Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3awi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N LEU 1.A O no hydrogen 3.251 N/A TYR 6.A N GLU 2.A O no hydrogen 2.988 N/A TYR 6.A OH LYS 197.A O no hydrogen 2.642 N/A VAL 7.A N GLU 3.A O no hydrogen 2.894 N/A PHE 8.A N THR 4.A O no hydrogen 2.908 N/A GLY 10.A N ARG 5.A O no hydrogen 2.794 N/A GLY 11.A N TYR 6.A O no hydrogen 3.187 N/A GLY 11.A N VAL 7.A O no hydrogen 2.879 N/A ASN 12.A ND2 PHE 8.A O no hydrogen 2.898 N/A ASN 12.A ND2 TRP 141.A O no hydrogen 3.210 N/A GLN 13.A N GLY 10.A O no hydrogen 2.871 N/A GLN 13.A NE2 GLY 10.A O no hydrogen 3.547 N/A GLN 13.A NE2 GLY 11.A O no hydrogen 2.816 N/A LEU 14.A N LEU 9.A O no hydrogen 3.042 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 3.141 N/A ARG 17.A N GLN 13.A O no hydrogen 2.722 N/A ARG 17.A NH1 ASN 12.A O no hydrogen 2.992 N/A ARG 17.A NH2 ASP 139.A O no hydrogen 3.144 N/A PHE 18.A N LEU 14.A O no hydrogen 2.897 N/A GLU 20.A N ARG 17.A O no hydrogen 3.132 N/A HIS 21.A N PHE 18.A O no hydrogen 2.909 N/A HIS 21.A NE2 LEU 25.A O no hydrogen 2.908 N/A PHE 26.A N ARG 60.A O no hydrogen 2.930 N/A VAL 27.A N ASP 139.A OD1 no hydrogen 2.819 N/A VAL 28.A N HIS 62.A O no hydrogen 2.871 N/A ALA 29.A N ALA 140.A O no hydrogen 3.049 N/A GLU 30.A N ILE 64.A O no hydrogen 2.828 N/A SER 31.A N PHE 142.A O no hydrogen 3.072 N/A SER 31.A OG ASP 144.A O no hydrogen 2.548 N/A PHE 33.A N PHE 66.A O no hydrogen 2.847 N/A GLY 34.A N GLU 67.A OE1 no hydrogen 3.273 N/A GLY 36.A N PHE 33.A O no hydrogen 2.630 N/A ASN 38.A ND2 GLU 30.A OE2 no hydrogen 3.158 N/A LEU 40.A N GLY 36.A O no hydrogen 2.979 N/A THR 41.A N LEU 37.A O no hydrogen 2.910 N/A THR 41.A OG1 LEU 37.A O no hydrogen 3.169 N/A LEU 42.A N ASN 38.A O no hydrogen 2.931 N/A TRP 43.A N PHE 39.A O no hydrogen 2.870 N/A GLN 44.A N LEU 40.A O no hydrogen 2.899 N/A GLN 44.A NE2 GLU 85.A OE2 no hydrogen 3.396 N/A ALA 45.A N THR 41.A O no hydrogen 2.935 N/A PHE 46.A N LEU 42.A O no hydrogen 2.870 N/A ASP 47.A N TRP 43.A O no hydrogen 2.927 N/A GLN 48.A N GLN 44.A O no hydrogen 2.922 N/A PHE 49.A N ALA 45.A O no hydrogen 2.880 N/A ARG 50.A N PHE 46.A O no hydrogen 2.926 N/A ARG 50.A NH1 ALA 56.A O no hydrogen 3.205 N/A ARG 50.A NH1 LEU 58.A O no hydrogen 3.137 N/A ARG 50.A NH2 PRO 54.A O no hydrogen 2.947 N/A GLU 51.A N ASP 47.A O no hydrogen 2.898 N/A ALA 52.A N GLN 48.A O no hydrogen 2.929 N/A HIS 53.A N PHE 49.A O no hydrogen 2.937 N/A GLN 55.A N GLN 55.A OE1 no hydrogen 2.798 N/A ALA 56.A N HIS 53.A O no hydrogen 2.814 N/A GLN 59.A N PRO 24.A O no hydrogen 3.062 N/A ARG 60.A N PRO 24.A O no hydrogen 2.943 N/A ARG 60.A NH2 GLU 603.A OE2 no hydrogen 2.617 N/A LEU 61.A N ARG 113.A O no hydrogen 2.858 N/A HIS 62.A N PHE 26.A O no hydrogen 2.889 N/A HIS 62.A NE2 ASP 117.A OD2 no hydrogen 2.894 N/A PHE 63.A N THR 115.A O no hydrogen 2.752 N/A ILE 64.A N VAL 28.A O no hydrogen 2.872 N/A SER 65.A N ASP 117.A O no hydrogen 3.067 N/A SER 65.A OG GLU 30.A O no hydrogen 3.237 N/A SER 65.A OG GLU 30.A OE1 no hydrogen 2.740 N/A PHE 66.A N GLU 30.A O no hydrogen 3.094 N/A GLU 67.A N TRP 119.A O no hydrogen 2.926 N/A LYS 68.A NZ ASP 122.A OD2 no hydrogen 3.252 N/A THR 72.A OG1 ASP 75.A OD2 no hydrogen 3.246 N/A ALA 74.A N THR 72.A OG1 no hydrogen 