 2.837 N/A ASP 226.A N ASP 223.A O no hydrogen 2.974 N/A ILE 231.A N VAL 221.A O no hydrogen 2.887 N/A HIS 233.A N ALA 219.A O no hydrogen 2.903 N/A HIS 233.A NE2 ASN 183.A OD1 no hydrogen 3.037 N/A LEU 234.A N HIS 233.A ND1 no hydrogen 2.763 N/A THR 235.A N ARG 217.A O no hydrogen 3.016 N/A THR 235.A OG1 GLU 168.A OE1 no hydrogen 2.477 N/A THR 235.A OG1 ARG 217.A O no hydrogen 3.418 N/A LEU 237.A N LEU 234.A O no hydrogen 3.015 N/A VAL 239.A N ARG 182.A O no hydrogen 2.860 N/A VAL 241.A N ARG 180.A O no hydrogen 3.090 N/A THR 243.A N ASP 246.A OD2 no hydrogen 3.038 N/A THR 243.A OG1 ASP 246.A OD2 no hydrogen 3.389 N/A GLU 245.A N THR 243.A OG1 no hydrogen 3.059 N/A LEU 247.A N THR 243.A O no hydrogen 3.249 N/A HIS 248.A N GLU 245.A O no hydrogen 3.477 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.782 N/A ARG 260.A N PRO 256.A O no hydrogen 3.016 N/A ARG 260.A NH1 ASP 156.A OD1 no hydrogen 3.032 N/A ARG 260.A NH1 PRO 157.A O no hydrogen 2.780 N/A ARG 261.A N TRP 257.A O no hydrogen 2.881 N/A ARG 261.A NH2 PRO 556.A O no hydrogen 2.704 N/A ARG 262.A N GLU 258.A O no hydrogen 2.907 N/A ARG 262.A NH1 GLU 259.A OE2 no hydrogen 3.073 N/A ARG 263.A N GLU 259.A O no hydrogen 2.943 N/A ARG 263.A NH1 GLU 259.A OE1 no hydrogen 2.867 N/A THR 264.A N ARG 260.A O no hydrogen 2.866 N/A THR 264.A OG1 ARG 260.A O no hydrogen 2.575 N/A ARG 265.A N ARG 261.A O no hydrogen 2.941 N/A GLU 266.A N ARG 262.A O no hydrogen 2.945 N/A ILE 267.A N ARG 263.A O no hydrogen 2.907 N/A ALA 268.A N THR 264.A O no hydrogen 2.925 N/A SER 269.A N ARG 265.A O no hydrogen 2.955 N/A SER 269.A OG ARG 265.A O no hydrogen 3.403 N/A TRP 270.A N GLU 266.A O no hydrogen 2.956 N/A ILE 271.A N ILE 267.A O no hydrogen 2.919 N/A GLY 272.A N ALA 268.A O no hydrogen 2.862 N/A ARG 273.A N SER 269.A O no hydrogen 2.908 N/A ARG 274.A N TRP 270.A O no hydrogen 2.996 N/A ARG 274.A NH1 TRP 270.A O no hydrogen 3.376 N/A LEU 275.A N GLY 272.A O no hydrogen 3.210 N/A GLY 276.A N GLY 272.A O no hydrogen 3.310 N/A GLU 281.A N ALA 11.A O no hydrogen 2.808 N/A VAL 283.A N ARG 9.A O no hydrogen 2.886 N/A ARG 284.A NH1 GLU 4.A OE2 no hydrogen 3.156 N/A ALA 285.A N VAL 5.A O no hydrogen 2.850 N/A ALA 287.A N THR 3.A O no hydrogen 2.884 N/A TYR 288.A N TYR 566.A O no hydrogen 2.820 N/A ARG 289.A N GLY 1.A O no hydrogen 2.963 N/A LEU 290.A N GLY 564.A O no hydrogen 3.047 N/A MET 296.A N ALA 438.A O no