Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ja0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 20.A O no hydrogen 2.880 N/A LEU 6.A N ARG 465.A O no hydrogen 2.922 N/A GLY 7.A N ALA 18.A O no hydrogen 2.884 N/A LEU 8.A N HIS 467.A O no hydrogen 2.904 N/A ASP 9.A N GLY 16.A O no hydrogen 2.879 N/A ILE 10.A N GLU 469.A O no hydrogen 2.896 N/A GLY 11.A N SER 14.A O no hydrogen 2.899 N/A SER 14.A OG ARG 37.A O no hydrogen 3.526 N/A SER 14.A OG HIS 683.A ND1 no hydrogen 3.018 N/A VAL 15.A N ARG 37.A O no hydrogen 2.886 N/A GLY 16.A N ASP 9.A O no hydrogen 2.907 N/A TRP 17.A N GLY 35.A O no hydrogen 2.903 N/A ALA 18.A N GLY 7.A O no hydrogen 2.925 N/A MET 19.A N ASP 33.A O no hydrogen 2.903 N/A VAL 20.A N ILE 5.A O no hydrogen 2.945 N/A GLU 21.A N ARG 30.A O no hydrogen 3.314 N/A ASP 23.A N ASN 27.A O no hydrogen 3.299 N/A GLU 26.A N ASP 23.A O no hydrogen 3.408 N/A ASN 27.A N ASP 23.A OD1 no hydrogen 2.703 N/A ILE 29.A N GLU 21.A O no hydrogen 3.035 N/A ARG 30.A NE GLU 21.A OE1 no hydrogen 2.791 N/A ARG 30.A NH2 GLU 21.A OE1 no hydrogen 2.962 N/A ILE 32.A N MET 19.A O no hydrogen 3.274 N/A GLY 35.A N TRP 17.A O no hydrogen 2.910 N/A ARG 37.A N VAL 15.A O no hydrogen 2.900 N/A ARG 37.A NE GLU 1010.A O no hydrogen 3.247 N/A ARG 37.A NH1 GLN 448.A OE1 no hydrogen 2.825 N/A VAL 38.A N SER 776.A O no hydrogen 2.777 N/A PHE 39.A N ALA 13.A O no hydrogen 3.358 N/A GLU 43.A N ARG 41.A O no hydrogen 2.758 N/A VAL 44.A N ASP 49.A O no hydrogen 2.897 N/A LEU 57.A N MET 53.A O no hydrogen 2.938 N/A ALA 58.A N ALA 54.A O no hydrogen 2.895 N/A ARG 59.A N ARG 55.A O no hydrogen 2.915 N/A SER 60.A N ARG 56.A O no hydrogen 2.940 N/A VAL 61.A N LEU 57.A O no hydrogen 2.938 N/A ARG 62.A N ALA 58.A O no hydrogen 2.894 N/A ARG 63.A N ARG 59.A O no hydrogen 2.964 N/A LEU 64.A N SER 60.A O no hydrogen 2.907 N/A THR 65.A N VAL 61.A O no hydrogen 2.947 N/A ARG 66.A N ARG 62.A O no hydrogen 2.934 N/A ARG 67.A N ARG 63.A O no hydrogen 2.929 N/A ARG 68.A N LEU 64.A O no hydrogen 2.969 N/A ALA 69.A N THR 65.A O no hydrogen 2.950 N/A HIS 70.A N ARG 66.A O no hydrogen 2.933 N/A ARG 71.A N ARG 67.A O no hydrogen 2.893 N/A ARG 71.A NH1 ILE 128.A O no hydrogen 2.410 N/A LEU 72.A N ARG 68.A O no hydrogen 2.983 N/A LEU 73.A N ALA 69.A O no hydrogen 2.944 N/A ARG 74.A N HIS 70.A O no hydrogen 2.898 N/A THR 75.A N ARG 71.A O no hydrogen 2.906 N/A THR 75.A OG1 ARG 71.A O no hydrogen 3.260 N/A ARG 76.A N LEU 72.A O no hydrogen 2.962 N/A ARG 77.A N LEU 73.A O no hydrogen 2.942 N/A LEU 78.A N ARG 74.A O no hydrogen 2.884 N/A LEU 79.A N THR 75.A O no hydrogen 2.903 N/A LYS 80.A N ARG 76.A O no hydrogen 2.958 N/A ARG 81.A N ARG 77.A O no hydrogen 2.900 N/A GLU 82.A N LEU 78.A O no hydrogen 2.935 N/A ASN 89.A N GLN 86.A O no hydrogen 2.589 N/A ASN 89.A ND2 GLN 86.A O no hydrogen 3.672 N/A PHE 90.A N ALA 87.A O no hydrogen 3.377 N/A LYS 97.A N ASN 89.A O no hydrogen 3.326 N/A GLN 105.A N GLN 105.A OE1 no hydrogen 2.519 N/A LEU 106.A N THR 102.A O no hydrogen 3.266 N/A ARG 107.A N PRO 103.A O no hydrogen 2.706 N/A ARG 107.A NH1 HIS 126.A ND1 no hydrogen 3.036 N/A ARG 107.A NH2 GLU 191.A OE2 no hydrogen 2.983 N/A ALA 109.A N LEU 106.A O no hydrogen 3.005 N/A ARG 113.A NH1 GLU 119.A OE1 no hydrogen 3.388 N/A ARG 113.A NH2 GLU 119.A OE1 no hydrogen 3.411 N/A THR 116.A OG1 GLU 119.A OE2 no hydrogen 2.856 N/A GLU 119.A N THR 116.A O no hydrogen 2.632 N/A SER 121.A OG PRO 117.A O no hydrogen 3.486 N/A LEU 124.A N TRP 120.A O no hydrogen 2.974 N/A