3.308 N/A ALA 77.A N ARG 73.A O no hydrogen 2.946 N/A LEU 78.A N ALA 74.A O no hydrogen 2.935 N/A ALA 79.A N ASP 75.A O no hydrogen 2.897 N/A HIS 80.A N LEU 76.A O no hydrogen 2.896 N/A HIS 80.A NE2 THR 35.A O no hydrogen 3.104 N/A GLN 81.A N ALA 77.A O no hydrogen 2.939 N/A HIS 82.A N ALA 79.A O no hydrogen 3.176 N/A TRP 83.A N HIS 80.A O no hydrogen 3.094 N/A LEU 86.A N TRP 83.A O no hydrogen 3.172 N/A ALA 87.A N PRO 84.A O no hydrogen 2.955 N/A TRP 89.A N LEU 86.A O no hydrogen 2.924 N/A TRP 89.A NE1 ASP 47.A OD2 no hydrogen 2.824 N/A ALA 90.A N LEU 86.A O no hydrogen 3.026 N/A GLU 91.A N ALA 87.A O no hydrogen 2.850 N/A GLN 92.A NE2 PRO 88.A O no hydrogen 3.296 N/A LEU 93.A N TRP 89.A O no hydrogen 3.051 N/A GLN 94.A N ALA 90.A O no hydrogen 2.760 N/A GLN 94.A NE2 HIS 80.A ND1 no hydrogen 3.282 N/A ALA 95.A N GLU 91.A O no hydrogen 2.777 N/A GLN 96.A N GLN 92.A O no hydrogen 3.308 N/A GLN 96.A NE2 LEU 108.A O no hydrogen 2.885 N/A TRP 97.A N GLN 94.A O no hydrogen 2.982 N/A TRP 97.A NE1 LEU 71.A O no hydrogen 3.012 N/A LEU 101.A N MET 99.A O no hydrogen 2.705 N/A GLY 103.A N PHE 120.A O no hydrogen 3.273 N/A HIS 105.A N LEU 118.A O no hydrogen 2.865 N/A HIS 105.A NE2 LEU 101.A O no hydrogen 2.862 N/A ARG 106.A NE ASP 117.A OD1 no hydrogen 2.790 N/A ARG 106.A NH1 GLU 594.A OE1 no hydrogen 2.936 N/A ARG 106.A NH2 ASP 117.A OD1 no hydrogen 3.463 N/A ARG 106.A NH2 ASP 117.A OD2 no hydrogen 2.860 N/A ARG 106.A NH2 PRO 604.A O no hydrogen 2.718 N/A LEU 107.A N LEU 116.A O no hydrogen 2.840 N/A LEU 109.A N VAL 114.A O no hydrogen 2.877 N/A ARG 113.A N ASP 110.A O no hydrogen 3.098 N/A VAL 114.A N LEU 109.A O no hydrogen 2.947 N/A THR 115.A N LEU 61.A O no hydrogen 2.810 N/A LEU 116.A N LEU 107.A O no hydrogen 2.949 N/A ASP 117.A N PHE 63.A O no hydrogen 2.667 N/A LEU 118.A N HIS 105.A O no hydrogen 2.867 N/A TRP 119.A N SER 65.A O no hydrogen 2.975 N/A PHE 120.A N GLY 103.A O no hydrogen 2.992 N/A GLY 121.A N GLU 67.A O no hydrogen 2.991 N/A ASN 124.A N ASP 122.A OD1 no hydrogen 3.213 N/A ASN 124.A ND2 MET 154.A O no hydrogen 3.603 N/A LEU 126.A N ASP 122.A O no hydrogen 2.868 N/A THR 127.A N ILE 123.A O no hydrogen 2.948 N/A THR 127.A OG1 ASN 124.A O no hydrogen 3.286 N/A SER 128.A OG GLU 125.A O no hydrogen 3.151 N/A GLN 129.A NE2 GLU 125.A O no hydrogen 3.416 N/A LEU 130.A N THR 127.A O no hydrogen 3.387 N/A SER 133.A N ASP 131.A OD2 no hydrogen 2.856 N/A SER 133.A OG ASP 131.A OD2 no hydrogen 2.409 N/A LEU 134.A N ASP 131.A O no hydrogen 2.946 N/A ASN 135.A N ASP 132.A O no hydrogen 2.830 N/A GLN 136.A N ARG 165.A O no hydrogen 2.876 N/A GLN 136.A NE2 LEU 214.A O no hydrogen 3.026 N/A LYS 137.A N LEU 134.A O no hydrogen 3.302 N/A LYS 137.A NZ ASP 602.A O no hydrogen 3.115 N/A VAL 138.A N LEU 166.A O no hydrogen 2.810 N/A ASP 139.A N VAL 27.A O no hydrogen 2.785 N/A ALA 140.A N VAL 27.A O no hydrogen 3.223 N/A TRP 141.A N THR 172.A O no hydrogen 2.898 N/A PHE 142.A N ALA 29.A O no hydrogen 2.715 N/A LEU 143.A N ALA 174.A O no hydrogen 3.194 N/A ASP 144.A N SER 31.A OG no hydrogen 2.735 N/A ASN 151.A N ALA 147.A O no hydrogen 2.835 N/A TRP 155.A N PRO 152.A O no hydrogen 3.088 N/A TRP 155.A NE1 PHE 146.A O no hydrogen 2.963 N/A THR 156.A OG1 ASN 124.A OD1 no hydrogen 2.717 N/A GLN 