hydrogen 2.793 N/A GLY 297.A N ARG 299.A O no hydrogen 2.705 N/A ARG 298.A N GLY 311.A O no hydrogen 2.796 N/A VAL 301.A N LEU 295.A O no hydrogen 2.902 N/A SER 302.A N ASP 306.A OD2 no hydrogen 3.130 N/A SER 302.A OG ASP 306.A OD2 no hydrogen 2.876 N/A LYS 303.A N ASP 306.A OD2 no hydrogen 3.291 N/A LYS 303.A NZ ASP 306.A OD1 no hydrogen 2.675 N/A LYS 303.A NZ ASP 306.A OD2 no hydrogen 3.497 N/A ALA 305.A N GLY 619.A O no hydrogen 3.388 N/A ASP 306.A N LYS 303.A O no hydrogen 2.966 N/A ALA 307.A N PRO 304.A O no hydrogen 3.029 N/A LEU 308.A N ALA 305.A O no hydrogen 3.096 N/A ARG 309.A N ASP 306.A O no hydrogen 3.123 N/A ARG 309.A NH1 GLU 422.A OE2 no hydrogen 2.928 N/A ARG 309.A NH2 GLU 422.A OE2 no hydrogen 3.563 N/A VAL 310.A N ASP 306.A O no hydrogen 2.902 N/A GLY 311.A N ALA 307.A O no hydrogen 2.826 N/A PHE 312.A N SER 346.A OG no hydrogen 2.893 N/A TYR 313.A N VAL 436.A O no hydrogen 2.958 N/A ARG 314.A N GLN 435.A O no hydrogen 3.127 N/A THR 318.A N SER 349.A O no hydrogen 2.922 N/A THR 318.A OG1 GLN 316.A O no hydrogen 2.784 N/A ALA 319.A N GLN 378.A OE1 no hydrogen 3.152 N/A LEU 320.A N ARG 351.A O no hydrogen 2.929 N/A ALA 321.A N ALA 379.A O no hydrogen 2.958 N/A LEU 322.A N HIS 353.A O no hydrogen 2.917 N/A LEU 323.A N LEU 381.A O no hydrogen 2.855 N/A ARG 324.A NE GLY 330.A O no hydrogen 2.941 N/A ARG 324.A NH1 ASP 326.A OD2 no hydrogen 3.257 N/A ARG 324.A NH2 ASP 326.A OD2 no hydrogen 2.851 N/A LEU 325.A N LEU 383.A O no hydrogen 2.920 N/A ALA 328.A N ASP 326.A OD1 no hydrogen 2.930 N/A TRP 331.A NE1 HIS 353.A O no hydrogen 3.198 N/A ARG 336.A N PRO 332.A O no hydrogen 3.233 N/A ARG 337.A N GLU 333.A O no hydrogen 2.890 N/A ARG 337.A NH2 GLU 415.A OE2 no hydrogen 2.645 N/A ALA 338.A N PHE 334.A O no hydrogen 2.889 N/A LEU 339.A N LEU 335.A O no hydrogen 2.915 N/A LEU 340.A N ARG 336.A O no hydrogen 2.884 N/A ARG 341.A N ARG 337.A O no hydrogen 2.884 N/A ALA 342.A N ALA 338.A O no hydrogen 2.926 N/A PHE 343.A N LEU 339.A O no hydrogen 2.921 N/A GLY 344.A N LEU 340.A O no hydrogen 2.872 N/A ALA 345.A N ARG 341.A O no hydrogen 2.868 N/A SER 346.A N ALA 342.A O no hydrogen 3.224 N/A SER 346.A N PHE 343.A O no hydrogen 3.194 N/A SER 346.A OG ALA 342.A O no hydrogen 2.744 N/A GLY 347.A N GLY 344.A O no hydrogen 3.136 N/A ALA 348.A N PHE 343.A O no hydrogen 3.022 N/A ARG 351.A N THR 318.A O no hydrogen 2.828 N/A HIS 353.A N LEU 320.A