LEU 125.A N SER 121.A O no hydrogen 2.881 N/A HIS 126.A N ALA 122.A O no hydrogen 2.906 N/A LEU 127.A N VAL 123.A O no hydrogen 2.902 N/A ILE 128.A N LEU 124.A O no hydrogen 2.949 N/A LYS 129.A N LEU 125.A O no hydrogen 2.887 N/A HIS 130.A N HIS 126.A O no hydrogen 3.237 N/A HIS 130.A ND1 HIS 126.A O no hydrogen 3.350 N/A ARG 131.A NH1 LEU 219.A O no hydrogen 3.563 N/A ARG 131.A NH1 THR 221.A O no hydrogen 2.410 N/A ARG 131.A NH2 THR 221.A O no hydrogen 3.114 N/A TYR 133.A N PHE 183.A O no hydrogen 2.821 N/A LYS 140.A N GLY 136.A O no hydrogen 2.906 N/A GLY 141.A N ALA 137.A O no hydrogen 2.893 N/A VAL 142.A N LEU 138.A O no hydrogen 2.968 N/A ALA 143.A N LEU 139.A O no hydrogen 2.908 N/A GLY 144.A N LYS 140.A O no hydrogen 2.893 N/A ASN 145.A N GLY 141.A O no hydrogen 2.926 N/A ALA 146.A N VAL 142.A O no hydrogen 2.908 N/A HIS 147.A N ALA 143.A O no hydrogen 2.924 N/A ALA 148.A N GLY 144.A O no hydrogen 2.893 N/A LEU 149.A N ASN 145.A O no hydrogen 2.918 N/A GLN 150.A N ALA 146.A O no hydrogen 3.454 N/A THR 151.A N ALA 148.A O no hydrogen 3.353 N/A ARG 155.A NE GLU 159.A OE1 no hydrogen 3.487 N/A ALA 158.A N GLU 191.A OE2 no hydrogen 3.341 N/A GLU 159.A N THR 156.A OG1 no hydrogen 2.843 N/A LEU 160.A N THR 156.A O no hydrogen 3.073 N/A ALA 161.A N PRO 157.A O no hydrogen 2.891 N/A LEU 162.A N ALA 158.A O no hydrogen 2.898 N/A ASN 163.A N GLU 159.A O no hydrogen 2.897 N/A LYS 164.A N LEU 160.A O no hydrogen 3.240 N/A SER 169.A OG PHE 165.A O no hydrogen 3.560 N/A GLY 170.A N GLU 166.A O no hydrogen 2.769 N/A HIS 171.A ND1 ARG 173.A O no hydrogen 2.355 N/A SER 184.A OG ASP 187.A OD2 no hydrogen 2.977 N/A ARG 185.A N TYR 133.A O no hydrogen 2.600 N/A ARG 185.A NE LEU 219.A O no hydrogen 2.988 N/A LEU 188.A N SER 184.A O no hydrogen 3.301 N/A GLN 189.A N ARG 185.A O no hydrogen 2.915 N/A ALA 190.A N LYS 186.A O no hydrogen 2.945 N/A GLU 191.A N ASP 187.A O no hydrogen 2.895 N/A LEU 192.A N LEU 188.A O no hydrogen 2.855 N/A ILE 193.A N GLN 189.A O no hydrogen 2.924 N/A LEU 194.A N ALA 190.A O no hydrogen 2.953 N/A LEU 195.A N GLU 191.A O no hydrogen 2.826 N/A PHE 196.A N LEU 192.A O no hydrogen 2.949 N/A GLU 197.A N ILE 193.A O no hydrogen 2.947 N/A LYS 198.A N LEU 194.A O no hydrogen 2.900 N/A LYS 198.A NZ LEU 111.A O no hydrogen 3.380 N/A GLN 199.A N LEU 195.A O no hydrogen 2.896 N/A LYS 200.A N PHE 196.A O no hydrogen 2.915 N/A GLU 201.A N GLU 197.A O no hydrogen 2.943 N/A GLY 203.A N GLN 199.A O no hydrogen 3.368 N/A ASN 204.A ND2 GLN 199.A OE1 no hydrogen 3.018 N/A HIS 206.A N ASN 204.A OD1 no hydrogen 2.759 N/A GLY 210.A N SER 208.A OG no hydrogen 3.405 N/A LYS 212.A N SER 208.A O no hydrogen 3.389 N/A GLU 213.A N GLY 209.A O no hydrogen 2.932 N/A GLY 214.A N GLY 210.A O no hydrogen 2.896 N/A ILE 215.A N LEU 211.A O no hydrogen 2.935 N/A GLU 216.A N LYS 212.A O no hydrogen 2.912 N/A THR 217.A N GLU 213.A O no hydrogen 2.917 N/A THR 217.A OG1 GLU 213.A O no hydrogen 2.919 N/A THR 217.A OG1 GLU 213.A OE2 no hydrogen 3.188 N/A LEU 218.A N GLY 214.A O no hydrogen 2.914 N/A LEU 219.A N ILE 215.A O no hydrogen 2.894 N/A MET 220.A N GLU 216.A O no hydrogen 3.175 N/A THR 221.A OG1 THR 217.A O no hydrogen 2.187 N/A SER 227.A OG LEU 226.A O no hydrogen 2.820 N/A LYS 233.A N ALA 230.A O no hydrogen 3.376 N/A MET 234.A N VAL 231.A O no hydrogen 3.172 N/A ALA 243.A N GLU 241.A O no hydrogen 2.690 N/A LYS 246.A NZ HIS 237.A O no hydrogen 2.337 N/A LYS 249.A N LYS 392.A O no hydrogen 3.430 N/A THR 251.A OG1 ALA 248.A