Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7qe0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ILE 194.A O no hydrogen 2.854 N/A VAL 6.A N ILE 4.A O no hydrogen 3.000 N/A THR 9.A N ASP 7.A OD2 no hydrogen 2.842 N/A SER 10.A N ASP 7.A OD2 no hydrogen 2.388 N/A SER 10.A OG ASP 7.A OD2 no hydrogen 2.741 N/A TYR 16.A OH GLU 29.A OE2 no hydrogen 2.274 N/A ALA 23.A N TYR 63.A OH no hydrogen 2.808 N/A TRP 26.A NE1 GLU 62.A OE1 no hydrogen 2.703 N/A GLN 34.A NE2 GLY 56.A O no hydrogen 2.990 N/A LYS 35.A N ASP 31.A O no hydrogen 2.901 N/A GLN 36.A N VAL 32.A O no hydrogen 2.885 N/A GLN 36.A NE2 ASP 7.A O no hydrogen 2.900 N/A ALA 37.A N PHE 33.A O no hydrogen 2.914 N/A ILE 38.A N GLN 34.A O no hydrogen 2.950 N/A LEU 39.A N LYS 35.A O no hydrogen 2.841 N/A HIS 40.A N GLN 36.A O no hydrogen 2.946 N/A LEU 41.A N ALA 37.A O no hydrogen 2.898 N/A GLU 42.A N ILE 38.A O no hydrogen 2.904 N/A ARG 43.A NH2 HIS 40.A ND1 no hydrogen 3.087 N/A ASP 45.A N HIS 40.A O no hydrogen 3.201 N/A PHE 48.A N TYR 195.A O no hydrogen 2.815 N/A ALA 50.A N ILE 197.A O no hydrogen 2.858 N/A SER 54.A OG ASN 373.A OD1 no hydrogen 3.281 N/A GLY 56.A N THR 53.A O no hydrogen 3.188 N/A LYS 57.A NZ SER 173.A O no hydrogen 2.749 N/A ALA 61.A N LYS 57.A O no hydrogen 2.986 N/A GLU 62.A N THR 58.A O no hydrogen 2.921 N/A TYR 63.A N VAL 59.A O no hydrogen 2.904 N/A TYR 63.A OH GLU 42.A OE2 no hydrogen 2.328 N/A ALA 64.A N VAL 60.A O no hydrogen 2.959 N/A ALA 66.A N GLU 62.A O no hydrogen 2.941 N/A LEU 67.A N TYR 63.A O no hydrogen 2.974 N/A ALA 68.A N ALA 64.A O no hydrogen 2.894 N/A GLN 69.A N ILE 65.A O no hydrogen 2.812 N/A LYS 70.A N ALA 66.A O no hydrogen 2.946 N/A HIS 71.A N LEU 67.A O no hydrogen 3.158 N/A THR 73.A OG1 ALA 68.A O no hydrogen 3.173 N/A THR 75.A N SER 113.A O no hydrogen 3.204 N/A THR 75.A OG1 TRP 138.A O no hydrogen 3.107 N/A ILE 76.A N TRP 138.A O no hydrogen 3.216 N/A TYR 77.A N LEU 115.A O no hydrogen 3.286 N/A THR 78.A N ILE 140.A O no hydrogen 3.299 N/A SER 79.A N MET 117.A O no hydrogen 3.206 N/A SER 85.A OG LYS 82.A O no hydrogen 3.231 N/A GLN 87.A N GLN 87.A OE1 no hydrogen 2.548 N/A GLN 87.A NE2 GLY 371.A O no hydrogen 3.357 N/A ARG 90.A N ASN 86.A O no hydrogen 2.882 N/A ASP 91.A N GLN 87.A O no hydrogen 2.924 N/A PHE 92.A N LYS 88.A O no hydrogen 2.919 N/A ARG 93.A N PHE 89.A O no hydrogen 2.912 N/A ARG 93.A NH1 HIS 109.A ND1 no hydrogen 3.008 N/A ASN 94.A N ARG 90.A O no hydrogen 2.894 N/A THR 95.A N ASP 91.A O no hydrogen 2.925 N/A THR 95.A OG1 ASP 91.A O no hydrogen 2.337 N/A PHE 96.A N PHE 92.A O no hydrogen 3.232 N/A ASP 98.A N ASP 98.A OD1 no hydrogen 2.502 N/A LEU 101.A N LEU 108.A O no hydrogen 2.856 N/A LEU 102.A N ILE 116.A O no hydrogen 2.829 N/A THR 103.A N VAL 106.A O no hydrogen 2.977 N/A VAL 106.A N THR 103.A OG1 no hydrogen 3.256 N/A ILE 116.A N GLY 100.A O no hydrogen 2.803 N/A MET 117.A N TYR 77.A O no hydrogen 2.967 N/A ILE 121.A N THR 118.A O no hydrogen 2.752 N/A ARG 123.A N THR 119.A O no hydrogen 2.918 N/A ARG 123.A NH2 GLU 158.A OE2 no hydrogen 3.215 N/A SER 124.A N ILE 121.A O no hydrogen 3.008 N/A MET 125.A N ILE 121.A O no hydrogen 2.910 N/A SER 130.A OG MET 125.A O no hydrogen 3.274 N/A SER 130.A OG GLY 129.A O no hydrogen 2.368 N/A ASP 135.A N VAL 132.A O no hydrogen 2.989 N/A GLU 137.A N ARG 74.A O no hydrogen 2.843 N/A VAL 139.A N SER 168.A O no hydrogen 2.929 N/A ILE 140.A N ILE 76.A O no hydrogen 2.945 N/A ASP 142.A N THR 78.A O no hydrogen 2.996 N/A VAL 144.A N LEU 172.A O no hydrogen 3.444 N/A ASN 148.A ND2 GLN 442.A O no hydrogen 3.051 N/A ASP 149.A N TYR 146.A O no hydrogen 3.130 N/A VAL 150.A N ASP 149.A OD1 no hydrogen 2.378 N/A GLU 151.A N ASP 149.A OD1 no hydrogen 3.074 N/A ARG 152.A NE GLU 