157.A NE2 ASN 161.A OD1 no hydrogen 2.623 N/A GLN 157.A NE2 GLY 185.A O no hydrogen 2.909 N/A ASN 158.A ND2 ASN 124.A O no hydrogen 3.504 N/A ASN 158.A ND2 ASN 124.A OD1 no hydrogen 3.045 N/A ASN 158.A ND2 THR 127.A OG1 no hydrogen 3.142 N/A LEU 159.A N THR 156.A OG1 no hydrogen 3.157 N/A PHE 160.A N THR 156.A O no hydrogen 3.135 N/A ASN 161.A N GLN 157.A O no hydrogen 2.865 N/A ALA 162.A N ASN 158.A O no hydrogen 2.925 N/A MET 163.A N LEU 159.A O no hydrogen 2.893 N/A ALA 164.A N PHE 160.A O no hydrogen 2.908 N/A ARG 165.A N ASN 161.A O no hydrogen 2.880 N/A ARG 165.A NH1 ASN 135.A OD1 no hydrogen 3.167 N/A ARG 165.A NH2 THR 127.A O no hydrogen 3.034 N/A LEU 166.A N ALA 162.A O no hydrogen 2.920 N/A ALA 167.A N MET 163.A O no hydrogen 2.872 N/A ARG 168.A N VAL 138.A O no hydrogen 2.921 N/A GLY 170.A N MET 210.A O no hydrogen 2.807 N/A GLY 171.A N ARG 168.A O no hydrogen 2.603 N/A THR 172.A N ASP 139.A O no hydrogen 2.840 N/A THR 172.A OG1 ASN 12.A OD1 no hydrogen 2.444 N/A LEU 173.A N GLY 208.A O no hydrogen 2.867 N/A ALA 174.A N TRP 141.A O no hydrogen 3.169 N/A THR 175.A N LEU 206.A O no hydrogen 2.843 N/A THR 175.A OG1 LEU 143.A O no hydrogen 2.836 N/A ALA 179.A N THR 177.A OG1 no hydrogen 3.153 N/A ARG 183.A N ALA 179.A O no hydrogen 3.276 N/A ARG 184.A N GLY 180.A O no hydrogen 2.919 N/A GLY 185.A N PHE 181.A O no hydrogen 2.906 N/A LEU 186.A N VAL 182.A O no hydrogen 2.880 N/A GLN 187.A N ARG 183.A O no hydrogen 2.927 N/A ASP 188.A N ARG 184.A O no hydrogen 2.909 N/A ALA 189.A N GLY 185.A O no hydrogen 3.023 N/A GLY 190.A N GLN 187.A O no hydrogen 3.039 N/A PHE 191.A N LEU 186.A O no hydrogen 2.940 N/A THR 192.A N VAL 209.A O no hydrogen 2.876 N/A THR 192.A OG1 GLU 211.A OE1 no hydrogen 3.118 N/A GLN 194.A N CYS 207.A O no hydrogen 2.902 N/A ARG 196.A N MET 205.A O no hydrogen 2.856 N/A LYS 202.A N PHE 199.A O no hydrogen 3.098 N/A LYS 202.A NZ GLU 3.A OE2 no hydrogen 2.855 N/A MET 205.A N ARG 196.A O no hydrogen 2.612 N/A LEU 206.A N THR 175.A O no hydrogen 2.955 N/A CYS 207.A N GLN 194.A O no hydrogen 2.947 N/A GLY 208.A N LEU 173.A O no hydrogen 2.935 N/A VAL 209.A N THR 192.A O no hydrogen 2.910 N/A MET 210.A N GLY 171.A O no hydrogen 2.839 N/A GLN 212.A NE2 GLY 190.A O no hydrogen 3.240 N/A SER 219.A OG ASP 132.A OD1 no hydrogen 3.504 N/A SER 219.A OG ASP 132.A OD2 no hydrogen 3.440 N/A PHE 223.A N ALA 220.A O no hydrogen 3.245 N/A ASN 224.A N PRO 221.A O no hydrogen 3.063 N/A ASN 224.A ND2 SER 568.A OG no hydrogen 2.981 N/A ARG 225.A NH1 VAL 543.A O no hydrogen 2.606 N/A ARG 225.A NH1 GLN 599.A OE1 no hydrogen 3.179 N/A ARG 225.A NH2 VAL 543.A O no hydrogen 3.275 N/A ARG 225.A NH2 LEU 612.A O no hydrogen 2.738 N/A THR 226.A N ASN 545.A OD1 no hydrogen 3.344 N/A THR 226.A OG1 ASN 545.A OD1 no hydrogen 3.060 N/A SER 228.A N MET 600.A O no hydrogen 2.932 N/A SER 228.A OG ASP 574.A OD1 no hydrogen 2.738 N/A LYS 230.A N SER 228.A OG no hydrogen 2.943 N/A ARG 231.A NH1 SER 228.A O no hydrogen 2.930 N/A ARG 231.A NH1 LYS 230.A O no hydrogen 3.084 N/A ALA 233.A N GLN 255.A O no hydrogen 2.915 N/A ALA 234.A N VAL 422.A O no hydrogen 2.850 N/A ILE 235.A N THR 257.A O no hydrogen 2.791 N/A ILE 236.A N VAL 424.A O no hydrogen 2.859 N/A GLY 237.A N TYR 259.A O no hydrogen 3.084 N/A GLY 