O no hydrogen 3.505 N/A ALA 254.A N THR 251.A OG1 no hydrogen 3.391 N/A GLU 255.A N THR 251.A O no hydrogen 3.273 N/A ARG 256.A N TYR 252.A O no hydrogen 2.923 N/A PHE 257.A N THR 253.A O no hydrogen 2.883 N/A ILE 258.A N ALA 254.A O no hydrogen 2.951 N/A TRP 259.A N GLU 255.A O no hydrogen 2.864 N/A TRP 259.A NE1 MET 286.A O no hydrogen 2.675 N/A LEU 260.A N ARG 256.A O no hydrogen 2.918 N/A THR 261.A N PHE 257.A O no hydrogen 2.923 N/A THR 261.A OG1 PHE 257.A O no hydrogen 2.867 N/A LYS 262.A N ILE 258.A O no hydrogen 2.935 N/A LEU 263.A N TRP 259.A O no hydrogen 2.865 N/A ASN 264.A N LEU 260.A O no hydrogen 2.937 N/A LEU 269.A N PHE 311.A O no hydrogen 2.754 N/A SER 273.A N GLU 270.A O no hydrogen 2.870 N/A SER 273.A OG GLU 270.A O no hydrogen 2.560 N/A ARG 275.A N ILE 268.A O no hydrogen 3.007 N/A ARG 275.A NH1 GLU 281.A OE1 no hydrogen 3.174 N/A ARG 275.A NH2 GLU 281.A OE1 no hydrogen 3.469 N/A ASP 279.A N THR 278.A OG1 no hydrogen 2.508 N/A ARG 282.A N THR 278.A O no hydrogen 3.182 N/A ARG 282.A NE THR 278.A O no hydrogen 3.337 N/A ARG 282.A NH2 LEU 277.A O no hydrogen 2.612 N/A THR 284.A N GLU 281.A O no hydrogen 3.331 N/A THR 284.A OG1 GLU 281.A O no hydrogen 3.022 N/A LEU 285.A N GLU 281.A O no hydrogen 3.342 N/A ARG 291.A N GLU 288.A O no hydrogen 3.043 N/A LYS 292.A N GLU 288.A O no hydrogen 3.156 N/A LEU 295.A N SER 293.A O no hydrogen 2.965 N/A TYR 297.A N THR 296.A OG1 no hydrogen 2.584 N/A LYS 302.A N ALA 298.A O no hydrogen 3.160 N/A LEU 304.A N ALA 300.A O no hydrogen 2.789 N/A GLY 305.A N ARG 301.A O no hydrogen 2.445 N/A PHE 311.A N LEU 269.A O no hydrogen 2.401 N/A ALA 317.A N ALA 315.A O no hydrogen 2.953 N/A LEU 320.A N LEU 295.A O no hydrogen 3.097 N/A HIS 327.A ND1 MET 323.A O no hydrogen 3.235 N/A ALA 328.A N LYS 324.A O no hydrogen 2.892 N/A ILE 329.A N ALA 325.A O no hydrogen 2.895 N/A SER 330.A N TYR 326.A O no hydrogen 2.929 N/A SER 330.A OG TYR 326.A O no hydrogen 3.050 N/A ARG 331.A N HIS 327.A O no hydrogen 2.848 N/A ALA 332.A N ALA 328.A O no hydrogen 2.904 N/A LEU 333.A N ILE 329.A O no hydrogen 2.922 N/A GLU 334.A N SER 330.A O no hydrogen 2.872 N/A LYS 335.A N ARG 331.A O no hydrogen 2.901 N/A GLY 337.A N GLU 334.A O no hydrogen 2.695 N/A SER 343.A OG LYS 342.A O no hydrogen 2.758 N/A LEU 345.A N TYR 326.A OH no hydrogen 3.332 N/A LEU 347.A N LEU 345.A O no hydrogen 2.795 N/A GLN 352.A N SER 348.A O no hydrogen 3.277 N/A ASP 353.A N PRO 349.A O no hydrogen 2.915 N/A GLU 354.A N GLU 350.A O no hydrogen 2.930 N/A ILE 355.A N LEU 351.A O no hydrogen 2.928 N/A GLY 356.A N GLN 352.A O no hydrogen 2.881 N/A THR 357.A N ASP 353.A O no hydrogen 2.946 N/A THR 357.A OG1 ASP 353.A O no hydrogen 3.205 N/A THR 357.A OG1 GLU 354.A O no hydrogen 2.518 N/A ALA 358.A N GLU 354.A O no hydrogen 2.932 N/A PHE 359.A N ILE 355.A O no hydrogen 2.860 N/A SER 360.A N GLY 356.A O no hydrogen 2.926 N/A SER 360.A OG ASN 250.A OD1 no hydrogen 3.021 N/A SER 360.A OG GLY 356.A O no hydrogen 2.703 N/A LEU 361.A N THR 357.A O no hydrogen 2.927 N/A PHE 362.A N ALA 358.A O no hydrogen 3.031 N/A LYS 363.A NZ PHE 390.A O no hydrogen 2.210 N/A ILE 368.A N THR 364.A O no hydrogen 3.087 N/A THR 369.A N ASP 365.A O no hydrogen 2.958 N/A THR 369.A OG1 GLU 366.A O no hydrogen 3.142 N/A GLY 370.A N ASP 367.A O no hydrogen 2.894 N/A ARG 371.A N.A ASP 367.A O no hydrogen 3.171 N/A ARG 371.A NH1.A GLY 370.A O no hydrogen 3.495 N/A LEU 372.A N ILE 368.A O no hydrogen 3.297 N/A ARG 375.A N LEU 372.A O no hydrogen 3.501 