Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7trd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG PRO 146.A O no hydrogen 3.801 N/A ARG 5.A NE CYS 1.A O no hydrogen 2.633 N/A SER 6.A N ARG 2.A O no hydrogen 2.910 N/A LEU 7.A N ALA 3.A O no hydrogen 2.936 N/A LEU 8.A N VAL 4.A O no hydrogen 2.920 N/A ARG 9.A N ARG 5.A O no hydrogen 2.923 N/A SER 10.A N SER 6.A O no hydrogen 2.900 N/A SER 10.A OG SER 6.A O no hydrogen 3.476 N/A SER 10.A OG LEU 7.A O no hydrogen 2.402 N/A HIS 11.A N LEU 7.A O no hydrogen 2.921 N/A TYR 12.A N ARG 9.A O no hydrogen 3.394 N/A ARG 13.A N VAL 52.A O no hydrogen 2.947 N/A LEU 16.A N VAL 50.A O no hydrogen 3.129 N/A LEU 18.A N CYS 48.A O no hydrogen 3.438 N/A THR 20.A OG1 PRO 17.A O no hydrogen 2.390 N/A PHE 21.A N PRO 17.A O no hydrogen 3.339 N/A VAL 22.A N LEU 18.A O no hydrogen 2.913 N/A ARG 23.A N ALA 19.A O no hydrogen 2.928 N/A ARG 24.A N THR 20.A O no hydrogen 2.914 N/A LEU 25.A N PHE 21.A O no hydrogen 2.896 N/A GLY 26.A N VAL 22.A O no hydrogen 2.704 N/A GLN 34.A N ASP 37.A OD2 no hydrogen 2.928 N/A ARG 42.A N PRO 38.A O no hydrogen 3.179 N/A ALA 43.A N ALA 39.A O no hydrogen 2.899 N/A LEU 44.A N ALA 40.A O no hydrogen 2.895 N/A VAL 45.A N PHE 41.A O no hydrogen 2.907 N/A ALA 46.A N ARG 42.A O no hydrogen 2.906 N/A GLN 47.A N ALA 43.A O no hydrogen 2.916 N/A CYS 48.A N LEU 44.A O no hydrogen 3.155 N/A CYS 48.A SG PHE 141.A O no hydrogen 3.560 N/A LEU 49.A N PHE 141.A O no hydrogen 2.891 N/A VAL 50.A N LEU 16.A O no hydrogen 2.822 N/A CYS 51.A N ALA 139.A O no hydrogen 2.871 N/A ALA 56.A N ASP 55.A OD1 no hydrogen 2.637 N/A SER 64.A OG ARG 66.A O no hydrogen 3.317 N/A ARG 66.A N SER 64.A OG no hydrogen 3.213 N/A VAL 68.A N ASP 128.A OD2 no hydrogen 2.454 N/A LEU 74.A N CYS 70.A O no hydrogen 2.983 N/A VAL 75.A N LEU 71.A O no hydrogen 2.924 N/A ALA 76.A N LYS 72.A O no hydrogen 2.870 N/A ARG 77.A N GLU 73.A O no hydrogen 2.935 N/A VAL 78.A N LEU 74.A O no hydrogen 2.940 N/A LEU 79.A N VAL 75.A O no hydrogen 2.853 N/A GLN 80.A N ALA 76.A O no hydrogen 2.922 N/A ARG 81.A N ARG 77.A O no hydrogen 2.963 N/A LEU 82.A N VAL 78.A O no hydrogen 2.927 N/A CYS 83.A N LEU 79.A O no hydrogen 2.864 N/A CYS 83.A SG LEU 79.A O no hydrogen 3.187 N/A GLU 84.A N GLN 80.A O no hydrogen 2.870 N/A ARG 85.A N ARG 81.A O no hydrogen 2.953 N/A GLY 86.A N LEU 82.A O no hydrogen 2.966 N/A VAL 90.A N GLY 154.A O no hydrogen 3.276 N/A LEU 91.A N ASN 89.A OD1 no hydrogen 2.661 N/A ALA 92.A N ASN 89.A O no hydrogen 2.910 N/A PHE 95.A N ALA 92.A O no hydrogen 2.984 N/A ALA 96.A N ARG 102.A O no hydrogen 2.897 N/A THR 99.A OG1 GLN 80.A OE1 no hydrogen 3.303 N/A ARG 102.A N ALA 96.A O no hydrogen 2.889 N/A SER 103.A OG GLY 94.A O no hydrogen 3.527 N/A TYR 104.A N GLY 94.A O no hydrogen 3.191 N/A THR 108.A OG1 GLU 595.A OE1 no hydrogen 2.947 N/A THR 110.A N ASN 107.A OD1 no hydrogen 3.209 N/A ASP 111.A N ASN 107.A O no hydrogen 2.964 N/A ALA 112.A N THR 108.A O no hydrogen 2.900 N/A LEU 113.A N VAL 109.A O no hydrogen 2.925 N/A ARG 114.A N THR 110.A O no hydrogen 2.931 N/A GLY 115.A N ASP 111.A O no hydrogen 3.426 N/A SER 116.A N ALA 112.A O no hydrogen 3.128 N/A GLY 120.A N SER 116.A O no hydrogen 3.348 N/A LEU 121.A N GLY 117.A O no hydrogen 2.835 N/A LEU 122.A N ALA 118.A O no hydrogen 2.929 N/A LEU 123.A N TRP 119.A O no hydrogen 2.872 N/A ARG 124.A N GLY 120.A O no hydrogen 2.921 N/A ARG 125.A N LEU 121.A O no hydrogen 2.912 N/A ARG 125.A NH2 ASP 37.A OD2 no hydrogen 3.136 N/A VAL 126.A N LEU 122.A O no hydrogen 2.935 N/A VAL 132.A N ASP 128.A O no hydrogen 2.914 N/A HIS 133.A N ASP 129.A O no hydrogen 2.925 N/A LEU 134.A N VAL 130.A O no hydrogen 2.886 N/A LEU 135.A N LEU 131.A O no hydrogen 2.887 N/A ALA 136.A N HIS 133.A O no hydrogen 3.149 N/A ARG 