Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wst_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N VAL 16.A O no hydrogen 2.877 N/A LYS 5.A N GLU 14.A O no hydrogen 2.830 N/A LYS 5.A NZ GLU 14.A OE1 no hydrogen 2.866 N/A ASN 7.A N GLU 12.A O no hydrogen 2.764 N/A ASN 7.A ND2 GLU 14.A OE1 no hydrogen 3.549 N/A ASN 7.A ND2 GLU 14.A OE2 no hydrogen 2.785 N/A ASN 7.A ND2 GLN 637.A OE1 no hydrogen 3.004 N/A GLN 8.A NE2 ILE 6.A O no hydrogen 2.839 N/A LYS 9.A N ASN 7.A OD1 no hydrogen 2.728 N/A THR 10.A N ASN 7.A OD1 no hydrogen 2.888 N/A GLY 11.A N ASN 7.A O no hydrogen 3.153 N/A GLU 14.A N LYS 5.A O no hydrogen 2.734 N/A ASP 21.A N ALA 18.A O no hydrogen 2.691 N/A TYR 22.A N GLU 19.A O no hydrogen 3.086 N/A ALA 25.A N ASP 21.A O no hydrogen 3.094 N/A GLN 26.A N TYR 22.A O no hydrogen 2.913 N/A GLU 27.A N ASP 23.A O no hydrogen 2.970 N/A LEU 28.A N MET 24.A O no hydrogen 3.012 N/A ALA 29.A N ALA 25.A O no hydrogen 2.567 N/A ARG 30.A N GLN 26.A O no hydrogen 3.076 N/A ARG 30.A N GLU 27.A O no hydrogen 2.857 N/A SER 31.A N LEU 28.A O no hydrogen 3.145 N/A ARG 32.A NE GLY 34.A O no hydrogen 2.863 N/A ARG 32.A NH1 SER 498.A O no hydrogen 2.913 N/A ARG 32.A NH2 GLY 34.A O no hydrogen 2.772 N/A ARG 32.A NH2 SER 498.A O no hydrogen 3.173 N/A PHE 33.A N ARG 30.A O no hydrogen 3.175 N/A MET 36.A N PHE 33.A O no hydrogen 2.846 N/A LEU 38.A N ASP 35.A O no hydrogen 2.639 N/A ASP 39.A N MET 36.A O no hydrogen 3.315 N/A ARG 42.A N ASP 39.A OD1 no hydrogen 3.028 N/A ARG 42.A NE MET 36.A O no hydrogen 3.067 N/A ARG 42.A NH1 GLU 137.A OE2 no hydrogen 2.665 N/A ASN 43.A N ASP 39.A O no hydrogen 3.055 N/A ASP 44.A N PHE 40.A O no hydrogen 2.837 N/A LYS 45.A N ASP 41.A O no hydrogen 2.973 N/A LYS 45.A NZ ASP 41.A OD1 no hydrogen 2.601 N/A LYS 45.A NZ ASP 41.A OD2 no hydrogen 3.516 N/A LYS 45.A NZ PHE 279.A O no hydrogen 2.966 N/A PHE 46.A N ARG 42.A O no hydrogen 2.916 N/A LEU 47.A N ASN 43.A O no hydrogen 3.004 N/A ALA 48.A N ASP 44.A O no hydrogen 3.045 N/A GLY 49.A N LYS 45.A O no hydrogen 3.074 N/A LEU 50.A N PHE 46.A O no hydrogen 2.751 N/A LYS 51.A N LEU 47.A O no hydrogen 2.798 N/A THR 52.A N ALA 48.A O no hydrogen 3.132 N/A THR 52.A OG1 ASP 273.A OD2 no hydrogen 3.098 N/A THR 53.A N GLY 49.A O no hydrogen 3.140 N/A THR 53.A OG1 GLY 49.A O no hydrogen 3.313 N/A THR 53.A OG1 LEU 50.A O no hydrogen 3.537 N/A ILE 54.A N LEU 50.A O no hydrogen 2.925 N/A ALA 55.A N LYS 51.A O no hydrogen 2.868 N/A GLU 56.A N THR 52.A O no hydrogen 2.867 N/A LYS 57.A N THR 53.A O no hydrogen 3.014 N/A LYS 57.A NZ GLU 60.A OE2 no hydrogen 2.736 N/A LYS 57.A NZ GLY 163.A O no hydrogen 3.354 N/A LYS 58.A N ILE 54.A O no hydrogen 2.902 N/A LYS 58.A NZ GLY 86.A O no hydrogen 3.323 N/A HIS 59.A N ALA 55.A O no hydrogen 3.039 N/A GLU 60.A N GLU 56.A O no hydrogen 3.055 N/A ASN 61.A N LYS 57.A O no hydrogen 3.232 N/A ASN 61.A ND2 LYS 65.A O no hydrogen 3.318 N/A LYS 65.A N ASP 63.A O no hydrogen 2.544 N/A VAL 66.A N ASP 88.A OD1 no hydrogen 2.954 N/A HIS 67.A N ASP 132.A OD2 no hydrogen 2.899 N/A VAL 68.A N LYS 89.A O no hydrogen 2.862 N/A LEU 69.A N ILE 133.A O no hydrogen 2.646 N/A ASP 70.A N THR 91.A O no hydrogen 2.882 N/A ILE 71.A N VAL 135.A O no hydrogen 2.904 N/A THR 73.A N LEU 93.A O no hydrogen 2.795 N/A THR 73.A OG1 ASP 70.A OD2 