O no hydrogen 2.835 N/A LEU 355.A N LEU 322.A O no hydrogen 2.856 N/A HIS 358.A N GLN 361.A OE1 no hydrogen 2.923 N/A SER 360.A N HIS 358.A ND1 no hydrogen 3.099 N/A GLN 361.A N HIS 358.A O no hydrogen 2.812 N/A GLY 362.A N PRO 359.A O no hydrogen 3.470 N/A ALA 364.A N GLN 361.A O no hydrogen 2.976 N/A PHE 365.A N GLY 362.A O no hydrogen 3.078 N/A ARG 366.A N GLY 362.A O no hydrogen 3.290 N/A ARG 366.A NE GLU 402.A OE2 no hydrogen 2.631 N/A ARG 366.A NH1 GLU 402.A OE2 no hydrogen 2.979 N/A GLU 367.A N LEU 363.A O no hydrogen 2.922 N/A ALA 368.A N ALA 364.A O no hydrogen 2.933 N/A LEU 369.A N PHE 365.A O no hydrogen 2.901 N/A ARG 370.A N ARG 366.A O no hydrogen 2.884 N/A LYS 371.A N GLU 367.A O no hydrogen 2.910 N/A ALA 372.A N ALA 368.A O no hydrogen 2.917 N/A LYS 373.A N LEU 369.A O no hydrogen 2.876 N/A LYS 373.A NZ GLY 403.A O no hydrogen 2.977 N/A LYS 373.A NZ GLU 649.A O no hydrogen 2.845 N/A GLU 374.A N ARG 370.A O no hydrogen 2.886 N/A GLU 375.A N LYS 371.A O no hydrogen 3.019 N/A GLY 376.A N LYS 373.A O no hydrogen 3.280 N/A VAL 377.A N ALA 372.A O no hydrogen 3.043 N/A GLN 378.A N ALA 319.A O no hydrogen 2.916 N/A VAL 380.A N PRO 405.A O no hydrogen 2.933 N/A LEU 381.A N ALA 321.A O no hydrogen 2.839 N/A VAL 382.A N GLN 407.A O no hydrogen 2.836 N/A LEU 383.A N LEU 323.A O no hydrogen 2.895 N/A THR 384.A N LEU 409.A O no hydrogen 3.023 N/A THR 384.A OG1 PRO 385.A O no hydrogen 2.689 N/A ARG 392.A N ALA 388.A O no hydrogen 2.832 N/A ARG 392.A NH1 ASN 393.A OD1 no hydrogen 2.857 N/A ARG 392.A NH1 GLU 638.A OE1 no hydrogen 3.516 N/A ARG 392.A NH1 GLU 638.A OE2 no hydrogen 3.111 N/A ARG 392.A NH2 GLU 638.A OE1 no hydrogen 2.948 N/A ARG 392.A NH2 GLU 638.A OE2 no hydrogen 3.360 N/A ASN 393.A N TRP 389.A O no hydrogen 2.919 N/A ARG 394.A N GLU 390.A O no hydrogen 2.926 N/A ARG 394.A NH1 ASP 391.A OD1 no hydrogen 2.898 N/A LEU 395.A N ASP 391.A O no hydrogen 2.884 N/A LYS 396.A N ARG 392.A O no hydrogen 2.928 N/A LYS 396.A NZ SER 406.A OG no hydrogen 3.068 N/A ALA 397.A N ASN 393.A O no hydrogen 2.927 N/A LEU 398.A N ARG 394.A O no hydrogen 2.905 N/A LEU 399.A N LEU 395.A O no hydrogen 2.925 N/A LEU 400.A N LYS 396.A O no hydrogen 2.918 N/A ARG 401.A N ALA 397.A O no hydrogen 2.915 N/A GLU 402.A N LEU 399.A O no hydrogen 3.165 N/A GLY 403.A N LEU 400.A O no hydrogen 2.654 N/A LEU 404.A N LEU 399.A O no hydrogen 2.895 N/A GLN 407.A N VAL 380.A