137.A N HIS 133.A O no hydrogen 2.914 N/A CYS 138.A SG HIS 133.A O no hydrogen 3.726 N/A ALA 139.A N CYS 51.A O no hydrogen 2.933 N/A LEU 140.A N CYS 153.A O no hydrogen 2.886 N/A PHE 141.A N LEU 49.A O no hydrogen 2.938 N/A LEU 143.A N GLN 47.A O no hydrogen 2.959 N/A VAL 144.A N CYS 148.A O no hydrogen 2.832 N/A SER 147.A OG ASP 590.A OD1 no hydrogen 2.539 N/A CYS 148.A N VAL 144.A O no hydrogen 3.059 N/A CYS 148.A SG SER 147.A O no hydrogen 2.969 N/A CYS 148.A SG GLN 583.A OE1 no hydrogen 3.114 N/A GLN 151.A NE2 GLY 154.A O no hydrogen 2.827 N/A GLN 151.A NE2 PRO 155.A O no hydrogen 2.474 N/A VAL 152.A N LEU 140.A O no hydrogen 3.058 N/A GLN 159.A N PRO 156.A O no hydrogen 3.243 N/A ALA 165.A N LEU 315.A O no hydrogen 2.903 N/A THR 167.A N ALA 313.A O no hydrogen 3.268 N/A THR 167.A OG1 GLY 310.A O no hydrogen 3.359 N/A THR 167.A OG1 ALA 313.A O no hydrogen 3.012 N/A HIS 169.A N GLU 166.A O no hydrogen 3.395 N/A PHE 170.A N THR 167.A O no hydrogen 2.946 N/A TYR 172.A N VAL 375.A O no hydrogen 3.119 N/A TYR 172.A OH GLU 377.A OE1 no hydrogen 3.199 N/A TYR 172.A OH GLU 377.A OE2 no hydrogen 2.301 N/A SER 173.A OG ARG 370.A O no hydrogen 3.360 N/A ARG 181.A NE GLU 367.A OE2 no hydrogen 2.354 N/A ARG 181.A NH2 GLU 367.A OE1 no hydrogen 2.715 N/A PHE 184.A N ARG 181.A O no hydrogen 3.147 N/A SER 187.A N PHE 184.A O no hydrogen 3.126 N/A SER 188.A N PHE 184.A O no hydrogen 3.151 N/A SER 188.A N LEU 185.A O no hydrogen 3.164 N/A SER 188.A OG PHE 184.A O no hydrogen 3.466 N/A SER 188.A OG LEU 185.A O no hydrogen 3.055 N/A SER 192.A OG THR 194.A OG1 no hydrogen 3.130 N/A THR 194.A OG1 SER 192.A OG no hydrogen 3.130 N/A ARG 197.A N LEU 193.A O no hydrogen 2.936 N/A ARG 198.A N THR 194.A O no hydrogen 2.916 N/A LEU 199.A N GLY 195.A O no hydrogen 2.907 N/A VAL 200.A N ALA 196.A O no hydrogen 2.921 N/A GLU 201.A N ARG 197.A O no hydrogen 2.936 N/A THR 202.A N ARG 198.A O no hydrogen 2.893 N/A THR 202.A OG1 ARG 198.A O no hydrogen 2.695 N/A ILE 203.A N LEU 199.A O no hydrogen 2.935 N/A PHE 204.A N VAL 200.A O no hydrogen 2.922 N/A GLY 213.A N TRP 210.A O no hydrogen 3.096 N/A THR 214.A N MET 211.A O no hydrogen 3.451 N/A THR 214.A OG1 PRO 215.A O no hydrogen 3.553 N/A ARG 224.A NH2 LEU 332.A O no hydrogen 3.054 N/A ARG 224.A NH2 GLU 345.A OE2 no hydrogen 2.955 N/A TRP 226.A N PRO 222.A O no hydrogen 3.041 N/A GLN 227.A N GLN 223.A O no hydrogen 2.920 N/A MET 228.A N TYR 225.A O no hydrogen 3.341 N/A ARG 229.A NE TRP 226.A O no hydrogen 2.761 N/A LEU 233.A N ARG 229.A O no hydrogen 2.896 N/A GLU 234.A N PRO 230.A O no hydrogen 2.913 N/A LEU 235.A N LEU 231.A O no hydrogen 2.921 N/A LEU 236.A N PHE 232.A O no hydrogen 2.890 N/A GLY 237.A N LEU 233.A O no hydrogen 2.941 N/A ASN 238.A N GLU 234.A O no hydrogen 2.871 N/A ASN 238.A ND2 LEU 284.A O no hydrogen 3.475 N/A HIS 239.A N LEU 235.A O no hydrogen 2.926 N/A ALA 240.A N LEU 236.A O no hydrogen 2.930 N/A GLN 241.A N ASN 238.A O no hydrogen 3.139 N/A TYR 244.A OH TYR 364.A OH no hydrogen 2.513 N/A LEU 248.A N TYR 244.A O no hydrogen 2.944 N/A LYS 249.A N GLY 245.A O no hydrogen 2.916 N/A THR 250.A N VAL 246.A O no hydrogen 2.902 N/A HIS 251.A N LEU 247.A O no hydrogen 2.927 N/A CYS 252.A N LEU 248.A O no hydrogen 2.870 N/A GLN 262.A N ARG 258.A O no hydrogen 2.942 N/A LEU 263.A N ARG 259.A O no hydrogen 2.914 N/A LEU 264.A N LEU 260.A O no hydrogen 2.901 N/A ARG 265.A N VAL 261.A O no hydrogen 2.964 N/A ARG 265.A N GLN 262.A O no hydrogen 3.267 N/A GLN 266.A N LEU 263.A O no hydrogen 3.292 N/A HIS 267.A N ARG 265.A O no hydrogen 3.135 N/A SER 268.A N PHE 387.A O no hydrogen 3.207 N/A VAL 273.A N SER 269.A O no hydrogen 3.194 N/A TYR 274.A N PRO 270.A O no hydrogen 2.919 N/A GLY 275.A N TRP 271.A O no hydrogen 2.924 N/A PHE 276.A