Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wa1_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N GLY 1.A O no hydrogen 3.070 N/A LEU 6.A N THR 2.A O no hydrogen 2.925 N/A ARG 7.A N GLU 3.A O no hydrogen 2.886 N/A ARG 7.A NH2 GLU 3.A OE1 no hydrogen 3.206 N/A LEU 8.A N LYS 4.A O no hydrogen 2.906 N/A VAL 9.A N VAL 5.A O no hydrogen 3.396 N/A PHE 10.A N LEU 6.A O no hydrogen 2.952 N/A MET 11.A N ARG 7.A O no hydrogen 2.851 N/A GLU 12.A N LEU 8.A O no hydrogen 2.915 N/A LEU 14.A N PHE 10.A O no hydrogen 2.962 N/A MET 15.A N MET 11.A O no hydrogen 2.859 N/A GLU 16.A N GLU 12.A O no hydrogen 2.926 N/A ARG 17.A N GLU 13.A O no hydrogen 2.890 N/A ARG 17.A NH2 GLU 13.A OE1 no hydrogen 3.238 N/A ALA 18.A N LEU 14.A O no hydrogen 2.923 N/A ARG 19.A N MET 15.A O no hydrogen 2.872 N/A ASN 20.A N GLU 16.A O no hydrogen 2.964 N/A ALA 21.A N ALA 18.A O no hydrogen 3.194 N/A ASP 22.A N ARG 17.A O no hydrogen 2.896 N/A ASP 22.A N ASN 20.A OD1 no hydrogen 3.296 N/A SER 23.A OG SER 51.A OG no hydrogen 2.951 N/A VAL 26.A N ASP 22.A O no hydrogen 3.099 N/A SER 27.A N SER 23.A O no hydrogen 2.920 N/A SER 27.A OG SER 23.A O no hydrogen 3.415 N/A SER 27.A OG LYS 24.A O no hydrogen 2.603 N/A GLN 28.A N LYS 24.A O no hydrogen 2.901 N/A VAL 29.A N GLY 25.A O no hydrogen 2.881 N/A ILE 30.A N VAL 26.A O no hydrogen 2.900 N/A TYR 31.A N SER 27.A O no hydrogen 2.933 N/A ASP 32.A N GLN 28.A O no hydrogen 2.857 N/A MET 33.A N VAL 29.A O no hydrogen 2.895 N/A ILE 34.A N ILE 30.A O no hydrogen 2.932 N/A ALA 35.A N TYR 31.A O no hydrogen 2.881 N/A ALA 36.A N ASP 32.A O no hydrogen 2.886 N/A GLY 37.A N ILE 34.A O no hydrogen 3.399 N/A SER 44.A N GLY 41.A O no hydrogen 3.057 N/A PHE 45.A N GLY 41.A O no hydrogen 3.406 N/A GLY 47.A N SER 44.A O no hydrogen 3.077 N/A VAL 49.A N PHE 45.A O no hydrogen 2.886 N/A VAL 50.A N HIS 46.A O no hydrogen 2.925 N/A SER 51.A N GLY 47.A O no hydrogen 2.879 N/A SER 51.A OG SER 23.A OG no hydrogen 2.951 N/A HIS 52.A N PHE 48.A O no hydrogen 2.941 N/A VAL 53.A N VAL 49.A O no hydrogen 2.886 N/A LEU 54.A N VAL 50.A O no hydrogen 2.894 N/A ARG 56.A N VAL 53.A O no hydrogen 2.888 N/A ASP 57.A N HIS 52.A O no hydrogen 3.038 N/A GLY 60.A N ASP 57.A OD2 no hydrogen 2.955 N/A MET 62.A N ASN 58.A O no hydrogen 2.902 N/A HIS 63.A N ASP 59.A O no hydrogen 2.905 N/A ALA 64.A N GLY 60.A O no hydrogen 2.900 N/A LEU 65.A N ALA 61.A O no hydrogen 2.891 N/A ARG 66.A N MET 62.A O no hydrogen 2.906 N/A ARG 67.A N HIS 63.A O no hydrogen 2.894 N/A GLU 68.A N ALA 64.A O no hydrogen 2.915 N/A LEU 69.A N LEU 65.A O no hydrogen 2.889 N/A SER 70.A N ARG 66.A O no hydrogen 2.878 N/A SER 70.A OG ARG 66.A O no hydrogen 2.920 N/A GLU 71.A N ARG 67.A O no hydrogen 2.922 N/A GLY 72.A N LEU 69.A O no hydrogen 3.099 N/A ARG 74.A NH2 LEU 106.A O no hydrogen 3.381 N/A PHE 80.A N LEU 76.A O no hydrogen 