Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1oac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 66.A O no hydrogen 2.704 N/A MET 6.A N ALA 64.A O no hydrogen 3.181 N/A THR 9.A N PRO 5.A O no hydrogen 3.179 N/A THR 9.A OG1 PRO 5.A O no hydrogen 2.461 N/A LEU 10.A N MET 6.A O no hydrogen 2.756 N/A LYS 11.A N ASP 7.A O no hydrogen 2.848 N/A GLU 12.A N LYS 8.A O no hydrogen 2.892 N/A PHE 13.A N THR 9.A O no hydrogen 3.205 N/A PHE 13.A N LEU 10.A O no hydrogen 3.059 N/A GLY 14.A N LYS 11.A O no hydrogen 3.169 N/A ALA 15.A N LEU 10.A O no hydrogen 3.169 N/A ASP 16.A N ILE 29.A O no hydrogen 2.766 N/A GLN 18.A N THR 27.A O no hydrogen 2.876 N/A GLN 18.A NE2 ASP 16.A OD2 no hydrogen 3.095 N/A TRP 19.A NE1 ASP 21.A OD1 no hydrogen 3.233 N/A ASP 20.A N LEU 25.A O no hydrogen 2.825 N/A ALA 23.A N ASP 20.A OD1 no hydrogen 2.925 N/A GLN 24.A NE2 ASP 21.A O no hydrogen 2.765 N/A LEU 25.A N ASP 20.A O no hydrogen 3.058 N/A PHE 26.A N VAL 37.A O no hydrogen 2.947 N/A THR 27.A N GLN 18.A O no hydrogen 2.822 N/A LEU 28.A N VAL 35.A O no hydrogen 2.678 N/A ILE 29.A N ASP 16.A O no hydrogen 2.795 N/A LYS 30.A N ALA 33.A O no hydrogen 2.910 N/A ALA 33.A N LYS 30.A O no hydrogen 2.896 N/A VAL 35.A N LEU 28.A O no hydrogen 2.768 N/A LYS 36.A N ILE 45.A O no hydrogen 3.015 N/A VAL 37.A N PHE 26.A O no hydrogen 2.990 N/A GLY 40.A N VAL 57.A O no hydrogen 2.787 N/A ALA 41.A N LYS 38.A O no hydrogen 3.075 N/A ALA 44.A N LEU 51.A O no hydrogen 2.852 N/A ILE 45.A N LYS 36.A O no hydrogen 2.928 N/A VAL 46.A N GLN 49.A O no hydrogen 2.668 N/A ASN 47.A N TYR 34.A O no hydrogen 2.994 N/A ASN 47.A ND2 GLY 32.A O no hydrogen 3.398 N/A ASN 47.A ND2 TYR 34.A O no hydrogen 3.338 N/A GLN 49.A N VAL 46.A O no hydrogen 2.930 N/A LEU 51.A N ALA 44.A O no hydrogen 2.793 N/A LEU 53.A N GLN 42.A O no hydrogen 2.928 N/A GLN 54.A NE2 ASP 73.A OD1 no hydrogen 3.567 N/A GLN 54.A NE2 ASP 73.A OD2 no hydrogen 3.285 N/A VAL 58.A N TRP 65.A O no hydrogen 2.880 N/A LYS 60.A N LYS 63.A O no hydrogen 2.450 N/A TRP 65.A N VAL 58.A O no hydrogen 2.545 N/A VAL 66.A N VAL 4.A O no hydrogen 2.649 N/A THR 69.A OG1 ASP 73.A OD1 no hydrogen 3.139 N/A PHE 70.A N SER 67.A O no hydrogen 3.504 N/A ASP 73.A N THR 69.A O no hydrogen 3.003 N/A VAL 74.A N PHE 70.A O no hydrogen 2.836 N/A PHE 75.A N ILE 71.A O no hydrogen 2.647 N/A GLN 76.A N ASN 72.A O no hydrogen 3.006 N/A SER 77.A N VAL 74.A O no hydrogen 3.441 N/A SER 77.A OG VAL 74.A O no hydrogen 2.784 N/A LEU 79.A N SER 77.A OG no hydrogen 3.229 N/A GLN 81.A NE2 GLY 78.A O no hydrogen 3.587 N/A THR 82.A N ASP 80.A OD1 no hydrogen 3.176 N/A THR 82.A OG1 ASP 80.A OD1 no hydrogen 2.552 N/A GLN 84.A N ILE 314.A O no hydrogen 2.897 N/A GLN 84.A NE2 GLN 81.A O no hydrogen 2.888 N/A ARG 88.A NH1 ASN 139.A OD1 no hydrogen 2.736 N/A ARG 88.A NH2 ASN 139.A OD1 no hydrogen 3.237 N/A HIS 90.A N GLU 86.A OE2 no hydrogen 3.144 N/A HIS 90.A NE2 THR 340.A OG1 no hydrogen 3.013 N/A LEU 92.A N HIS 90.A ND1 no hydrogen 2.839 N/A ASN 93.A N HIS 90.A O no hydrogen 2.974 N/A ASN 93.A ND2 HIS 327.A NE2 no hydrogen 2.719 N/A THR 96.A N GLU 99.A OE1 no hydrogen 3.065 N/A GLU 99.A N THR 96.A OG1 no hydrogen 3.096 N/A ILE 100.A N THR 96.A O no hydrogen 2.829 N/A LYS 101.A N ALA 97.A O no hydrogen 3.003 N/A GLN 102.A N ASP 98.A O no hydrogen 2.965 N/A GLN 102.A NE2 LEU 165.A O no hydrogen 2.409 N/A GLN 102.A NE2 ASN 168.A OD1 no hydrogen 2.885 N/A ALA 