N/A ILE 376.A N LEU 372.A O no hydrogen 3.393 N/A ILE 380.A N GLN 377.A O no hydrogen 2.975 N/A ALA 383.A N GLU 379.A O no hydrogen 2.915 N/A LEU 384.A N ILE 380.A O no hydrogen 2.872 N/A LEU 385.A N LEU 381.A O no hydrogen 2.936 N/A HIS 387.A NE2 GLU 336.A OE1 no hydrogen 2.826 N/A PHE 393.A N GLN 232.A O no hydrogen 3.192 N/A VAL 394.A N ALA 247.A O no hydrogen 2.616 N/A GLN 395.A N GLN 395.A OE1 no hydrogen 2.266 N/A SER 397.A OG PRO 245.A O no hydrogen 3.001 N/A LEU 401.A N SER 397.A O no hydrogen 3.280 N/A LEU 401.A N LEU 398.A O no hydrogen 3.215 N/A ARG 403.A N ALA 400.A O no hydrogen 3.223 N/A ILE 404.A N ALA 400.A O no hydrogen 2.912 N/A VAL 405.A N LEU 401.A O no hydrogen 2.954 N/A MET 408.A N ILE 404.A O no hydrogen 3.220 N/A GLU 409.A N VAL 405.A O no hydrogen 2.932 N/A GLN 410.A N PRO 406.A O no hydrogen 2.942 N/A GLY 411.A N MET 408.A O no hydrogen 3.377 N/A LYS 412.A N LEU 407.A O no hydrogen 3.169 N/A LYS 412.A NZ GLU 416.A OE1 no hydrogen 3.161 N/A ARG 413.A N GLU 416.A OE2 no hydrogen 2.877 N/A ALA 417.A N ARG 413.A O no hydrogen 2.768 N/A CYS 418.A N TYR 414.A O no hydrogen 2.941 N/A CYS 418.A SG TYR 414.A O no hydrogen 3.051 N/A CYS 418.A SG ASP 415.A O no hydrogen 3.096 N/A CYS 418.A SG ASP 415.A OD1 no hydrogen 3.899 N/A ALA 419.A N ASP 415.A O no hydrogen 2.915 N/A GLU 420.A N GLU 416.A O no hydrogen 2.886 N/A ILE 421.A N ALA 417.A O no hydrogen 2.929 N/A TYR 422.A N CYS 418.A O no hydrogen 2.990 N/A LEU 429.A N ASN 454.A OD1 no hydrogen 3.171 N/A LEU 443.A N ASN 439.A O no hydrogen 3.188 N/A ARG 444.A N PRO 440.A O no hydrogen 2.901 N/A ALA 445.A N VAL 441.A O no hydrogen 2.927 N/A LEU 446.A N VAL 442.A O no hydrogen 2.905 N/A SER 447.A N LEU 443.A O no hydrogen 2.881 N/A SER 447.A OG LEU 443.A O no hydrogen 2.799 N/A GLN 448.A N ARG 444.A O no hydrogen 2.952 N/A ALA 449.A N ALA 445.A O no hydrogen 2.913 N/A ARG 450.A N LEU 446.A O no hydrogen 2.853 N/A ARG 450.A NE LEU 429.A O no hydrogen 2.855 N/A ARG 450.A NH2 LEU 429.A O no hydrogen 3.389 N/A LYS 451.A N SER 447.A O no hydrogen 2.916 N/A VAL 452.A N GLN 448.A O no hydrogen 2.938 N/A ILE 453.A N ALA 449.A O no hydrogen 2.891 N/A ASN 454.A N ARG 450.A O no hydrogen 2.876 N/A GLY 455.A N LYS 451.A O no hydrogen 2.927 N/A VAL 456.A N VAL 452.A O no hydrogen 2.933 N/A VAL 457.A N ILE 453.A O no hydrogen 2.921 N/A ARG 458.A N ASN 454.A O no hydrogen 2.899 N/A ARG 459.A N GLY 455.A O no hydrogen 2.923 N/A TYR 460.A N VAL 456.A O no hydrogen 2.859 N/A TYR 460.A OH ASP 33.A OD2 no hydrogen 2.856 N/A ALA 464.A N TYR 4.A O no hydrogen 3.016 N/A ARG 465.A NE GLU 26.A OE2 no hydrogen 2.383 N/A HIS 467.A N LEU 6.A O no hydrogen 2.887 N/A ILE 468.A N PHE 661.A O no hydrogen 3.277 N/A GLU 469.A N LEU 8.A O no hydrogen 2.905 N/A ALA 471.A N ILE 10.A O no hydrogen 3.159 N/A VAL 474.A N ALA 471.A O no hydrogen 3.154 N/A ARG 481.A N SER 477.A O no hydrogen 3.086 N/A ARG 481.A NH1 GLU 473.A O no hydrogen 3.157 N/A ARG 481.A NH2 GLU 43.A OE2 no hydrogen 3.499 N/A LYS 482.A N PHE 478.A O no hydrogen 2.922 N/A GLU 483.A N LYS 479.A O no hydrogen 2.910 N/A ILE 484.A N ASP 480.A O no hydrogen 2.877 N/A GLU 485.A N ARG 481.A O no hydrogen 2.937 N/A LYS 486.A N LYS 482.A O no hydrogen 2.941 N/A ARG 487.A N GLU 483.A O no hydrogen 2.883 N/A GLN 488.A N ILE 484.A O no hydrogen 2.895 N/A GLU 489.A N GLU 485.A O no hydrogen 2.938 N/A GLU 490.A N LYS 486.A O no hydrogen 2.913 N/A ASN 491.A N ARG 487.A O no hydrogen 2.867 N/A ARG 492.A N GLN 488.A O no hydrogen 