Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6s1o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLY 48.A O no hydrogen 3.259 N/A ARG 4.A NH2 ASP 303.A O no hydrogen 3.163 N/A ARG 4.A NH2 ASP 305.A OD1 no hydrogen 2.792 N/A THR 14.A N ASP 11.A O no hydrogen 3.434 N/A GLU 15.A N ASP 11.A O no hydrogen 2.998 N/A LEU 17.A N LEU 182.A O no hydrogen 2.961 N/A PHE 19.A N LEU 180.A O no hydrogen 3.016 N/A GLN 20.A N VAL 44.A O no hydrogen 2.870 N/A GLN 21.A N ASN 178.A O no hydrogen 3.211 N/A LEU 22.A N PHE 42.A O no hydrogen 2.833 N/A ASP 25.A N ARG 40.A O no hydrogen 3.068 N/A GLY 29.A N VAL 36.A O no hydrogen 2.880 N/A GLN 32.A N GLN 32.A OE1 no hydrogen 2.605 N/A VAL 38.A N TYR 27.A O no hydrogen 2.729 N/A LEU 39.A N ILE 55.A O no hydrogen 2.908 N/A ARG 40.A N ASP 25.A O no hydrogen 2.962 N/A ARG 40.A NE ASP 25.A OD2 no hydrogen 3.096 N/A ARG 40.A NH2 ASP 25.A OD2 no hydrogen 2.706 N/A ALA 41.A N CYS 53.A O no hydrogen 2.920 N/A PHE 42.A N GLU 23.A O no hydrogen 2.999 N/A GLY 43.A N VAL 51.A O no hydrogen 2.916 N/A VAL 44.A N GLN 20.A O no hydrogen 2.910 N/A THR 45.A N PHE 49.A O no hydrogen 3.175 N/A THR 45.A OG1 PHE 49.A O no hydrogen 3.405 N/A GLY 48.A N THR 45.A OG1 no hydrogen 3.140 N/A PHE 49.A N THR 45.A OG1 no hydrogen 2.880 N/A VAL 51.A N GLY 43.A O no hydrogen 2.916 N/A CYS 52.A N LEU 200.A O no hydrogen 2.939 N/A CYS 52.A SG HIS 54.A NE2 no hydrogen 3.848 N/A CYS 53.A N ALA 41.A O no hydrogen 2.879 N/A HIS 54.A N ALA 202.A O no hydrogen 3.276 N/A ILE 55.A N LEU 39.A O no hydrogen 2.855 N/A HIS 56.A N VAL 204.A O no hydrogen 3.161 N/A HIS 56.A NE2 ASP 203.A OD1 no hydrogen 2.375 N/A PHE 62.A N ILE 126.A O no hydrogen 2.957 N/A TYR 63.A N GLU 159.A O no hydrogen 3.376 N/A THR 64.A N LEU 124.A O no hydrogen 2.983 N/A THR 64.A OG1 TYR 63.A O no hydrogen 2.684 N/A THR 64.A OG1 PRO 157.A O no hydrogen 3.563 N/A GLY 69.A N PRO 67.A O no hydrogen 2.791 N/A HIS 74.A N GLY 71.A O no hydrogen 2.822 N/A LEU 78.A N HIS 74.A O no hydrogen 3.044 N/A GLN 79.A N MET 75.A O no hydrogen 2.991 N/A ARG 80.A N GLY 76.A O no hydrogen 2.895 N/A ARG 80.A NH1 ALA 148.A O no hydrogen 3.029 N/A GLU 81.A N ASP 77.A O no hydrogen 2.843 N/A LEU 82.A N LEU 78.A O no hydrogen 3.067 N/A ASN 83.A N GLN 79.A O no hydrogen 2.736 N/A ARG 88.A NE ARG 88.A O no hydrogen 3.204 N/A GLY 93.A N SER 90.A O no hydrogen 2.923 N/A ARG 94.A N SER 90.A O no hydrogen 2.707 N/A ARG 94.A NH1 GLU 81.A O no hydrogen 3.563 