no hydrogen 2.649 N/A GLY 74.A N GLU 94.A OE2 no hydrogen 2.828 N/A GLY 76.A N THR 73.A O no hydrogen 2.802 N/A LEU 77.A N THR 75.A OG1 no hydrogen 3.261 N/A SER 79.A OG ASP 70.A OD2 no hydrogen 2.961 N/A LEU 80.A N GLY 76.A O no hydrogen 2.842 N/A MET 81.A N LEU 77.A O no hydrogen 2.889 N/A ALA 82.A N LEU 78.A O no hydrogen 3.039 N/A ALA 82.A N SER 79.A O no hydrogen 2.959 N/A ALA 83.A N SER 79.A O no hydrogen 2.906 N/A ARG 84.A N LEU 80.A O no hydrogen 3.204 N/A ARG 84.A NE GLU 85.A OE1 no hydrogen 2.900 N/A ARG 84.A NH1 ASN 504.A O no hydrogen 2.912 N/A ARG 84.A NH2 GLU 85.A OE1 no hydrogen 3.258 N/A GLY 86.A N ALA 83.A O no hydrogen 2.796 N/A ALA 87.A N ALA 82.A O no hydrogen 3.099 N/A LYS 89.A N VAL 66.A O no hydrogen 3.098 N/A VAL 90.A N LYS 115.A O no hydrogen 2.953 N/A THR 91.A N VAL 68.A O no hydrogen 3.084 N/A ALA 92.A N THR 117.A O no hydrogen 3.002 N/A LEU 93.A N ASP 70.A O no hydrogen 2.885 N/A GLU 94.A N ILE 119.A O no hydrogen 3.042 N/A PHE 96.A N GLU 94.A OE1 no hydrogen 3.093 N/A GLY 100.A N PHE 96.A O no hydrogen 2.882 N/A ASP 101.A N LYS 97.A O no hydrogen 2.888 N/A CYS 102.A N PRO 98.A O no hydrogen 3.058 N/A ALA 103.A N MET 99.A O no hydrogen 3.207 N/A ALA 103.A N GLY 100.A O no hydrogen 3.039 N/A ARG 104.A N GLY 100.A O no hydrogen 2.934 N/A ARG 104.A NE ASP 101.A OD1 no hydrogen 3.203 N/A ARG 104.A NH1 VAL 118.A O no hydrogen 3.080 N/A ARG 104.A NH2 VAL 118.A O no hydrogen 3.391 N/A HIS 105.A N ASP 101.A O no hydrogen 2.836 N/A ILE 106.A N CYS 102.A O no hydrogen 2.979 N/A THR 107.A N ALA 103.A O no hydrogen 3.044 N/A SER 108.A N ARG 104.A O no hydrogen 2.533 N/A SER 108.A OG ARG 104.A O no hydrogen 3.176 N/A ASN 109.A N HIS 105.A O no hydrogen 3.236 N/A SER 110.A N SER 108.A O no hydrogen 2.709 N/A TRP 112.A N SER 110.A OG no hydrogen 2.832 N/A SER 113.A N SER 110.A O no hydrogen 3.151 N/A SER 113.A OG SER 108.A O no hydrogen 3.275 N/A LYS 115.A N TRP 112.A O no hydrogen 3.070 N/A LYS 115.A NZ ASP 114.A OD2 no hydrogen 2.911 N/A THR 117.A N VAL 90.A O no hydrogen 2.990 N/A ILE 119.A N ALA 92.A O no hydrogen 2.877 N/A ARG 122.A NE THR 124.A OG1 no hydrogen 3.410 N/A THR 124.A OG1 ASP 125.A OD1 no hydrogen 3.530 N/A ASP 125.A N ARG 122.A O no hydrogen 3.038 N/A SER 129.A OG ARG 130.A O no hydrogen 2.734 N/A ARG 130.A NE ALA 160.A O no hydrogen 3.463 N/A ARG 130.A NH1 GLU 157.A O no hydrogen 2.710 N/A ARG 130.A NH1 ALA 160.A O no hydrogen 3.090 N/A ALA 131.A N LEU 159.A O no hydrogen 3.047 N/A ASP 132.A N HIS 67.A O no hydrogen 2.675 N/A ILE 133.A N HIS 67.A O no hydrogen 3.143 N/A ILE 134.A N ARG 165.A O no hydrogen 2.937 N/A VAL 135.A N LEU 69.A O no hydrogen 2.749 N/A ALA 136.A N VAL 167.A O no hydrogen 3.142 N/A PHE 139.A N GLU 137.A OE1 no hydrogen 3.021 N/A LEU 143.A N ASP 140.A O no hydrogen 2.747 N/A GLY 145.A N ASP 140.A OD1 no hydrogen 2.991 N/A GLY 147.A N ILE 144.A O no hydrogen 3.365 N/A ARG 150.A NE GLU 325.A OE2 no hydrogen 3.026 N/A ARG 150.A NH1 GLU 154.A OE1 no hydrogen 2.846 N/A ARG 150.A NH2 GLU 325.A OE1 no hydrogen 3.418 N/A THR 151.A N GLY 147.A O no hydrogen 2.946 N/A THR 151.A OG1 GLY 147.A O no hydrogen 3.072 N/A PHE 152.A N ALA 148.A O no hydrogen 2.934 N/A LYS 153.A N LEU 149.A O no hydrogen 2.825 N/A LYS 153.A NZ GLU 240.A O no hydrogen 3.200 N/A LYS 153.A