103.A N GLU 99.A O no hydrogen 3.032 N/A VAL 104.A N ILE 100.A O no hydrogen 3.093 N/A GLU 105.A N LYS 101.A O no hydrogen 2.981 N/A ILE 106.A N GLN 102.A O no hydrogen 2.927 N/A VAL 107.A N ALA 103.A O no hydrogen 3.212 N/A LYS 108.A N VAL 104.A O no hydrogen 2.938 N/A ALA 109.A N GLU 105.A O no hydrogen 3.173 N/A SER 110.A N VAL 107.A O no hydrogen 3.265 N/A ASP 112.A N SER 110.A OG no hydrogen 2.905 N/A PHE 113.A N SER 110.A O no hydrogen 3.291 N/A LYS 114.A NZ ALA 111.A O no hydrogen 3.568 N/A THR 117.A N LYS 114.A O no hydrogen 3.309 N/A THR 117.A OG1 LYS 114.A O no hydrogen 2.797 N/A ARG 118.A N LEU 153.A O no hydrogen 3.079 N/A ARG 118.A NH1 ASP 186.A OD1 no hydrogen 2.667 N/A ARG 118.A NH1 ASP 187.A OD1 no hydrogen 3.010 N/A PHE 119.A N TYR 412.A O no hydrogen 2.837 N/A THR 120.A N ILE 151.A O no hydrogen 2.721 N/A THR 120.A OG1 ILE 151.A O no hydrogen 3.246 N/A GLU 121.A N ILE 151.A O no hydrogen 3.342 N/A SER 123.A N ASP 149.A O no hydrogen 2.953 N/A SER 123.A OG GLU 121.A OE2 no hydrogen 2.783 N/A LEU 125.A N LYS 147.A O no hydrogen 2.932 N/A LYS 129.A NZ ASP 528.A OD1 no hydrogen 3.123 N/A LYS 129.A NZ ASP 528.A OD2 no hydrogen 2.682 N/A LYS 129.A NZ ASP 530.A OD1 no hydrogen 3.049 N/A LYS 129.A NZ ASP 673.A OD1 no hydrogen 3.077 N/A LYS 129.A NZ ASP 673.A OD2 no hydrogen 2.659 N/A VAL 132.A N ASP 128.A O no hydrogen 2.973 N/A TRP 133.A N LYS 129.A O no hydrogen 2.711 N/A TRP 133.A NE1 ASP 530.A OD2 no hydrogen 2.695 N/A ALA 134.A N GLU 130.A O no hydrogen 3.087 N/A PHE 135.A N ALA 131.A O no hydrogen 3.151 N/A PHE 135.A N VAL 132.A O no hydrogen 3.264 N/A ALA 136.A N VAL 132.A O no hydrogen 3.231 N/A LEU 137.A N TRP 133.A O no hydrogen 2.805 N/A GLU 138.A N ALA 134.A O no hydrogen 2.717 N/A ASN 139.A N PHE 135.A O no hydrogen 2.759 N/A LYS 140.A N ALA 134.A O no hydrogen 3.298 N/A LYS 140.A NZ GLU 138.A OE1 no hydrogen 3.457 N/A ARG 146.A NE GLU 99.A OE2 no hydrogen 2.742 N/A ARG 146.A NH1 ASN 93.A O no hydrogen 2.753 N/A ARG 146.A NH2 ASN 93.A O no hydrogen 2.893 N/A ARG 146.A NH2 ALA 94.A O no hydrogen 3.195 N/A ARG 146.A NH2 GLU 99.A OE1 no hydrogen 2.832 N/A ALA 148.A N VAL 163.A O no hydrogen 3.101 N/A ASP 149.A N SER 123.A O no hydrogen 2.748 N/A VAL 150.A N ALA 161.A O no hydrogen 2.912 N/A ILE 151.A N GLU 121.A O no hydrogen 2.843 N/A MET 152.A N ILE 159.A O no hydrogen 2.855 N/A LEU 153.A N ARG 118.A O no hydrogen 2.899 N/A ASP 154.A N HIS 157.A O no hydrogen 2.581 N/A LYS 156.A NZ ASP 235.A OD1 no hydrogen 3.408 N/A LYS 156.A NZ ASP 235.A OD2 no hydrogen 2.704 N/A HIS 157.A N ASP 154.A O no hydrogen 2.795 N/A HIS 157.A ND1 ASP 154.A O no hydrogen 2.592 N/A ILE 159.A N MET 152.A O no hydrogen 2.839 N/A GLU 160.A N GLN 174.A O no hydrogen 2.726 N/A ALA 161.A N VAL 150.A O no hydrogen 2.791 N/A VAL 162.A N SER 172.A O no hydrogen 3.030 N/A VAL 163.A N ALA 148.A O no hydrogen 3.054 N/A ASP 164.A N LYS 169.A O no hydrogen 2.712 N/A LEU 165.A N ARG 146.A O no hydrogen 2.969 N/A ASN 167.A N ASP 164.A OD1 no hydrogen 2.756 N/A ASN 167.A ND2 ASP 164.A OD2 no hydrogen 3.045 N/A LYS 169.A N ASP 164.A O no hydrogen 3.048 N/A LEU 171.A N VAL 162.A O no hydrogen 2.815 N/A SER 172.A N VAL 162.A O no hydrogen 3.241 N/A GLN 174.A N GLU 160.A O no hydrogen 2.803 N/A GLN 174.A NE2 PRO 175.A O no hydrogen 3.451 N/A ILE 176.A N ILE 158.A O no hydrogen 2.900 N/A LYS 177.A NZ ASP 178.A OD2 no hydrogen 2.731 N/A HIS 180.A NE2 GLN 