N/A THR 97.A OG1 GLY 93.A O no hydrogen 3.300 N/A GLY 98.A N THR 97.A OG1 no hydrogen 2.842 N/A ALA 100.A N GLY 98.A O no hydrogen 3.102 N/A LEU 102.A N ALA 100.A O no hydrogen 2.896 N/A CYS 107.A N PHE 123.A O no hydrogen 3.003 N/A CYS 107.A SG PHE 123.A O no hydrogen 3.433 N/A ARG 109.A N SER 121.A O no hydrogen 2.940 N/A SER 111.A OG GLU 159.A OE1 no hydrogen 3.523 N/A GLY 114.A N TYR 526.A O no hydrogen 2.960 N/A SER 121.A N ARG 109.A O no hydrogen 2.928 N/A PHE 123.A N CYS 107.A O no hydrogen 2.813 N/A LEU 124.A N THR 64.A O no hydrogen 2.785 N/A ARG 125.A N GLU 105.A O no hydrogen 3.240 N/A ARG 125.A NH1 TYR 63.A OH no hydrogen 3.433 N/A ILE 126.A N PHE 62.A O no hydrogen 2.903 N/A THR 127.A OG1 VAL 101.A O no hydrogen 2.736 N/A THR 127.A OG1 LEU 102.A O no hydrogen 2.649 N/A VAL 128.A N PRO 60.A O no hydrogen 2.926 N/A ARG 138.A N VAL 134.A O no hydrogen 3.199 N/A ARG 139.A N ALA 135.A O no hydrogen 3.089 N/A LEU 140.A N ALA 137.A O no hydrogen 2.975 N/A GLN 143.A N GLN 143.A OE1 no hydrogen 2.604 N/A GLY 151.A N ALA 148.A O no hydrogen 3.270 N/A THR 152.A OG1 GLU 81.A OE1 no hydrogen 3.289 N/A GLU 159.A N TYR 63.A O no hydrogen 3.158 N/A PHE 164.A N ASP 163.A OD1 no hydrogen 2.584 N/A GLU 165.A N GLU 165.A OE2 no hydrogen 2.673 N/A ARG 167.A N ASP 163.A O no hydrogen 2.806 N/A PHE 168.A N PHE 164.A O no hydrogen 2.927 N/A MET 169.A N GLU 165.A O no hydrogen 2.969 N/A VAL 170.A N ILE 166.A O no hydrogen 2.871 N/A ASP 171.A N ARG 167.A O no hydrogen 2.912 N/A THR 172.A N PHE 168.A O no hydrogen 3.022 N/A THR 172.A OG1 PHE 168.A O no hydrogen 3.129 N/A ILE 174.A N MET 169.A O no hydrogen 3.374 N/A ASN 178.A ND2 SER 211.A OG no hydrogen 3.087 N/A LEU 180.A N PHE 19.A O no hydrogen 2.884 N/A GLU 181.A N VAL 210.A O no hydrogen 2.935 N/A LEU 182.A N LEU 17.A O no hydrogen 2.896 N/A GLY 185.A N PRO 12.A O no hydrogen 2.999 N/A LYS 186.A N PRO 183.A O no hydrogen 3.426 N/A TYR 187.A OH GLU 15.A O no hydrogen 2.518 N/A LYS 194.A NZ CYS 198.A O no hydrogen 3.265 N/A LYS 194.A NZ GLN 199.A O no hydrogen 2.585 N/A THR 196.A OG1 GLU 201.A OE1 no hydrogen 3.414 N/A GLN 199.A N SER 50.A O no hydrogen 3.104 N/A GLN 199.A NE2 PRO 5.A O no hydrogen 3.095 N/A LEU 200.A N SER 50.A O no hydrogen 3.143 N/A ALA 202.A N CYS 52.A O no hydrogen 3.105 N/A VAL 204.A N HIS 54.A O no hydrogen 2.762 N/A LEU 205.A N ASP 208.A OD2 no hydrogen 3.332 N/A TRP 206.A N HIS 56.A O no hydrogen 3.165 N/A ASP 208.A N