NZ ILE 243.A O no hydrogen 3.287 N/A GLU 154.A N ARG 150.A O no hydrogen 2.802 N/A ALA 155.A N THR 151.A O no hydrogen 3.126 N/A LEU 156.A N PHE 152.A O no hydrogen 2.877 N/A GLU 157.A N LYS 153.A O no hydrogen 3.259 N/A ARG 158.A N GLU 154.A O no hydrogen 3.004 N/A ARG 158.A NH1 GLU 154.A OE2 no hydrogen 2.985 N/A ARG 158.A NH2 THR 124.A O no hydrogen 2.766 N/A ARG 158.A NH2 GLU 154.A OE2 no hydrogen 3.381 N/A LEU 159.A N ALA 155.A O no hydrogen 2.659 N/A LYS 161.A N ALA 131.A O no hydrogen 2.815 N/A LYS 161.A NZ ASP 132.A OD1 no hydrogen 2.952 N/A LYS 161.A NZ ASP 132.A OD2 no hydrogen 3.530 N/A CYS 164.A N LYS 161.A O no hydrogen 3.032 N/A CYS 164.A SG ALA 131.A O no hydrogen 3.802 N/A CYS 164.A SG ASP 132.A O no hydrogen 3.421 N/A CYS 164.A SG ARG 165.A O no hydrogen 3.428 N/A ARG 165.A N ASP 132.A O no hydrogen 3.077 N/A ARG 165.A NH1 GLU 238.A OE1 no hydrogen 2.909 N/A VAL 166.A N GLU 238.A OE2 no hydrogen 2.695 N/A VAL 167.A N ILE 134.A O no hydrogen 2.792 N/A SER 169.A N ASP 271.A O no hydrogen 2.969 N/A SER 169.A OG VAL 166.A O no hydrogen 2.667 N/A SER 169.A OG GLU 238.A OE2 no hydrogen 3.195 N/A THR 170.A OG1 SER 169.A O no hydrogen 3.141 N/A GLY 171.A N PHE 235.A O no hydrogen 3.033 N/A ASN 172.A N ASP 269.A O no hydrogen 3.114 N/A ASN 172.A N ASP 269.A OD1 no hydrogen 3.375 N/A VAL 173.A N PHE 233.A O no hydrogen 2.974 N/A TYR 174.A N TRP 267.A O no hydrogen 2.934 N/A TYR 174.A OH ASP 269.A OD2 no hydrogen 2.440 N/A ILE 175.A N ILE 230.A O no hydrogen 2.935 N/A VAL 176.A N LEU 265.A O no hydrogen 2.889 N/A VAL 178.A N ALA 263.A O no hydrogen 3.040 N/A GLU 179.A N ARG 224.A O no hydrogen 2.989 N/A SER 180.A N ASP 262.A OD2 no hydrogen 2.603 N/A SER 180.A OG GLU 222.A O no hydrogen 2.630 N/A HIS 181.A NE2 GLU 363.A OE1 no hydrogen 2.759 N/A LEU 183.A N SER 180.A OG no hydrogen 3.351 N/A LYS 184.A N SER 180.A O no hydrogen 3.171 N/A MET 185.A N HIS 181.A O no hydrogen 3.226 N/A MET 185.A N LEU 182.A O no hydrogen 2.736 N/A PHE 186.A N LEU 183.A O no hydrogen 2.956 N/A ASN 187.A N LYS 184.A O no hydrogen 2.845 N/A ASN 187.A ND2 SER 205.A O no hydrogen 3.584 N/A ASP 188.A N LYS 184.A O no hydrogen 2.788 N/A LEU 192.A N TYR 420.A OH no hydrogen 3.015 N/A ASN 193.A N GLU 198.A OE1 no hydrogen 3.031 N/A GLY 194.A N ARG 191.A O no hydrogen 3.209 N/A GLU 195.A N GLU 198.A OE2 no hydrogen 2.925 N/A GLU 198.A N GLU 195.A O no hydrogen 3.349 N/A GLU 199.A N TYR 419.A OH no hydrogen 3.098 N/A GLY 202.A N GLU 199.A O no hydrogen 2.997 N/A VAL 213.A N GLN 300.A O no hydrogen 2.934 N/A GLN 214.A N GLU 533.A OE1 no hydrogen 3.115 N/A GLN 214.A NE2 ARG 295.A O no hydrogen 2.973 N/A GLN 214.A NE2 ASP 296.A OD1 no hydrogen 3.261 N/A GLU 217.A N GLN 214.A O no hydrogen 3.022 N/A MET 218.A N LEU 215.A O no hydrogen 3.063 N/A GLU 222.A N LYS 219.A O no hydrogen 2.547 N/A PHE 223.A N THR 220.A O no hydrogen 3.483 N/A ARG 224.A N GLU 179.A O no hydrogen 2.720 N/A ARG 224.A NH1 GLU 179.A OE2 no hydrogen 2.924 N/A ARG 224.A NH2 GLU 179.A OE2 no hydrogen 3.379 N/A ARG 224.A NH2 SER 258.A O no hydrogen 2.649 N/A LEU 226.A N PRO 177.A O no hydrogen 2.950 N/A SER 227.A OG GLU 228.A O no hydrogen 2.582 N/A ILE 230.A N ILE 175.A O no hydrogen 2.758 N/A ALA 232.A N VAL 173.A O no hydrogen 2.785 N/A PHE 235.A N GLY 171.A O no