234.A O no hydrogen 2.959 N/A VAL 183.A N ASP 382.A O no hydrogen 2.728 N/A LEU 184.A N ASP 187.A OD2 no hydrogen 3.010 N/A ASP 187.A N LEU 184.A O no hydrogen 2.940 N/A PHE 188.A N LEU 185.A O no hydrogen 3.114 N/A SER 190.A N ASP 186.A O no hydrogen 3.006 N/A SER 190.A OG ASP 186.A O no hydrogen 3.287 N/A VAL 191.A N ASP 187.A O no hydrogen 3.243 N/A GLN 192.A N PHE 188.A O no hydrogen 3.304 N/A ASN 193.A N ALA 189.A O no hydrogen 2.987 N/A ILE 194.A N SER 190.A O no hydrogen 2.614 N/A ILE 195.A N VAL 191.A O no hydrogen 3.066 N/A ASN 196.A N GLN 192.A O no hydrogen 3.045 N/A ASN 197.A N ASN 193.A O no hydrogen 3.097 N/A SER 198.A N ILE 195.A O no hydrogen 3.314 N/A SER 198.A OG GLU 200.A OE2 no hydrogen 2.882 N/A PHE 201.A N SER 198.A OG no hydrogen 3.150 N/A ALA 202.A N SER 198.A O no hydrogen 3.073 N/A ALA 203.A N GLU 199.A O no hydrogen 3.111 N/A ALA 204.A N GLU 200.A O no hydrogen 3.060 N/A VAL 205.A N PHE 201.A O no hydrogen 2.901 N/A LYS 206.A N ALA 202.A O no hydrogen 3.016 N/A LYS 206.A NZ LYS 206.A O no hydrogen 2.818 N/A LYS 206.A NZ ILE 210.A O no hydrogen 3.371 N/A LYS 207.A N ALA 203.A O no hydrogen 3.227 N/A ARG 208.A N VAL 205.A O no hydrogen 3.077 N/A ARG 208.A NE GLU 276.A OE1 no hydrogen 3.462 N/A ARG 208.A NH1 GLY 277.A O no hydrogen 3.351 N/A ARG 208.A NH1 PRO 278.A O no hydrogen 3.029 N/A ARG 208.A NH2 GLU 276.A OE1 no hydrogen 2.953 N/A ARG 208.A NH2 GLY 277.A O no hydrogen 2.569 N/A GLY 209.A N LYS 206.A O no hydrogen 3.255 N/A ILE 210.A N VAL 205.A O no hydrogen 3.250 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 2.803 N/A LYS 214.A NZ ASP 212.A OD1 no hydrogen 2.619 N/A LYS 215.A N ASP 212.A O no hydrogen 3.300 N/A ILE 217.A N TYR 244.A O no hydrogen 2.802 N/A THR 219.A N ILE 242.A O no hydrogen 3.141 N/A LEU 221.A N LYS 240.A O no hydrogen 2.961 N/A THR 222.A OG1 ASP 382.A OD2 no hydrogen 3.034 N/A TYR 225.A OH ASP 227.A OD1 no hydrogen 3.339 N/A LYS 229.A N PHE 226.A O no hydrogen 2.919 N/A GLY 231.A N GLY 228.A O no hydrogen 3.104 N/A LEU 232.A N ASP 230.A OD1 no hydrogen 3.413 N/A GLN 234.A NE2 ARG 652.A O no hydrogen 2.773 N/A ARG 237.A NH1 GLY 181.A O no hydrogen 2.779 N/A ARG 237.A NH2 MET 182.A O no hydrogen 2.880 N/A ARG 237.A NH2 ASP 187.A OD2 no hydrogen 2.765 N/A LEU 239.A N VAL 264.A O no hydrogen 3.089 N/A LYS 240.A N LEU 221.A O no hydrogen 2.878 N/A VAL 241.A N ALA 262.A O no hydrogen 2.827 N/A ILE 242.A N THR 219.A O no hydrogen 3.307 N/A TYR 244.A N ILE 217.A O no hydrogen 2.866 N/A LEU 245.A N HIS 255.A O no hydrogen 2.739 N/A ASP 246.A N LYS 215.A O no hydrogen 2.806 N/A GLY 248.A N ASP 246.A OD1 no hydrogen 2.929 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 2.706 N/A ASN 251.A ND2 ARG 287.A O no hydrogen 2.651 N/A ALA 254.A N ASN 251.A O no hydrogen 3.153 N/A HIS 255.A N TYR 252.A O no hydrogen 3.039 N/A HIS 255.A ND1 PRO 283.A O no hydrogen 2.648 N/A HIS 255.A NE2 ASP 249.A OD2 no hydrogen 2.635 N/A ILE 257.A N SER 243.A O no hydrogen 3.019 N/A VAL 261.A N GLU 275.A O no hydrogen 2.795 N/A ALA 262.A N VAL 241.A O no hydrogen 3.237 N/A VAL 263.A N LYS 273.A O no hydrogen 2.782 N/A VAL 264.A N LEU 239.A O no hydrogen 2.902 N/A ASP 265.A N LYS 270.A O no hydrogen 2.836 N/A LEU 266.A N ARG 237.A O no hydrogen 3.009 N/A GLU 267.A N ASP 265.A OD1 no hydrogen 2.652 N/A GLN 268.A N ASP 265.A OD1 no hydrogen 2.875 N/A LYS 270.A N ASP 265.A O no hydrogen 2.889 N/A VAL 272.A