238.A N SER 242.A OG no hydrogen 2.665 N/A ILE 240.A N SER 270.A OG no hydrogen 3.218 N/A SER 242.A OG GLY 239.A O no hydrogen 2.787 N/A ALA 243.A N GLY 239.A O no hydrogen 3.154 N/A LEU 244.A N ILE 240.A O no hydrogen 2.969 N/A LEU 245.A N ALA 241.A O no hydrogen 2.952 N/A SER 246.A N SER 242.A O no hydrogen 2.876 N/A SER 246.A OG SER 242.A O no hydrogen 3.172 N/A SER 246.A OG ALA 243.A O no hydrogen 2.696 N/A LEU 247.A N ALA 243.A O no hydrogen 3.018 N/A ALA 248.A N LEU 244.A O no hydrogen 3.013 N/A LEU 249.A N LEU 245.A O no hydrogen 2.879 N/A LEU 250.A N SER 246.A O no hydrogen 2.948 N/A ARG 251.A N LEU 247.A O no hydrogen 2.970 N/A ARG 251.A NH2 GLU 594.A OE2 no hydrogen 2.750 N/A ARG 252.A N LEU 249.A O no hydrogen 2.751 N/A ARG 252.A NE GLU 603.A OE1 no hydrogen 2.888 N/A ARG 252.A NH2 GLU 594.A OE1 no hydrogen 2.910 N/A GLY 253.A N LEU 250.A O no hydrogen 2.995 N/A TRP 254.A N LEU 249.A O no hydrogen 3.214 N/A TRP 254.A NE1 SER 601.A OG no hydrogen 2.823 N/A GLN 255.A N ARG 231.A O no hydrogen 2.904 N/A THR 257.A N ALA 233.A O no hydrogen 2.973 N/A LEU 258.A N GLN 391.A O no hydrogen 2.840 N/A TYR 259.A N ILE 235.A O no hydrogen 2.889 N/A TYR 259.A OH HIS 420.A NE2 no hydrogen 2.786 N/A CYS 260.A N TYR 393.A O no hydrogen 2.934 N/A CYS 260.A SG GLY 237.A O no hydrogen 3.353 N/A CYS 260.A SG ALA 264.A O no hydrogen 3.791 N/A ALA 266.A N GLY 238.A O no hydrogen 2.778 N/A GLY 271.A N GLY 268.A O no hydrogen 3.028 N/A GLN 274.A NE2 PRO 473.A O no hydrogen 2.656 N/A GLY 275.A N LEU 372.A O no hydrogen 2.924 N/A LEU 277.A N GLY 370.A O no hydrogen 2.658 N/A SER 282.A N ASN 289.A OD1 no hydrogen 3.377 N/A LYS 283.A NZ SER 335.A OG no hydrogen 2.795 N/A ASP 285.A N SER 282.A OG no hydrogen 3.145 N/A LEU 288.A N ASP 285.A OD1 no hydrogen 3.224 N/A ASN 289.A N ASP 285.A O no hydrogen 3.129 N/A ARG 290.A N GLU 286.A O no hydrogen 2.872 N/A ARG 290.A NH1 ASP 608.A OD2 no hydrogen 3.133 N/A PHE 291.A N ALA 287.A O no hydrogen 2.864 N/A PHE 292.A N LEU 288.A O no hydrogen 2.933 N/A SER 293.A N ASN 289.A O no hydrogen 2.949 N/A SER 293.A OG ASN 289.A O no hydrogen 2.760 N/A ASN 294.A N ARG 290.A O no hydrogen 2.990 N/A ASN 294.A ND2 PRO 102.A O no hydrogen 3.342 N/A ALA 295.A N PHE 291.A O no hydrogen 2.831 N/A PHE 296.A N PHE 292.A O no hydrogen 2.853 N/A THR 297.A N SER 293.A O no hydrogen 3.039 N/A THR 297.A OG1 SER 293.A O no hydrogen 3.206 N/A THR 297.A OG1 ASN 294.A O no hydrogen 3.000 N/A PHE 298.A N ASN 294.A O no hydrogen 2.913 N/A ALA 299.A N ALA 295.A O no hydrogen 2.837 N/A ARG 300.A N PHE 296.A O no hydrogen 2.995 N/A ARG 300.A NE GLN 368.A O no hydrogen 2.931 N/A ARG 300.A NH2 GLN 368.A OE1 no hydrogen 3.181 N/A ARG 301.A N THR 297.A O no hydrogen 3.019 N/A ARG 301.A NH2 ARG 106.A O no hydrogen 2.908 N/A PHE 302.A N PHE 298.A O no hydrogen 2.835 N/A TYR 303.A N ALA 299.A O no hydrogen 2.875 N/A TYR 303.A OH LEU 586.A O no hydrogen 2.728 N/A ASP 304.A N ARG 300.A O no hydrogen 2.983 N/A GLN 305.A N ARG 301.A O no hydrogen 2.959 N/A GLN 305.A NE2 LEU 108.A O no hydrogen 2.543 N/A LEU 306.A N PHE 302.A O no hydrogen 2.860 N/A VAL 308.A N LEU 306.A O no hydrogen 2.908 N/A ASP 311.A N GLU 376.A OE1 no hydrogen 2.584 N/A HIS 312.A ND1 PHE 310.A O no hydrogen 2.760 N/A ASP 313.A N TRP 