3.397 N/A LEU 81.A N HIS 77.A O no hydrogen 2.895 N/A ALA 82.A N GLU 78.A O no hydrogen 2.888 N/A LEU 83.A N THR 79.A O no hydrogen 2.935 N/A VAL 84.A N PHE 80.A O no hydrogen 2.886 N/A ARG 85.A N LEU 81.A O no hydrogen 2.897 N/A LEU 86.A N ALA 82.A O no hydrogen 2.904 N/A PHE 87.A N LEU 83.A O no hydrogen 2.913 N/A GLY 88.A N VAL 84.A O no hydrogen 2.881 N/A ALA 89.A N ARG 85.A O no hydrogen 2.920 N/A LYS 90.A N LEU 86.A O no hydrogen 3.054 N/A GLY 91.A N PHE 87.A O no hydrogen 2.838 N/A LEU 92.A N PHE 87.A O no hydrogen 2.974 N/A GLY 96.A N LEU 92.A O no hydrogen 3.120 N/A LEU 97.A N ALA 93.A O no hydrogen 2.902 N/A GLU 98.A N THR 94.A O no hydrogen 2.909 N/A ILE 99.A N ARG 95.A O no hydrogen 2.899 N/A LEU 100.A N GLY 96.A O no hydrogen 2.884 N/A ALA 101.A N LEU 97.A O no hydrogen 2.890 N/A ALA 102.A N GLU 98.A O no hydrogen 2.904 N/A MET 103.A N ILE 99.A O no hydrogen 2.871 N/A GLU 104.A N LEU 100.A O no hydrogen 2.885 N/A LYS 105.A N ALA 101.A O no hydrogen 2.908 N/A LEU 106.A N ALA 102.A O no hydrogen 3.250 N/A LYS 107.A N GLU 104.A O no hydrogen 3.045 N/A TYR 108.A N MET 103.A O no hydrogen 2.916 N/A TRP 114.A N ILE 110.A O no hydrogen 3.052 N/A TRP 114.A NE1 VAL 133.A O no hydrogen 3.084 N/A LEU 115.A N ARG 111.A O no hydrogen 2.924 N/A VAL 116.A N GLN 112.A O no hydrogen 2.914 N/A LEU 117.A N ALA 113.A O no hydrogen 2.869 N/A VAL 118.A N TRP 114.A O no hydrogen 2.938 N/A GLU 119.A N LEU 115.A O no hydrogen 2.928 N/A GLU 120.A N VAL 116.A O no hydrogen 2.904 N/A LEU 121.A N LEU 117.A O no hydrogen 2.905 N/A VAL 122.A N VAL 118.A O no hydrogen 2.921 N/A ARG 123.A N GLU 119.A O no hydrogen 2.917 N/A SER 124.A N GLU 120.A O no hydrogen 2.708 N/A SER 124.A OG ALA 89.A O no hydrogen 2.899 N/A SER 124.A OG SER 124.A O no hydrogen 2.604 N/A ASN 125.A N VAL 122.A O no hydrogen 3.221 N/A HIS 126.A N LEU 121.A O no hydrogen 2.911 N/A ALA 130.A N HIS 126.A O no hydrogen 3.140 N/A ASN 131.A N LEU 127.A O no hydrogen 2.889 N/A ASN 131.A ND2 ASP 156.A OD1 no hydrogen 3.375 N/A LYS 132.A N GLU 128.A O no hydrogen 2.934 N/A LYS 132.A NZ ASP 129.A OD1 no hydrogen 2.696 N/A VAL 133.A N ASP 129.A O no hydrogen 2.918 N/A PHE 134.A N ALA 130.A O no hydrogen 2.880 N/A LEU 135.A N ASN 131.A O no hydrogen 2.901 N/A LYS 136.A N LYS 132.A O no hydrogen 2.909 N/A GLY 137.A N VAL 133.A O no hydrogen 2.916 N/A ALA 138.A N PHE 134.A O no hydrogen 2.883 N/A GLU 139.A N LEU 135.A O no hydrogen 2.903 N/A GLY 140.A N LYS 136.A O no hydrogen 2.910 N/A GLY 141.A N GLY 137.A O no hydrogen 3.196 N/A GLY 141.A N ALA 138.A O no hydrogen 3.216 N/A LEU 142.A N GLY 137.A O no hydrogen 3.153 N/A TYR 149.A N THR 145.A O no hydrogen 3.134 N/A ASP 150.A N ASP 146.A O no hydrogen 2.916 N/A LEU 151.A N GLU 147.A O no hydrogen 2.886 N/A LEU 152.A N ILE 148.A O no hydrogen 2.912 N/A ILE 153.A N TYR 149.A O no hydrogen 