N VAL 263.A O no hydrogen 2.638 N/A GLU 275.A N VAL 261.A O no hydrogen 2.551 N/A GLY 277.A N ASN 259.A O no hydrogen 2.737 N/A ARG 287.A N ASP 249.A OD2 no hydrogen 2.902 N/A ARG 287.A NE ASP 511.A OD2 no hydrogen 2.700 N/A ARG 287.A NH2 ASP 511.A OD1 no hydrogen 2.942 N/A ARG 287.A NH2 ASP 511.A OD2 no hydrogen 3.404 N/A ARG 292.A N ASP 290.A OD1 no hydrogen 3.231 N/A ARG 292.A NE ASP 290.A OD1 no hydrogen 2.796 N/A ARG 292.A NE ASP 290.A OD2 no hydrogen 3.239 N/A ARG 292.A NH2 ASP 290.A OD2 no hydrogen 2.730 N/A ARG 294.A N GLY 291.A O no hydrogen 2.915 N/A ILE 304.A N SER 400.A OG no hydrogen 3.368 N/A GLY 309.A N GLU 306.A O no hydrogen 3.225 N/A LYS 310.A NZ GLU 306.A OE2 no hydrogen 2.976 N/A LYS 310.A NZ ASN 401.A O no hydrogen 2.902 N/A THR 313.A N HIS 320.A O no hydrogen 2.914 N/A ILE 314.A N THR 82.A O no hydrogen 2.821 N/A THR 315.A N MET 318.A O no hydrogen 2.869 N/A MET 318.A N THR 315.A O no hydrogen 3.086 N/A ILE 319.A N PHE 326.A O no hydrogen 2.934 N/A HIS 320.A N THR 313.A O no hydrogen 2.803 N/A TRP 321.A N TRP 324.A O no hydrogen 3.004 N/A TRP 321.A NE1 GLU 427.A OE1 no hydrogen 3.064 N/A TRP 324.A N TRP 321.A O no hydrogen 2.865 N/A TRP 324.A NE1 HIS 470.A O no hydrogen 2.791 N/A ASP 325.A N THR 342.A O no hydrogen 3.296 N/A PHE 326.A N ILE 319.A O no hydrogen 3.050 N/A HIS 327.A N SER 339.A O no hydrogen 2.777 N/A LEU 328.A N ASP 317.A O no hydrogen 2.926 N/A SER 329.A N MET 337.A O no hydrogen 3.049 N/A ASN 331.A N GLY 335.A O no hydrogen 2.835 N/A ASN 331.A ND2 GLU 121.A OE2 no hydrogen 3.383 N/A ARG 333.A N ASN 331.A OD1 no hydrogen 2.739 N/A ARG 333.A NH1 LYS 648.A O no hydrogen 2.889 N/A ARG 333.A NH2 GLU 646.A OE2 no hydrogen 3.219 N/A ARG 333.A NH2 GLY 647.A O no hydrogen 2.913 N/A ARG 333.A NH2 LYS 648.A O no hydrogen 3.553 N/A VAL 334.A N ASN 331.A OD1 no hydrogen 3.079 N/A GLY 335.A N ASN 331.A O no hydrogen 2.804 N/A MET 337.A N SER 329.A O no hydrogen 2.893 N/A ILE 338.A N GLY 356.A O no hydrogen 2.857 N/A SER 339.A N HIS 327.A O no hydrogen 2.775 N/A THR 340.A N TYR 354.A O no hydrogen 2.829 N/A THR 340.A OG1 HIS 90.A NE2 no hydrogen 3.013 N/A VAL 341.A N MET 353.A O no hydrogen 2.837 N/A THR 342.A N ASP 325.A O no hydrogen 3.085 N/A TYR 343.A N ARG 350.A O no hydrogen 2.911 N/A TYR 343.A OH GLU 471.A O no hydrogen 2.917 N/A ASN 344.A N ASN 323.A O no hydrogen 2.786 N/A ASP 345.A N THR 348.A O no hydrogen 2.630 N/A THR 348.A N ASP 345.A O no hydrogen 2.973 N/A ARG 350.A N TYR 343.A O no hydrogen 2.683 N/A ARG 350.A NE ASP 532.A OD1 no hydrogen 3.549 N/A ARG 350.A NE ASP 532.A OD2 no hydrogen 3.060 N/A ARG 350.A NH1 ASP 345.A OD2 no hydrogen 2.923 N/A ARG 350.A NH1 PHE 708.A O no hydrogen 3.010 N/A ARG 350.A NH2 ASP 532.A OD2 no hydrogen 2.567 N/A ARG 350.A NH2 PHE 708.A O no hydrogen 3.202 N/A LYS 351.A NZ GLU 534.A OE1 no hydrogen 2.481 N/A LYS 351.A NZ GLU 534.A OE2 no hydrogen 3.426 N/A VAL 352.A N VAL 341.A O no hydrogen 2.985 N/A MET 353.A N VAL 341.A O no hydrogen 3.154 N/A TYR 354.A N ASP 528.A O no hydrogen 2.868 N/A GLY 356.A N ILE 338.A O no hydrogen 2.862 N/A SER 357.A N ARG 526.A O no hydrogen 3.118 N/A SER 357.A OG LEU 358.A O no hydrogen 2.988 N/A GLY 359.A N ASN 524.A O no hydrogen 2.708 N/A GLY 360.A N ASN 524.A O no hydrogen 3.222 N/A ILE 362.A N ILE 522.A O no hydrogen 2.916 N/A VAL 363.A N TYR 377.A O no hydrogen 2.864 N/A TYR 365.A N LYS 375.A O no hydrogen 3.210 N/A