120.A OE2 no hydrogen 2.673 N/A ARG 152.A NH2 PRO 80.A O no hydrogen 2.882 N/A ARG 152.A NH2 GLU 120.A OE1 no hydrogen 2.961 N/A ARG 152.A NH2 GLU 120.A OE2 no hydrogen 2.620 N/A VAL 155.A N ARG 152.A O no hydrogen 3.344 N/A GLU 158.A N VAL 154.A O no hydrogen 2.901 N/A VAL 159.A N VAL 155.A O no hydrogen 2.912 N/A LEU 160.A N TRP 156.A O no hydrogen 2.926 N/A SER 168.A N GLU 137.A O no hydrogen 2.908 N/A SER 168.A OG HIS 44.A NE2 no hydrogen 2.841 N/A ILE 170.A N VAL 139.A O no hydrogen 2.943 N/A LEU 172.A N PHE 141.A O no hydrogen 3.156 N/A SER 173.A OG VAL 49.A O no hydrogen 3.140 N/A SER 173.A OG LEU 171.A O no hydrogen 3.567 N/A THR 175.A OG1 ALA 50.A O no hydrogen 3.339 N/A ASN 178.A ND2 LEU 443.A O no hydrogen 3.577 N/A GLU 181.A N GLU 181.A OE2 no hydrogen 2.491 N/A ALA 183.A N ALA 179.A O no hydrogen 3.172 N/A ILE 186.A N PHE 182.A O no hydrogen 2.967 N/A GLY 187.A N ALA 183.A O no hydrogen 2.834 N/A ARG 188.A N ASP 184.A O no hydrogen 2.957 N/A ARG 188.A NE ASP 184.A OD1 no hydrogen 3.066 N/A ARG 188.A NH2 GLN 1.A O no hydrogen 3.442 N/A LEU 189.A N TRP 185.A O no hydrogen 2.867 N/A LYS 190.A N ILE 186.A O no hydrogen 3.455 N/A LYS 190.A NZ ILE 161.A O no hydrogen 3.508 N/A ARG 191.A NH1 LYS 190.A O no hydrogen 3.342 N/A ARG 192.A NH1 ASP 165.A O no hydrogen 2.757 N/A ARG 192.A NH2 ASP 165.A O no hydrogen 2.986 N/A VAL 196.A N ILE 4.A O no hydrogen 3.196 N/A ILE 197.A N PHE 48.A O no hydrogen 3.314 N/A THR 199.A N ALA 50.A O no hydrogen 3.236 N/A THR 201.A OG1 VAL 200.A O no hydrogen 2.552 N/A GLU 207.A N GLY 416.A O no hydrogen 2.898 N/A HIS 208.A ND1 TYR 400.A OH no hydrogen 2.780 N/A TYR 209.A N VAL 418.A O no hydrogen 2.845 N/A PHE 211.A N LEU 420.A O no hydrogen 2.913 N/A ASN 214.A ND2 GLU 221.A OE2 no hydrogen 2.362 N/A GLN 219.A NE2 GLU 221.A OE1 no hydrogen 3.434 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.495 N/A PHE 223.A N LEU 210.A O no hydrogen 2.929 N/A LEU 226.A N HIS 208.A O no hydrogen 3.305 N/A ARG 229.A N ASP 227.A OD1 no hydrogen 3.194 N/A GLY 230.A N ASP 227.A O no hydrogen 3.169 N/A ALA 231.A N ASP 227.A OD1 no hydrogen 2.910 N/A HIS 233.A N LEU 225.A O no hydrogen 3.185 N/A HIS 233.A NE2 ASP 227.A OD2 no hydrogen 3.088 N/A TYR 238.A N THR 234.A O no hydrogen 2.921 N/A ALA 239.A N LYS 235.A O no hydrogen 2.872 N/A ALA 240.A N GLY 236.A O no hydrogen 2.889 N/A VAL 241.A N TYR 237.A O no hydrogen 3.042 N/A GLU 242.A N TYR 238.A O no hydrogen 2.988 N/A ALA 243.A N ALA 239.A O no hydrogen 2.899 N/A LYS 244.A N ALA 240.A O no hydrogen 2.881 N/A LYS 245.A N VAL 241.A O no hydrogen 2.927 N/A GLU 246.A N GLU 242.A O no hydrogen 3.045 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.622 N/A MET 248.A N LYS 244.A O no hydrogen 3.426 N/A ASP 253.A N GLY 249.A O no hydrogen 3.092 N/A ARG 254.A N PRO 250.A O no hydrogen 2.892 N/A VAL 256.A N GLN 252.A O no hydrogen 2.941 N/A TYR 257.A N ASP 253.A O no hydrogen 2.904 N/A LEU 258.A N ARG 254.A O no hydrogen 2.893 N/A SER 259.A N GLY 255.A O no hydrogen 2.887 N/A SER 259.A OG GLY 255.A O no hydrogen 3.330 N/A SER 259.A OG VAL 256.A O no hydrogen 2.654 N/A LEU 260.A N VAL 256.A O no hydrogen 2.972 N/A LEU 261.A N TYR 257.A O no hydrogen 2.887 N/A ALA 262.A N LEU 258.A O no hydrogen 2.843 N/A SER 263.A N SER 259.A O no hydrogen 2.975 N/A SER 263.A OG SER 259.A O no hydrogen 3.343 N/A SER 263.A OG LEU 260.A O no hydrogen 3.028 N/A LEU 264.A N LEU 260.A O no hydrogen 2.898 N/A ARG 265.A N LEU 261.A O no hydrogen 2.855 N/A THR 266.A OG1 SER 263.A O no hydrogen 2.987 N/A ARG 267.A NE SER 263.A O no hydrogen 2.629 N/A ARG 267.A NH1 SER 263.A O no hydrogen 2.808 N/A VAL 272.A N LYS 360.A O no hydrogen 2.885 N/A VAL 273.A N THR 378.A O no hydrogen 2.959 N/A VAL 