2.936 N/A GLU 154.A N ASP 150.A O no hydrogen 2.889 N/A GLN 155.A N LEU 151.A O no hydrogen 2.918 N/A ASP 156.A N LEU 152.A O no hydrogen 2.916 N/A CYS 157.A N ILE 153.A O no hydrogen 2.917 N/A CYS 157.A SG ILE 153.A O no hydrogen 3.148 N/A CYS 157.A SG CYS 186.A O no hydrogen 3.198 N/A LYS 158.A N GLU 154.A O no hydrogen 2.892 N/A VAL 159.A N GLN 155.A O no hydrogen 2.917 N/A GLY 160.A N ASP 156.A O no hydrogen 2.956 N/A ASP 161.A N ASP 156.A O no hydrogen 2.827 N/A SER 163.A OG ASP 161.A OD1 no hydrogen 2.758 N/A LEU 166.A N HIS 162.A O no hydrogen 2.894 N/A THR 167.A N SER 163.A O no hydrogen 2.920 N/A THR 167.A OG1 SER 163.A O no hydrogen 2.821 N/A ILE 168.A N ASN 164.A O no hydrogen 2.884 N/A ALA 169.A N ALA 165.A O no hydrogen 2.911 N/A TYR 170.A N LEU 166.A O no hydrogen 2.895 N/A GLU 171.A N THR 167.A O no hydrogen 2.916 N/A MET 172.A N ILE 168.A O no hydrogen 2.870 N/A GLU 173.A N ALA 169.A O no hydrogen 2.927 N/A ALA 174.A N TYR 170.A O no hydrogen 2.888 N/A ALA 175.A N GLU 171.A O no hydrogen 2.899 N/A GLY 176.A N GLU 173.A O no hydrogen 3.337 N/A ARG 177.A N MET 172.A O no hydrogen 3.254 N/A ARG 177.A NH1 ASP 146.A O no hydrogen 3.303 N/A ARG 177.A NH1 ASP 150.A OD1 no hydrogen 3.026 N/A ARG 177.A NH2 ASP 150.A OD1 no hydrogen 3.141 N/A THR 181.A OG1 ASN 185.A OD1 no hydrogen 3.404 N/A HIS 183.A NE2 ASP 150.A OD1 no hydrogen 2.946 N/A PHE 184.A N THR 180.A O no hydrogen 3.380 N/A ASN 185.A N THR 181.A O no hydrogen 2.889 N/A CYS 186.A N PHE 182.A O no hydrogen 2.918 N/A CYS 186.A SG PHE 182.A O no hydrogen 3.172 N/A LEU 187.A N HIS 183.A O no hydrogen 2.915 N/A LEU 188.A N PHE 184.A O no hydrogen 2.877 N/A SER 189.A N ASN 185.A O no hydrogen 2.913 N/A VAL 190.A N LEU 187.A O no hydrogen 3.104 N/A GLN 191.A N LEU 187.A O no hydrogen 2.904 N/A GLN 191.A NE2 HIS 162.A NE2 no hydrogen 3.027 N/A ALA 192.A N LEU 188.A O no hydrogen 2.889 N/A THR 193.A OG1 VAL 190.A O no hydrogen 3.000 N/A ALA 202.A N GLU 198.A O no hydrogen 3.347 N/A THR 203.A OG1 GLN 191.A OE1 no hydrogen 2.946 N/A THR 203.A OG1 ILE 199.A O no hydrogen 3.533 N/A PHE 204.A N ALA 200.A O no hydrogen 2.906 N/A GLU 205.A N PHE 201.A O no hydrogen 2.886 N/A ASN 206.A N ALA 202.A O no hydrogen 2.912 N/A MET 207.A N THR 203.A O no hydrogen 2.913 N/A GLU 208.A N PHE 204.A O no hydrogen 2.879 N/A TYR 209.A N GLU 205.A O no hydrogen 3.222 N/A GLY 210.A N MET 207.A O no hydrogen 3.383 N/A LYS 215.A N ASP 212.A O no hydrogen 3.248 N/A LYS 215.A NZ ASP 212.A OD1 no hydrogen 2.713 N/A THR 218.A N ASP 217.A OD1 no hydrogen 2.752 N/A THR 218.A OG1 GLN 255.A O no hydrogen 3.025 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.736 N/A THR 220.A OG1 ASN 185.A OD1 no hydrogen 2.481 N/A TYR 221.A N ASP 217.A O no hydrogen 3.185 N/A ASN 222.A N THR 218.A O no hydrogen 2.919 N/A ASN 222.A ND2 ASN 257.A OD1 no hydrogen 