GLY 366.A N THR 518.A O no hydrogen 2.989 N/A ASP 369.A N ASP 367.A OD1 no hydrogen 2.866 N/A TRP 372.A N ASP 369.A O no hydrogen 3.026 N/A TRP 372.A NE1 GLU 258.A OE2 no hydrogen 2.784 N/A TYR 373.A N ASP 369.A O no hydrogen 2.887 N/A LYS 375.A N TRP 372.A O no hydrogen 2.859 N/A TYR 377.A N VAL 363.A O no hydrogen 2.970 N/A ASP 382.A N LEU 378.A O no hydrogen 2.707 N/A TYR 383.A N ASP 379.A O no hydrogen 3.154 N/A TYR 383.A OH PRO 220.A O no hydrogen 2.833 N/A GLY 384.A N SER 380.A O no hydrogen 2.862 N/A MET 385.A N ARG 333.A O no hydrogen 2.995 N/A THR 387.A N SER 332.A O no hydrogen 3.031 N/A THR 387.A OG1 SER 332.A O no hydrogen 3.559 N/A LEU 388.A N GLY 384.A O no hydrogen 3.187 N/A THR 389.A N GLY 386.A O no hydrogen 3.087 N/A THR 389.A OG1 GLY 386.A O no hydrogen 2.594 N/A SER 390.A N ILE 456.A O no hydrogen 2.714 N/A SER 390.A OG THR 458.A OG1 no hydrogen 2.663 N/A ILE 392.A N ARG 421.A O no hydrogen 2.814 N/A ALA 393.A N ASP 397.A OD2 no hydrogen 2.940 N/A ARG 394.A NH1 ASP 31.A OD1 no hydrogen 2.918 N/A ARG 394.A NH2 ASP 31.A OD1 no hydrogen 3.523 N/A LYS 396.A N ALA 393.A O no hydrogen 3.114 N/A ASP 397.A N ALA 393.A O no hydrogen 3.037 N/A ASN 401.A ND2 GLU 306.A OE2 no hydrogen 2.900 N/A ASN 401.A ND2 GLU 427.A O no hydrogen 3.031 N/A ALA 402.A N PRO 399.A O no hydrogen 3.004 N/A VAL 403.A N VAL 425.A O no hydrogen 2.895 N/A LEU 404.A N ASP 31.A OD1 no hydrogen 2.909 N/A LEU 405.A N ILE 423.A O no hydrogen 2.756 N/A GLU 407.A N ILE 419.A O no hydrogen 2.753 N/A ILE 409.A N MET 417.A O no hydrogen 3.031 N/A ASP 411.A N VAL 415.A O no hydrogen 2.812 N/A THR 413.A N ASP 411.A OD1 no hydrogen 2.908 N/A THR 413.A OG1 ASP 411.A OD1 no hydrogen 2.721 N/A THR 413.A OG1 ASP 411.A OD2 no hydrogen 3.552 N/A GLY 414.A N ASP 411.A O no hydrogen 3.098 N/A VAL 415.A N ASP 411.A OD1 no hydrogen 3.165 N/A MET 417.A N ILE 409.A O no hydrogen 2.661 N/A ILE 419.A N GLU 407.A O no hydrogen 2.565 N/A ARG 421.A N ASN 406.A OD1 no hydrogen 2.920 N/A ARG 421.A NE ILE 392.A O no hydrogen 2.752 N/A ALA 422.A N LEU 405.A O no hydrogen 2.713 N/A ILE 423.A N LEU 405.A O no hydrogen 3.354 N/A ALA 424.A N ARG 454.A O no hydrogen 2.973 N/A VAL 425.A N VAL 403.A O no hydrogen 2.962 N/A PHE 426.A N VAL 452.A O no hydrogen 2.951 N/A ARG 428.A N GLU 450.A O no hydrogen 2.804 N/A ARG 428.A NE GLU 450.A OE1 no hydrogen 2.816 N/A ARG 428.A NH2 GLU 450.A OE1 no hydrogen 3.166 N/A ALA 430.A N ARG 448.A O no hydrogen 2.728 N/A GLU 433.A N THR 446.A O no hydrogen 2.658 N/A HIS 436.A N VAL 444.A O no hydrogen 2.845 N/A HIS 436.A NE2 GLU 438.A OE1 no hydrogen 2.611 N/A GLN 437.A NE2 GLU 438.A O no hydrogen 3.097 N/A GLN 437.A NE2 GLN 441.A O no hydrogen 2.714 N/A GLN 441.A N GLU 438.A O no hydrogen 3.010 N/A VAL 444.A N HIS 436.A O no hydrogen 2.947 N/A SER 445.A OG ASN 443.A OD1 no hydrogen 3.139 N/A THR 446.A N TYR 434.A O no hydrogen 3.127 N/A ARG 448.A N GLY 431.A O no hydrogen 2.833 N/A ARG 448.A NE GLU 433.A OE1 no hydrogen 2.630 N/A ARG 448.A NH2 GLU 433.A OE1 no hydrogen 3.193 N/A ARG 449.A N GLU 471.A OE2 no hydrogen 3.410 N/A ARG 449.A NE GLU 447.A OE2 no hydrogen 3.109 N/A ARG 449.A NH1 GLU 427.A OE2 no hydrogen 2.710 N/A ARG 449.A NH2 GLU 447.A OE2 no hydrogen 3.565 N/A GLU 450.A N ARG 428.A O no hydrogen 2.864 N/A LEU 451.A N PHE 469.A O no hydrogen 3.077 N/A VAL 452.A N PHE 426.A O no hydrogen 2.714 N/A VAL 453.A N TRP 467.A O no hydrogen 2.905 