2.911 N/A LYS 493.A N GLU 489.A O no hydrogen 2.944 N/A ASP 494.A N GLU 490.A O no hydrogen 2.896 N/A ARG 495.A N ASN 491.A O no hydrogen 2.876 N/A GLU 496.A N ARG 492.A O no hydrogen 2.927 N/A LYS 497.A N LYS 493.A O no hydrogen 2.930 N/A ALA 498.A N ASP 494.A O no hydrogen 2.894 N/A ALA 499.A N ARG 495.A O no hydrogen 2.878 N/A ALA 500.A N GLU 496.A O no hydrogen 2.905 N/A LYS 501.A N LYS 497.A O no hydrogen 2.941 N/A PHE 502.A N ALA 498.A O no hydrogen 2.881 N/A ARG 503.A N.A ALA 499.A O no hydrogen 2.935 N/A ARG 503.A N.B ALA 499.A O no hydrogen 2.935 N/A ARG 503.A NH1.A GLU 512.A OE1 no hydrogen 3.327 N/A ARG 503.A NH1.B GLU 512.A OE1 no hydrogen 3.324 N/A GLU 504.A N LYS 501.A O no hydrogen 3.341 N/A PHE 509.A N PHE 506.A O no hydrogen 3.280 N/A ILE 518.A N LYS 514.A O no hydrogen 3.364 N/A LEU 519.A N SER 515.A O no hydrogen 2.875 N/A LYS 520.A N LYS 516.A O no hydrogen 2.948 N/A LEU 521.A N ASP 517.A O no hydrogen 2.880 N/A ARG 522.A N ILE 518.A O no hydrogen 2.877 N/A LEU 523.A N LEU 519.A O no hydrogen 2.906 N/A TYR 524.A N LYS 520.A O no hydrogen 2.916 N/A GLU 525.A N LEU 521.A O no hydrogen 2.887 N/A GLN 526.A N ARG 522.A O no hydrogen 2.919 N/A GLN 526.A NE2 ARG 522.A O no hydrogen 3.278 N/A GLN 527.A N LEU 523.A O no hydrogen 3.256 N/A GLN 527.A NE2 LEU 523.A O no hydrogen 3.354 N/A GLN 527.A NE2 LEU 570.A O no hydrogen 3.227 N/A HIS 528.A N GLU 525.A O no hydrogen 3.102 N/A LYS 530.A NZ THR 606.A OG1 no hydrogen 2.478 N/A CYS 531.A SG LEU 532.A O no hydrogen 3.129 N/A SER 534.A N LEU 532.A O no hydrogen 2.514 N/A SER 534.A OG SER 574.A OG no hydrogen 2.264 N/A ASN 544.A ND2 ASP 517.A OD2 no hydrogen 2.330 N/A ASP 552.A N VAL 569.A O no hydrogen 2.897 N/A HIS 553.A NE2 ASP 563.A OD1 no hydrogen 2.973 N/A ALA 554.A N ASN 567.A O no hydrogen 3.029 N/A LEU 555.A N ASN 567.A OD1 no hydrogen 2.620 N/A ARG 559.A N PRO 556.A O no hydrogen 3.413 N/A ARG 559.A NH1 ASN 581.A O no hydrogen 2.710 N/A THR 560.A N PRO 556.A O no hydrogen 3.263 N/A THR 560.A N PHE 557.A O no hydrogen 3.253 N/A THR 560.A OG1 PRO 556.A O no hydrogen 2.792 N/A TRP 561.A N PHE 557.A O no hydrogen 3.050 N/A SER 564.A OG ASP 562.A O no hydrogen 3.484 N/A SER 564.A OG ASP 563.A O no hydrogen 2.681 N/A ASN 566.A N SER 564.A OG no hydrogen 3.216 N/A ASN 567.A ND2 LEU 555.A O no hydrogen 2.729 N/A ASN 567.A ND2 ASP 562.A O no hydrogen 3.290 N/A VAL 569.A N ASP 552.A O no hydrogen 2.908 N/A SER 574.A OG SER 534.A OG no hydrogen 2.264 N/A GLN 577.A NE2 GLU 575.A O no hydrogen 2.829 N/A LYS 579.A NZ TYR 533.A OH no hydrogen 3.147 N/A LYS 579.A NZ ALA 554.A O no hydrogen 3.496 N/A GLU 586.A N THR 583.A O no hydrogen 2.978 N/A TYR 587.A N PRO 584.A O no hydrogen 3.407 N/A PHE 588.A N PRO 584.A O no hydrogen 3.276 N/A ASN 593.A N GLY 590.A O no hydrogen 3.164 N/A SER 594.A N ASN 589.A O no hydrogen 3.150 N/A GLU 596.A N SER 594.A OG no hydrogen 3.325 N/A GLN 598.A N SER 594.A O no hydrogen 3.402 N/A GLN 598.A NE2 SER 594.A O no hydrogen 3.658 N/A GLU 599.A N ARG 595.A O no hydrogen 2.908 N/A LYS 601.A N TRP 597.A O no hydrogen 2.933 N/A ALA 602.A N GLN 598.A O no hydrogen 2.909 N/A ARG 603.A N GLU 599.A O no hydrogen 2.914 N/A VAL 604.A N PHE 600.A O no hydrogen 2.928 N/A GLU 605.A N ALA 602.A O no hydrogen 3.342 N/A THR 606.A OG1 ARG 603.A O no hydrogen 3.445 N/A SER 607.A N VAL 604.A O no hydrogen 3.209 N/A SER 607.A OG VAL 604.A O no hydrogen 3.089 N/A ARG 608.A N GLN 526.A O no hydrogen 3.331 N/A ARG 608.A NH1 GLU 525.A O no hydrogen 