hydrogen 2.673 N/A PHE 237.A N SER 169.A O no hydrogen 2.919 N/A GLU 238.A N ASP 236.A OD1 no hydrogen 2.925 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.835 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.469 N/A LYS 242.A N HIS 239.A O no hydrogen 2.822 N/A LYS 242.A NZ ASP 236.A OD2 no hydrogen 2.797 N/A ILE 243.A N GLU 240.A O no hydrogen 3.018 N/A GLU 247.A N HIS 323.A O no hydrogen 2.933 N/A SER 248.A OG ASN 322.A OD1 no hydrogen 2.698 N/A PHE 249.A N CYS 321.A O no hydrogen 2.899 N/A ARG 251.A N ILE 319.A O no hydrogen 2.857 N/A ARG 251.A NE ALA 232.A O no hydrogen 2.755 N/A ARG 251.A NH2 ALA 232.A O no hydrogen 2.602 N/A ALA 253.A N PHE 317.A O no hydrogen 2.987 N/A ALA 255.A N GLN 315.A O no hydrogen 3.207 N/A HIS 256.A N LEU 226.A O no hydrogen 2.843 N/A HIS 256.A NE2 GLU 225.A O no hydrogen 3.173 N/A GLY 259.A N VAL 311.A O no hydrogen 3.247 N/A THR 260.A N GLU 179.A OE1 no hydrogen 2.700 N/A ILE 261.A N LYS 309.A O no hydrogen 2.816 N/A ASP 262.A N VAL 178.A O no hydrogen 2.943 N/A ALA 263.A N VAL 178.A O no hydrogen 3.349 N/A LEU 264.A N TYR 303.A O no hydrogen 2.861 N/A LEU 265.A N VAL 176.A O no hydrogen 2.983 N/A MET 266.A N ALA 301.A O no hydrogen 2.881 N/A TRP 267.A N TYR 174.A O no hydrogen 3.280 N/A TRP 268.A NE1 ASP 140.A O no hydrogen 2.820 N/A ASP 269.A N ASN 172.A O no hydrogen 2.948 N/A ILE 270.A N ILE 280.A O no hydrogen 2.787 N/A ASP 271.A N THR 170.A O no hydrogen 2.647 N/A MET 272.A N THR 278.A O no hydrogen 2.956 N/A ASP 273.A N ASP 271.A OD1 no hydrogen 3.118 N/A ARG 274.A N ASP 271.A OD1 no hydrogen 2.801 N/A ARG 274.A NE GLU 238.A OE1 no hydrogen 2.720 N/A ARG 274.A NH1 ASP 236.A OD2 no hydrogen 3.262 N/A ARG 274.A NH2 ASP 236.A OD1 no hydrogen 2.593 N/A ARG 274.A NH2 ASP 236.A OD2 no hydrogen 3.056 N/A ARG 274.A NH2 GLU 238.A OE1 no hydrogen 3.174 N/A ASN 275.A N ASP 273.A OD1 no hydrogen 3.299 N/A GLY 276.A N ASP 271.A OD2 no hydrogen 2.876 N/A ILE 280.A N ILE 270.A O no hydrogen 3.041 N/A MET 282.A N TRP 268.A O no hydrogen 3.081 N/A GLY 283.A N ASP 281.A OD1 no hydrogen 2.766 N/A LYS 285.A N SER 216.A OG no hydrogen 2.894 N/A TRP 286.A NE1 LEU 215.A O no hydrogen 2.929 N/A LYS 287.A N PRO 284.A O no hydrogen 3.001 N/A LYS 287.A NZ GLU 225.A OE2 no hydrogen 2.020 N/A ASN 288.A ND2 ASP 281.A O no hydrogen 2.979 N/A ASN 288.A ND2 GLY 283.A O no hydrogen 2.776 N/A ASN 288.A ND2 ASN 291.A O no hydrogen 3.229 N/A LYS 289.A NZ LYS 285.A O no hydrogen 3.056 N/A ARG 295.A NH1 ASP 39.A OD1 no hydrogen 3.059 N/A ARG 295.A NH1 ASP 39.A OD2 no hydrogen 3.285 N/A ARG 295.A NH1 ASP 41.A OD2 no hydrogen 3.055 N/A ARG 295.A NH2 ASP 41.A OD2 no hydrogen 3.316 N/A ARG 295.A NH2 ASP 281.A O no hydrogen 3.525 N/A ASP 296.A N ASP 35.A OD1 no hydrogen 3.090 N/A ASP 296.A N ASP 35.A OD2 no hydrogen 2.934 N/A HIS 297.A N ASP 35.A OD1 no hydrogen 2.802 N/A HIS 297.A NE2 ASP 39.A OD2 no hydrogen 2.718 N/A TRP 298.A NE1 PHE 139.A O no hydrogen 2.736 N/A GLN 300.A N VAL 213.A O no hydrogen 3.219 N/A ALA 301.A N MET 266.A O no hydrogen 2.893 N/A VAL 302.A N PHE 211.A O no hydrogen 3.003 N/A TYR 303.A N LEU 264.A O no hydrogen 2.788 N/A TYR 303.A OH GLU 142.A OE2 no hydrogen 2.909 N/A TYR 304.A OH LEU 183.A O no hydrogen 2.869 N/A VAL 311.A N GLY 259.A O no hydrogen 3.096 N/A MET 313.A N