371.A O no hydrogen 3.031 N/A TRP 314.A NE1 ASP 304.A OD1 no hydrogen 3.228 N/A CYS 315.A SG GLY 316.A O no hydrogen 3.439 N/A GLY 316.A N GLY 369.A O no hydrogen 2.889 N/A VAL 317.A N TYR 366.A O no hydrogen 2.896 N/A THR 318.A N VAL 464.A O no hydrogen 2.860 N/A THR 318.A OG1 THR 365.A OG1 no hydrogen 2.995 N/A THR 318.A OG1 GLN 463.A OE1 no hydrogen 3.007 N/A GLN 319.A N ILE 364.A O no hydrogen 2.908 N/A LEU 320.A N CYS 466.A O no hydrogen 3.047 N/A GLY 321.A N SER 362.A O no hydrogen 3.286 N/A ASP 323.A N SER 326.A OG no hydrogen 3.110 N/A SER 326.A N ASP 323.A OD1 no hydrogen 3.054 N/A SER 326.A OG ASP 323.A O no hydrogen 3.130 N/A SER 326.A OG ASP 323.A OD1 no hydrogen 2.394 N/A GLN 327.A N ASP 323.A O no hydrogen 3.075 N/A HIS 328.A N GLU 324.A O no hydrogen 2.885 N/A LYS 329.A N LYS 325.A O no hydrogen 2.968 N/A ILE 330.A N SER 326.A O no hydrogen 2.929 N/A ALA 331.A N GLN 327.A O no hydrogen 2.901 N/A GLN 332.A N HIS 328.A O no hydrogen 2.906 N/A MET 333.A N LYS 329.A O no hydrogen 3.014 N/A LEU 334.A N ILE 330.A O no hydrogen 2.918 N/A SER 335.A N ALA 331.A O no hydrogen 2.874 N/A SER 335.A N GLN 332.A O no hydrogen 2.677 N/A SER 335.A OG GLN 332.A O no hydrogen 2.592 N/A MET 336.A N GLN 332.A O no hydrogen 3.053 N/A MET 336.A N MET 333.A O no hydrogen 3.212 N/A ASP 337.A N LEU 334.A O no hydrogen 3.449 N/A LEU 342.A N PRO 339.A O no hydrogen 2.906 N/A ALA 343.A N PRO 339.A O no hydrogen 3.375 N/A VAL 344.A N THR 365.A O no hydrogen 2.963 N/A VAL 346.A N GLY 363.A O no hydrogen 2.880 N/A ALA 350.A N GLU 347.A O no hydrogen 2.838 N/A VAL 351.A N GLU 347.A O no hydrogen 2.993 N/A ILE 354.A N ALA 350.A O no hydrogen 2.970 N/A THR 355.A N VAL 351.A O no hydrogen 2.895 N/A THR 355.A OG1 VAL 351.A O no hydrogen 2.873 N/A GLY 356.A N GLU 352.A O no hydrogen 2.748 N/A VAL 357.A N THR 355.A OG1 no hydrogen 2.994 N/A CYS 361.A SG GLY 321.A O no hydrogen 3.348 N/A CYS 361.A SG THR 359.A O no hydrogen 3.906 N/A CYS 361.A SG THR 359.A OG1 no hydrogen 3.412 N/A CYS 361.A SG SER 362.A O no hydrogen 3.674 N/A GLY 363.A N VAL 346.A O no hydrogen 2.912 N/A ILE 364.A N GLN 319.A O no hydrogen 2.897 N/A THR 365.A N VAL 344.A O no hydrogen 2.765 N/A THR 365.A OG1 THR 318.A OG1 no hydrogen 2.995 N/A TYR 366.A N VAL 317.A O no hydrogen 2.902 N/A TYR 366.A OH GLN 319.A OE1 no hydrogen 2.658 N/A GLY 369.A N TYR 366.A O no hydrogen 3.389 N/A GLY 370.A N LEU 277.A O no hydrogen 3.063 N/A TRP 371.A N ASP 313.A O no hydrogen 3.105 N/A LEU 372.A N GLY 275.A O no hydrogen 2.932 N/A CYS 373.A N ASP 311.A O no hydrogen 3.006 N/A ALA 375.A N ASN 272.A O no hydrogen 3.465 N/A LEU 377.A N CYS 373.A O no hydrogen 3.031 N/A THR 378.A N PRO 374.A O no hydrogen 2.881 N/A THR 378.A OG1 PRO 374.A O no hydrogen 2.839 N/A ARG 379.A N ALA 375.A O no hydrogen 2.956 N/A ASN 380.A N GLU 376.A O no hydrogen 2.926 N/A ASN 380.A ND2 LYS 309.A O no hydrogen 2.605 N/A VAL 381.A N LEU 377.A O no hydrogen 2.841 N/A LEU 382.A N THR 378.A O no hydrogen 2.974 N/A GLU 383.A N ARG 379.A O no hydrogen 3.021 N/A LEU 384.A N ASN 380.A O no hydrogen 2.940 N/A ALA 385.A N VAL 381.A O no hydrogen 2.883 N/A GLN 386.A N LEU 382.A O no hydrogen 2.909 N/A GLN 387.A N GLU 383.A O no hydrogen 3.019 N/A GLN 388.A N LEU 384.A O no hydrogen 2.961 N/A