2.658 N/A TRP 223.A N GLU 219.A O no hydrogen 2.868 N/A VAL 224.A N THR 220.A O no hydrogen 2.969 N/A ILE 225.A N TYR 221.A O no hydrogen 2.883 N/A GLN 226.A N ASN 222.A O no hydrogen 2.890 N/A ALA 227.A N TRP 223.A O no hydrogen 2.899 N/A TYR 228.A N VAL 224.A O no hydrogen 2.923 N/A THR 229.A N ILE 225.A O no hydrogen 2.868 N/A THR 229.A OG1 ILE 225.A O no hydrogen 2.614 N/A ARG 230.A N GLN 226.A O no hydrogen 3.231 N/A ALA 241.A N VAL 237.A O no hydrogen 3.338 N/A GLU 242.A N GLN 238.A O no hydrogen 2.896 N/A LEU 243.A N ASP 239.A O no hydrogen 2.889 N/A LEU 244.A N VAL 240.A O no hydrogen 2.867 N/A GLY 245.A N ALA 241.A O no hydrogen 2.915 N/A MET 246.A N GLU 242.A O no hydrogen 2.895 N/A MET 247.A N LEU 243.A O no hydrogen 2.881 N/A VAL 248.A N GLY 245.A O no hydrogen 3.181 N/A GLU 249.A N MET 247.A O no hydrogen 3.033 N/A LYS 252.A NZ PRO 216.A O no hydrogen 3.285 N/A GLN 255.A NE2 ASP 250.A O no hydrogen 3.373 N/A GLN 255.A NE2 ALA 519.A O no hydrogen 3.616 N/A THR 260.A N ASN 257.A OD1 no hydrogen 2.935 N/A THR 260.A OG1 ASN 222.A OD1 no hydrogen 2.422 N/A THR 260.A OG1 ASN 257.A OD1 no hydrogen 2.644 N/A TYR 261.A N ASN 257.A O no hydrogen 3.258 N/A ALA 262.A N VAL 258.A O no hydrogen 2.931 N/A LEU 263.A N ARG 259.A O no hydrogen 2.886 N/A LEU 264.A N THR 260.A O no hydrogen 2.924 N/A VAL 265.A N TYR 261.A O no hydrogen 2.894 N/A GLU 266.A N ALA 262.A O no hydrogen 2.926 N/A CYS 267.A N LEU 263.A O no hydrogen 2.889 N/A PHE 268.A N LEU 264.A O no hydrogen 2.922 N/A THR 269.A N VAL 265.A O no hydrogen 2.880 N/A THR 269.A OG1 VAL 265.A O no hydrogen 2.760 N/A LYS 270.A N GLU 266.A O no hydrogen 2.933 N/A LYS 270.A NZ GLU 266.A OE2 no hydrogen 3.185 N/A TYR 271.A N CYS 267.A O no hydrogen 3.240 N/A TYR 271.A OH ASP 235.A O no hydrogen 2.287 N/A CYS 272.A N THR 269.A O no hydrogen 3.068 N/A CYS 272.A SG SER 404.A O no hydrogen 3.500 N/A VAL 273.A N PHE 268.A O no hydrogen 2.616 N/A ARG 275.A NH2 CYS 272.A O no hydrogen 3.260 N/A ALA 277.A N VAL 273.A O no hydrogen 3.365 N/A ILE 278.A N VAL 274.A O no hydrogen 2.892 N/A ARG 279.A N ARG 275.A O no hydrogen 2.920 N/A HIS 280.A N GLU 276.A O no hydrogen 2.922 N/A HIS 280.A ND1 GLU 276.A O no hydrogen 2.673 N/A PHE 281.A N ALA 277.A O no hydrogen 2.866 N/A ARG 282.A N ILE 278.A O no hydrogen 2.917 N/A LEU 284.A N HIS 280.A O no hydrogen 2.899 N/A LYS 285.A N PHE 281.A O no hydrogen 2.901 N/A ASN 286.A N GLY 283.A O no hydrogen 3.238 N/A PHE 287.A N LEU 284.A O no hydrogen 3.240 N/A THR 291.A OG1 ASP 330.A OD2 no hydrogen 3.147 N/A GLN 292.A NE2 ASP 330.A O no hydrogen 2.788 N/A VAL 293.A N GLY 289.A O no hydrogen 3.026 N/A LEU 294.A N GLY 290.A O no hydrogen 2.894 N/A TYR 295.A N THR 291.A O no hydrogen 3.015 N/A ASP 297.A N TYR 295.A O no hydrogen 2.625 N/A LYS 299.A N ASN 296.A O no hydrogen 3.244 N/A LEU 306.A N ASP 