SER 258.A OG no hydrogen 2.796 N/A ASN 314.A N ALA 255.A O no hydrogen 2.771 N/A GLN 315.A N GLU 312.A O no hydrogen 2.817 N/A PHE 317.A N ALA 253.A O no hydrogen 2.852 N/A ILE 319.A N ARG 251.A O no hydrogen 2.863 N/A VAL 320.A N SER 331.A O no hydrogen 2.662 N/A CYS 321.A N PHE 249.A O no hydrogen 2.878 N/A CYS 321.A SG ILE 319.A O no hydrogen 3.782 N/A ASN 322.A N TRP 329.A O no hydrogen 2.842 N/A ASN 322.A ND2 TRP 329.A O no hydrogen 3.328 N/A ASN 322.A ND2 SER 331.A OG no hydrogen 3.047 N/A HIS 323.A N GLU 247.A O no hydrogen 2.963 N/A HIS 323.A ND1 ASP 324.A O no hydrogen 2.633 N/A HIS 323.A NE2 GLU 247.A OE1 no hydrogen 2.451 N/A ASP 324.A N SER 327.A O no hydrogen 2.949 N/A PHE 326.A N ASP 324.A OD1 no hydrogen 2.950 N/A SER 327.A N ASP 324.A OD1 no hydrogen 2.829 N/A LEU 328.A N GLU 142.A OE2 no hydrogen 3.061 N/A TRP 329.A N ASN 322.A O no hydrogen 2.777 N/A TRP 329.A NE1 LYS 337.A O no hydrogen 3.132 N/A SER 331.A N VAL 320.A O no hydrogen 2.705 N/A SER 338.A N ASP 336.A OD1 no hydrogen 2.812 N/A ARG 339.A NH2 ALA 208.A O no hydrogen 3.075 N/A SER 340.A OG SER 205.A OG no hydrogen 3.282 N/A SER 340.A OG SER 338.A O no hydrogen 3.562 N/A SER 348.A OG GLY 345.A O no hydrogen 3.425 N/A MET 349.A N LEU 346.A O no hydrogen 3.094 N/A LEU 350.A N LEU 346.A O no hydrogen 3.074 N/A SER 351.A OG THR 354.A OG1 no hydrogen 3.096 N/A ARG 352.A NH1 ALA 209.A O no hydrogen 2.847 N/A ARG 352.A NH1 VAL 210.A O no hydrogen 3.408 N/A ARG 352.A NH2 VAL 210.A O no hydrogen 2.774 N/A GLN 353.A N GLN 353.A OE1 no hydrogen 3.009 N/A THR 354.A N SER 351.A OG no hydrogen 3.419 N/A THR 354.A OG1 SER 351.A OG no hydrogen 3.096 N/A VAL 355.A N SER 351.A O no hydrogen 2.985 N/A TYR 356.A N ARG 352.A O no hydrogen 2.869 N/A HIS 357.A N GLN 353.A O no hydrogen 2.803 N/A HIS 357.A NE2 GLU 444.A OE2 no hydrogen 2.523 N/A VAL 358.A N THR 354.A O no hydrogen 2.877 N/A ASN 359.A N VAL 355.A O no hydrogen 3.042 N/A GLU 360.A N TYR 356.A O no hydrogen 2.680 N/A MET 361.A N HIS 357.A O no hydrogen 3.061 N/A PHE 362.A N VAL 358.A O no hydrogen 3.047 N/A GLU 363.A N GLU 360.A O no hydrogen 3.135 N/A ASN 364.A N MET 361.A O no hydrogen 3.237 N/A PHE 367.A N ASN 364.A OD1 no hydrogen 2.618 N/A LYS 368.A N ASN 364.A O no hydrogen 2.652 N/A ASP 369.A N GLN 365.A O no hydrogen 2.690 N/A ASP 369.A N LYS 366.A O no hydrogen 3.196 N/A GLU 370.A N LYS 366.A O no hydrogen 3.388 N/A VAL 371.A N PHE 367.A O no hydrogen 3.230 N/A ASP 372.A N LYS 368.A O no hydrogen 3.103 N/A LYS 373.A N ASP 369.A O no hydrogen 2.830 N/A LEU 374.A N GLU 370.A O no hydrogen 2.771 N/A SER 375.A N ASP 372.A O no hydrogen 3.298 N/A SER 375.A OG VAL 371.A O no hydrogen 2.633 N/A LYS 376.A N ASP 372.A O no hydrogen 3.225 N/A GLY 377.A N THR 396.A O no hydrogen 3.009 N/A LEU 378.A N SER 375.A O no hydrogen 2.890 N/A HIS 379.A N ASP 439.A OD2 no hydrogen 3.064 N/A HIS 379.A NE2 THR 401.A OG1 no hydrogen 2.908 N/A VAL 380.A N ARG 399.A O no hydrogen 3.024 N/A ALA 381.A N ILE 440.A O no hydrogen 2.927 N/A THR 382.A N THR 401.A O no hydrogen 2.940 N/A THR 382.A OG1 LEU 442.A O no hydrogen 3.304 N/A GLU 385.A N PHE 446.A O no hydrogen 2.760 N/A GLY 386.A N ASP 404.A OD2 no hydrogen 2.608 N/A SER 387.A OG GLU 444.A OE1 no hydrogen 2.422 N/A LEU 391.A N PHE 388.A O no hydrogen 2.837 