GLY 389.A N GLN 386.A O no hydrogen 2.642 N/A LEU 390.A N ALA 385.A O no hydrogen 2.740 N/A GLN 391.A N VAL 256.A O no hydrogen 3.120 N/A TYR 393.A N LEU 258.A O no hydrogen 2.848 N/A GLN 395.A N ASP 262.A O no hydrogen 3.001 N/A GLN 399.A N ASN 411.A O no hydrogen 2.767 N/A ASN 400.A N ASN 411.A O no hydrogen 2.987 N/A SER 402.A N LEU 409.A O no hydrogen 2.927 N/A ARG 403.A NH2 ASP 405.A O no hydrogen 3.403 N/A LYS 404.A N CYS 407.A O no hydrogen 3.093 N/A TRP 408.A N HIS 420.A O no hydrogen 2.759 N/A TRP 408.A NE1 ASP 573.A O no hydrogen 2.739 N/A LEU 409.A N SER 402.A O no hydrogen 2.840 N/A LEU 410.A N ALA 418.A O no hydrogen 2.898 N/A ASN 411.A N ASN 400.A O no hydrogen 2.899 N/A ASN 411.A ND2 ASN 400.A O no hydrogen 3.566 N/A ASN 411.A ND2 ASN 400.A OD1 no hydrogen 2.856 N/A PHE 412.A N GLN 416.A O no hydrogen 2.879 N/A ALA 413.A N GLN 397.A O no hydrogen 2.851 N/A GLN 417.A NE2 ASN 411.A OD1 no hydrogen 3.175 N/A ALA 418.A N LEU 410.A O no hydrogen 2.979 N/A HIS 420.A N TRP 408.A O no hydrogen 3.040 N/A HIS 420.A ND1 GLU 232.A OE2 no hydrogen 2.848 N/A HIS 420.A NE2 TYR 259.A OH no hydrogen 2.786 N/A SER 421.A N GLU 232.A OE1 no hydrogen 3.110 N/A VAL 422.A N GLU 232.A O no hydrogen 3.182 N/A VAL 423.A N ASP 574.A O no hydrogen 3.079 N/A VAL 424.A N ALA 234.A O no hydrogen 2.714 N/A LEU 425.A N PHE 576.A O no hydrogen 2.824 N/A ALA 426.A N ILE 236.A O no hydrogen 2.738 N/A ASN 427.A N ASN 427.A OD1 no hydrogen 2.656 N/A ASN 427.A ND2 GLN 430.A O no hydrogen 3.154 N/A ILE 431.A N GLY 428.A O no hydrogen 2.951 N/A ARG 433.A N GLN 430.A O no hydrogen 3.064 N/A ARG 433.A NH2 GLU 492.A OE2 no hydrogen 2.903 N/A PHE 434.A N THR 437.A OG1 no hydrogen 3.386 N/A GLN 436.A N GLN 436.A OE1 no hydrogen 2.714 N/A GLN 436.A NE2 LEU 401.A O no hydrogen 3.328 N/A THR 437.A N PHE 434.A O no hydrogen 2.903 N/A THR 437.A OG1 ILE 431.A O no hydrogen 2.520 N/A THR 437.A OG1 PHE 434.A O no hydrogen 3.132 N/A LEU 440.A N THR 437.A O no hydrogen 3.105 N/A VAL 442.A N LEU 440.A O no hydrogen 2.640 N/A TYR 443.A N ALA 535.A O no hydrogen 2.855 N/A SER 444.A OG GLU 492.A OE1 no hydrogen 3.040 N/A VAL 445.A N ARG 533.A O no hydrogen 2.903 N/A ALA 446.A N HIS 488.A O no hydrogen 3.190 N/A GLY 447.A N GLY 531.A O no hydrogen 2.890 N/A GLN 448.A NE2 SER 497.A O no hydrogen 3.117 N/A GLN 448.A NE2 GLN 501.A OE1 no hydrogen 2.995 N/A VAL 449.A N ARG 529.A O no hydrogen 2.945 N/A SER 450.A N ILE 483.A O no hydrogen 2.822 N/A SER 450.A OG GLN 501.A OE1 no hydrogen 2.634 N/A HIS 451.A N GLU 527.A O no hydrogen 2.879 N/A ILE 452.A N HIS 481.A O no hydrogen 2.923 N/A THR 454.A N GLN 479.A O no hydrogen 3.167 N/A THR 454.A OG1 HIS 481.A NE2 no hydrogen 2.701 N/A THR 455.A OG1 GLU 520.A OE1 no hydrogen 2.745 N/A LEU 458.A N THR 455.A OG1 no hydrogen 3.135 N/A ALA 459.A N THR 455.A O no hydrogen 2.641 N/A GLU 460.A N GLU 457.A O no hydrogen 3.167 N/A LEU 461.A N LEU 458.A O no hydrogen 2.876 N/A LYS 462.A N THR 355.A O no hydrogen 2.694 N/A LYS 462.A NZ GLN 353.A O no hydrogen 2.643 N/A GLN 463.A NE2 CYS 315.A O no hydrogen 3.058 N/A LEU 465.A N LEU 471.A O no hydrogen 2.892 N/A CYS 466.A N THR 318.A O no hydrogen 2.797 N/A TYR 467.A N GLY 469.A O no hydrogen 3.022 N/A LEU 471.A N LEU 465.A O no hydrogen 3.063 N/A THR 