302.A O no hydrogen 2.895 N/A TYR 307.A N PRO 303.A O no hydrogen 2.869 N/A LEU 308.A N LEU 304.A O no hydrogen 2.923 N/A ARG 309.A N SER 305.A O no hydrogen 2.878 N/A ARG 309.A NE ARG 337.A O no hydrogen 3.066 N/A ARG 309.A NH1 ARG 337.A O no hydrogen 3.001 N/A ALA 310.A N LEU 306.A O no hydrogen 2.879 N/A LEU 311.A N TYR 307.A O no hydrogen 2.934 N/A CYS 312.A N LEU 308.A O no hydrogen 2.896 N/A CYS 312.A SG LEU 348.A O no hydrogen 3.962 N/A CYS 312.A SG SER 351.A OG no hydrogen 2.606 N/A ARG 313.A N ARG 309.A O no hydrogen 2.890 N/A ARG 313.A NE PRO 406.A O no hydrogen 3.360 N/A GLU 314.A N ALA 310.A O no hydrogen 3.431 N/A GLY 315.A N LEU 311.A O no hydrogen 3.341 N/A ARG 316.A NE GLU 319.A OE2 no hydrogen 3.129 N/A ARG 316.A NH1 GLU 314.A OE1 no hydrogen 3.374 N/A ILE 317.A N GLY 315.A O no hydrogen 2.813 N/A LEU 320.A N ARG 316.A O no hydrogen 3.263 N/A LEU 321.A N ILE 317.A O no hydrogen 2.864 N/A GLU 322.A N VAL 318.A O no hydrogen 2.936 N/A ALA 323.A N GLU 319.A O no hydrogen 2.890 N/A LEU 324.A N LEU 320.A O no hydrogen 2.900 N/A GLU 325.A N LEU 321.A O no hydrogen 2.886 N/A ALA 326.A N GLU 322.A O no hydrogen 2.917 N/A MET 327.A N ALA 323.A O no hydrogen 2.889 N/A ALA 328.A N LEU 324.A O no hydrogen 2.897 N/A LYS 329.A N GLU 325.A O no hydrogen 2.893 N/A ASP 330.A N ALA 326.A O no hydrogen 2.912 N/A ASN 331.A N ALA 328.A O no hydrogen 3.335 N/A GLN 332.A N MET 327.A O no hydrogen 2.834 N/A GLN 332.A NE2 PRO 333.A O no hydrogen 3.301 N/A ILE 334.A N LEU 555.A O no hydrogen 3.479 N/A ARG 337.A NH2 SER 305.A OG no hydrogen 3.103 N/A MET 339.A N ARG 337.A O no hydrogen 2.769 N/A ARG 346.A N ARG 343.A O no hydrogen 3.215 N/A ARG 346.A NH2 MET 339.A O no hydrogen 2.485 N/A THR 347.A OG1 TYR 345.A O no hydrogen 3.380 N/A THR 347.A OG1 THR 560.A OG1 no hydrogen 3.302 N/A SER 350.A OG ASP 563.A O no hydrogen 3.559 N/A SER 350.A OG ASP 563.A OD2 no hydrogen 2.778 N/A SER 351.A N THR 347.A O no hydrogen 3.108 N/A SER 351.A OG THR 347.A O no hydrogen 3.040 N/A ARG 371.A N ASP 367.A O no hydrogen 2.979 N/A ARG 371.A NH1 GLU 359.A OE2 no hydrogen 2.667 N/A ARG 371.A NH2 GLU 359.A OE1 no hydrogen 3.504 N/A TYR 372.A N TYR 368.A O no hydrogen 2.872 N/A VAL 373.A N ILE 369.A O no hydrogen 3.035 N/A ALA 374.A N ALA 370.A O no hydrogen 2.880 N/A GLU 375.A N ARG 371.A O no hydrogen 2.899 N/A GLY 376.A N TYR 372.A O no hydrogen 3.246 N/A ARG 382.A NE GLU 375.A OE2 no hydrogen 2.820 N/A ARG 382.A NH1 GLU 375.A OE2 no hydrogen 3.129 N/A LYS 383.A NZ ARG 384.A O no hydrogen 3.312 N/A LYS 383.A NZ LEU 394.A O no hydrogen 3.036 N/A VAL 386.A N ARG 384.A O no hydrogen 2.872 N/A THR 392.A N GLY 390.A O no hydrogen 2.863 N/A ASP 397.A N ASP 395.A OD2 no hydrogen 3.134 N/A PHE 401.A N ALA 398.A O no hydrogen 3.304 N/A ILE 402.A N LYS 270.A O no hydrogen 3.166 N/A THR 409.A N ARG 313.A O no