LEU 205.A O no hydrogen 3.186 N/A VAL 210.A N GLU 181.A O no hydrogen 2.950 N/A SER 211.A OG ASP 173.A O no hydrogen 2.892 N/A HIS 212.A N TRP 179.A O no hydrogen 2.960 N/A HIS 212.A NE2 GLU 181.A OE1 no hydrogen 2.867 N/A TRP 218.A N GLU 215.A O no hydrogen 3.254 N/A LEU 224.A N ALA 222.A O no hydrogen 3.055 N/A ARG 225.A NH1 LEU 3.A O no hydrogen 3.474 N/A ARG 225.A NH2 MET 302.A O no hydrogen 3.271 N/A VAL 226.A N LEU 256.A O no hydrogen 2.935 N/A LEU 227.A N VAL 306.A O no hydrogen 2.958 N/A SER 228.A N LEU 254.A O no hydrogen 2.922 N/A SER 228.A OG THR 308.A OG1 no hydrogen 2.907 N/A ASP 230.A N CYS 252.A O no hydrogen 2.975 N/A GLU 232.A N GLN 250.A O no hydrogen 2.940 N/A ALA 234.A N PRO 247.A O no hydrogen 3.442 N/A PHE 240.A N ASP 819.A OD1 no hydrogen 3.420 N/A GLU 242.A N ASP 246.A OD2 no hydrogen 2.421 N/A ARG 245.A N GLU 242.A O no hydrogen 3.122 N/A ASP 246.A N GLU 242.A O no hydrogen 3.210 N/A ILE 249.A N GLU 232.A O no hydrogen 2.957 N/A GLN 250.A NE2 ARG 413.A O no hydrogen 3.567 N/A ILE 251.A N LEU 269.A O no hydrogen 2.975 N/A CYS 252.A N ASP 230.A O no hydrogen 2.963 N/A SER 253.A N LEU 267.A O no hydrogen 2.922 N/A LEU 254.A N SER 228.A O no hydrogen 2.876 N/A GLY 255.A N LEU 265.A O no hydrogen 2.964 N/A LEU 256.A N VAL 226.A O no hydrogen 3.020 N/A TRP 258.A N LEU 224.A O no hydrogen 2.924 N/A PHE 264.A N GLY 255.A O no hydrogen 3.057 N/A LEU 265.A N GLY 255.A O no hydrogen 3.054 N/A LEU 267.A N SER 253.A O no hydrogen 2.977 N/A ALA 268.A N LYS 281.A O no hydrogen 3.270 N/A LEU 269.A N ILE 251.A O no hydrogen 2.880 N/A THR 270.A N GLN 283.A O no hydrogen 3.325 N/A THR 270.A OG1 ARG 272.A O no hydrogen 3.033 N/A THR 270.A OG1 GLN 283.A O no hydrogen 3.504 N/A CYS 274.A SG ALA 275.A O no hydrogen 3.588 N/A ALA 280.A N ILE 277.A O no hydrogen 3.497 N/A LYS 281.A N ARG 266.A O no hydrogen 3.269 N/A SER 284.A OG THR 270.A OG1 no hydrogen 3.412 N/A SER 284.A OG ARG 272.A O no hydrogen 3.240 N/A GLU 289.A N GLU 289.A OE1 no hydrogen 2.584 N/A LEU 292.A N GLU 288.A O no hydrogen 2.981 N/A GLN 293.A N GLU 289.A O no hydrogen 2.982 N/A ALA 294.A N ASP 290.A O no hydrogen 2.877 N/A TRP 295.A N LEU 291.A O no hydrogen 3.058 N/A SER 296.A N LEU 292.A O no hydrogen 3.032 N/A SER 296.A OG LEU 292.A O no hydrogen 3.479 N/A SER 296.A OG GLN 293.A O no hydrogen 2.706 N/A THR 297.A N GLN 293.A O no hydrogen 2.948 N/A THR 297.A OG1 GLN 293.A O no hydrogen 2.927 N/A PHE 298.A N ALA 