2.567 N/A SER 612.A OG ASN 566.A OD1 no hydrogen 2.619 N/A LYS 614.A N PRO 610.A O no hydrogen 2.498 N/A LYS 614.A NZ VAL 604.A O no hydrogen 2.654 N/A GLN 615.A N ARG 611.A O no hydrogen 2.917 N/A ARG 616.A N LYS 613.A O no hydrogen 3.121 N/A ARG 616.A NH1 ASP 562.A OD2 no hydrogen 3.298 N/A GLU 624.A N GLU 624.A OE1 no hydrogen 2.744 N/A ASP 625.A N ASP 623.A O no hydrogen 3.024 N/A GLY 626.A N ASP 623.A OD2 no hydrogen 2.670 N/A LYS 628.A NZ SER 558.A O no hydrogen 3.408 N/A GLU 629.A N ASP 625.A O no hydrogen 3.042 N/A ARG 630.A N GLY 626.A O no hydrogen 2.561 N/A ARG 630.A N PHE 627.A O no hydrogen 2.928 N/A ASN 631.A N PHE 627.A O no hydrogen 3.077 N/A ASN 631.A ND2 THR 560.A O no hydrogen 3.186 N/A THR 635.A OG1 THR 635.A O no hydrogen 2.387 N/A ARG 636.A NH2 THR 470.A OG1 no hydrogen 2.568 N/A ARG 640.A N ARG 636.A O no hydrogen 3.125 N/A PHE 641.A N TYR 637.A O no hydrogen 2.910 N/A LEU 642.A N VAL 638.A O no hydrogen 2.921 N/A CYS 643.A N ASN 639.A O no hydrogen 2.887 N/A CYS 643.A SG ASN 639.A O no hydrogen 3.021 N/A GLN 644.A N ARG 640.A O no hydrogen 2.950 N/A PHE 645.A N PHE 641.A O no hydrogen 2.899 N/A VAL 646.A N LEU 642.A O no hydrogen 2.945 N/A ALA 647.A N CYS 643.A O no hydrogen 2.892 N/A ASP 648.A N GLN 644.A O no hydrogen 2.957 N/A ARG 649.A N PHE 645.A O no hydrogen 2.906 N/A ARG 651.A N LYS 426.A O no hydrogen 3.033 N/A GLY 654.A N LEU 652.A O no hydrogen 2.817 N/A LYS 655.A NZ GLU 24.A O no hydrogen 3.167 N/A ARG 659.A NH1 GLY 656.A O no hydrogen 3.480 N/A PHE 661.A N ILE 466.A O no hydrogen 3.197 N/A SER 663.A N ILE 468.A O no hydrogen 3.106 N/A SER 663.A OG ASN 664.A O no hydrogen 3.510 N/A ASN 664.A ND2 ASN 631.A O no hydrogen 3.243 N/A THR 668.A OG1 ASN 664.A O no hydrogen 3.514 N/A ASN 669.A N GLY 665.A O no hydrogen 3.187 N/A LEU 670.A N GLN 666.A O no hydrogen 2.928 N/A LEU 671.A N ILE 667.A O no hydrogen 2.909 N/A ARG 672.A N THR 668.A O no hydrogen 2.913 N/A GLY 673.A N ASN 669.A O no hydrogen 2.906 N/A PHE 674.A N LEU 670.A O no hydrogen 2.910 N/A TRP 675.A N LEU 671.A O no hydrogen 2.928 N/A ASN 679.A ND2 ASP 981.A OD2 no hydrogen 3.551 N/A ARG 681.A NH1 VAL 732.A O no hydrogen 3.411 N/A ARG 681.A NH2 ASP 981.A OD2 no hydrogen 2.307 N/A LEU 685.A N HIS 682.A O no hydrogen 3.052 N/A ALA 687.A N HIS 683.A O no hydrogen 3.263 N/A VAL 688.A N ALA 684.A O no hydrogen 2.912 N/A VAL 689.A N LEU 685.A O no hydrogen 2.926 N/A VAL 690.A N ASP 686.A O no hydrogen 2.888 N/A ALA 691.A N ALA 687.A O no hydrogen 3.125 N/A CYS 692.A SG VAL 688.A O no hydrogen 3.832 N/A SER 693.A N VAL 690.A O no hydrogen 3.496 N/A THR 694.A OG1 GLU 26.A O no hydrogen 2.778 N/A GLN 698.A N THR 694.A O no hydrogen 3.090 N/A GLN 699.A N VAL 695.A O no hydrogen 2.886 N/A LYS 700.A N ALA 696.A O no hydrogen 2.939 N/A ILE 701.A N MET 697.A O no hydrogen 2.873 N/A THR 702.A N GLN 698.A O no hydrogen 2.894 N/A THR 702.A OG1 GLN 698.A O no hydrogen 2.685 N/A THR 702.A OG1 GLN 699.A O no hydrogen 2.508 N/A ARG 703.A N GLN 699.A O no hydrogen 2.937 N/A PHE 704.A N LYS 700.A O no hydrogen 2.914 N/A VAL 705.A N ILE 701.A O no hydrogen 2.916 N/A ARG 706.A N THR 702.A O no hydrogen 2.900 N/A TYR 707.A N ARG 703.A O no hydrogen 2.921 N/A LYS 708.A N PHE 704.A O no hydrogen 2.918 N/A GLU 709.A N ARG 706.A O no hydrogen 3.348 N/A ASN 711.A N LYS 708.A O no hydrogen 3.475 N/A VAL 728.A N PHE 724.A O no hydrogen 3.307 N/A ILE 730.A N GLN 726.A O no hydrogen 2.925 N/A ARG 731.A N GLU 727.A O no hydrogen 2.894 N/A ARG 