hydrogen 2.913 N/A PHE 411.A N TRP 352.A O no hydrogen 3.266 N/A GLN 413.A N SER 410.A OG no hydrogen 3.317 N/A ARG 414.A N SER 410.A O no hydrogen 2.989 N/A ARG 414.A NE GLU 314.A O no hydrogen 3.410 N/A CYS 415.A N PHE 411.A O no hydrogen 2.909 N/A CYS 415.A SG PHE 411.A O no hydrogen 3.190 N/A LEU 416.A N LYS 412.A O no hydrogen 2.924 N/A GLU 417.A N GLN 413.A O no hydrogen 2.888 N/A GLU 418.A N ARG 414.A O no hydrogen 2.913 N/A TRP 419.A N CYS 415.A O no hydrogen 2.928 N/A ARG 420.A N LEU 416.A O no hydrogen 2.903 N/A LEU 421.A N GLU 417.A O no hydrogen 2.893 N/A HIS 422.A N GLU 418.A O no hydrogen 2.890 N/A HIS 423.A N TRP 419.A O no hydrogen 2.963 N/A ARG 424.A N ARG 420.A O no hydrogen 2.835 N/A LYS 425.A N LEU 421.A O no hydrogen 2.910 N/A LEU 426.A N HIS 422.A O no hydrogen 2.939 N/A LEU 427.A N HIS 423.A O no hydrogen 2.911 N/A LYS 428.A N ARG 424.A O no hydrogen 2.869 N/A THR 429.A N LYS 425.A O no hydrogen 2.895 N/A THR 429.A OG1 LYS 425.A O no hydrogen 3.144 N/A THR 429.A OG1 LEU 426.A O no hydrogen 2.470 N/A LEU 430.A N LEU 426.A O no hydrogen 2.930 N/A HIS 431.A N LEU 427.A O no hydrogen 2.880 N/A ASN 432.A N LYS 428.A O no hydrogen 2.914 N/A LYS 440.A NZ LEU 438.A O no hydrogen 3.428 N/A SER 444.A OG ASP 445.A OD1 no hydrogen 3.320 N/A TYR 446.A N SER 442.A O no hydrogen 2.907 N/A ARG 448.A N SER 444.A O no hydrogen 2.943 N/A LEU 449.A N ASP 445.A O no hydrogen 2.839 N/A VAL 450.A N TYR 446.A O no hydrogen 2.918 N/A GLU 451.A N ILE 447.A O no hydrogen 2.954 N/A ARG 452.A N ARG 448.A O no hydrogen 2.913 N/A LEU 453.A N LEU 449.A O no hydrogen 2.867 N/A ARG 454.A N VAL 450.A O no hydrogen 2.921 N/A ARG 454.A NE VAL 450.A O no hydrogen 3.337 N/A LYS 455.A N GLU 451.A O no hydrogen 2.921 N/A ILE 456.A N ARG 452.A O no hydrogen 2.882 N/A ILE 457.A N LEU 453.A O no hydrogen 2.915 N/A LEU 463.A N LEU 460.A O no hydrogen 3.135 N/A SER 465.A N ASP 461.A O no hydrogen 2.908 N/A ARG 466.A N GLU 462.A O no hydrogen 2.889 N/A ARG 466.A N LEU 463.A O no hydrogen 3.262 N/A TRP 477.A N ASN 473.A O no hydrogen 3.245 N/A LYS 478.A N THR 474.A O no hydrogen 2.891 N/A ARG 479.A N GLU 475.A O no hydrogen 2.904 N/A ARG 480.A N PHE 476.A O no hydrogen 2.908 N/A PHE 481.A N TRP 477.A O no hydrogen 2.890 N/A LEU 482.A N LYS 478.A O no hydrogen 2.896 N/A GLY 483.A N ARG 480.A O no hydrogen 3.240 N/A GLU 484.A N ARG 479.A O no hydrogen 3.075 N/A ALA 498.A N ASP 494.A O no hydrogen 2.917 N/A PHE 499.A N ILE 495.A O no hydrogen 2.900 N/A VAL 500.A N GLN 496.A O no hydrogen 2.920 N/A GLU 501.A N GLU 497.A O no hydrogen 2.899 N/A MET 502.A N ALA 498.A O no hydrogen 2.902 N/A ARG 503.A N PHE 499.A O no hydrogen 2.919 N/A ARG 503.A NE PHE 499.A O no hydrogen 3.419 N/A ARG 503.A NH1 LEU 482.A O no hydrogen 3.410 N/A LYS 504.A N VAL 500.A O no hydrogen 2.882 N/A ARG 505.A N GLU 501.A O no hydrogen 