274.A N LEU 362.A O no hydrogen 2.810 N/A PHE 275.A N VAL 380.A O no hydrogen 2.927 N/A THR 276.A N ALA 364.A O no hydrogen 3.215 N/A THR 276.A OG1 ALA 364.A O no hydrogen 3.290 N/A ARG 281.A NH1 GLN 285.A OE1 no hydrogen 3.416 N/A CYS 282.A N SER 278.A O no hydrogen 2.615 N/A CYS 282.A SG PHE 363.A O no hydrogen 3.097 N/A ASP 283.A N ARG 279.A O no hydrogen 2.928 N/A GLU 284.A N GLY 280.A O no hydrogen 2.957 N/A GLN 285.A NE2 ARG 281.A O no hydrogen 2.618 N/A SER 287.A N ASP 283.A O no hydrogen 2.927 N/A SER 287.A OG ASP 283.A O no hydrogen 2.899 N/A SER 287.A OG GLU 284.A O no hydrogen 2.484 N/A GLY 288.A N GLU 284.A O no hydrogen 2.884 N/A THR 290.A OG1 SER 287.A O no hydrogen 2.508 N/A SER 291.A N LEU 289.A O no hydrogen 2.846 N/A SER 291.A OG THR 290.A O no hydrogen 2.501 N/A THR 295.A OG1 ASN 332.A O no hydrogen 3.566 N/A THR 295.A OG1 ARG 333.A O no hydrogen 2.609 N/A THR 296.A OG1 GLU 299.A OE1 no hydrogen 1.968 N/A SER 298.A OG GLU 302.A OE2 no hydrogen 3.177 N/A GLU 299.A N GLU 299.A OE1 no hydrogen 2.620 N/A LYS 300.A N THR 296.A O no hydrogen 3.274 N/A LYS 300.A NZ ASP 293.A OD1 no hydrogen 3.143 N/A LYS 300.A NZ ASP 293.A OD2 no hydrogen 3.437 N/A SER 301.A N SER 297.A O no hydrogen 2.895 N/A SER 301.A OG SER 298.A O no hydrogen 2.700 N/A GLU 302.A N SER 298.A O no hydrogen 2.942 N/A ILE 303.A N GLU 299.A O no hydrogen 2.869 N/A HIS 304.A N LYS 300.A O no hydrogen 2.910 N/A LEU 305.A N SER 301.A O no hydrogen 2.934 N/A PHE 306.A N GLU 302.A O no hydrogen 2.924 N/A LEU 307.A N ILE 303.A O no hydrogen 2.833 N/A GLN 308.A N HIS 304.A O no hydrogen 3.017 N/A ARG 309.A N LEU 305.A O no hydrogen 2.971 N/A CYS 310.A N PHE 306.A O no hydrogen 2.938 N/A CYS 310.A SG PHE 306.A O no hydrogen 3.260 N/A CYS 310.A SG LEU 307.A O no hydrogen 3.062 N/A LEU 311.A N LEU 307.A O no hydrogen 2.943 N/A ARG 313.A NH1 SER 945.A O no hydrogen 3.226 N/A ARG 313.A NH2 SER 945.A O no hydrogen 3.501 N/A ARG 319.A N GLY 316.A O no hydrogen 3.164 N/A ARG 319.A NE LEU 311.A O no hydrogen 3.645 N/A ARG 319.A NH2 LEU 314.A O no hydrogen 2.359 N/A GLN 320.A N SER 317.A O no hydrogen 2.910 N/A LEU 325.A N LEU 321.A O no hydrogen 3.318 N/A HIS 326.A N PRO 322.A O no hydrogen 2.944 N/A MET 327.A N GLN 323.A O no hydrogen 2.822 N/A SER 328.A N VAL 324.A O no hydrogen 2.870 N/A SER 328.A OG VAL 324.A O no hydrogen 3.394 N/A SER 328.A OG LEU 325.A O no hydrogen 2.562 N/A GLU 329.A N LEU 325.A O no hydrogen 2.938 N/A LEU 330.A N HIS 326.A O no hydrogen 2.951 N/A LEU 331.A N MET 327.A O no hydrogen 2.845 N/A ASN 332.A N SER 328.A O no hydrogen 2.842 N/A ARG 333.A N GLU 329.A O no hydrogen 3.046 N/A GLY 334.A N LEU 330.A O no hydrogen 2.854 N/A LEU 335.A N LEU 330.A O no hydrogen 2.705 N/A GLY 336.A N VAL 361.A O no hydrogen 2.937 N/A HIS 338.A N PHE 363.A O no hydrogen 3.408 N/A HIS 338.A ND1 HIS 338.A O no hydrogen 2.375 N/A HIS 339.A N HIS 339.A ND1 no hydrogen 2.827 N/A LEU 346.A N LEU 343.A O no hydrogen 2.915 N/A LYS 347.A N LEU 343.A O no hydrogen 3.160 N/A GLU 348.A N PRO 344.A O no hydrogen 2.970 N/A ILE 349.A N ILE 345.A O no hydrogen 2.958 N/A VAL 350.A N LEU 346.A O no hydrogen 2.906 N/A GLU 351.A N LYS 347.A O no hydrogen 2.966 N/A MET 352.A N GLU 348.A O no hydrogen 2.925 N/A LEU 353.A N ILE 349.A O no hydrogen 2.899 N/A PHE 354.A N GLU 351.A O no hydrogen 3.259 N/A SER 355.A N GLU 351.A O no hydrogen 3.316 N/A GLY 357.A N PHE 354.A O no hydrogen 3.409 N/A LYS 360.A N GLY 334.A O no hydrogen 3.426 N/A LYS 360.A NZ GLY 357.A O no hydrogen 3.235 N/A LEU 362.A N VAL 272.A O no hydrogen 2.999 N/A PHE 363.A N GLY 336.A O no hydrogen 2.870 N/A ALA 364.A N VAL 274.A O no hydrogen 2.926 N/A THR 365.A OG1 GLU 366.A OE1 no hydrogen 2.111 N/A GLU 366.A N THR 