294.A O no hydrogen 3.015 N/A ILE 299.A N TRP 295.A O no hydrogen 2.983 N/A ARG 300.A N SER 296.A O no hydrogen 3.018 N/A ILE 301.A N THR 297.A O no hydrogen 3.004 N/A MET 302.A N PHE 298.A O no hydrogen 2.978 N/A ASP 305.A N ARG 225.A O no hydrogen 2.953 N/A VAL 306.A N ARG 225.A O no hydrogen 2.994 N/A ILE 307.A N VAL 369.A O no hydrogen 2.948 N/A THR 308.A N LEU 227.A O no hydrogen 2.927 N/A THR 308.A OG1 LEU 227.A O no hydrogen 3.215 N/A THR 308.A OG1 SER 228.A OG no hydrogen 2.907 N/A ASN 311.A N ASP 372.A OD1 no hydrogen 2.832 N/A GLN 313.A N ASP 372.A OD2 no hydrogen 3.130 N/A ASP 316.A N ILE 312.A O no hydrogen 3.072 N/A LEU 317.A N ILE 312.A O no hydrogen 3.102 N/A TYR 319.A N PHE 315.A O no hydrogen 3.393 N/A TYR 319.A OH GLU 242.A O no hydrogen 3.417 N/A TYR 319.A OH ASP 246.A O no hydrogen 2.602 N/A LEU 320.A N ASP 316.A O no hydrogen 3.018 N/A ILE 321.A N LEU 317.A O no hydrogen 2.960 N/A SER 322.A N PRO 318.A O no hydrogen 2.950 N/A SER 322.A OG PRO 318.A O no hydrogen 2.995 N/A ARG 323.A N TYR 319.A O no hydrogen 2.944 N/A ALA 324.A N LEU 320.A O no hydrogen 2.930 N/A GLN 325.A N ILE 321.A O no hydrogen 2.994 N/A THR 326.A N SER 322.A O no hydrogen 3.021 N/A THR 326.A OG1 SER 322.A O no hydrogen 3.030 N/A LEU 327.A N ARG 323.A O no hydrogen 3.415 N/A PHE 334.A N PHE 332.A O no hydrogen 2.694 N/A ARG 337.A N VAL 366.A O no hydrogen 3.103 N/A ALA 339.A N ALA 195.A O no hydrogen 3.422 N/A SER 343.A N PRO 333.A O no hydrogen 2.898 N/A SER 343.A OG SER 364.A O no hydrogen 2.310 N/A SER 343.A OG SER 364.A OG no hydrogen 3.413 N/A ASN 344.A N SER 364.A OG no hydrogen 3.360 N/A ARG 346.A N VAL 362.A O no hydrogen 2.955 N/A ARG 346.A NE ASP 347.A O no hydrogen 3.342 N/A SER 348.A N THR 360.A O no hydrogen 2.885 N/A PHE 350.A N ARG 358.A O no hydrogen 2.951 N/A SER 352.A N GLY 356.A O no hydrogen 2.900 N/A GLN 354.A N SER 352.A OG no hydrogen 3.261 N/A THR 355.A OG1 GLY 356.A O no hydrogen 3.510 N/A GLY 356.A N SER 352.A O no hydrogen 2.937 N/A ARG 358.A N PHE 350.A O no hydrogen 2.895 N/A ARG 358.A NH2 THR 355.A O no hydrogen 2.698 N/A ARG 358.A NH2 THR 355.A OG1 no hydrogen 3.308 N/A THR 360.A N SER 348.A O no hydrogen 2.916 N/A LYS 361.A N ASN 314.A OD1 no hydrogen 3.212 N/A VAL 362.A N ARG 346.A O no hydrogen 2.823 N/A SER 364.A OG SER 343.A OG no hydrogen 3.413 N/A GLY 367.A N GLU 23.A OE1 no hydrogen 2.716 N/A ARG 368.A NE LEU 335.A O no hydrogen 3.285 N/A ARG 368.A NH1 ASP 303.A