N/A ALA 393.A N LEU 389.A O no hydrogen 3.078 N/A LYS 395.A N LEU 392.A O no hydrogen 2.773 N/A THR 396.A N ALA 393.A O no hydrogen 3.340 N/A ALA 397.A N ALA 393.A O no hydrogen 3.135 N/A ARG 399.A N LEU 378.A O no hydrogen 3.431 N/A ARG 399.A NE GLU 426.A OE1 no hydrogen 3.008 N/A ARG 399.A NH1 ASP 436.A OD2 no hydrogen 3.101 N/A ARG 399.A NH2 GLU 426.A OE1 no hydrogen 2.584 N/A ARG 399.A NH2 GLU 426.A OE2 no hydrogen 3.531 N/A VAL 400.A N ASN 424.A O no hydrogen 2.843 N/A THR 401.A N VAL 380.A O no hydrogen 2.927 N/A THR 401.A OG1 HIS 379.A NE2 no hydrogen 2.908 N/A THR 401.A OG1 GLU 426.A OE1 no hydrogen 2.536 N/A ILE 402.A N GLU 426.A O no hydrogen 2.992 N/A ILE 403.A N THR 382.A O no hydrogen 3.220 N/A ASP 404.A N ILE 428.A O no hydrogen 3.009 N/A ASN 406.A N ASP 404.A OD1 no hydrogen 3.069 N/A ASN 406.A ND2 GLU 385.A OE2 no hydrogen 3.307 N/A PHE 409.A N ASN 406.A OD1 no hydrogen 3.285 N/A ARG 410.A N ASN 406.A O no hydrogen 3.100 N/A ARG 410.A NH1 ASP 404.A O no hydrogen 2.746 N/A ASP 411.A N GLU 407.A O no hydrogen 3.049 N/A ILE 412.A N ARG 408.A O no hydrogen 3.139 N/A PHE 413.A N PHE 409.A O no hydrogen 2.610 N/A PHE 414.A N ARG 410.A O no hydrogen 2.654 N/A LYS 415.A N ASP 411.A O no hydrogen 2.928 N/A TYR 416.A N ILE 412.A O no hydrogen 3.031 N/A TYR 416.A OH PRO 190.A O no hydrogen 2.618 N/A ILE 417.A N PHE 413.A O no hydrogen 2.883 N/A HIS 418.A N PHE 414.A O no hydrogen 2.907 N/A TYR 419.A N LYS 415.A O no hydrogen 2.791 N/A TYR 420.A N TYR 416.A O no hydrogen 3.067 N/A TYR 420.A OH GLU 198.A OE1 no hydrogen 2.669 N/A LYS 421.A N HIS 418.A O no hydrogen 3.072 N/A LYS 421.A NZ HIS 418.A O no hydrogen 2.777 N/A LEU 422.A N ILE 417.A O no hydrogen 2.906 N/A ASN 424.A ND2 ALA 394.A O no hydrogen 2.992 N/A ASN 424.A ND2 ALA 397.A O no hydrogen 2.898 N/A GLU 426.A N VAL 400.A O no hydrogen 3.033 N/A ILE 428.A N ILE 402.A O no hydrogen 2.950 N/A LYS 430.A NZ GLU 429.A OE2 no hydrogen 3.560 N/A SER 433.A N LYS 430.A O no hydrogen 3.076 N/A LEU 434.A N VAL 431.A O no hydrogen 3.153 N/A SER 437.A OG PRO 438.A O no hydrogen 3.499 N/A ASP 439.A N HIS 379.A O no hydrogen 2.870 N/A ILE 440.A N HIS 379.A O no hydrogen 3.292 N/A VAL 441.A N ARG 475.A O no hydrogen 2.886 N/A LEU 442.A N ALA 381.A O no hydrogen 2.801 N/A ALA 443.A N GLU 477.A O no hydrogen 2.837 N/A TYR 447.A OH ASP 462.A OD2 no hydrogen 2.547 N/A MET 448.A N GLU 385.A O no hydrogen 2.657 N/A SER 449.A OG GLU 385.A OE1 no hydrogen 2.921 N/A SER 449.A OG GLU 385.A OE2 no hydrogen 3.359 N/A ALA 450.A N TYR 447.A O no hydrogen 3.069 N/A ASN 455.A N ASN 452.A O no hydrogen 2.677 N/A ASN 455.A ND2 GLY 632.A O no hydrogen 3.108 N/A LEU 457.A N ASN 455.A OD1 no hydrogen 3.066 N/A ARG 458.A NH1 GLU 385.A OE1 no hydrogen 2.665 N/A PHE 459.A N HIS 456.A O no hydrogen 3.299 N/A LEU 460.A N LEU 457.A O no hydrogen 2.735 N/A TYR 461.A OH LYS 629.A O no hydrogen 2.671 N/A ASP 462.A N ARG 458.A O no hydrogen 2.935 N/A VAL 463.A N PHE 459.A O no hydrogen 2.779 N/A GLU 464.A N LEU 460.A O no hydrogen 3.144 N/A VAL 465.A N TYR 461.A O no hydrogen 2.992 N/A LEU 466.A N ASP 462.A O no hydrogen 3.153 N/A LYS 467.A N VAL 463.A O no hydrogen 2.825 N/A LYS 467.A NZ ILE 550.A O no hydrogen 2.999 N/A MET 468.A N GLU 464.A O no hydrogen 2.873 N/A MET 469.A N VAL 465.A