365.A OG1 no hydrogen 2.586 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.501 N/A PHE 368.A N THR 365.A O no hydrogen 2.914 N/A ALA 369.A N THR 365.A O no hydrogen 3.291 N/A MET 370.A N GLU 366.A O no hydrogen 2.909 N/A GLY 371.A N THR 367.A O no hydrogen 2.905 N/A THR 378.A OG1 THR 417.A O no hydrogen 3.174 N/A VAL 380.A N VAL 273.A O no hydrogen 2.949 N/A PHE 381.A N ILE 419.A O no hydrogen 3.026 N/A SER 383.A OG ARG 385.A O no hydrogen 3.364 N/A ARG 385.A N SER 383.A OG no hydrogen 3.121 N/A LYS 386.A N ARG 393.A O no hydrogen 2.706 N/A ASP 388.A N ASP 388.A OD1 no hydrogen 2.531 N/A THR 391.A OG1 ASP 388.A OD1 no hydrogen 3.489 N/A LEU 395.A N MET 384.A O no hydrogen 3.012 N/A TYR 400.A OH HIS 208.A ND1 no hydrogen 2.780 N/A VAL 401.A N PRO 397.A O no hydrogen 3.332 N/A GLN 402.A N GLU 399.A O no hydrogen 2.725 N/A MET 403.A N GLU 399.A O no hydrogen 3.400 N/A ALA 404.A N TYR 400.A O no hydrogen 2.925 N/A GLY 405.A N VAL 401.A O no hydrogen 2.813 N/A ARG 406.A N GLN 402.A O no hydrogen 3.059 N/A ARG 406.A NE ASN 373.A O no hydrogen 3.008 N/A ARG 406.A NH1 ALA 369.A O no hydrogen 2.544 N/A ARG 406.A NH2 ALA 369.A O no hydrogen 3.232 N/A ARG 409.A N ASP 413.A OD2 no hydrogen 3.322 N/A THR 415.A OG1 GLU 207.A OE2 no hydrogen 2.680 N/A GLY 416.A N PRO 205.A O no hydrogen 3.227 N/A THR 417.A OG1 GLU 207.A OE1 no hydrogen 3.106 N/A VAL 418.A N GLU 207.A O no hydrogen 2.947 N/A ILE 419.A N VAL 379.A O no hydrogen 2.988 N/A LEU 420.A N TYR 209.A O no hydrogen 3.524 N/A ARG 425.A NE VAL 426.A O no hydrogen 2.852 N/A ARG 425.A NH1 VAL 426.A O no hydrogen 2.323 N/A MET 429.A N TYR 237.A OH no hydrogen 1.918 N/A ASP 431.A N GLU 428.A O no hydrogen 3.350 N/A HIS 433.A N MET 429.A O no hydrogen 2.929 N/A ARG 434.A NH2 ASP 394.A OD2 no hydrogen 3.263 N/A MET 435.A N ASP 431.A O no hydrogen 2.970 N/A MET 436.A N LEU 432.A O no hydrogen 2.864 N/A MET 437.A N HIS 433.A O no hydrogen 3.220 N/A SER 441.A OG PRO 440.A O no hydrogen 2.391 N/A GLN 444.A N ASN 148.A OD1 no hydrogen 2.595 N/A SER 445.A OG GLU 157.A OE1 no hydrogen 2.850 N/A SER 445.A OG GLU 157.A OE2 no hydrogen 2.502 N/A LEU 455.A N TYR 451.A O no hydrogen 2.904 N/A ASN 456.A N THR 452.A O no hydrogen 2.940 N/A LEU 457.A N ILE 454.A O no hydrogen 3.279 N/A LEU 458.A N ILE 454.A O no hydrogen 2.887 N/A ARG 459.A N LEU 455.A O no hydrogen 2.924 N/A ARG 464.A N ASP 467.A OD2 no hydrogen 3.262 N/A ASP 467.A N ARG 464.A O no hydrogen 3.160 N/A MET 469.A N VAL 465.A O no hydrogen 3.274 N/A LYS 470.A N GLU 466.A O no hydrogen 2.905 N/A LYS 470.A NZ ASP 467.A OD1 no hydrogen 2.147 N/A ARG 471.A N ASP 467.A O no hydrogen 2.952 N/A SER 472.A N MET 469.A O no hydrogen 3.175 N/A SER 472.A OG MET 469.A O no hydrogen 2.502 N/A GLU 475.A N SER 472.A O no hydrogen 3.058 N/A PHE 476.A N PHE 473.A O no hydrogen 2.948 N/A SER 478.A OG GLU 475.A O no hydrogen 2.700 N/A SER 478.A OG GLU 475.A OE1 no hydrogen 3.034 N/A ARG 479.A N GLU 475.A O no hydrogen 2.891 N/A ARG 479.A NH2 SER 748.A O no hydrogen 3.027 N/A HIS 485.A N ASP 481.A O no hydrogen 3.096 N/A GLU 486.A N SER 482.A O no hydrogen 2.941 N/A GLN 487.A N LYS 483.A O no hydrogen 2.925 N/A ALA 488.A N ALA 484.A O no hydrogen 2.890 N/A LEU 489.A N HIS 485.A O no hydrogen 2.968 N/A ALA 490.A N GLU 486.A O no hydrogen 2.863 N/A GLU 491.A N GLN 487.A O no hydrogen 2.910 N/A LEU 492.A N ALA 488.A O no hydrogen 2.929 N/A THR 493.A N LEU 489.A O no hydrogen 2.906 N/A THR 493.A OG1 LEU 489.A O no hydrogen 3.026 N/A THR 493.A OG1 ALA 490.A O no hydrogen 2.798 N/A LYS 494.A NZ LYS 494.A O no hydrogen 2.685 N/A LEU 496.A N LEU 492.A O no hydrogen 2.930 N/A GLY 497.A N LYS 494.A O no hydrogen 3.217 N/A ALA 498.A N ARG 495.A O no hydrogen 3.241 N/A GLU 501.A