O no hydrogen 2.859 N/A GLN 407.A NE2 ILE 408.A O no hydrogen 2.712 N/A LEU 409.A N VAL 382.A O no hydrogen 2.922 N/A VAL 411.A N THR 384.A O no hydrogen 2.870 N/A ARG 414.A N GLU 417.A OE2 no hydrogen 3.308 N/A GLU 417.A N ARG 414.A O no hydrogen 2.910 N/A ARG 420.A NE GLU 417.A OE1 no hydrogen 3.298 N/A ARG 420.A NH1 ASN 410.A O no hydrogen 2.871 N/A ARG 420.A NH2 PRO 412.A O no hydrogen 3.060 N/A ARG 420.A NH2 GLU 417.A OE1 no hydrogen 3.023 N/A ARG 420.A NH2 GLU 417.A OE2 no hydrogen 2.858 N/A TRP 421.A N GLU 417.A O no hydrogen 3.243 N/A TRP 421.A NE1 GLU 415.A O no hydrogen 2.765 N/A GLU 422.A N ARG 418.A O no hydrogen 2.885 N/A ASN 423.A N HIS 419.A O no hydrogen 2.951 N/A ALA 424.A N ARG 420.A O no hydrogen 2.920 N/A LEU 425.A N TRP 421.A O no hydrogen 2.895 N/A LEU 426.A N GLU 422.A O no hydrogen 2.940 N/A GLY 427.A N ASN 423.A O no hydrogen 2.926 N/A LEU 428.A N ALA 424.A O no hydrogen 2.885 N/A LEU 429.A N LEU 425.A O no hydrogen 2.891 N/A ALA 430.A N LEU 426.A O no hydrogen 2.953 N/A LYS 431.A N GLY 427.A O no hydrogen 2.909 N/A LYS 431.A NZ SER 406.A O no hydrogen 2.716 N/A LYS 431.A NZ GLN 407.A OE1 no hydrogen 3.070 N/A LYS 431.A NZ VAL 658.A O no hydrogen 3.189 N/A ALA 432.A N LEU 428.A O no hydrogen 2.882 N/A ALA 432.A N LEU 429.A O no hydrogen 3.012 N/A GLY 433.A N ALA 430.A O no hydrogen 2.928 N/A LEU 434.A N LEU 429.A O no hydrogen 2.992 N/A GLN 435.A N ARG 314.A O no hydrogen 3.259 N/A ALA 438.A N MET 296.A O no hydrogen 2.939 N/A SER 440.A N LYS 294.A O no hydrogen 3.171 N/A SER 440.A OG LYS 294.A O no hydrogen 3.359 N/A TYR 443.A OH HIS 610.A ND1 no hydrogen 2.418 N/A ALA 445.A N GLN 607.A OE1 no hydrogen 3.459 N/A GLU 446.A N ARG 513.A O no hydrogen 3.262 N/A ALA 448.A N VAL 468.A O no hydrogen 2.860 N/A VAL 449.A N LEU 515.A O no hydrogen 2.887 N/A GLY 450.A N CYS 466.A O no hydrogen 2.862 N/A PHE 451.A N LEU 517.A O no hydrogen 2.930 N/A ASP 452.A N ALA 464.A O no hydrogen 2.854 N/A GLY 454.A N ASP 452.A OD1 no hydrogen 2.795 N/A ARG 456.A N ALA 453.A O no hydrogen 3.076 N/A ARG 456.A NH1 GLY 462.A O no hydrogen 3.032 N/A ARG 456.A NH2 GLY 462.A O no hydrogen 3.560 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 2.489 N/A SER 458.A OG GLU 526.A OE1 no hydrogen 2.402 N/A PHE 459.A N GLU 526.A OE2 no hydrogen 2.704 N/A ARG 460.A N SER 458.A OG no hydrogen 3.160 N/A ARG 460.A NH1 GLU 485.A OE2 no hydrogen 3.110 