472.A N CYS 482.A O no hydrogen 2.975 N/A THR 472.A OG1 PRO 473.A O no hydrogen 3.101 N/A THR 472.A OG1 CYS 482.A O no hydrogen 3.387 N/A ASN 475.A N HIS 480.A O no hydrogen 2.912 N/A ASN 475.A ND2 ASP 311.A OD2 no hydrogen 3.316 N/A ALA 477.A N ASN 475.A OD1 no hydrogen 3.114 N/A ASN 478.A N ASN 475.A O no hydrogen 2.969 N/A GLN 479.A N ASN 475.A O no hydrogen 2.945 N/A GLN 479.A NE2 PRO 476.A O no hydrogen 3.141 N/A HIS 480.A N ASN 478.A OD1 no hydrogen 3.090 N/A HIS 480.A ND1 ASN 478.A O no hydrogen 2.580 N/A HIS 481.A N ILE 452.A O no hydrogen 2.864 N/A HIS 481.A ND1 THR 472.A O no hydrogen 2.914 N/A HIS 481.A NE2 THR 454.A OG1 no hydrogen 2.701 N/A CYS 482.A N THR 472.A OG1 no hydrogen 3.131 N/A CYS 482.A SG GLN 274.A OE1 no hydrogen 4.045 N/A CYS 482.A SG HIS 451.A ND1 no hydrogen 3.835 N/A ILE 483.A N SER 450.A O no hydrogen 2.960 N/A GLY 484.A N TYR 470.A O no hydrogen 3.179 N/A SER 486.A OG ASP 500.A OD2 no hydrogen 2.637 N/A HIS 488.A N ALA 446.A O no hydrogen 2.966 N/A HIS 488.A NE2 ASP 500.A OD1 no hydrogen 3.174 N/A HIS 488.A NE2 ASP 500.A OD2 no hydrogen 2.919 N/A GLY 490.A N SER 444.A O no hydrogen 2.696 N/A SER 491.A N HIS 488.A O no hydrogen 3.268 N/A ASP 493.A N SER 491.A OG no hydrogen 3.332 N/A ALA 495.A N ASP 493.A OD1 no hydrogen 2.531 N/A TYR 496.A OH GLU 498.A OE1 no hydrogen 2.727 N/A SER 497.A N GLN 448.A OE1 no hydrogen 2.894 N/A ASP 500.A N SER 497.A OG no hydrogen 2.607 N/A GLN 501.A N SER 497.A O no hydrogen 3.057 N/A GLN 501.A NE2 VAL 523.A O no hydrogen 3.177 N/A GLN 501.A NE2 GLU 527.A O no hydrogen 3.199 N/A GLN 502.A N GLU 498.A O no hydrogen 2.926 N/A GLN 502.A NE2 GLU 498.A OE2 no hydrogen 3.072 N/A GLN 503.A N ASP 499.A O no hydrogen 2.859 N/A ASN 504.A N ASP 500.A O no hydrogen 2.891 N/A ASN 504.A N GLN 501.A O no hydrogen 3.318 N/A ASN 504.A ND2 GLN 448.A O no hydrogen 3.202 N/A ASN 504.A ND2 SER 450.A OG no hydrogen 2.688 N/A ARG 505.A NE VAL 521.A O no hydrogen 3.082 N/A ARG 505.A NH2 LYS 519.A O no hydrogen 3.325 N/A GLN 506.A N GLN 502.A O no hydrogen 2.944 N/A GLN 506.A NE2 ASP 510.A OD1 no hydrogen 2.885 N/A GLN 506.A NE2 ASP 510.A OD2 no hydrogen 3.435 N/A ARG 507.A N GLN 503.A O no hydrogen 2.924 N/A ARG 507.A NH2 ASN 504.A OD1 no hydrogen 3.239 N/A ILE 509.A N ARG 505.A O no hydrogen 2.984 N/A ASP 510.A N GLN 506.A O no hydrogen 2.822 N/A CYS 511.A N ARG 507.A O no hydrogen 2.961 N/A CYS 511.A N LEU 508.A O no hydrogen 2.878 N/A CYS 511.A SG ARG 507.A O no hydrogen 3.417 N/A PHE 512.A N LEU 508.A O no hydrogen 3.071 N/A GLN 514.A N GLN 514.A OE1 no hydrogen 2.731 N/A GLN 514.A NE2 THR 359.A O no hydrogen 3.535 N/A ALA 515.A N PHE 512.A O no hydrogen 3.037 N/A TRP 517.A NE1 ALA 358.A O no hydrogen 2.858 N/A LYS 519.A N GLN 516.A O no hydrogen 3.174 N/A GLU 520.A N TRP 517.A O no hydrogen 3.178 N/A VAL 521.A N ALA 518.A O no hydrogen 3.206 N/A SER 524.A N ASP 522.A OD1 no hydrogen 2.756 N/A SER 524.A OG ASP 522.A OD1 no hydrogen 2.994 N/A SER 524.A OG ASP 522.A OD2 no hydrogen 3.547 N/A LYS 526.A N VAL 523.A O no hydrogen 3.081 N/A ARG 529.A N VAL 449.A O no hydrogen 2.854 N/A ARG 529.A NH1 GLY 271.A O no hydrogen 3.108 N/A CYS 530.A SG GLN 448.A OE1 no hydrogen 3.454 N/A GLY 531.A N GLY 447.A O no hydrogen 2.971 N/A ARG 533.A N VAL 445.A