N GLN 272.A O no hydrogen 2.959 N/A VAL 277.A N VAL 273.A O no hydrogen 2.899 N/A ARG 278.A N TYR 274.A O no hydrogen 2.876 N/A ALA 279.A N GLY 275.A O no hydrogen 2.922 N/A CYS 280.A N PHE 276.A O no hydrogen 2.977 N/A CYS 280.A SG PHE 276.A O no hydrogen 3.516 N/A LEU 281.A N VAL 277.A O no hydrogen 2.859 N/A ARG 282.A N ARG 278.A O no hydrogen 2.922 N/A ARG 283.A N CYS 280.A O no hydrogen 3.265 N/A LEU 289.A N PRO 286.A O no hydrogen 3.037 N/A TRP 290.A N PRO 286.A O no hydrogen 3.457 N/A SER 292.A OG ASP 328.A OD2 no hydrogen 3.165 N/A HIS 294.A NE2 LYS 323.A O no hydrogen 2.591 N/A ASN 295.A ND2 TRP 290.A O no hydrogen 3.386 N/A ASN 295.A ND2 SER 325.A O no hydrogen 3.287 N/A GLU 296.A N SER 292.A O no hydrogen 3.506 N/A ARG 297.A N ARG 293.A O no hydrogen 2.891 N/A ARG 298.A N HIS 294.A O no hydrogen 2.945 N/A PHE 299.A N ASN 295.A O no hydrogen 2.924 N/A LEU 300.A N GLU 296.A O no hydrogen 2.931 N/A ARG 301.A N ARG 297.A O no hydrogen 2.934 N/A ASN 302.A N ARG 298.A O no hydrogen 2.958 N/A THR 303.A N PHE 299.A O no hydrogen 2.876 N/A THR 303.A OG1 PHE 299.A O no hydrogen 3.148 N/A LYS 304.A N LEU 300.A O no hydrogen 2.930 N/A LYS 305.A N ARG 301.A O no hydrogen 2.965 N/A LYS 305.A NZ GLU 319.A OE2 no hydrogen 2.405 N/A PHE 306.A N ASN 302.A O no hydrogen 2.875 N/A ILE 307.A N THR 303.A O no hydrogen 2.923 N/A SER 308.A OG SER 308.A O no hydrogen 2.459 N/A LYS 311.A N ASN 383.A O no hydrogen 3.203 N/A LEU 315.A N ALA 165.A O no hydrogen 2.902 N/A LEU 317.A N VAL 163.A O no hydrogen 2.948 N/A GLU 319.A N SER 316.A O no hydrogen 2.909 N/A LEU 320.A N LEU 317.A O no hydrogen 2.854 N/A THR 321.A N LEU 317.A O no hydrogen 3.057 N/A SER 325.A N ASN 295.A OD1 no hydrogen 3.364 N/A SER 325.A OG ASP 328.A OD2 no hydrogen 2.482 N/A CYS 329.A N VAL 326.A O no hydrogen 3.060 N/A CYS 329.A SG SER 325.A O no hydrogen 3.799 N/A ARG 333.A N ALA 330.A O no hydrogen 3.016 N/A ARG 333.A NH2 ARG 327.A O no hydrogen 3.301 N/A ARG 347.A N ALA 343.A O no hydrogen 2.925 N/A LEU 348.A N ALA 344.A O no hydrogen 2.938 N/A ARG 349.A N GLU 345.A O no hydrogen 2.937 N/A ARG 349.A NE GLU 345.A OE2 no hydrogen 2.392 N/A GLU 350.A N HIS 346.A O no hydrogen 2.924 N/A GLU 351.A N ARG 347.A O no hydrogen 2.924 N/A ILE 352.A N LEU 348.A O no hydrogen 2.977 N/A LEU 353.A N ARG 349.A O no hydrogen 2.968 N/A ALA 354.A N GLU 350.A O no hydrogen 2.906 N/A LYS 355.A N GLU 351.A O no hydrogen 2.941 N/A LYS 355.A NZ PHE 204.A O no hydrogen 3.262 N/A PHE 356.A N ILE 352.A O no hydrogen 3.008 N/A LEU 357.A N LEU 353.A O no hydrogen 2.947 N/A HIS 358.A N ALA 354.A O no hydrogen 2.911 N/A TRP 359.A N LYS 355.A O no hydrogen 2.949 N/A LEU 360.A N PHE 356.A O no hydrogen 2.960 N/A MET 361.A N LEU 357.A O no hydrogen 2.953 N/A SER 362.A N HIS 358.A O no hydrogen 2.916 N/A SER 362.A OG HIS 358.A O no hydrogen 2.747 N/A VAL 363.A N LEU 360.A O no hydrogen 3.438 N/A TYR 364.A N LEU 360.A O no hydrogen 2.944 N/A TYR 364.A OH TYR 244.A OH no hydrogen 2.513 N/A VAL 365.A N LEU 360.A O no hydrogen 3.489 N/A GLU 367.A N VAL 363.A O no hydrogen 2.902 N/A LEU 368.A N TYR 364.A O no hydrogen 2.891 N/A LEU 369.A N VAL 365.A O no hydrogen 2.915 N/A LEU 369.A N VAL 366.A O no hydrogen 3.264 N/A ARG 370.A N VAL 366.A O no hydrogen 2.894 N/A ARG 370.A NH2 HIS 169.A O no hydrogen 3.469 N/A SER 371.A N GLU 367.A O no hydrogen 2.931 N/A SER 371.A OG GLU 367.A O no hydrogen 2.925 N/A PHE 373.A N LEU 369.A O no hydrogen 3.137 N/A TYR 374.A N TYR 388.A O no hydrogen 2.843 N/A THR 376.A N PHE 386.A O no hydrogen 2.952 N/A THR 376.A OG1 GLU 377.A O no hydrogen 3.535 N/A GLU 377.A N GLU 377.A OE2 no hydrogen 2.703 N/A THR 378.A OG1 GLN 381.A O no hydrogen 3.153 N/A THR 379.A OG1 PRO 437.A O no hydrogen 3.222 N/A GLN 381.A N THR 378.A OG1 