OD1 no hydrogen 3.184 N/A ARG 368.A NH1 LEU 335.A O no hydrogen 3.520 N/A ARG 368.A NH2 ASP 303.A OD1 no hydrogen 2.964 N/A ARG 368.A NH2 PRO 304.A O no hydrogen 3.275 N/A VAL 369.A N ASP 305.A O no hydrogen 3.287 N/A MET 371.A N ILE 307.A O no hydrogen 2.944 N/A MET 373.A N GLY 309.A O no hydrogen 3.268 N/A LEU 374.A N ASP 372.A OD1 no hydrogen 3.177 N/A LEU 377.A N MET 373.A O no hydrogen 3.015 N/A LEU 378.A N LEU 374.A O no hydrogen 2.903 N/A ARG 379.A N GLN 375.A O no hydrogen 2.956 N/A GLU 380.A N VAL 376.A O no hydrogen 3.017 N/A TYR 381.A N LEU 377.A O no hydrogen 2.927 N/A LEU 383.A N TYR 386.A OH no hydrogen 3.031 N/A SER 385.A OG ASP 978.A OD2 no hydrogen 3.240 N/A TYR 386.A OH TYR 381.A O no hydrogen 2.315 N/A THR 387.A N SER 385.A OG no hydrogen 3.425 N/A THR 387.A OG1 SER 385.A OG no hydrogen 3.008 N/A VAL 391.A N THR 387.A O no hydrogen 2.969 N/A SER 392.A N LEU 388.A O no hydrogen 2.930 N/A SER 392.A OG ASN 389.A O no hydrogen 3.135 N/A PHE 393.A N ASN 389.A O no hydrogen 2.937 N/A HIS 394.A N ALA 390.A O no hydrogen 2.939 N/A PHE 395.A N VAL 391.A O no hydrogen 2.931 N/A LEU 396.A N SER 392.A O no hydrogen 2.910 N/A GLY 397.A N SER 392.A O no hydrogen 2.587 N/A THR 403.A OG1 GLY 235.A O no hydrogen 3.349 N/A THR 403.A OG1 HIS 399.A O no hydrogen 3.154 N/A ASP 404.A N ILE 401.A O no hydrogen 2.973 N/A LEU 405.A N ILE 401.A O no hydrogen 2.906 N/A ASN 407.A N THR 403.A O no hydrogen 3.377 N/A ASN 407.A ND2 THR 403.A O no hydrogen 2.806 N/A ASN 409.A N THR 412.A OG1 no hydrogen 3.105 N/A THR 412.A OG1 LEU 405.A O no hydrogen 3.328 N/A THR 412.A OG1 ASN 409.A O no hydrogen 2.454 N/A ARG 413.A N ASN 409.A O no hydrogen 3.392 N/A ARG 413.A NE PRO 273.A O no hydrogen 3.115 N/A ARG 413.A NH1 GLN 406.A O no hydrogen 3.050 N/A ARG 413.A NH2 PRO 273.A O no hydrogen 3.407 N/A ARG 414.A N ASP 410.A O no hydrogen 2.983 N/A ARG 414.A NE PRO 276.A O no hydrogen 3.244 N/A ARG 415.A N GLN 411.A O no hydrogen 2.959 N/A ARG 415.A NH2 ASP 971.A O no hydrogen 3.256 N/A LEU 416.A N THR 412.A O no hydrogen 2.957 N/A ALA 417.A N ARG 413.A O no hydrogen 2.940 N/A VAL 418.A N ARG 414.A O no hydrogen 3.044 N/A TYR 419.A N ARG 415.A O no hydrogen 3.055 N/A CYS 420.A N LEU 416.A O no hydrogen 2.980 N/A CYS 420.A SG ASP 230.A O no hydrogen 3.990 N/A CYS 420.A SG GLU 232.A OE2 no hydrogen 3.910 N/A LEU 421.A N ALA 417.A O no hydrogen 2.955 N/A LYS 422.A N VAL 418.A O no hydrogen 3.070 N/A ASP 423.A N