N GLU 501.A OE1 no hydrogen 2.403 N/A THR 505.A N ASP 503.A OD1 no hydrogen 3.008 N/A THR 505.A OG1 ASP 503.A OD1 no hydrogen 2.348 N/A GLN 507.A NE2 GLN 716.A OE1 no hydrogen 3.401 N/A LEU 511.A N LEU 508.A O no hydrogen 3.108 N/A TYR 514.A N ASP 510.A O no hydrogen 2.815 N/A TYR 514.A OH ILE 712.A O no hydrogen 3.245 N/A TYR 515.A N LEU 511.A O no hydrogen 3.007 N/A SER 516.A N PRO 512.A O no hydrogen 3.075 N/A SER 516.A OG GLU 513.A O no hydrogen 2.476 N/A TRP 517.A N GLU 513.A O no hydrogen 2.993 N/A GLY 518.A N TYR 514.A O no hydrogen 2.962 N/A GLU 519.A N TYR 515.A O no hydrogen 3.292 N/A GLU 519.A N GLU 519.A OE1 no hydrogen 3.162 N/A GLU 520.A N SER 516.A O no hydrogen 3.308 N/A LEU 521.A N TRP 517.A O no hydrogen 3.455 N/A THR 522.A N GLY 518.A O no hydrogen 3.430 N/A THR 522.A OG1 GLY 518.A O no hydrogen 2.843 N/A GLU 523.A N GLU 519.A O no hydrogen 2.865 N/A THR 524.A N GLU 520.A O no hydrogen 2.710 N/A THR 524.A OG1 GLU 520.A O no hydrogen 2.874 N/A GLN 525.A N LEU 521.A O no hydrogen 2.999 N/A HIS 526.A N THR 522.A O no hydrogen 3.172 N/A HIS 526.A ND1 THR 522.A O no hydrogen 2.464 N/A MET 527.A N GLU 523.A O no hydrogen 2.893 N/A ILE 528.A N THR 524.A O no hydrogen 2.673 N/A GLN 529.A N GLN 525.A O no hydrogen 2.362 N/A GLN 529.A NE2 MET 628.A O no hydrogen 2.519 N/A ARG 530.A N HIS 526.A O no hydrogen 2.603 N/A ARG 531.A N MET 527.A O no hydrogen 2.867 N/A ILE 532.A N GLN 529.A O no hydrogen 2.923 N/A MET 533.A N GLN 529.A O no hydrogen 3.312 N/A GLU 534.A N ARG 530.A O no hydrogen 3.028 N/A SER 535.A OG ILE 532.A O no hydrogen 3.083 N/A GLY 538.A N SER 535.A OG no hydrogen 2.821 N/A LEU 539.A N SER 535.A O no hydrogen 3.099 N/A LYS 540.A N VAL 536.A O no hydrogen 2.933 N/A LYS 540.A N ASN 537.A O no hydrogen 2.991 N/A SER 541.A N ASN 537.A O no hydrogen 2.932 N/A SER 541.A OG GLY 538.A O no hydrogen 2.871 N/A LEU 542.A N GLY 538.A O no hydrogen 2.644 N/A SER 543.A OG ALA 544.A O no hydrogen 3.454 N/A VAL 548.A N GLY 560.A O no hydrogen 2.463 N/A VAL 549.A N ALA 630.A O no hydrogen 2.887 N/A VAL 550.A N ALA 558.A O no hydrogen 2.961 N/A LYS 551.A N ASP 627.A O no hydrogen 2.423 N/A LYS 551.A NZ ASN 552.A O no hydrogen 3.203 N/A LYS 551.A NZ HIS 556.A ND1 no hydrogen 2.807 N/A ASN 552.A N HIS 555.A O no hydrogen 2.744 N/A GLU 554.A N GLU 554.A OE1 no hydrogen 2.644 N/A HIS 555.A N ASN 552.A OD1 no hydrogen 2.668 N/A GLY 560.A N VAL 548.A O no hydrogen 2.629 N/A VAL 561.A N LEU 577.A O no hydrogen 2.833 N/A ILE 562.A N ARG 546.A O no hydrogen 2.805 N/A LEU 563.A N THR 575.A O no hydrogen 2.932 N/A GLN 564.A NE2 THR 575.A OG1 no hydrogen 2.465 N/A SER 566.A OG ASN 568.A O no hydrogen 3.304 N/A SER 566.A OG VAL 573.A O no hydrogen 3.430 N/A THR 570.A N ASN 568.A OD1 no hydrogen 3.242 N/A THR 570.A OG1 ASN 568.A OD1 no hydrogen 2.443 N/A SER 571.A OG SER 571.A O no hydrogen 2.396 N/A PHE 574.A N LEU 623.A O no hydrogen 2.875 N/A THR 576.A N VAL 621.A O no hydrogen 2.929 N/A THR 576.A OG1 PHE 574.A O no hydrogen 3.237 N/A LEU 577.A N VAL 561.A O no hydrogen 2.900 N/A VAL 578.A N THR 619.A O no hydrogen 2.814 N/A LEU 579.A N LEU 559.A O no hydrogen 3.168 N/A CYS 580.A SG ASP 581.A O no hydrogen 3.180 N/A CYS 580.A SG THR 619.A OG1 no hydrogen 3.425 N/A LYS 582.A NZ ASP 617.A OD2 no hydrogen 3.540 N/A TYR 600.A N ASP 603.A OD2 no hydrogen 3.204 N/A ASP 603.A N TYR 600.A O no hydrogen 2.928 N/A LEU 604.A N TYR 600.A O no hydrogen 3.030 N/A LEU 604.A N PRO 601.A O no hydrogen 3.222 N/A PHE 607.A N ALA 680.A O no hydrogen 3.265 N/A GLU 613.A N GLU 613.A OE1 no hydrogen 2.757 N/A GLY 614.A N ASP 581.A OD1 no hydrogen 2.896 N/A HIS 618.A N ASP 617.A OD1 no hydrogen 2.330 N/A THR 619.A N VAL 578.A O no hydrogen 2.921 N/A VAL 621.A N