2.899 N/A ILE 507.A N MET 502.A O no hydrogen 2.945 N/A VAL 510.A N ASP 509.A OD1 no hydrogen 2.619 N/A ASP 512.A N ASP 509.A O no hydrogen 3.208 N/A MET 513.A N VAL 510.A O no hydrogen 3.180 N/A THR 515.A N ASP 518.A OD2 no hydrogen 2.919 N/A THR 515.A OG1 ASP 518.A OD2 no hydrogen 3.156 N/A ALA 519.A N THR 515.A O no hydrogen 2.882 N/A TRP 520.A N ILE 516.A O no hydrogen 2.884 N/A GLY 521.A N ASP 518.A O no hydrogen 3.160 N/A TRP 522.A N THR 517.A O no hydrogen 2.999 N/A LYS 526.A N THR 523.A O no hydrogen 3.321 N/A LYS 529.A N GLU 525.A O no hydrogen 3.286 N/A LYS 529.A NZ GLU 471.A O no hydrogen 2.552 N/A LYS 531.A N ILE 528.A O no hydrogen 3.395 N/A LYS 531.A NZ ALA 532.A O no hydrogen 3.065 N/A GLU 541.A N SER 537.A O no hydrogen 2.880 N/A VAL 542.A N GLN 538.A O no hydrogen 2.913 N/A GLU 543.A N GLU 539.A O no hydrogen 2.954 N/A LEU 544.A N TRP 540.A O no hydrogen 2.900 N/A GLY 545.A N GLU 541.A O no hydrogen 2.884 N/A ILE 546.A N VAL 542.A O no hydrogen 2.921 N/A LYS 547.A N GLU 543.A O no hydrogen 2.953 N/A VAL 548.A N LEU 544.A O no hydrogen 2.870 N/A MET 549.A N GLY 545.A O no hydrogen 2.907 N/A THR 550.A N ILE 546.A O no hydrogen 2.904 N/A THR 550.A OG1 ILE 546.A O no hydrogen 2.907 N/A LYS 551.A N LYS 547.A O no hydrogen 2.929 N/A VAL 552.A N VAL 548.A O no hydrogen 2.867 N/A ILE 553.A N MET 549.A O no hydrogen 2.924 N/A GLU 554.A N THR 550.A O no hydrogen 2.907 N/A LEU 555.A N LYS 551.A O no hydrogen 2.895 N/A GLY 556.A N ILE 553.A O no hydrogen 3.332 N/A GLY 557.A N VAL 552.A O no hydrogen 2.737 N/A THR 558.A OG1 PRO 559.A O no hydrogen 3.530 N/A THR 560.A OG1 LYS 344.A O no hydrogen 3.267 N/A THR 560.A OG1 TYR 345.A O no hydrogen 3.093 N/A THR 560.A OG1 THR 347.A OG1 no hydrogen 3.302 N/A CYS 564.A N THR 560.A O no hydrogen 3.460 N/A CYS 564.A SG THR 560.A O no hydrogen 3.344 N/A CYS 564.A SG ASP 563.A OD1 no hydrogen 3.256 N/A ALA 565.A N ILE 561.A O no hydrogen 2.926 N/A VAL 566.A N GLY 562.A O no hydrogen 2.881 N/A ILE 567.A N ASP 563.A O no hydrogen 2.907 N/A LEU 568.A N CYS 564.A O no hydrogen 2.935 N/A ARG 569.A N ALA 565.A O no hydrogen 2.890 N/A ALA 570.A N VAL 566.A O no hydrogen 2.894 N/A ALA 571.A N ILE 567.A O no hydrogen 2.886 N/A VAL 572.A N LEU 568.A O no hydrogen 2.907 N/A ARG 573.A N ARG 569.A O no hydrogen 2.918 N/A PHE 580.A N PRO 577.A O no hydrogen 3.137 N/A ASN 582.A ND2 SER 578.A O no hydrogen 2.843 N/A ILE 583.A N ALA 579.A O no hydrogen 2.953 N/A LEU 584.A N PHE 580.A O no hydrogen 2.952 N/A GLN 585.A N LEU 581.A O no hydrogen 2.912 N/A THR 586.A N ASN 582.A O no hydrogen 2.914 N/A THR 586.A OG1 ASN 582.A O no hydrogen 3.166 N/A THR 586.A OG1 ILE 583.A O no hydrogen 2.433 N/A THR 587.A N ILE 583.A O no hydrogen 2.931 N/A THR 587.A OG1 ILE 583.A O no hydrogen 3.485 N/A THR 587.A OG1 LEU 584.A O no hydrogen 2.484 N/A HIS 588.A N LEU 