no hydrogen 3.339 N/A ASN 383.A N ALA 758.A O no hydrogen 3.095 N/A PHE 386.A N THR 376.A O no hydrogen 2.874 N/A TYR 388.A N TYR 374.A O no hydrogen 2.936 N/A TYR 388.A OH LEU 264.A O no hydrogen 2.734 N/A ARG 389.A NE GLU 178.A OE1 no hydrogen 3.421 N/A ARG 389.A NH1 GLU 178.A OE1 no hydrogen 3.355 N/A ARG 389.A NH1 GLU 178.A OE2 no hydrogen 3.080 N/A ARG 389.A NH2 CYS 252.A O no hydrogen 3.010 N/A LYS 390.A N PHE 372.A O no hydrogen 3.282 N/A LYS 390.A NZ SER 174.A O no hydrogen 2.686 N/A LYS 390.A NZ ARG 370.A O no hydrogen 3.448 N/A TRP 393.A N ARG 389.A O no hydrogen 2.891 N/A SER 394.A N LYS 390.A O no hydrogen 2.881 N/A LYS 395.A N SER 391.A O no hydrogen 2.973 N/A LEU 396.A N VAL 392.A O no hydrogen 2.890 N/A LEU 396.A N TRP 393.A O no hydrogen 3.187 N/A GLN 397.A N TRP 393.A O no hydrogen 2.845 N/A GLN 397.A N SER 394.A O no hydrogen 3.203 N/A SER 398.A N SER 394.A O no hydrogen 2.984 N/A SER 398.A OG SER 394.A O no hydrogen 2.958 N/A ILE 401.A N GLN 397.A O no hydrogen 2.931 N/A ARG 402.A N SER 398.A O no hydrogen 2.944 N/A GLN 403.A N ILE 399.A O no hydrogen 2.914 N/A HIS 404.A N GLY 400.A O no hydrogen 2.954 N/A LEU 405.A N ILE 401.A O no hydrogen 2.908 N/A LEU 405.A N ARG 402.A O no hydrogen 3.271 N/A LYS 406.A N GLN 403.A O no hydrogen 3.228 N/A ARG 407.A N GLN 403.A O no hydrogen 2.944 N/A ARG 407.A NE ASP 520.A OD2 no hydrogen 3.089 N/A LEU 410.A N LEU 405.A O no hydrogen 3.204 N/A ARG 411.A N VAL 628.A O no hydrogen 2.872 N/A LEU 413.A N SER 626.A O no hydrogen 3.003 N/A SER 414.A N GLU 417.A OE2 no hydrogen 2.544 N/A SER 414.A OG GLU 417.A OE2 no hydrogen 3.056 N/A VAL 418.A N SER 414.A O no hydrogen 2.759 N/A ARG 419.A N GLU 415.A O no hydrogen 2.926 N/A GLN 420.A N ALA 416.A O no hydrogen 2.891 N/A HIS 421.A N GLU 417.A O no hydrogen 2.888 N/A ARG 422.A N VAL 418.A O no hydrogen 2.912 N/A THR 430.A OG1 ASP 449.A OD2 no hydrogen 3.042 N/A SER 431.A OG ARG 432.A O no hydrogen 3.455 N/A SER 431.A OG ASN 447.A O no hydrogen 2.261 N/A ARG 432.A N ASN 447.A O no hydrogen 2.916 N/A LEU 433.A N ARG 621.A O no hydrogen 3.344 N/A ARG 434.A N ILE 445.A O no hydrogen 2.930 N/A ILE 436.A N ARG 443.A O no hydrogen 2.920 N/A LYS 438.A N GLY 441.A O no hydrogen 2.921 N/A ARG 443.A N ILE 436.A O no hydrogen 2.891 N/A ASN 447.A N ARG 432.A O no hydrogen 2.915 N/A ARG 459.A N ARG 455.A O no hydrogen 2.924 N/A VAL 460.A N LEU 456.A O no hydrogen 2.913 N/A LYS 461.A N THR 457.A O no hydrogen 2.944 N/A ALA 462.A N SER 458.A O no hydrogen 2.869 N/A LEU 463.A N ARG 459.A O no hydrogen 2.937 N/A PHE 464.A N VAL 460.A O no hydrogen 2.904 N/A SER 465.A N LYS 461.A O no hydrogen 2.912 N/A SER 465.A OG LYS 461.A O no hydrogen 3.176 N/A SER 465.A OG ALA 462.A O no hydrogen 2.578 N/A VAL 466.A N ALA 462.A O no hydrogen 2.938 N/A LEU 467.A N LEU 463.A O no hydrogen 2.926 N/A ASN 468.A N PHE 464.A O no hydrogen 2.910 N/A TYR 469.A N SER 465.A O no hydrogen 2.923 N/A GLU 470.A N VAL 466.A O no hydrogen 2.968 N/A ARG 471.A N LEU 467.A O no hydrogen 2.892 N/A ALA 472.A N ASN 468.A O no hydrogen 2.912 N/A ARG 473.A N TYR 469.A O no hydrogen 2.907 N/A LEU 477.A N ARG 474.A O no hydrogen 3.449 N/A GLY 479.A N GLY 476.A O no hydrogen 3.397 N/A ALA 480.A N GLU 652.A OE1 no hydrogen 2.549 N/A SER 481.A N LEU 478.A O no hydrogen 3.138 N/A SER 481.A OG LEU 478.A O no hydrogen 2.402 N/A VAL 482.A N ARG 667.A O no hydrogen 2.816 N/A LEU 483.A N ASP 487.A OD2 no hydrogen 3.450 N/A ASP 487.A N ASP 486.A OD2 no hydrogen 2.775 N/A HIS 489.A N LEU 485.A O no hydrogen 2.912 N/A HIS 489.A NE2 ASP 790.A OD2 no hydrogen 3.303 N/A ARG 490.A N ASP 486.A O no hydrogen 2.895 N/A ALA 491.A N ASP 487.A O no hydrogen 2.992 N/A TRP 492.A N ILE 488.A O no hydrogen 2.864 N/A TRP 492.A NE1 LEU 742.A O no hydrogen 