N/A GLY 462.A N PHE 459.A O no hydrogen 2.843 N/A ALA 464.A N ASP 452.A O no hydrogen 2.858 N/A ALA 465.A N THR 477.A O no hydrogen 3.066 N/A CYS 466.A N GLY 450.A O no hydrogen 3.004 N/A ALA 467.A N LEU 475.A O no hydrogen 2.852 N/A VAL 468.A N ALA 448.A O no hydrogen 2.898 N/A GLY 469.A N HIS 473.A O no hydrogen 3.088 N/A GLY 470.A N GLU 446.A O no hydrogen 2.244 N/A LEU 475.A N ALA 467.A O no hydrogen 2.949 N/A TRP 476.A N ARG 652.A O no hydrogen 3.099 N/A THR 477.A N ALA 465.A O no hydrogen 2.852 N/A THR 477.A OG1 THR 499.A OG1 no hydrogen 3.136 N/A ARG 486.A N ARG 460.A O no hydrogen 3.119 N/A ARG 486.A NH1 ASP 494.A OD2 no hydrogen 3.211 N/A ARG 486.A NH2 ASP 494.A OD2 no hydrogen 3.175 N/A GLN 489.A NE2 ASP 525.A O no hydrogen 2.814 N/A GLU 490.A N ILE 487.A O no hydrogen 2.806 N/A VAL 491.A N ILE 487.A O no hydrogen 3.146 N/A VAL 492.A N PRO 488.A O no hydrogen 2.930 N/A TRP 493.A N GLN 489.A O no hydrogen 2.940 N/A ASP 494.A N GLU 490.A O no hydrogen 2.872 N/A LEU 495.A N VAL 491.A O no hydrogen 2.964 N/A LEU 496.A N VAL 492.A O no hydrogen 2.985 N/A GLU 497.A N TRP 493.A O no hydrogen 2.771 N/A GLU 498.A N ASP 494.A O no hydrogen 2.943 N/A THR 499.A N LEU 495.A O no hydrogen 3.028 N/A THR 499.A OG1 THR 477.A OG1 no hydrogen 3.136 N/A THR 499.A OG1 LEU 495.A O no hydrogen 2.921 N/A LEU 500.A N LEU 496.A O no hydrogen 2.819 N/A TRP 501.A N GLU 497.A O no hydrogen 2.874 N/A ALA 502.A N GLU 498.A O no hydrogen 2.982 N/A PHE 503.A N THR 499.A O no hydrogen 2.974 N/A ARG 504.A N LEU 500.A O no hydrogen 2.867 N/A ARG 505.A N TRP 501.A O no hydrogen 2.911 N/A LYS 506.A N ALA 502.A O no hydrogen 2.996 N/A ALA 507.A N PHE 503.A O no hydrogen 2.915 N/A GLY 508.A N ARG 504.A O no hydrogen 2.846 N/A ARG 509.A NH1 GLU 446.A OE2 no hydrogen 2.927 N/A ARG 509.A NH2 GLU 446.A OE1 no hydrogen 3.062 N/A SER 512.A N GLU 446.A OE2 no hydrogen 2.799 N/A SER 512.A OG GLU 446.A OE2 no hydrogen 3.217 N/A VAL 514.A N ALA 540.A O no hydrogen 2.839 N/A LEU 515.A N LEU 447.A O no hydrogen 2.848 N/A LEU 516.A N ASP 542.A O no hydrogen 2.836 N/A LEU 517.A N VAL 449.A O no hydrogen 2.898 N/A ARG 518.A N VAL 544.A O no hydrogen 3.012 N/A ARG 518.A NH1 GLU 595.A OE2 no hydrogen 2.753 N/A ARG 521.A N ASP 519.A OD2 no hydrogen 2.851 N/A ARG 521.A NH1 ARG 521.A O no hydrogen 2.791 N/A VAL 522.A N ASP 519.A OD2 no hydrogen 3.287 N/A GLN 524.A NE2 GLU 595.A O no hydrogen 