584.A O no hydrogen 2.898 N/A SER 589.A N GLN 585.A O no hydrogen 2.899 N/A SER 589.A N THR 586.A O no hydrogen 3.229 N/A SER 589.A OG GLN 585.A O no hydrogen 2.473 N/A GLY 591.A N HIS 588.A O no hydrogen 3.135 N/A TYR 592.A N THR 587.A O no hydrogen 3.288 N/A TYR 592.A OH THR 558.A OG1 no hydrogen 3.332 N/A TYR 592.A OH PRO 559.A O no hydrogen 2.959 N/A PHE 594.A N TYR 599.A OH no hydrogen 3.375 N/A SER 596.A OG LYS 628.A O no hydrogen 3.531 N/A ASP 600.A N SER 596.A O no hydrogen 2.894 N/A GLU 601.A N PRO 597.A O no hydrogen 2.855 N/A ILE 602.A N LEU 598.A O no hydrogen 2.959 N/A ILE 603.A N TYR 599.A O no hydrogen 2.918 N/A THR 604.A N ASP 600.A O no hydrogen 2.879 N/A THR 604.A OG1 ASP 600.A O no hydrogen 2.672 N/A THR 604.A OG1 ASP 600.A OD1 no hydrogen 3.338 N/A LEU 605.A N GLU 601.A O no hydrogen 2.908 N/A CYS 606.A N ILE 602.A O no hydrogen 2.919 N/A CYS 606.A SG ILE 602.A O no hydrogen 3.151 N/A LEU 607.A N ILE 603.A O no hydrogen 2.912 N/A ASP 608.A N THR 604.A O no hydrogen 2.866 N/A LEU 609.A N LEU 605.A O no hydrogen 2.927 N/A GLU 611.A N CYS 606.A O no hydrogen 2.993 N/A ALA 614.A N ASP 613.A OD1 no hydrogen 2.884 N/A ALA 615.A N GLU 611.A O no hydrogen 3.253 N/A ILE 616.A N LEU 612.A O no hydrogen 2.919 N/A ALA 617.A N ASP 613.A O no hydrogen 2.917 N/A ILE 618.A N ALA 614.A O no hydrogen 2.875 N/A VAL 619.A N ALA 615.A O no hydrogen 2.918 N/A ALA 620.A N ILE 616.A O no hydrogen 2.917 N/A ASP 621.A N ALA 617.A O no hydrogen 2.930 N/A LEU 622.A N ILE 618.A O no hydrogen 2.897 N/A GLU 623.A N VAL 619.A O no hydrogen 2.897 N/A THR 624.A N ALA 620.A O no hydrogen 2.915 N/A THR 624.A OG1 ALA 620.A O no hydrogen 2.828 N/A THR 624.A OG1 GLU 623.A OE1 no hydrogen 3.506 N/A SER 625.A N ASP 621.A O no hydrogen 2.900 N/A SER 625.A OG ASP 621.A O no hydrogen 3.286 N/A SER 625.A OG LEU 622.A O no hydrogen 2.756 N/A GLY 626.A N LEU 622.A O no hydrogen 3.127 N/A GLU 632.A N GLU 632.A OE1 no hydrogen 2.727 N/A THR 633.A OG1 PRO 630.A O no hydrogen 2.468 N/A LEU 634.A N PRO 630.A O no hydrogen 3.304 N/A ASP 635.A N ASP 631.A O no hydrogen 2.902 N/A ARG 636.A N GLU 632.A O no hydrogen 2.889 N/A ARG 636.A NH1 ARG 636.A O no hydrogen 3.458 N/A VAL 637.A N THR 633.A O no hydrogen 2.912 N/A ILE 638.A N LEU 634.A O no hydrogen 2.897 N/A SER 639.A N ASP 635.A O no hydrogen 2.901 N/A SER 639.A OG ASP 635.A O no hydrogen 2.943 N/A ALA 640.A N ARG 636.A O no hydrogen 2.892 N/A ARG 641.A N VAL 637.A O no hydrogen 2.902 N/A GLN 642.A N ILE 638.A O no hydrogen 2.901 N/A SER 643.A N SER 639.A O no hydrogen 2.897 N/A SER 643.A OG SER 639.A O no hydrogen 2.917 N/A SER 644.A N ALA 640.A O no hydrogen 2.901 N/A SER 644.A OG ALA 640.A O no hydrogen 3.176 N/A SER 644.A OG ARG 641.A O no hydrogen 2.704 N/A SER 644.A OG ASP 645.A OD1 no hydrogen 3.257 N/A ASP 645.A N ARG 641.A O no hydrogen 3.084 N/A