3.175 N/A ARG 493.A N HIS 489.A O no hydrogen 2.892 N/A THR 494.A N ARG 490.A O no hydrogen 3.014 N/A THR 494.A OG1 ARG 490.A O no hydrogen 3.289 N/A PHE 495.A N ALA 491.A O no hydrogen 2.947 N/A VAL 496.A N TRP 492.A O no hydrogen 2.861 N/A LEU 497.A N ARG 493.A O no hydrogen 2.936 N/A ARG 498.A N THR 494.A O no hydrogen 2.955 N/A VAL 499.A N PHE 495.A O no hydrogen 2.850 N/A ARG 500.A N VAL 496.A O no hydrogen 2.847 N/A ARG 500.A NH1 THR 741.A O no hydrogen 3.550 N/A ARG 500.A NH1 VAL 793.A O no hydrogen 3.099 N/A TYR 509.A N THR 676.A O no hydrogen 2.897 N/A VAL 511.A N LEU 674.A O no hydrogen 2.925 N/A LYS 512.A N VAL 706.A O no hydrogen 3.231 N/A LYS 512.A NZ PRO 731.A O no hydrogen 3.222 N/A VAL 513.A N PHE 672.A O no hydrogen 2.910 N/A THR 516.A N VAL 699.A O no hydrogen 3.026 N/A TYR 519.A OH THR 641.A OG1 no hydrogen 3.411 N/A ASP 520.A N GLY 517.A O no hydrogen 2.889 N/A THR 521.A N GLY 517.A O no hydrogen 3.093 N/A THR 521.A OG1 THR 521.A O no hydrogen 2.460 N/A THR 521.A OG1 GLY 697.A O no hydrogen 2.966 N/A GLN 524.A NE2 GLN 629.A O no hydrogen 3.355 N/A LEU 527.A N PRO 523.A O no hydrogen 3.453 N/A THR 528.A N GLN 524.A O no hydrogen 2.896 N/A THR 528.A OG1 GLN 524.A O no hydrogen 3.244 N/A GLU 529.A N ASP 525.A O no hydrogen 2.898 N/A VAL 530.A N ARG 526.A O no hydrogen 2.931 N/A ILE 531.A N LEU 527.A O no hydrogen 2.935 N/A ALA 532.A N THR 528.A O no hydrogen 2.887 N/A SER 533.A N GLU 529.A O no hydrogen 2.922 N/A SER 533.A OG GLU 529.A O no hydrogen 2.982 N/A ILE 534.A N VAL 530.A O no hydrogen 2.942 N/A ILE 535.A N ILE 531.A O no hydrogen 2.909 N/A LYS 536.A NZ SER 533.A O no hydrogen 3.189 N/A THR 540.A OG1 ASN 539.A O no hydrogen 2.706 N/A TYR 541.A N GLU 602.A O no hydrogen 3.305 N/A TYR 541.A OH GLU 470.A OE2 no hydrogen 2.636 N/A CYS 542.A N SER 566.A O no hydrogen 2.901 N/A CYS 542.A SG LEU 600.A O no hydrogen 3.756 N/A VAL 543.A N SER 599.A O no hydrogen 3.145 N/A ARG 544.A N HIS 564.A O no hydrogen 2.871 N/A ARG 544.A NH1 GLN 572.A O no hydrogen 3.277 N/A ARG 544.A NH2 GLN 572.A O no hydrogen 2.797 N/A ARG 544.A NH2 PRO 573.A O no hydrogen 3.565 N/A TYR 546.A N LYS 562.A O no hydrogen 3.523 N/A ALA 547.A N ILE 594.A O no hydrogen 2.970 N/A VAL 548.A N ALA 560.A O no hydrogen 2.888 N/A VAL 549.A N VAL 592.A O no hydrogen 2.941 N/A GLN 550.A N ARG 558.A O no hydrogen 2.911 N/A ALA 553.A N HIS 556.A O no hydrogen 2.811 N/A ARG 558.A N GLN 550.A O no hydrogen 2.898 N/A ALA 560.A N VAL 548.A O no hydrogen 2.921 N/A HIS 564.A N ARG 544.A O no hydrogen 2.930 N/A SER 566.A N CYS 542.A O no hydrogen 2.911 N/A THR 569.A OG1 ASP 570.A OD1 no hydrogen 3.418 N/A ASP 570.A N THR 567.A O no hydrogen 3.239 N/A VAL 579.A N MET 575.A O no hydrogen 2.906 N/A ALA 580.A N ARG 576.A O no hydrogen 2.947 N/A HIS 581.A N GLN 577.A O no hydrogen 2.868 N/A LEU 582.A N PHE 578.A O no hydrogen 2.898 N/A GLN 583.A N VAL 579.A O no hydrogen 2.912 N/A GLN 583.A NE2 ALA 145.A O no hydrogen 2.297 N/A GLU 584.A N ALA 580.A O no hydrogen 2.914 N/A GLU 584.A N HIS 581.A O no hydrogen 3.253 N/A THR 585.A N HIS 581.A O no hydrogen 2.912 N/A THR 585.A OG1 HIS 581.A O no hydrogen 3.076 N/A SER 586.A N LEU 582.A O no hydrogen 2.945 N/A ASP 590.A N SER 147.A OG no hydrogen 3.232 N/A VAL 592.A N VAL 549.A O no hydrogen 3.140 N/A VAL 593.A N ALA 149.A O no hydrogen 2.695 N/A ILE 594.A N ALA 547.A O no hydrogen 2.967 N/A GLN 596.A N ARG 545.A O no hydrogen 3.074 N/A SER 597.A N ARG 545.A O no hydrogen 3.309 N/A SER 599.A OG GLU 602.A OE2 no hydrogen 3.504 N/A SER 604.A OG LYS 536.A O no hydrogen 2.685 N/A GLY 606.A N ALA 603.A O no hydrogen 3.121 N/A PHE 608.A N SER 604.A O no hydrogen 2.918 N/A ASP 609.A N SER 605.A O no hydrogen 2.889 N/A VAL 610.A N GLY 606.A O no hydrogen 2.902 