N/A ARG 454.A N ALA 424.A O no hydrogen 2.746 N/A ARG 454.A NE ASP 466.A OD1 no hydrogen 2.736 N/A ARG 454.A NH1 ASP 397.A O no hydrogen 2.783 N/A ARG 454.A NH2 ASP 466.A OD1 no hydrogen 3.524 N/A ARG 454.A NH2 ASP 466.A OD2 no hydrogen 2.837 N/A TRP 455.A N PHE 465.A O no hydrogen 2.878 N/A TRP 455.A NE1 THR 389.A OG1 no hydrogen 2.940 N/A SER 457.A N TYR 463.A O no hydrogen 3.086 N/A SER 457.A OG MET 385.A O no hydrogen 2.788 N/A THR 458.A N LEU 388.A O no hydrogen 3.224 N/A THR 458.A OG1 SER 390.A OG no hydrogen 2.663 N/A THR 458.A OG1 ASP 462.A OD2 no hydrogen 2.585 N/A TYR 463.A N SER 457.A O no hydrogen 2.849 N/A ILE 464.A N GLY 480.A O no hydrogen 2.886 N/A PHE 465.A N TRP 455.A O no hydrogen 2.733 N/A ASP 466.A N ASP 478.A O no hydrogen 2.925 N/A TRP 467.A N VAL 453.A O no hydrogen 2.957 N/A ILE 468.A N GLY 476.A O no hydrogen 2.744 N/A PHE 469.A N LEU 451.A O no hydrogen 2.869 N/A HIS 470.A N THR 474.A O no hydrogen 2.863 N/A GLY 473.A N HIS 470.A O no hydrogen 3.080 N/A ILE 475.A N LEU 703.A O no hydrogen 2.935 N/A GLY 476.A N ILE 468.A O no hydrogen 2.770 N/A ILE 477.A N THR 701.A O no hydrogen 3.343 N/A ASP 478.A N ASP 466.A O no hydrogen 3.005 N/A ALA 479.A N VAL 699.A O no hydrogen 2.974 N/A GLY 480.A N ILE 464.A O no hydrogen 2.750 N/A ALA 481.A N GLU 697.A O no hydrogen 2.883 N/A THR 482.A N ASP 462.A O no hydrogen 2.949 N/A THR 482.A OG1 MET 694.A O no hydrogen 2.629 N/A ILE 484.A N ASN 461.A O no hydrogen 2.916 N/A LYS 488.A N VAL 515.A O no hydrogen 2.894 N/A LYS 488.A NZ ASP 367.A OD1 no hydrogen 3.494 N/A LYS 488.A NZ ASP 367.A OD2 no hydrogen 2.652 N/A LYS 488.A NZ ASP 369.A OD2 no hydrogen 2.849 N/A GLY 489.A N GLU 258.A OE1 no hydrogen 2.865 N/A VAL 490.A N ASN 513.A O no hydrogen 2.976 N/A ALA 492.A N ASP 503.A OD2 no hydrogen 2.935 N/A LYS 493.A N ASP 497.A OD2 no hydrogen 2.807 N/A HIS 496.A N THR 494.A OG1 no hydrogen 3.132 N/A ASP 497.A N THR 494.A O no hydrogen 3.430 N/A THR 499.A OG1 ASP 503.A OD2 no hydrogen 3.077 N/A ALA 500.A N ASP 497.A O no hydrogen 2.997 N/A ASP 503.A N THR 499.A O no hydrogen 2.565 N/A THR 504.A N ALA 500.A O no hydrogen 2.898 N/A THR 504.A OG1 ALA 500.A O no hydrogen 2.820 N/A ARG 505.A N ASP 502.A O no hydrogen 3.297 N/A ARG 505.A NH2 ASP 502.A OD1 no hydrogen 2.944 N/A THR 508.A OG1 ALA 686.A O no hydrogen 2.710 N/A ILE 510.A N ILE 514.A O no hydrogen 2.968 N/A ASP 511.A N ILE 514.A O no hydrogen 3.375 N/A HIS 512.A N ASP 511.A OD1 no hydrogen 2.757 N/A ASN 513.A N ALA 492.A O no hydrogen 2.843 N/A ASN 513.A ND2 VAL 490.A O no hydrogen 3.026 N/A ILE 514.A N ASP 511.A O no hydrogen 3.243 N/A VAL 515.A N LYS 488.A O no hydrogen 3.069 N/A GLY 516.A N THR 508.A O no hydrogen 2.851 N/A THR 518.A N TYR 506.A O no hydrogen 2.873 N/A THR 518.A OG1 TYR 506.A O no hydrogen 3.447 N/A HIS 519.A N HIS 684.A O no hydrogen 3.431 N/A HIS 519.A ND1 THR 517.A O no hydrogen 2.762 N/A GLN 520.A N PRO 364.A O no hydrogen 3.196 N/A HIS 521.A N THR 682.A O no hydrogen 2.853 N/A ILE 522.A N ILE 362.A O no hydrogen 2.886 N/A TYR 523.A N THR 680.A O no hydrogen 2.663 N/A ASN 524.A N GLY 360.A O no hydrogen 2.822 N/A PHE 525.A N MET 678.A O no hydrogen 2.865 N/A ARG 526.A N SER 357.A O no hydrogen 2.966 N/A ARG 526.A NE GLU 642.A O no hydrogen 3.100 N/A LEU 527.A N VAL 676.A O no hydrogen 2.701 N/A ASP 528.A N GLU 355.A O no hydrogen 2.636 N/A LEU 529.A N LEU 527.A O no hydrogen 2.954 N/A ASP 530.A