731.A NH1 LEU 31.A O no hydrogen 3.274 N/A ARG 731.A NH2 ILE 32.A O no hydrogen 3.537 N/A VAL 732.A N VAL 728.A O no hydrogen 2.914 N/A PHE 733.A N MET 729.A O no hydrogen 2.914 N/A GLY 734.A N ILE 730.A O no hydrogen 2.979 N/A GLU 741.A N GLU 741.A OE1 no hydrogen 2.685 N/A PHE 742.A N LYS 739.A O no hydrogen 3.315 N/A LEU 751.A N THR 747.A O no hydrogen 3.091 N/A ARG 752.A N LEU 748.A O no hydrogen 2.910 N/A THR 753.A N GLU 749.A O no hydrogen 2.912 N/A LEU 754.A N LYS 750.A O no hydrogen 2.929 N/A LEU 755.A N LEU 751.A O no hydrogen 2.921 N/A ALA 756.A N ARG 752.A O no hydrogen 2.907 N/A GLU 757.A N THR 753.A O no hydrogen 2.891 N/A LYS 758.A N LEU 754.A O no hydrogen 2.923 N/A LYS 758.A NZ LYS 758.A O no hydrogen 3.543 N/A LEU 759.A N LEU 755.A O no hydrogen 3.021 N/A ARG 762.A N LEU 759.A O no hydrogen 3.144 N/A ALA 765.A N ARG 762.A O no hydrogen 3.244 N/A VAL 775.A N HIS 980.A ND1 no hydrogen 3.374 N/A SER 776.A N VAL 36.A O no hydrogen 3.425 N/A SER 776.A OG ASP 1009.A O no hydrogen 3.497 N/A ALA 778.A N VAL 38.A O no hydrogen 2.935 N/A ARG 781.A NH2 ASP 950.A OD1 no hydrogen 3.188 N/A LYS 782.A NZ ASN 780.A OD1 no hydrogen 3.112 N/A HIS 788.A ND1 MET 789.A O no hydrogen 2.619 N/A LYS 793.A N ILE 886.A O no hydrogen 2.616 N/A LYS 793.A NZ GLN 874.A OE1 no hydrogen 2.509 N/A LYS 793.A NZ ASP 888.A OD1 no hydrogen 2.487 N/A SER 794.A N VAL 804.A O no hydrogen 3.111 N/A ARG 797.A NH2 GLU 871.A OE2 no hydrogen 3.132 N/A SER 803.A OG GLN 872.A O no hydrogen 3.212 N/A SER 803.A OG GLN 874.A OE1 no hydrogen 3.362 N/A LEU 805.A N VAL 870.A O no hydrogen 2.939 N/A VAL 807.A N VAL 868.A O no hydrogen 2.878 N/A LEU 809.A N LYS 866.A O no hydrogen 3.473 N/A GLN 811.A N PRO 808.A O no hydrogen 3.255 N/A LEU 812.A N PRO 808.A O no hydrogen 3.120 N/A LEU 812.A N LEU 809.A O no hydrogen 3.184 N/A LEU 817.A N LEU 814.A O no hydrogen 3.346 N/A LYS 819.A N ASP 816.A O no hydrogen 3.196 N/A ASN 822.A ND2 GLU 826.A OE2 no hydrogen 2.791 N/A TYR 830.A OH GLU 818.A OE1 no hydrogen 2.772 N/A GLU 831.A N PRO 827.A O no hydrogen 3.085 N/A ALA 832.A N LYS 828.A O no hydrogen 2.911 N/A LEU 833.A N LEU 829.A O no hydrogen 2.905 N/A LYS 834.A N TYR 830.A O no hydrogen 2.888 N/A ALA 835.A N GLU 831.A O no hydrogen 2.890 N/A ARG 836.A N ALA 832.A O no hydrogen 2.928 N/A ARG 836.A NH1 PRO 851.A O no hydrogen 3.529 N/A LEU 837.A N LEU 833.A O no hydrogen 2.884 N/A GLU 838.A N LYS 834.A O no hydrogen 2.611 N/A LYS 846.A N ASP 843.A OD1 no hydrogen 2.843 N/A ALA 847.A N PRO 844.A O no hydrogen 3.353 N/A PHE 848.A N PRO 844.A O no hydrogen 3.093 N/A GLY 859.A N ASP 856.A O no hydrogen 3.139 N/A THR 862.A OG1 LYS 854.A O no hydrogen 2.728 N/A GLN 864.A NE2 TYR 853.A OH no hydrogen 3.114 N/A VAL 868.A N VAL 807.A O no hydrogen 2.946 N/A VAL 870.A N LEU 805.A O no hydrogen 2.864 N/A GLU 871.A N LYS 819.A O no hydrogen 2.801 N/A GLN 872.A N SER 803.A O no hydrogen 2.878 N/A GLN 874.A NE2 THR 876.A O no hydrogen 2.533 N/A GLN 874.A NE2 ASP 888.A OD1 no hydrogen 3.221 N/A VAL 878.A N ALA 887.A O no hydrogen 2.889 N/A VAL 880.A N GLY 885.A O no hydrogen 2.904 N/A ASN 884.A N VAL 880.A O no hydrogen 3.281 N/A GLY 885.A N VAL 880.A O no hydrogen 2.927 N/A ILE 886.A N LYS 793.A O no hydrogen 2.672 N/A ALA 887.A N VAL 878.A O no hydrogen 2.915 N/A VAL 893.A N ILE 909.A O no hydrogen 3.286 N/A ARG 894.A N ILE 909.A O no hydrogen 2.951 N/A ARG 894.A NH2 PRO 1024.A O no hydrogen 2.800 N/A VAL 895.A N LEU 946.A O no hydrogen 2.956 N/A ASP 896.A N VAL 