N/A PHE 611.A N LEU 607.A O no hydrogen 2.935 N/A LEU 612.A N PHE 608.A O no hydrogen 2.918 N/A ARG 613.A N ASP 609.A O no hydrogen 2.886 N/A ARG 613.A NH1 ASP 609.A OD2 no hydrogen 3.311 N/A PHE 614.A N VAL 610.A O no hydrogen 2.922 N/A MET 615.A N PHE 611.A O no hydrogen 2.921 N/A CYS 616.A N LEU 612.A O no hydrogen 2.888 N/A HIS 617.A N ARG 613.A O no hydrogen 3.243 N/A VAL 620.A N TYR 627.A O no hydrogen 2.911 N/A ARG 621.A N SER 431.A O no hydrogen 2.803 N/A ARG 621.A NH1 ASP 449.A OD2 no hydrogen 2.807 N/A ARG 621.A NH2 ASP 449.A OD1 no hydrogen 3.370 N/A ILE 622.A N LYS 625.A O no hydrogen 2.885 N/A LYS 625.A N ILE 622.A O no hydrogen 2.910 N/A TYR 627.A N VAL 620.A O no hydrogen 2.872 N/A VAL 628.A N ARG 411.A O no hydrogen 2.933 N/A GLN 631.A NE2 ASP 520.A O no hydrogen 3.529 N/A GLY 632.A N ILE 522.A O no hydrogen 3.136 N/A ILE 633.A N TYR 519.A O no hydrogen 2.747 N/A ILE 638.A N SER 637.A OG no hydrogen 2.645 N/A SER 640.A OG GLN 635.A O no hydrogen 3.312 N/A THR 641.A OG1 TYR 519.A OH no hydrogen 3.411 N/A LEU 643.A N LEU 639.A O no hydrogen 3.004 N/A CYS 644.A N SER 640.A O no hydrogen 2.957 N/A SER 645.A N THR 641.A O no hydrogen 2.902 N/A SER 645.A OG THR 641.A O no hydrogen 2.939 N/A LEU 646.A N LEU 642.A O no hydrogen 2.903 N/A CYS 647.A N LEU 643.A O no hydrogen 2.947 N/A TYR 648.A N CYS 644.A O no hydrogen 2.989 N/A GLY 649.A N SER 645.A O no hydrogen 2.836 N/A ASP 650.A N LEU 646.A O no hydrogen 2.922 N/A MET 651.A N CYS 647.A O no hydrogen 2.996 N/A GLU 652.A N TYR 648.A O no hydrogen 2.925 N/A ASN 653.A N GLY 649.A O no hydrogen 2.854 N/A ASN 653.A ND2 GLY 476.A O no hydrogen 2.587 N/A LYS 654.A N ASP 650.A O no hydrogen 2.998 N/A LEU 655.A N MET 651.A O no hydrogen 2.922 N/A ARG 661.A N GLY 658.A O no hydrogen 3.245 N/A LEU 664.A N VAL 675.A O no hydrogen 2.903 N/A LEU 666.A N LEU 673.A O no hydrogen 2.880 N/A ARG 667.A NE GLU 652.A OE2 no hydrogen 3.357 N/A ARG 667.A NH1 SER 645.A O no hydrogen 3.555 N/A ARG 667.A NH1 GLU 652.A OE1 no hydrogen 3.471 N/A ARG 667.A NH2 VAL 669.A O no hydrogen 3.009 N/A PHE 672.A N VAL 513.A O no hydrogen 2.902 N/A LEU 673.A N LEU 666.A O no hydrogen 2.883 N/A LEU 674.A N VAL 511.A O no hydrogen 2.899 N/A VAL 675.A N LEU 664.A O no hydrogen 2.907 N/A THR 676.A N TYR 509.A O no hydrogen 2.936 N/A HIS 678.A N THR 676.A OG1 no hydrogen 3.402 N/A HIS 678.A NE2 ASP 662.A OD2 no hydrogen 2.512 N/A ALA 682.A N HIS 678.A O no hydrogen 3.282 N/A LYS 683.A N LEU 679.A O no hydrogen 2.935 N/A THR 684.A N THR 680.A O no hydrogen 2.927 N/A THR 684.A OG1 THR 680.A O no hydrogen 3.240 N/A THR 684.A OG1 HIS 681.A O no hydrogen 2.629 N/A PHE 685.A N HIS 681.A O no hydrogen 2.906 N/A LEU 686.A N ALA 682.A O no hydrogen 2.927 N/A ARG 687.A N LYS 683.A O no hydrogen 2.897 N/A ARG 687.A NH1 ASP 713.A OD2 no hydrogen 3.020 N/A THR 688.A N THR 684.A O no hydrogen 2.885 N/A THR 688.A OG1 THR 684.A O no hydrogen 2.732 N/A LEU 689.A N PHE 685.A O no hydrogen 2.995 N/A VAL 690.A N LEU 686.A O no hydrogen 2.904 N/A ARG 691.A N ARG 687.A O no hydrogen 2.919 N/A GLY 692.A N THR 688.A O no hydrogen 3.331 N/A GLY 692.A N LEU 689.A O no hydrogen 3.155 N/A VAL 693.A N CYS 698.A O no hydrogen 3.290 N/A TYR 696.A OH ASP 650.A OD2 no hydrogen 3.207 N/A GLY 697.A N PRO 694.A O no hydrogen 3.196 N/A ASN 701.A N ASP 514.A O no hydrogen 3.056 N/A ARG 703.A N ASN 701.A OD1 no hydrogen 3.394 N/A THR 705.A OG1 LYS 512.A O no hydrogen 2.735 N/A VAL 707.A N VAL 722.A O no hydrogen 2.939 N/A ASN 708.A ND2 ALA 726.A O no hydrogen 3.335 N/A ALA 715.A N ASP 713.A OD1 no hydrogen 2.960 N/A LEU 716.A N ASP 713.A O no hydrogen 3.289 N/A GLY 717.A N ASP 713.A O no hydrogen 3.257 N/A VAL 722.A N THR 705.A O no hydrogen 2.900 N/A MET 724.A N VAL 707.A O no hydrogen 3.431 