O no hydrogen 2.877 N/A ARG 533.A NH1 SER 583.A OG no hydrogen 2.866 N/A CYS 534.A SG GLY 428.A O no hydrogen 3.886 N/A ALA 535.A N TYR 443.A O no hydrogen 2.823 N/A THR 536.A OG1 ARG 537.A O no hydrogen 2.828 N/A THR 536.A OG1 ASP 538.A OD1 no hydrogen 3.232 N/A THR 536.A OG1 LEU 540.A O no hydrogen 2.992 N/A LEU 540.A N ASP 538.A OD1 no hydrogen 3.088 N/A MET 542.A N ALA 579.A O no hydrogen 2.868 N/A VAL 543.A N LEU 615.A O no hydrogen 3.196 N/A GLY 544.A N MET 577.A O no hydrogen 2.955 N/A VAL 546.A N LEU 575.A O no hydrogen 3.000 N/A ASP 548.A N PRO 570.A O no hydrogen 3.177 N/A ALA 551.A N ASP 548.A OD1 no hydrogen 3.448 N/A THR 552.A N ASP 548.A O no hydrogen 2.890 N/A THR 552.A OG1 ASP 548.A O no hydrogen 2.712 N/A LEU 553.A N TYR 549.A O no hydrogen 2.933 N/A VAL 554.A N GLU 550.A O no hydrogen 2.885 N/A GLU 555.A N ALA 551.A O no hydrogen 2.876 N/A TYR 556.A OH VAL 567.A O no hydrogen 2.866 N/A ALA 557.A N VAL 554.A O no hydrogen 3.150 N/A GLN 562.A N LEU 559.A O no hydrogen 2.489 N/A SER 568.A OG ASN 224.A OD1 no hydrogen 2.983 N/A ALA 569.A N PRO 221.A O no hydrogen 3.132 N/A PHE 572.A N VAL 546.A O no hydrogen 3.185 N/A PHE 576.A N VAL 423.A O no hydrogen 2.873 N/A MET 577.A N GLY 544.A O no hydrogen 2.859 N/A PHE 578.A N LEU 425.A O no hydrogen 2.902 N/A ALA 579.A N MET 542.A O no hydrogen 2.963 N/A GLY 582.A N CYS 534.A O no hydrogen 3.078 N/A CYS 587.A N ARG 584.A O no hydrogen 2.898 N/A CYS 587.A SG TYR 278.A O no hydrogen 3.687 N/A SER 588.A N ARG 584.A O no hydrogen 3.377 N/A SER 588.A OG GLY 585.A O no hydrogen 3.460 N/A ALA 589.A N GLY 585.A O no hydrogen 2.863 N/A CYS 592.A N SER 588.A O no hydrogen 2.938 N/A CYS 592.A SG SER 588.A O no hydrogen 3.139 N/A ALA 593.A N ALA 589.A O no hydrogen 2.838 N/A GLU 594.A N PRO 590.A O no hydrogen 2.977 N/A ILE 595.A N LEU 591.A O no hydrogen 2.885 N/A LEU 596.A N CYS 592.A O no hydrogen 2.860 N/A ALA 597.A N ALA 593.A O no hydrogen 2.932 N/A ALA 598.A N GLU 594.A O no hydrogen 2.900 N/A GLN 599.A N ILE 595.A O no hydrogen 2.923 N/A GLN 599.A NE2 THR 226.A O no hydrogen 2.832 N/A MET 600.A N LEU 596.A O no hydrogen 2.886 N/A SER 601.A N ALA 597.A O no hydrogen 3.104 N/A SER 601.A OG ALA 597.A O no hydrogen 2.968 N/A ASP 602.A N GLN 599.A O no hydrogen 3.229 N/A GLU 603.A N ALA 598.A O no hydrogen 2.913 N/A MET 607.A N ILE 605.A O no hydrogen 2.881 N/A ALA 609.A N GLN 129.A O no hydrogen 2.893 N/A THR 611.A N ASP 608.A OD1 no hydrogen 2.986 N/A THR 611.A OG1 ASP 608.A OD1 no hydrogen 2.869 N/A THR 611.A OG1 ASP 608.A OD2 no hydrogen 3.493 N/A LEU 612.A N ASP 608.A O no hydrogen 3.015 N/A ALA 613.A N ALA 609.A O no hydrogen 2.915 N/A ALA 614.A N SER 610.A O no hydrogen 2.857 N/A LEU 615.A N LEU 612.A O no hydrogen 2.856 N/A ASN 616.A N ALA 613.A O no hydrogen 3.007 N/A ASN 618.A N ASN 616.A OD1 no hydrogen 3.422 N/A ASN 618.A ND2 TRP 222.A O no hydrogen 2.615 N/A ARG 619.A N ASN 616.A O no hydrogen 3.229 N/A ARG 619.A NE ASN 616.A O no hydrogen 2.896 N/A ARG 619.A NH1 ASP 538.A OD1 no hydrogen 3.022 N/A VAL 622.A N ASN 618.A O no hydrogen 2.983 N/A ARG 623.A N ARG 619.A O no hydrogen 2.917 N/A LYS 624.A N LEU 620.A O no hydrogen 2.900 N/A LEU 625.A N TRP 621.A O no hydrogen 2.912 N/A LEU 626.A N VAL 622.A O no hydrogen 2.908 N/A