N VAL 352.A O no hydrogen 2.998 N/A ASP 532.A N LYS 351.A O no hydrogen 2.820 N/A GLY 533.A N ASP 530.A O no hydrogen 3.425 N/A ASN 536.A N THR 672.A O no hydrogen 2.940 N/A SER 537.A N SER 584.A O no hydrogen 2.778 N/A VAL 539.A N LEU 582.A O no hydrogen 2.915 N/A ALA 540.A N TYR 563.A O no hydrogen 2.660 N/A MET 541.A N ILE 580.A O no hydrogen 2.986 N/A ASP 542.A N ASN 561.A O no hydrogen 2.789 N/A VAL 544.A N GLN 559.A O no hydrogen 2.674 N/A LYS 546.A N THR 557.A O no hydrogen 2.889 N/A ASN 548.A N THR 555.A O no hydrogen 2.712 N/A ARG 554.A NH2 SER 556.A O no hydrogen 3.455 N/A THR 557.A N LYS 546.A O no hydrogen 2.635 N/A THR 557.A OG1 LYS 546.A O no hydrogen 3.074 N/A GLN 559.A N VAL 544.A O no hydrogen 2.761 N/A GLN 559.A NE2 THR 557.A OG1 no hydrogen 2.926 N/A ASN 561.A N ASP 542.A O no hydrogen 2.749 N/A TYR 563.A N ALA 540.A O no hydrogen 2.866 N/A TYR 563.A OH ASP 542.A OD2 no hydrogen 2.678 N/A ILE 565.A N LEU 538.A O no hydrogen 2.908 N/A GLU 568.A N GLU 667.A O no hydrogen 2.855 N/A ALA 571.A N ASN 567.A O no hydrogen 3.047 N/A ALA 572.A N GLU 568.A O no hydrogen 3.229 N/A GLN 573.A N LEU 633.A O no hydrogen 2.675 N/A GLN 573.A NE2 ASP 570.A O no hydrogen 3.490 N/A LYS 574.A NZ LYS 612.A O no hydrogen 3.205 N/A GLY 578.A N ASP 576.A OD1 no hydrogen 2.914 N/A THR 579.A N ASP 576.A O no hydrogen 2.776 N/A THR 579.A OG1 ASP 576.A O no hydrogen 2.585 N/A ILE 580.A N MET 541.A O no hydrogen 3.089 N/A ARG 581.A NE GLN 573.A OE1 no hydrogen 2.905 N/A ARG 581.A NH1 ASP 542.A OD1 no hydrogen 2.722 N/A ARG 581.A NH1 ILE 580.A O no hydrogen 2.845 N/A ARG 581.A NH2 ASP 542.A OD1 no hydrogen 3.164 N/A LEU 582.A N VAL 539.A O no hydrogen 2.992 N/A LEU 583.A N TYR 598.A O no hydrogen 2.881 N/A SER 584.A N SER 537.A O no hydrogen 2.813 N/A SER 584.A OG SER 597.A OG no hydrogen 2.763 N/A ASN 585.A N VAL 596.A O no hydrogen 2.860 N/A ASN 585.A ND2 VAL 531.A O no hydrogen 3.033 N/A ASN 587.A N ASN 585.A OD1 no hydrogen 2.995 N/A ASN 587.A ND2 ASN 585.A OD1 no hydrogen 2.951 N/A LYS 588.A N ASN 585.A O no hydrogen 3.242 N/A LYS 588.A NZ ASP 532.A O no hydrogen 2.559 N/A ASN 590.A N ASN 594.A O no hydrogen 2.625 N/A ARG 591.A N ASP 710.A OD1 no hydrogen 2.863 N/A GLY 593.A N ASN 590.A O no hydrogen 2.992 N/A VAL 596.A N LYS 588.A O no hydrogen 2.805 N/A SER 597.A N TRP 706.A O no hydrogen 3.128 N/A SER 597.A OG SER 584.A OG no hydrogen 2.763 N/A SER 597.A OG PRO 595.A O no hydrogen 2.992 N/A TYR 598.A N LEU 583.A O no hydrogen 2.866 N/A TYR 598.A OH GLY 473.A O no hydrogen 2.684 N/A GLN 599.A N LYS 704.A O no hydrogen 2.730 N/A ILE 600.A N ARG 581.A O no hydrogen 2.769 N/A ILE 601.A N LEU 702.A O no hydrogen 2.764 N/A ALA 604.A N HIS 700.A O no hydrogen 2.901 N/A THR 607.A N TRP 698.A O no hydrogen 2.959 N/A THR 607.A OG1 GLU 697.A OE1 no hydrogen 2.461 N/A THR 607.A OG1 TRP 698.A O no hydrogen 3.496 N/A HIS 608.A NE2 GLU 690.A OE2 no hydrogen 2.851 N/A ALA 611.A N GLY 681.A O no hydrogen 3.053 N/A ALA 614.A N ASP 630.A OD1 no hydrogen 2.867 N/A GLU 620.A N ALA 617.A O no hydrogen 3.033 N/A TYR 623.A OH ASP 630.A OD2 no hydrogen 2.932 N/A HIS 624.A N GLU 620.A O no hydrogen 3.060 N/A ARG 625.A N TRP 621.A O no hydrogen 2.820 N/A ARG 625.A NE SER 653.A O no hydrogen 2.945 N/A ARG 625.A NE SER 653.A OG no hydrogen 3.275 N/A ARG 625.A NH2 SER 653.A OG no hydrogen 3.191 N/A LEU 626.A N ILE 622.A O no hydrogen 2.883 N/A SER 627.A N ASP 