N/A PHE 730.A N LEU 737.A O no hydrogen 2.882 N/A TRP 732.A N LEU 735.A O no hydrogen 2.898 N/A CYS 733.A SG ASP 671.A OD2 no hydrogen 3.398 N/A LEU 735.A N TRP 732.A O no hydrogen 2.903 N/A LEU 736.A N GLN 745.A O no hydrogen 2.874 N/A LEU 737.A N PHE 730.A O no hydrogen 2.906 N/A ASP 738.A N GLU 743.A O no hydrogen 2.841 N/A THR 739.A N GLY 728.A O no hydrogen 3.035 N/A THR 739.A OG1 GLY 728.A O no hydrogen 2.604 N/A ARG 740.A N ASP 738.A OD2 no hydrogen 2.715 N/A THR 741.A N ASP 738.A OD2 no hydrogen 2.610 N/A THR 741.A OG1 THR 741.A O no hydrogen 2.531 N/A LEU 742.A N ASP 738.A O no hydrogen 2.905 N/A VAL 744.A N ASN 794.A OD1 no hydrogen 2.842 N/A GLN 745.A N LEU 736.A O no hydrogen 2.907 N/A SER 749.A OG ASP 928.A OD1 no hydrogen 3.146 N/A TYR 751.A N TYR 748.A O no hydrogen 3.174 N/A ARG 753.A N THR 931.A O no hydrogen 3.458 N/A SER 755.A OG ASP 934.A O no hydrogen 3.013 N/A ARG 757.A NH2 SER 308.A O no hydrogen 2.829 N/A ALA 758.A N SER 755.A O no hydrogen 3.121 N/A SER 759.A N ILE 756.A O no hydrogen 2.984 N/A SER 759.A OG ILE 756.A O no hydrogen 2.838 N/A ARG 764.A NH1 PHE 762.A O no hydrogen 3.543 N/A ASN 771.A N LYS 767.A O no hydrogen 3.099 N/A MET 772.A N ALA 768.A O no hydrogen 2.903 N/A ARG 773.A N GLY 769.A O no hydrogen 2.997 N/A ARG 773.A NH1 ASP 840.A OD2 no hydrogen 3.535 N/A ARG 773.A NH2 ASP 840.A OD2 no hydrogen 3.087 N/A ARG 774.A N ARG 770.A O no hydrogen 2.952 N/A LYS 775.A N ASN 771.A O no hydrogen 2.969 N/A LEU 776.A N MET 772.A O no hydrogen 3.029 N/A PHE 777.A N ARG 773.A O no hydrogen 3.138 N/A GLY 778.A N ARG 774.A O no hydrogen 3.118 N/A VAL 779.A N LYS 775.A O no hydrogen 3.056 N/A LEU 780.A N LEU 776.A O no hydrogen 2.945 N/A ARG 781.A N PHE 777.A O no hydrogen 2.925 N/A LEU 782.A N GLY 778.A O no hydrogen 2.926 N/A LYS 783.A N VAL 779.A O no hydrogen 2.950 N/A LYS 783.A N LEU 780.A O no hydrogen 3.140 N/A CYS 784.A N LEU 780.A O no hydrogen 3.093 N/A CYS 784.A SG LEU 780.A O no hydrogen 3.775 N/A HIS 785.A N LYS 783.A O no hydrogen 2.576 N/A LEU 787.A N HIS 785.A ND1 no hydrogen 3.177 N/A LEU 791.A N ASN 853.A OD1 no hydrogen 3.298 N/A VAL 793.A N ASP 790.A O no hydrogen 3.352 N/A ASN 794.A N ASP 790.A O no hydrogen 3.177 N/A ASN 794.A ND2 LEU 787.A O no hydrogen 2.878 N/A ASN 794.A ND2 ASP 790.A O no hydrogen 3.132 N/A SER 795.A N GLU 743.A OE2 no hydrogen 2.753 N/A SER 795.A OG GLU 743.A OE2 no hydrogen 2.504 N/A GLN 797.A NE2 ALA 916.A O no hydrogen 3.027 N/A THR 798.A OG1 GLU 743.A OE1 no hydrogen 3.033 N/A VAL 799.A N SER 795.A O no hydrogen 3.282 N/A CYS 800.A N LEU 796.A O no hydrogen 2.948 N/A CYS 800.A SG LEU 796.A O no hydrogen 3.722 N/A THR 801.A N GLN 797.A O no hydrogen 2.918 N/A THR 801.A OG1 GLN 797.A O no hydrogen 3.292 N/A THR 801.A OG1 ALA 920.A O no hydrogen 3.088 N/A ASN 802.A N THR 798.A O no hydrogen 2.927 N/A ASN 802.A ND2 VAL 744.A O no hydrogen 3.355 N/A ASN 802.A ND2 PHE 788.A O no hydrogen 3.519 N/A ILE 803.A N VAL 799.A O no hydrogen 2.909 N/A TYR 804.A N CYS 800.A O no hydrogen 2.944 N/A TYR 804.A OH ALA 924.A O no hydrogen 3.331 N/A LYS 805.A N THR 801.A O no hydrogen 2.954 N/A ILE 806.A N ASN 802.A O no hydrogen 2.941 N/A LEU 807.A N ILE 803.A O no hydrogen 2.927 N/A LEU 808.A N TYR 804.A O no hydrogen 2.934 N/A LEU 809.A N LYS 805.A O no hydrogen 3.004 N/A GLN 810.A N ILE 806.A O no hydrogen 2.908 N/A GLN 810.A NE2 LEU 776.A O no hydrogen 3.015 N/A ALA 811.A N LEU 807.A O no hydrogen 2.908 N/A TYR 812.A N LEU 808.A O no hydrogen 3.004 N/A ARG 813.A N LEU 809.A O no hydrogen 2.948 N/A ARG 813.A NH1 GLN 810.A OE1 no hydrogen 3.500 N/A PHE 814.A N GLN 810.A O no hydrogen 2.871 N/A HIS 815.A N ALA 811.A O no hydrogen 2.980 N/A HIS 815.A ND1 TYR 891.A OH no hydrogen 2.315 N/A ALA 816.A N TYR 812.A O no