THR 576.A O no hydrogen 2.881 N/A LYS 622.A NZ VAL 573.A O no hydrogen 3.466 N/A LYS 622.A NZ THR 575.A OG1 no hydrogen 2.195 N/A LEU 623.A N PHE 574.A O no hydrogen 2.847 N/A GLN 624.A NE2 ASP 627.A OD2 no hydrogen 3.010 N/A ALA 630.A N VAL 549.A O no hydrogen 2.975 N/A THR 632.A N VAL 547.A O no hydrogen 3.034 N/A THR 632.A OG1 VAL 547.A O no hydrogen 2.434 N/A THR 633.A OG1 PRO 683.A O no hydrogen 3.349 N/A LYS 634.A NZ HIS 678.A NE2 no hydrogen 3.419 N/A VAL 638.A N LEU 636.A O no hydrogen 2.753 N/A ASN 639.A ND2 GLU 641.A OE2 no hydrogen 2.457 N/A GLU 641.A N ASN 639.A OD1 no hydrogen 3.039 N/A LEU 644.A N GLY 640.A O no hydrogen 2.874 N/A GLU 645.A N GLU 641.A O no hydrogen 2.887 N/A ASP 646.A N ILE 643.A O no hydrogen 3.294 N/A PHE 647.A N ILE 643.A O no hydrogen 2.821 N/A SER 648.A N LEU 644.A O no hydrogen 2.916 N/A SER 648.A OG LEU 644.A O no hydrogen 3.218 N/A LYS 649.A NZ ASP 658.A OD2 no hydrogen 3.488 N/A ARG 650.A N ASP 646.A O no hydrogen 2.851 N/A ARG 650.A NH1 ASP 646.A OD2 no hydrogen 3.132 N/A GLN 651.A N PHE 647.A O no hydrogen 2.787 N/A GLN 652.A NE2 LYS 649.A O no hydrogen 3.682 N/A PHE 655.A N GLN 652.A O no hydrogen 2.742 N/A ASP 658.A N PHE 655.A O no hydrogen 3.462 N/A THR 665.A N LEU 661.A O no hydrogen 3.125 N/A THR 665.A OG1 LEU 661.A O no hydrogen 3.289 N/A THR 666.A N ALA 662.A O no hydrogen 2.898 N/A THR 666.A OG1 ALA 662.A O no hydrogen 2.753 N/A ALA 667.A N ALA 663.A O no hydrogen 2.884 N/A VAL 668.A N VAL 664.A O no hydrogen 2.883 N/A GLN 669.A N THR 665.A O no hydrogen 2.957 N/A GLU 670.A N THR 666.A O no hydrogen 2.955 N/A LEU 671.A N ALA 667.A O no hydrogen 2.870 N/A LEU 672.A N VAL 668.A O no hydrogen 2.904 N/A ARG 673.A N GLN 669.A O no hydrogen 2.977 N/A LEU 674.A N GLU 670.A O no hydrogen 2.963 N/A ALA 675.A N LEU 671.A O no hydrogen 2.826 N/A GLN 676.A N LEU 672.A O no hydrogen 2.973 N/A ALA 677.A N ARG 673.A O no hydrogen 2.873 N/A ASP 686.A N ASP 690.A OD1 no hydrogen 2.882 N/A ASP 690.A N ASP 686.A O no hydrogen 2.986 N/A LEU 691.A N ASP 686.A O no hydrogen 2.841 N/A SER 697.A OG ASP 695.A OD2 no hydrogen 2.646 N/A GLU 700.A N MET 696.A O no hydrogen 2.986 N/A GLU 700.A N GLU 700.A OE1 no hydrogen 3.132 N/A GLY 701.A N SER 697.A O no hydrogen 2.930 N/A GLY 702.A N VAL 698.A O no hydrogen 2.872 N/A LEU 703.A N VAL 699.A O no hydrogen 2.981 N/A ARG 704.A N GLU 700.A O no hydrogen 2.884 N/A ALA 705.A N GLY 701.A O no hydrogen 2.880 N/A ARG 706.A N GLY 702.A O no hydrogen 2.951 N/A ARG 706.A NE GLY 702.A O no hydrogen 2.975 N/A LYS 707.A N LEU 703.A O no hydrogen 2.956 N/A LEU 708.A N ARG 704.A O no hydrogen 2.861 N/A GLU 709.A N ALA 705.A O no hydrogen 2.846 N/A GLU 710.A N ARG 706.A O no hydrogen 3.040 N/A LEU 711.A N LYS 707.A O no hydrogen 2.962 N/A ILE 712.A N LEU 708.A O no hydrogen 2.818 N/A GLN 713.A N GLU 709.A O no hydrogen 2.994 N/A GLY 714.A N LEU 711.A O no hydrogen 3.364 N/A ALA 715.A N ILE 712.A O no hydrogen 3.366 N/A CYS 717.A SG GLN 507.A O no hydrogen 3.394 N/A CYS 717.A SG ASP 510.A OD1 no hydrogen 2.955 N/A HIS 719.A N GLN 716.A O no hydrogen 3.181 N/A SER 720.A N CYS 717.A O no hydrogen 2.936 N/A SER 720.A OG GLN 507.A OE1 no hydrogen 3.531 N/A GLN 726.A NE2 ASP 503.A O no hydrogen 3.665 N/A TYR 727.A N PHE 723.A O no hydrogen 3.328 N/A LEU 728.A N PRO 724.A O no hydrogen 2.879 N/A LYS 729.A N ALA 725.A O no hydrogen 2.965 N/A LEU 730.A N GLN 726.A O no hydrogen 2.889 N/A ARG 731.A N TYR 727.A O no hydrogen 2.850 N/A ARG 731.A NH2 GLU 597.A O no hydrogen 3.138 N/A GLU 732.A N LEU 728.A O no hydrogen 2.913 N/A ARG 733.A N LYS 729.A O no hydrogen 3.007 N/A ARG 733.A NH1 GLU 500.A O no hydrogen 3.422 N/A ARG 733.A NH2 GLU 500.A O no hydrogen 2.430 N/A MET 734.A N LEU 730.A