656.A OD2 no hydrogen 2.863 N/A SER 627.A OG ASP 656.A OD2 no hydrogen 2.927 N/A ASP 630.A N SER 627.A O no hydrogen 3.291 N/A LYS 631.A NZ ALA 572.A O no hydrogen 2.860 N/A GLN 632.A N GLN 573.A O no hydrogen 3.125 N/A LEU 633.A N GLN 573.A O no hydrogen 3.044 N/A TRP 634.A N TRP 677.A O no hydrogen 3.048 N/A TRP 634.A NE1 LYS 631.A O no hydrogen 3.134 N/A THR 636.A N VAL 675.A O no hydrogen 2.869 N/A ARG 637.A N GLU 568.A OE2 no hydrogen 2.712 N/A TYR 638.A N ASP 673.A O no hydrogen 2.784 N/A GLU 642.A N HIS 639.A O no hydrogen 3.151 N/A ARG 643.A NH1 GLU 355.A OE2 no hydrogen 3.171 N/A ARG 643.A NH2 GLU 355.A OE1 no hydrogen 2.739 N/A ARG 643.A NH2 GLU 355.A OE2 no hydrogen 3.414 N/A GLU 646.A N GLU 646.A OE1 no hydrogen 2.659 N/A GLY 647.A N PHE 644.A O no hydrogen 2.988 N/A LYS 648.A NZ GLU 160.A OE2 no hydrogen 2.988 N/A TYR 649.A OH GLU 160.A OE2 no hydrogen 2.361 N/A ASN 651.A ND2 GLY 181.A O no hydrogen 2.784 N/A ARG 652.A NH1 LYS 233.A O no hydrogen 2.763 N/A ARG 652.A NH1 ALA 236.A O no hydrogen 2.812 N/A ARG 652.A NH2 LYS 233.A O no hydrogen 2.954 N/A SER 653.A OG PRO 650.A O no hydrogen 3.553 N/A GLY 658.A N ASP 656.A OD1 no hydrogen 2.817 N/A LEU 659.A N PRO 645.A O no hydrogen 3.029 N/A GLY 660.A N ASP 656.A OD1 no hydrogen 2.997 N/A TYR 662.A N GLY 658.A O no hydrogen 2.939 N/A TYR 662.A OH PHE 644.A O no hydrogen 2.986 N/A SER 663.A N LEU 659.A O no hydrogen 3.080 N/A SER 663.A OG LEU 659.A O no hydrogen 2.925 N/A LYS 664.A N GLN 661.A O no hydrogen 3.121 N/A ASN 666.A N SER 663.A O no hydrogen 3.153 N/A GLU 667.A N GLU 568.A OE1 no hydrogen 2.779 N/A LEU 669.A N GLY 566.A O no hydrogen 2.823 N/A ASP 670.A N SER 668.A OG no hydrogen 3.148 N/A ASN 671.A N SER 537.A OG no hydrogen 2.955 N/A THR 672.A N ASN 536.A O no hydrogen 2.869 N/A VAL 675.A N THR 636.A O no hydrogen 2.820 N/A VAL 676.A N LEU 527.A O no hydrogen 2.960 N/A TRP 677.A N TRP 634.A O no hydrogen 2.809 N/A TRP 677.A NE1 THR 636.A OG1 no hydrogen 2.825 N/A MET 678.A N PHE 525.A O no hydrogen 2.985 N/A THR 679.A N GLN 632.A O no hydrogen 2.895 N/A THR 679.A OG1 ASN 524.A OD1 no hydrogen 2.828 N/A THR 679.A OG1 PHE 628.A O no hydrogen 2.994 N/A THR 680.A N TYR 523.A O no hydrogen 2.768 N/A THR 680.A OG1 PRO 602.A O no hydrogen 3.241 N/A THR 682.A N HIS 521.A O no hydrogen 2.858 N/A THR 683.A N PRO 609.A O no hydrogen 2.853 N/A THR 683.A OG1 GLN 520.A OE1 no hydrogen 3.176 N/A HIS 684.A N HIS 519.A O no hydrogen 2.854 N/A HIS 684.A NE2 GLU 690.A OE1 no hydrogen 2.737 N/A ARG 687.A NE GLU 690.A OE2 no hydrogen 3.212 N/A ARG 687.A NH2 GLU 690.A OE2 no hydrogen 3.107 N/A GLU 689.A N GLU 689.A OE1 no hydrogen 2.881 N/A GLU 690.A N ARG 687.A O no hydrogen 3.165 N/A TRP 691.A N ALA 688.A O no hydrogen 3.272 N/A TRP 691.A NE1 ASP 511.A OD2 no hydrogen 2.925 N/A MET 694.A N GLY 483.A O no hydrogen 2.829 N/A GLU 697.A N ALA 481.A O no hydrogen 2.852 N/A TRP 698.A N THR 607.A OG1 no hydrogen 2.906 N/A VAL 699.A N ALA 479.A O no hydrogen 2.934 N/A HIS 700.A N GLY 605.A O no hydrogen 2.926 N/A HIS 700.A ND1 ASP 478.A OD1 no hydrogen 2.846 N/A THR 701.A N ILE 477.A O no hydrogen 2.988 N/A THR 701.A OG1 ILE 477.A O no hydrogen 3.080 N/A LEU 702.A N ILE 601.A O no hydrogen 2.981 N/A LEU 703.A N ILE 475.A O no hydrogen 2.955 N/A LYS 704.A N GLN 599.A O no hydrogen 2.968 N/A TRP 706.A N SER 597.A O no hydrogen 2.802 N/A THR 714.A OG1 GLU 433.A OE2 no hydrogen 2.817 N/A