O no hydrogen 3.072 N/A HIS 470.A N LEU 466.A O no hydrogen 2.757 N/A HIS 470.A NE2 LEU 434.A O no hydrogen 3.023 N/A GLY 471.A N LYS 467.A O no hydrogen 2.623 N/A LEU 474.A N GLY 471.A O no hydrogen 3.017 N/A ARG 475.A NH1 GLU 477.A OE1 no hydrogen 3.031 N/A GLU 477.A N VAL 441.A O no hydrogen 2.826 N/A HIS 479.A N GLU 579.A O no hydrogen 2.777 N/A GLY 481.A N PHE 548.A O no hydrogen 3.063 N/A VAL 482.A N GLU 577.A O no hydrogen 2.882 N/A LEU 483.A N LEU 546.A O no hydrogen 2.710 N/A LYS 484.A N TRP 575.A O no hydrogen 3.026 N/A ALA 485.A N VAL 543.A O no hydrogen 3.046 N/A ILE 486.A N PRO 573.A O no hydrogen 3.232 N/A GLU 488.A N ALA 571.A O no hydrogen 3.041 N/A LYS 489.A N ILE 537.A O no hydrogen 2.722 N/A PHE 490.A N ASN 570.A OD1 no hydrogen 2.654 N/A GLU 491.A N ALA 535.A O no hydrogen 2.806 N/A GLN 494.A NE2 PHE 490.A O no hydrogen 3.497 N/A ASN 495.A N ASP 492.A O no hydrogen 2.806 N/A ILE 496.A N LEU 493.A O no hydrogen 3.044 N/A ALA 497.A N GLN 494.A O no hydrogen 2.950 N/A VAL 500.A N ASP 512.A OD1 no hydrogen 2.847 N/A VAL 500.A N ASP 512.A OD2 no hydrogen 3.295 N/A GLY 501.A N ASP 512.A OD2 no hydrogen 2.761 N/A VAL 503.A N PHE 506.A O no hydrogen 2.754 N/A ASN 504.A ND2 ASN 43.A OD1 no hydrogen 3.570 N/A PHE 506.A N VAL 503.A O no hydrogen 2.683 N/A LEU 508.A N GLY 501.A O no hydrogen 2.966 N/A SER 509.A N ASP 507.A OD1 no hydrogen 2.829 N/A SER 509.A OG ASP 507.A OD1 no hydrogen 2.658 N/A PHE 511.A N LEU 508.A O no hydrogen 2.590 N/A ASP 512.A N LEU 508.A O no hydrogen 3.358 N/A GLU 513.A N SER 509.A O no hydrogen 3.152 N/A GLU 513.A N PHE 510.A O no hydrogen 3.059 N/A ILE 514.A N PHE 510.A O no hydrogen 3.238 N/A SER 515.A N PHE 511.A O no hydrogen 2.726 N/A THR 516.A N ASP 512.A O no hydrogen 2.767 N/A THR 516.A OG1 ASP 512.A O no hydrogen 2.356 N/A LYS 517.A N GLU 513.A O no hydrogen 2.939 N/A ALA 518.A N ILE 514.A O no hydrogen 2.774 N/A ARG 519.A N SER 515.A O no hydrogen 2.765 N/A ARG 519.A NE ASP 523.A OD2 no hydrogen 3.487 N/A ARG 519.A NH1 ALA 497.A O no hydrogen 3.232 N/A THR 520.A N THR 516.A O no hydrogen 2.816 N/A THR 520.A OG1 THR 516.A O no hydrogen 2.449 N/A ALA 521.A N LYS 517.A O no hydrogen 3.077 N/A THR 522.A N ALA 518.A O no hydrogen 2.938 N/A THR 522.A N ARG 519.A O no hydrogen 3.254 N/A THR 522.A OG1 ALA 518.A O no hydrogen 3.053 N/A ASP 523.A N ARG 519.A O no hydrogen 2.849 N/A ASP 527.A N VAL 608.A O no hydrogen 2.908 N/A GLU 528.A N ASP 527.A OD1 no hydrogen 2.814 N/A GLN 529.A N GLN 606.A O no hydrogen 3.050 N/A LEU 531.A N GLN 606.A OE1 no hydrogen 3.103 N/A GLU 533.A N SER 530.A O no hydrogen 2.869 N/A TYR 534.A N LEU 531.A O no hydrogen 3.156 N/A TYR 534.A OH ASP 296.A OD1 no hydrogen 2.625 N/A ILE 537.A N LYS 489.A O no hydrogen 2.830 N/A VAL 538.A N GLY 596.A O no hydrogen 2.968 N/A LYS 539.A N PRO 487.A O no hydrogen 2.936 N/A VAL 543.A N ALA 485.A O no hydrogen 2.962 N/A ILE 545.A N LEU 483.A O no hydrogen 2.752 N/A ARG 547.A NH1 GLU 544.A OE2 no hydrogen 2.591 N/A ARG 547.A NH2 GLU 544.A OE2 no hydrogen 3.436 N/A PHE 548.A N GLY 481.A O no hydrogen 2.796 N/A ILE 550.A N HIS 479.A O no hydrogen 3.135 N/A VAL 554.A N GLU 464.A OE1 no hydrogen 2.665 N/A SER 555.A OG ARG 553.A O no hydrogen 2.956 N/A GLN 557.A N PHE 627.A O no hydrogen 2.821 N/A CYS 559.A N