907.A O no hydrogen 2.901 N/A VAL 897.A N PHE 944.A O no hydrogen 2.961 N/A PHE 898.A N TYR 905.A O no hydrogen 2.924 N/A GLU 899.A N ASN 941.A O no hydrogen 2.987 N/A LYS 900.A N LYS 903.A O no hydrogen 2.913 N/A LYS 903.A N LYS 900.A O no hydrogen 2.897 N/A TYR 905.A N PHE 898.A O no hydrogen 2.876 N/A VAL 907.A N ASP 896.A O no hydrogen 2.891 N/A ILE 909.A N ARG 894.A O no hydrogen 2.871 N/A SER 911.A OG GLN 786.A O no hydrogen 2.375 N/A VAL 914.A N TYR 910.A O no hydrogen 3.380 N/A ALA 915.A N SER 911.A O no hydrogen 2.908 N/A LYS 916.A N TRP 912.A O no hydrogen 2.910 N/A GLY 917.A N VAL 914.A O no hydrogen 3.211 N/A ALA 923.A N GLN 934.A O no hydrogen 2.929 N/A VAL 924.A N LEU 906.A O no hydrogen 2.876 N/A ASP 932.A N ASP 929.A O no hydrogen 3.020 N/A TRP 933.A N GLU 930.A O no hydrogen 3.031 N/A GLN 934.A NE2 LEU 935.A O no hydrogen 3.280 N/A ILE 936.A N ASP 921.A O no hydrogen 2.724 N/A SER 939.A N ASP 937.A OD1 no hydrogen 3.053 N/A PHE 940.A N ASP 937.A O no hydrogen 3.265 N/A LYS 943.A N VAL 897.A O no hydrogen 2.993 N/A LEU 946.A N VAL 895.A O no hydrogen 2.816 N/A ASN 949.A N PHE 965.A O no hydrogen 2.922 N/A ASN 949.A ND2 ALA 778.A O no hydrogen 3.353 N/A VAL 952.A N GLY 963.A O no hydrogen 2.885 N/A GLU 953.A N GLN 1004.A O no hydrogen 2.884 N/A VAL 954.A N MET 961.A O no hydrogen 2.899 N/A ILE 955.A N SER 1002.A O no hydrogen 2.903 N/A ARG 960.A NH2 GLU 953.A OE2 no hydrogen 2.477 N/A MET 961.A N VAL 954.A O no hydrogen 2.920 N/A GLY 963.A N VAL 952.A O no hydrogen 2.964 N/A TYR 964.A N ARG 978.A O no hydrogen 2.920 N/A TYR 964.A OH VAL 775.A O no hydrogen 3.103 N/A PHE 965.A N ASP 950.A O no hydrogen 2.870 N/A ALA 966.A N ASN 976.A O no hydrogen 2.904 N/A HIS 969.A N ASN 974.A O no hydrogen 3.167 N/A ARG 970.A NH1 TYR 910.A OH no hydrogen 3.184 N/A ARG 970.A NH2 GLU 930.A OE1 no hydrogen 3.108 N/A GLY 971.A N HIS 969.A ND1 no hydrogen 3.028 N/A THR 972.A N HIS 969.A O no hydrogen 3.430 N/A GLY 973.A N HIS 969.A O no hydrogen 2.709 N/A ASN 974.A N THR 972.A OG1 no hydrogen 3.228 N/A ASN 976.A N SER 967.A O no hydrogen 2.876 N/A ARG 978.A N TYR 964.A O no hydrogen 2.868 N/A ARG 978.A NH1 ASN 949.A OD1 no hydrogen 3.132 N/A ILE 979.A N GLY 990.A O no hydrogen 2.785 N/A LEU 982.A N ILE 979.A O no hydrogen 3.022 N/A LYS 985.A N ASP 983.A OD1 no hydrogen 3.133 N/A ILE 986.A N ASP 983.A O no hydrogen 3.325 N/A LYS 988.A N ILE 991.A O no hydrogen 3.190 N/A ILE 991.A N LYS 988.A O no hydrogen 3.348 N/A LEU 992.A N ILE 977.A O no hydrogen 2.885 N/A ILE 995.A N ILE 975.A O no hydrogen 3.351 N/A THR 999.A OG1 LYS 998.A O no hydrogen 2.366 N/A ALA 1000.A N VAL 997.A O no hydrogen 3.359 N/A LEU 1001.A N ILE 955.A O no hydrogen 3.070 N/A GLN 1004.A N GLU 953.A O no hydrogen 2.965 N/A GLN 1004.A NE2 SER 1002.A OG no hydrogen 3.363 N/A TYR 1006.A N LEU 951.A O no hydrogen 2.438 N/A TYR 1006.A OH GLU 953.A OE1 no hydrogen 3.133 N/A GLN 1007.A N ARG 1016.A O no hydrogen 2.875 N/A ASP 1009.A N LYS 1013.A O no hydrogen 3.110 N/A GLU 1010.A N GLU 1010.A OE1 no hydrogen 2.932 N/A LYS 1013.A NZ ASP 33.A OD1 no hydrogen 3.538 N/A LYS 1013.A NZ ASP 33.A OD2 no hydrogen 3.526 N/A ARG 1016.A N GLN 1007.A O no hydrogen 3.215 N/A ARG 1016.A NH1 GLU 1014.A OE1 no hydrogen 3.432 N/A CYS 1018.A N LYS 1005.A O no hydrogen 3.501 N/A CYS 1018.A SG LYS 1005.A O no hydrogen 3.263 N/A ARG 1023.A NH2 PRO 920.A O no hydrogen 3.252 N/A ARG 1027.A NE VAL 914.A O no hydrogen 3.432 N/A ARG 1027.A NH2 LYS 916.A O no hydrogen 3.209 N/A