TYR 419.A O no hydrogen 3.048 N/A ALA 424.A N CYS 420.A O no hydrogen 2.921 N/A TYR 425.A N LYS 422.A O no hydrogen 3.204 N/A LEU 426.A N LYS 422.A O no hydrogen 3.163 N/A LEU 430.A N LEU 426.A O no hydrogen 3.093 N/A LEU 431.A N PRO 427.A O no hydrogen 2.878 N/A GLU 432.A N LEU 428.A O no hydrogen 2.972 N/A ARG 433.A N ARG 429.A O no hydrogen 2.944 N/A LEU 434.A N LEU 430.A O no hydrogen 3.123 N/A ALA 440.A N VAL 436.A O no hydrogen 2.948 N/A VAL 441.A N LEU 437.A O no hydrogen 2.959 N/A GLU 442.A N VAL 438.A O no hydrogen 3.021 N/A MET 443.A N ASN 439.A O no hydrogen 2.895 N/A ALA 444.A N ALA 440.A O no hydrogen 3.004 N/A ARG 445.A N VAL 441.A O no hydrogen 2.973 N/A ARG 445.A NE CYS 177.A O no hydrogen 3.273 N/A ARG 445.A NH2 CYS 177.A O no hydrogen 3.485 N/A ARG 445.A NH2 ARG 220.A O no hydrogen 3.045 N/A VAL 446.A N GLU 442.A O no hydrogen 2.966 N/A THR 447.A N MET 443.A O no hydrogen 2.964 N/A THR 447.A OG1 MET 443.A O no hydrogen 2.641 N/A GLY 448.A N ALA 444.A O no hydrogen 3.166 N/A TYR 453.A OH ASP 163.A OD2 no hydrogen 3.352 N/A SER 456.A OG SER 452.A O no hydrogen 3.568 N/A ARG 457.A N TYR 453.A O no hydrogen 3.275 N/A VAL 464.A N GLN 460.A O no hydrogen 2.941 N/A SER 465.A N VAL 461.A O no hydrogen 2.927 N/A GLN 466.A N LYS 462.A O no hydrogen 2.989 N/A LEU 467.A N VAL 463.A O no hydrogen 2.989 N/A LEU 468.A N VAL 464.A O no hydrogen 2.976 N/A ARG 469.A N SER 465.A O no hydrogen 2.987 N/A ARG 469.A NE SER 465.A OG no hydrogen 3.369 N/A ARG 469.A NH1 ILE 174.A O no hydrogen 3.238 N/A ARG 469.A NH1 GLY 448.A O no hydrogen 3.005 N/A GLN 470.A N GLN 466.A O no hydrogen 3.008 N/A ALA 471.A N LEU 468.A O no hydrogen 3.042 N/A MET 472.A N LEU 468.A O no hydrogen 3.308 N/A LEU 476.A N ALA 471.A O no hydrogen 3.503 N/A LEU 477.A N GLU 110.A O no hydrogen 2.679 N/A TYR 489.A N ASP 488.A OD1 no hydrogen 2.657 N/A TYR 489.A OH TYR 609.A OH no hydrogen 3.336 N/A ILE 495.A N GLY 662.A O no hydrogen 2.789 N/A LEU 498.A N VAL 660.A O no hydrogen 3.339 N/A GLY 500.A N LEU 711.A O no hydrogen 2.990 N/A TYR 501.A OH ASP 503.A OD2 no hydrogen 3.422 N/A TYR 502.A N TYR 709.A O no hydrogen 2.875 N/A TYR 502.A OH LEU 498.A O no hydrogen 3.387 N/A ILE 506.A N TYR 706.A O no hydrogen 3.252 N/A ALA 507.A N CYS 669.A O no hydrogen 2.898 N/A THR 508.A N LYS 704.A O no hydrogen 3.354 N/A LEU 509.A N VAL 667.A O no hydrogen 2.933 N/A ASP 510.A N GLU 701.A O no hydrogen 2.971 N/A PHE 511.A N ASP 665.A O