ALA 625.A O no hydrogen 2.791 N/A CYS 559.A SG ILE 545.A O no hydrogen 3.267 N/A VAL 561.A N LEU 623.A O no hydrogen 2.878 N/A ILE 563.A N LEU 621.A O no hydrogen 2.688 N/A MET 566.A N LYS 619.A O no hydrogen 2.945 N/A SER 569.A N MET 566.A O no hydrogen 3.099 N/A SER 569.A OG ASN 565.A O no hydrogen 2.767 N/A ASN 570.A N GLU 488.A O no hydrogen 2.828 N/A ASN 570.A ND2 PHE 490.A O no hydrogen 3.120 N/A ALA 571.A N GLU 488.A O no hydrogen 3.107 N/A ILE 572.A N TYR 609.A O no hydrogen 2.933 N/A MET 574.A N GLY 607.A O no hydrogen 2.853 N/A TRP 575.A N LYS 484.A O no hydrogen 3.041 N/A TRP 575.A NE1 GLU 577.A OE1 no hydrogen 2.551 N/A MET 576.A N THR 587.A OG1 no hydrogen 3.223 N/A GLU 577.A N VAL 482.A O no hydrogen 2.964 N/A TRP 578.A N LEU 585.A O no hydrogen 2.768 N/A GLU 579.A N MET 480.A O no hydrogen 3.002 N/A PHE 580.A N ILE 583.A O no hydrogen 2.886 N/A GLY 582.A N GLU 370.A OE2 no hydrogen 2.492 N/A ILE 583.A N PHE 580.A O no hydrogen 2.954 N/A ASN 584.A ND2 GLU 577.A OE2 no hydrogen 3.140 N/A LEU 585.A N TRP 578.A O no hydrogen 3.024 N/A SER 586.A OG LEU 589.A O no hydrogen 2.652 N/A THR 587.A N MET 576.A O no hydrogen 2.859 N/A THR 587.A OG1 MET 576.A O no hydrogen 3.093 N/A GLY 588.A N SER 586.A OG no hydrogen 3.028 N/A LEU 590.A N GLU 599.A O no hydrogen 2.538 N/A SER 591.A OG GLU 599.A OE1 no hydrogen 2.918 N/A SER 593.A N VAL 597.A O no hydrogen 2.795 N/A ALA 595.A N SER 593.A OG no hydrogen 3.184 N/A GLY 596.A N SER 593.A O no hydrogen 2.999 N/A VAL 597.A N SER 593.A OG no hydrogen 2.837 N/A GLU 599.A N SER 591.A O no hydrogen 2.989 N/A ASN 601.A N GLY 588.A O no hydrogen 2.854 N/A ASN 601.A ND2 SER 586.A O no hydrogen 2.875 N/A GLY 603.A N ASN 601.A OD1 no hydrogen 2.709 N/A GLN 606.A N GLN 529.A O no hydrogen 2.878 N/A GLN 606.A NE2 THR 587.A O no hydrogen 3.048 N/A GLN 606.A NE2 ASN 601.A O no hydrogen 3.300 N/A GLN 606.A NE2 TYR 604.A O no hydrogen 2.976 N/A GLY 607.A N MET 574.A O no hydrogen 2.904 N/A VAL 608.A N ASP 527.A O no hydrogen 3.183 N/A TYR 609.A N ILE 572.A O no hydrogen 2.930 N/A ILE 612.A N TYR 609.A OH no hydrogen 2.784 N/A THR 613.A OG1 ASP 499.A OD2 no hydrogen 3.211 N/A LEU 615.A N ILE 612.A O no hydrogen 2.759 N/A ARG 616.A N THR 613.A O no hydrogen 2.850 N/A ASP 618.A N LEU 615.A O no hydrogen 3.178 N/A SER 620.A OG ASP 564.A OD1 no hydrogen 2.488 N/A LEU 621.A N ILE 563.A O no hydrogen 2.948 N/A CYS 622.A N GLY 639.A O no hydrogen 2.575 N/A CYS 622.A SG ASN 562.A OD1 no hydrogen 4.007 N/A CYS 622.A SG HIS 624.A NE2 no hydrogen 3.663 N/A LEU 623.A N VAL 561.A O no hydrogen 2.800 N/A HIS 624.A N GLN 637.A O no hydrogen 2.858 N/A ALA 625.A N CYS 559.A O no hydrogen 2.653 N/A PHE 627.A N GLN 557.A O no hydrogen 2.736 N/A ASP 628.A N ASP 633.A O no hydrogen 3.103 N/A LYS 629.A N SER 556.A OG no hydrogen 2.632 N/A SER 630.A N ASP 628.A OD1 no hydrogen 2.514 N/A THR 631.A N ASP 628.A O no hydrogen 3.244 N/A THR 631.A N ASP 628.A OD1 no hydrogen 3.122 N/A THR 631.A OG1 ASP 633.A OD2 no hydrogen 3.109 N/A GLY 632.A N ASP 628.A O no hydrogen 2.845 N/A ASP 633.A N THR 631.A OG1 no hydrogen 2.845 N/A ASN 635.A N LEU 626.A O no hydrogen 2.822 N/A GLN 637.A N HIS 624.A O no hydrogen 2.855 N/A GLY 639.A N CYS 622.A O no hydrogen 2.638 N/A LYS 640.A NZ THR 10.A O no hydrogen 3.093 N/A