O no hydrogen 2.873 N/A GLN 735.A N ARG 731.A O no hydrogen 2.948 N/A ILE 736.A N GLU 732.A O no hydrogen 2.985 N/A GLN 737.A N ARG 733.A O no hydrogen 2.830 N/A LYS 738.A N MET 734.A O no hydrogen 2.911 N/A GLU 739.A N GLN 735.A O no hydrogen 2.924 N/A MET 740.A N ILE 736.A O no hydrogen 2.881 N/A GLU 741.A N GLN 737.A O no hydrogen 2.898 N/A ARG 742.A N LYS 738.A O no hydrogen 2.980 N/A LEU 743.A N GLU 739.A O no hydrogen 2.853 N/A ARG 744.A N MET 740.A O no hydrogen 2.848 N/A ARG 744.A NH2 GLU 741.A OE1 no hydrogen 2.344 N/A PHE 745.A N GLU 741.A O no hydrogen 2.949 N/A LEU 746.A N ARG 742.A O no hydrogen 2.933 N/A LEU 747.A N LEU 743.A O no hydrogen 3.069 N/A SER 748.A N PHE 745.A O no hydrogen 2.927 N/A SER 748.A OG PHE 745.A O no hydrogen 2.442 N/A LEU 755.A N LEU 752.A O no hydrogen 3.394 N/A TYR 758.A N LEU 754.A O no hydrogen 2.957 N/A HIS 759.A N LEU 755.A O no hydrogen 2.938 N/A GLN 760.A N PRO 756.A O no hydrogen 2.908 N/A ARG 761.A N GLU 757.A O no hydrogen 2.915 N/A ARG 761.A NH1 LEU 449.A O no hydrogen 2.267 N/A VAL 762.A N TYR 758.A O no hydrogen 2.908 N/A GLU 763.A N HIS 759.A O no hydrogen 2.898 N/A VAL 764.A N GLN 760.A O no hydrogen 2.961 N/A LEU 765.A N ARG 761.A O no hydrogen 2.857 N/A ARG 766.A N VAL 762.A O no hydrogen 2.889 N/A THR 767.A N GLU 763.A O no hydrogen 2.892 N/A THR 767.A N VAL 764.A O no hydrogen 3.221 N/A THR 767.A OG1 GLU 763.A O no hydrogen 2.961 N/A LEU 768.A N VAL 764.A O no hydrogen 3.279 N/A ASP 772.A N THR 776.A O no hydrogen 2.735 N/A GLY 775.A N ASP 772.A O no hydrogen 3.266 N/A THR 776.A OG1 ASP 772.A OD2 no hydrogen 3.399 N/A LYS 778.A N TYR 770.A O no hydrogen 2.772 N/A ARG 782.A N LYS 778.A O no hydrogen 3.022 N/A ARG 782.A NH1 VAL 777.A O no hydrogen 2.480 N/A VAL 783.A N LEU 779.A O no hydrogen 2.909 N/A ALA 784.A N ALA 780.A O no hydrogen 2.906 N/A CYS 785.A SG GLY 781.A O no hydrogen 3.057 N/A MET 787.A N CYS 785.A O no hydrogen 3.011 N/A SER 789.A OG HIS 790.A ND1 no hydrogen 2.544 N/A HIS 790.A ND1 SER 789.A OG no hydrogen 2.544 N/A GLU 791.A N GLU 791.A OE1 no hydrogen 2.288 N/A LEU 794.A N HIS 790.A O no hydrogen 2.971 N/A THR 795.A N GLU 791.A O no hydrogen 2.937 N/A THR 795.A OG1 TYR 770.A OH no hydrogen 3.408 N/A THR 795.A OG1 GLU 791.A O no hydrogen 2.822 N/A THR 795.A OG1 LEU 792.A O no hydrogen 3.157 N/A GLU 796.A N LEU 792.A O no hydrogen 2.932 N/A LEU 797.A N LEU 793.A O no hydrogen 2.898 N/A MET 798.A N LEU 794.A O no hydrogen 2.874 N/A PHE 799.A N THR 795.A O no hydrogen 2.912 N/A ASP 800.A N GLU 796.A O no hydrogen 3.048 N/A SER 804.A OG ASN 801.A OD1 no hydrogen 3.058 N/A LEU 806.A N LEU 803.A O no hydrogen 3.255 N/A GLU 810.A N ARG 807.A O no hydrogen 3.119 N/A ILE 811.A N ARG 807.A O no hydrogen 3.102 N/A LEU 814.A N GLU 810.A O no hydrogen 2.920 N/A LEU 815.A N ILE 811.A O no hydrogen 2.911 N/A SER 816.A N ALA 813.A O no hydrogen 3.302 N/A LEU 818.A N LEU 815.A O no hydrogen 3.403 N/A CYS 820.A SG SER 822.A O no hydrogen 3.786 N/A CYS 820.A SG ASN 869.A O no hydrogen 3.035 N/A ASP 825.A N PHE 870.A O no hydrogen 3.256 N/A GLN 829.A N ASP 828.A OD1 no hydrogen 2.373 N/A LEU 830.A N ASP 828.A O no hydrogen 2.972 N/A THR 833.A OG1 GLU 810.A OE1 no hydrogen 3.276 N/A THR 833.A OG1 GLU 810.A OE2 no hydrogen 3.477 N/A LYS 835.A NZ ASP 828.A O no hydrogen 3.128 N/A GLN 836.A N ASN 832.A O no hydrogen 2.940 N/A GLN 836.A N THR 833.A O no hydrogen 3.253 N/A GLY 837.A N THR 833.A O no hydrogen 2.985 N/A ILE 838.A N LEU 834.A O no hydrogen 2.953 N/A GLU 839.A N GLU 839.A OE1 no hydrogen 2.744 N/A ARG 840.A N GLN 836.A O no hydrogen 3.041 N/A VAL 841.A N GLY 837.A O no hydrogen 2.881 N/A ARG 842.A N ILE 838.A O no hydrogen 2.955 N/A ALA 843.A N GLU 839.A O no hydrogen 2.813 