3.343 N/A GLU 526.A N PRO 523.A O no hydrogen 2.961 N/A PHE 527.A N GLN 524.A O no hydrogen 3.068 N/A ALA 528.A N ASP 525.A O no hydrogen 2.969 N/A LEU 531.A N PHE 527.A O no hydrogen 3.055 N/A GLU 532.A N ALA 528.A O no hydrogen 2.933 N/A ALA 533.A N LEU 529.A O no hydrogen 2.902 N/A LEU 534.A N ALA 530.A O no hydrogen 2.919 N/A ALA 535.A N LEU 531.A O no hydrogen 2.937 N/A ARG 536.A N GLU 532.A O no hydrogen 2.888 N/A GLU 537.A N ALA 533.A O no hydrogen 3.290 N/A GLY 538.A N ALA 535.A O no hydrogen 2.708 N/A ILE 539.A N LEU 534.A O no hydrogen 2.957 N/A ALA 540.A N SER 512.A O no hydrogen 3.143 N/A ASP 542.A N VAL 514.A O no hydrogen 3.237 N/A LEU 543.A N ALA 596.A O no hydrogen 2.907 N/A VAL 544.A N LEU 516.A O no hydrogen 2.828 N/A SER 545.A N VAL 593.A O no hydrogen 2.926 N/A SER 545.A OG ASP 519.A O no hydrogen 2.778 N/A VAL 546.A N ARG 518.A O no hydrogen 2.719 N/A ARG 547.A N LYS 591.A O no hydrogen 2.851 N/A ARG 547.A NE SER 545.A OG no hydrogen 3.047 N/A LYS 548.A NZ ASP 633.A OD2 no hydrogen 2.989 N/A ARG 553.A N ASN 8.A OD1 no hydrogen 2.893 N/A ARG 553.A NE ASP 156.A OD1 no hydrogen 3.240 N/A ARG 553.A NE ASP 156.A OD2 no hydrogen 2.858 N/A ARG 553.A NH1 PRO 587.A O no hydrogen 3.208 N/A ARG 553.A NH2 ASP 156.A OD2 no hydrogen 3.180 N/A TYR 555.A N PHE 6.A O no hydrogen 2.913 N/A VAL 557.A N GLU 4.A O no hydrogen 3.196 N/A LEU 565.A N LEU 577.A O no hydrogen 2.990 N/A TYR 566.A N TYR 288.A O no hydrogen 2.876 N/A VAL 567.A N LEU 575.A O no hydrogen 2.871 N/A LEU 569.A N THR 573.A O no hydrogen 2.918 N/A GLU 570.A N GLU 570.A OE2 no hydrogen 2.776 N/A THR 573.A N GLU 570.A O no hydrogen 2.955 N/A THR 573.A OG1 GLU 570.A O no hydrogen 2.676 N/A PHE 574.A N LEU 592.A O no hydrogen 2.965 N/A LEU 575.A N VAL 567.A O no hydrogen 2.863 N/A LEU 576.A N LEU 590.A O no hydrogen 2.893 N/A LEU 577.A N LEU 565.A O no hydrogen 2.821 N/A THR 578.A OG1 ARG 624.A O no hydrogen 2.735 N/A HIS 580.A N ASP 563.A OD2 no hydrogen 3.323 N/A HIS 580.A NE2 ASP 582.A OD1 no hydrogen 3.030 N/A ARG 581.A NH1 HIS 580.A O no hydrogen 3.043 N/A ARG 584.A N ARG 581.A O no hydrogen 2.814 N/A LEU 590.A N LEU 576.A O no hydrogen 2.801 N/A LYS 591.A N ARG 547.A O no hydrogen 3.016 N/A LEU 592.A N PHE 574.A O no hydrogen 2.859 N/A VAL 593.A N SER 545.A O no hydrogen 2.952 N/A HIS 594.A N LYS 572.A O no hydrogen 2.842 N/A HIS 594.A NE2 ASP 542.A OD1 no hydrogen 2.824 N/A