hydrogen 2.967 N/A CYS 817.A N ARG 813.A O no hydrogen 2.917 N/A CYS 817.A N PHE 814.A O no hydrogen 3.262 N/A VAL 818.A N PHE 814.A O no hydrogen 2.874 N/A LEU 819.A N HIS 815.A O no hydrogen 3.032 N/A GLN 820.A N CYS 817.A O no hydrogen 3.363 N/A LEU 821.A N VAL 818.A O no hydrogen 3.384 N/A LYS 829.A N GLN 826.A O no hydrogen 3.200 N/A ASN 830.A N VAL 827.A O no hydrogen 3.439 N/A THR 832.A OG1 ASN 830.A OD1 no hydrogen 3.066 N/A LEU 835.A N PRO 831.A O no hydrogen 2.985 N/A ARG 836.A N THR 832.A O no hydrogen 2.888 N/A VAL 837.A N PHE 833.A O no hydrogen 2.951 N/A ILE 838.A N PHE 834.A O no hydrogen 2.978 N/A SER 839.A N LEU 835.A O no hydrogen 2.941 N/A SER 839.A OG LEU 835.A O no hydrogen 3.196 N/A SER 839.A OG ARG 836.A O no hydrogen 3.015 N/A SER 839.A OG ASP 840.A OD1 no hydrogen 3.559 N/A ASP 840.A N ARG 836.A O no hydrogen 2.877 N/A ASP 840.A N VAL 837.A O no hydrogen 3.172 N/A THR 841.A N ILE 838.A O no hydrogen 2.851 N/A THR 841.A OG1 VAL 837.A O no hydrogen 3.066 N/A ALA 842.A N ILE 838.A O no hydrogen 3.123 N/A SER 843.A OG SER 839.A O no hydrogen 3.213 N/A LEU 844.A N ASP 840.A O no hydrogen 3.283 N/A SER 847.A N SER 843.A O no hydrogen 3.265 N/A ILE 848.A N LEU 844.A O no hydrogen 3.097 N/A LEU 849.A N CYS 845.A O no hydrogen 2.820 N/A LYS 850.A N TYR 846.A O no hydrogen 2.703 N/A LYS 850.A NZ TYR 846.A OH no hydrogen 2.764 N/A ALA 851.A N SER 847.A O no hydrogen 3.170 N/A LYS 852.A N ILE 848.A O no hydrogen 2.967 N/A ASN 853.A ND2 LEU 789.A O no hydrogen 3.337 N/A LEU 867.A N LEU 858.A O no hydrogen 3.192 N/A ALA 871.A N PRO 868.A O no hydrogen 3.322 N/A LEU 875.A N ALA 871.A O no hydrogen 2.944 N/A CYS 876.A N VAL 872.A O no hydrogen 2.855 N/A CYS 876.A SG ILE 838.A O no hydrogen 4.014 N/A HIS 877.A N GLN 873.A O no hydrogen 2.942 N/A HIS 877.A ND1 GLN 873.A O no hydrogen 2.450 N/A GLN 878.A N TRP 874.A O no hydrogen 2.915 N/A ALA 879.A N LEU 875.A O no hydrogen 2.916 N/A PHE 880.A N CYS 876.A O no hydrogen 2.948 N/A LEU 881.A N HIS 877.A O no hydrogen 2.867 N/A LEU 882.A N GLN 878.A O no hydrogen 2.940 N/A LYS 883.A N ALA 879.A O no hydrogen 2.974 N/A LEU 884.A N PHE 880.A O no hydrogen 2.864 N/A THR 885.A OG1 LEU 881.A O no hydrogen 2.206 N/A ARG 886.A N LYS 883.A O no hydrogen 3.407 N/A TYR 891.A N ARG 888.A O no hydrogen 2.997 N/A TYR 891.A OH HIS 815.A ND1 no hydrogen 2.315 N/A LEU 894.A N TYR 891.A O no hydrogen 3.183 N/A LEU 898.A N LEU 894.A O no hydrogen 2.979 N/A ARG 899.A N LEU 895.A O no hydrogen 2.876 N/A THR 900.A N GLY 896.A O no hydrogen 2.947 N/A THR 900.A OG1 GLY 896.A O no hydrogen 3.067 N/A ALA 901.A N SER 897.A O no hydrogen 2.927 N/A GLN 902.A N LEU 898.A O no hydrogen 2.943 N/A GLN 902.A NE2 GLN 878.A OE1 no hydrogen 2.817 N/A THR 903.A N ARG 899.A O no hydrogen 2.907 N/A THR 903.A OG1 ARG 899.A O no hydrogen 3.068 N/A GLN 904.A N THR 900.A O no hydrogen 2.942 N/A LEU 905.A N ALA 901.A O no hydrogen 2.918 N/A SER 906.A N GLN 902.A O no hydrogen 2.915 N/A SER 906.A OG THR 903.A O no hydrogen 2.934 N/A ARG 907.A N GLN 904.A O no hydrogen 3.339 N/A ARG 907.A NH1 GLN 904.A OE1 no hydrogen 2.954 N/A LYS 908.A N LEU 905.A O no hydrogen 3.201 N/A LEU 914.A N PRO 910.A O no hydrogen 2.862 N/A THR 915.A N GLY 911.A O no hydrogen 2.910 N/A THR 915.A OG1 GLY 911.A O no hydrogen 3.006 N/A ALA 916.A N THR 912.A O no hydrogen 2.947 N/A LEU 917.A N THR 913.A O no hydrogen 2.896 N/A GLU 918.A N LEU 914.A O no hydrogen 2.903 N/A ALA 919.A N THR 915.A O no hydrogen 2.934 N/A ALA 920.A N ALA 916.A O no hydrogen 2.924 N/A ALA 920.A N LEU 917.A O no hydrogen 3.102 N/A ALA 921.A N GLU 918.A O no hydrogen 3.118 N/A PHE 929.A N PRO 926.A O no hydrogen 2.821 N/A ILE 932.A N PHE 929.A O no hydrogen 2.978 N/A LEU 933.A N THR 754.A O no hydrogen 3.338 N/A