N/A VAL 844.A N ARG 840.A O no hydrogen 2.949 N/A ALA 845.A N VAL 841.A O no hydrogen 2.923 N/A LYS 846.A N ARG 842.A O no hydrogen 2.896 N/A ARG 847.A N ALA 843.A O no hydrogen 2.896 N/A ILE 848.A N VAL 844.A O no hydrogen 2.911 N/A GLY 849.A N ALA 845.A O no hydrogen 2.915 N/A GLU 850.A N LYS 846.A O no hydrogen 2.887 N/A VAL 851.A N ARG 847.A O no hydrogen 2.948 N/A GLN 852.A N ILE 848.A O no hydrogen 2.887 N/A VAL 853.A N GLY 849.A O no hydrogen 2.910 N/A ALA 854.A N GLU 850.A O no hydrogen 3.189 N/A CYS 855.A SG GLN 760.A O no hydrogen 3.459 N/A THR 860.A N GLU 863.A OE2 no hydrogen 2.615 N/A THR 860.A OG1 GLU 863.A OE2 no hydrogen 3.479 N/A GLU 862.A N GLU 862.A OE1 no hydrogen 2.864 N/A PHE 864.A N THR 860.A O no hydrogen 3.071 N/A VAL 865.A N VAL 861.A O no hydrogen 2.899 N/A GLY 866.A N GLU 862.A O no hydrogen 2.880 N/A GLU 867.A N PHE 864.A O no hydrogen 3.373 N/A LEU 868.A N VAL 865.A O no hydrogen 3.210 N/A ASN 869.A N GLY 817.A O no hydrogen 3.214 N/A GLU 874.A N GLU 874.A OE2 no hydrogen 2.596 N/A VAL 876.A N LEU 872.A O no hydrogen 3.051 N/A TYR 877.A N VAL 873.A O no hydrogen 2.928 N/A GLU 878.A N GLU 874.A O no hydrogen 2.936 N/A TRP 879.A N VAL 875.A O no hydrogen 2.881 N/A TRP 879.A NE1 LEU 936.A O no hydrogen 2.966 N/A ALA 880.A N VAL 876.A O no hydrogen 2.901 N/A ARG 881.A NH2 GLU 878.A OE1 no hydrogen 2.441 N/A GLU 887.A N GLU 887.A OE1 no hydrogen 2.345 N/A ALA 889.A N PHE 885.A O no hydrogen 2.892 N/A GLY 890.A N SER 886.A O no hydrogen 2.941 N/A LEU 891.A N GLU 887.A O no hydrogen 2.865 N/A GLU 896.A N GLU 896.A OE1 no hydrogen 2.457 N/A LEU 898.A N PRO 895.A O no hydrogen 3.200 N/A ARG 901.A N GLY 897.A O no hydrogen 2.973 N/A CYS 902.A SG CYS 820.A O no hydrogen 3.511 N/A CYS 902.A SG LEU 898.A O no hydrogen 2.978 N/A ILE 903.A N VAL 899.A O no hydrogen 2.956 N/A GLN 904.A N VAL 900.A O no hydrogen 3.066 N/A GLN 904.A N GLN 904.A OE1 no hydrogen 2.968 N/A ARG 905.A N ARG 901.A O no hydrogen 2.965 N/A LEU 906.A N ILE 903.A O no hydrogen 3.185 N/A ALA 907.A N ILE 903.A O no hydrogen 2.950 N/A MET 909.A N LEU 906.A O no hydrogen 3.104 N/A CYS 910.A N LEU 906.A O no hydrogen 3.009 N/A ARG 911.A NE GLU 908.A OE1 no hydrogen 3.175 N/A ARG 911.A NH2 GLU 908.A OE1 no hydrogen 2.536 N/A SER 912.A N GLU 908.A O no hydrogen 2.938 N/A SER 912.A OG MET 909.A O no hydrogen 3.467 N/A LEU 913.A N MET 909.A O no hydrogen 2.894 N/A ARG 914.A NH2 GLU 930.A OE1 no hydrogen 2.845 N/A ALA 916.A N LEU 913.A O no hydrogen 3.136 N/A ALA 917.A N LEU 913.A O no hydrogen 2.918 N/A LEU 919.A N ALA 916.A O no hydrogen 3.169 N/A VAL 920.A N ALA 916.A O no hydrogen 2.977 N/A LEU 925.A N GLU 922.A OE1 no hydrogen 3.172 N/A ALA 927.A N PRO 923.A O no hydrogen 3.341 N/A LYS 928.A N LEU 925.A O no hydrogen 3.148 N/A LYS 928.A NZ SER 804.A O no hydrogen 3.460 N/A LYS 928.A NZ LEU 806.A O no hydrogen 2.992 N/A MET 929.A N LEU 925.A O no hydrogen 2.888 N/A GLU 930.A N GLY 926.A O no hydrogen 2.866 N/A THR 931.A N LYS 928.A O no hydrogen 3.363 N/A THR 931.A OG1 LYS 928.A O no hydrogen 2.254 N/A ALA 932.A N LYS 928.A O no hydrogen 2.924 N/A ALA 933.A N MET 929.A O no hydrogen 3.151 N/A LEU 935.A N THR 931.A O no hydrogen 3.093 N/A LEU 936.A N ALA 933.A O no hydrogen 3.421 N/A ARG 938.A NH1 TRP 879.A O no hydrogen 3.374 N/A ARG 938.A NH2 MET 883.A O no hydrogen 2.977 N/A VAL 941.A N ASP 939.A OD1 no hydrogen 3.454 N/A PHE 942.A N ASP 939.A O no hydrogen 2.421 N/A SER 945.A OG GLU 348.A OE1 no hydrogen 3.246 N/A SER 945.A OG GLU 348.A OE2 no hydrogen 2.670 N/A LEU 946.A N GLU 348.A OE1 no hydrogen 3.209 N/A LEU 946.A N GLU 348.A OE2 no hydrogen 2.672 N/A TYR 947.A N GLU 348.A OE2 no hydrogen 3.002 N/A TYR 947.A OH ASN 86.A OD1 no hydrogen 2.431 N/A