GLU 595.A N LEU 543.A O no hydrogen 2.885 N/A ALA 596.A N LEU 543.A O no hydrogen 3.448 N/A THR 599.A N ASP 542.A OD1 no hydrogen 3.201 N/A THR 599.A OG1 ASP 542.A OD2 no hydrogen 2.517 N/A GLU 602.A N GLU 602.A OE1 no hydrogen 2.797 N/A LEU 604.A N PRO 600.A O no hydrogen 3.190 N/A ALA 605.A N LEU 601.A O no hydrogen 2.846 N/A HIS 606.A N GLU 602.A O no hydrogen 2.902 N/A HIS 606.A NE2 SER 291.A OG no hydrogen 3.114 N/A GLN 607.A N ALA 603.A O no hydrogen 2.944 N/A GLN 607.A NE2 ALA 445.A O no hydrogen 3.157 N/A ILE 608.A N LEU 604.A O no hydrogen 2.912 N/A PHE 609.A N ALA 605.A O no hydrogen 2.929 N/A HIS 610.A N HIS 606.A O no hydrogen 2.929 N/A HIS 610.A ND1 TYR 443.A OH no hydrogen 2.418 N/A HIS 610.A NE2 SER 291.A O no hydrogen 2.937 N/A LEU 611.A N GLN 607.A O no hydrogen 2.871 N/A THR 612.A N ILE 608.A O no hydrogen 3.076 N/A THR 612.A N PHE 609.A O no hydrogen 3.125 N/A THR 612.A OG1 PRO 623.A O no hydrogen 3.083 N/A ARG 613.A N HIS 610.A O no hydrogen 2.948 N/A ARG 613.A NH2 THR 578.A O no hydrogen 2.551 N/A LEU 614.A N LEU 611.A O no hydrogen 3.347 N/A SER 618.A OG ALA 621.A O no hydrogen 2.637 N/A GLY 619.A N ASN 423.A OD1 no hydrogen 2.756 N/A ARG 624.A NE ARG 588.A O no hydrogen 2.715 N/A ARG 624.A NH2 LYS 548.A O no hydrogen 2.307 N/A ARG 624.A NH2 ARG 588.A O no hydrogen 3.165 N/A ALA 627.A N LEU 611.A O no hydrogen 2.943 N/A LEU 629.A N PRO 626.A O no hydrogen 3.078 N/A HIS 630.A N PRO 626.A O no hydrogen 3.183 N/A LEU 631.A N ALA 627.A O no hydrogen 2.860 N/A ALA 632.A N PRO 628.A O no hydrogen 2.923 N/A ASP 633.A N LEU 629.A O no hydrogen 2.913 N/A ARG 634.A N HIS 630.A O no hydrogen 3.000 N/A LEU 635.A N LEU 631.A O no hydrogen 2.850 N/A VAL 636.A N ALA 632.A O no hydrogen 2.913 N/A LYS 637.A N ASP 633.A O no hydrogen 3.015 N/A GLU 638.A N ARG 634.A O no hydrogen 2.947 N/A VAL 639.A N LEU 635.A O no hydrogen 2.893 N/A GLY 640.A N VAL 636.A O no hydrogen 2.972 N/A ARG 641.A N LYS 637.A O no hydrogen 2.925 N/A LEU 642.A N GLU 638.A O no hydrogen 2.922 N/A GLY 643.A N VAL 639.A O no hydrogen 3.057 N/A ARG 652.A NE TRP 476.A O no hydrogen 2.370 N/A ARG 652.A NH2 THR 477.A OG1 no hydrogen 2.689 N/A LYS 654.A N ASP 651.A O no hydrogen 3.109 N/A LYS 654.A NZ ASP 651.A OD2 no hydrogen 3.448 N/A LEU 655.A N ALA 430.A O no hydrogen 3.365 N/A PHE 656.A N LYS 654.A O no hydrogen 2.810 N/A VAL 658.A N LEU 655.A O no hydrogen 3.336 N/A