no hydrogen 3.168 N/A SER 517.A N SER 513.A O no hydrogen 3.371 N/A SER 517.A OG SER 513.A O no hydrogen 2.725 N/A ILE 518.A N LEU 514.A O no hydrogen 2.981 N/A MET 519.A N TYR 515.A O no hydrogen 3.018 N/A MET 520.A N PRO 516.A O no hydrogen 2.917 N/A ALA 521.A N SER 517.A O no hydrogen 2.965 N/A ASN 523.A ND2 VAL 555.A O no hydrogen 3.062 N/A ASN 523.A ND2 ARG 560.A O no hydrogen 3.323 N/A CYS 525.A SG THR 527.A OG1 no hydrogen 3.480 N/A TYR 526.A OH LEU 619.A O no hydrogen 2.312 N/A THR 528.A OG1 THR 528.A O no hydrogen 2.521 N/A LEU 529.A N TYR 526.A O no hydrogen 3.491 N/A LEU 530.A N GLU 553.A O no hydrogen 3.402 N/A GLN 536.A N GLY 533.A O no hydrogen 2.926 N/A THR 541.A OG1 GLU 542.A OE2 no hydrogen 2.688 N/A GLU 542.A N GLU 542.A OE2 no hydrogen 2.778 N/A GLN 544.A N THR 541.A O no hydrogen 3.444 N/A PHE 545.A N THR 541.A O no hydrogen 3.191 N/A ILE 546.A N PHE 554.A O no hydrogen 2.813 N/A THR 548.A N ASP 552.A O no hydrogen 3.229 N/A THR 548.A OG1 SER 627.A OG no hydrogen 3.092 N/A THR 550.A OG1 GLN 626.A O no hydrogen 3.130 N/A GLY 551.A N THR 548.A OG1 no hydrogen 3.238 N/A PHE 554.A N ILE 546.A O no hydrogen 2.965 N/A LYS 556.A N GLN 544.A O no hydrogen 2.537 N/A VAL 559.A N LYS 556.A O no hydrogen 3.433 N/A GLN 566.A NE2 GLY 562.A O no hydrogen 3.661 N/A ILE 567.A N LEU 563.A O no hydrogen 3.324 N/A LEU 568.A N LEU 564.A O no hydrogen 3.035 N/A GLU 569.A N PRO 565.A O no hydrogen 2.910 N/A ASN 570.A N GLN 566.A O no hydrogen 3.059 N/A LEU 571.A N ILE 567.A O no hydrogen 3.118 N/A LEU 572.A N LEU 568.A O no hydrogen 2.895 N/A SER 573.A N GLU 569.A O no hydrogen 3.039 N/A ALA 574.A N ASN 570.A O no hydrogen 3.091 N/A ARG 575.A N LEU 571.A O no hydrogen 3.060 N/A ARG 575.A NE GLN 598.A O no hydrogen 3.424 N/A ARG 575.A NE GLN 598.A OE1 no hydrogen 2.848 N/A ARG 575.A NH2 GLN 598.A OE1 no hydrogen 2.791 N/A LYS 576.A N LEU 572.A O no hydrogen 2.966 N/A ARG 577.A N SER 573.A O no hydrogen 2.976 N/A ALA 578.A N ALA 574.A O no hydrogen 3.057 N/A LYS 579.A N ARG 575.A O no hydrogen 2.963 N/A ALA 580.A N LYS 576.A O no hydrogen 2.942 N/A GLU 581.A N ARG 577.A O no hydrogen 2.985 N/A LEU 582.A N ALA 578.A O no hydrogen 2.945 N/A ALA 583.A N LYS 579.A O no hydrogen 2.967 N/A ARG 591.A N ASP 587.A O no hydrogen 3.018 N/A ARG 591.A NE GLU 585.A O no hydrogen 3.022 N/A GLN 592.A N PRO 588.A O no hydrogen 2.953 N/A VAL 593.A N LEU 589.A O no hydrogen 2.984 N/A LEU 594.A N ARG 590.A O no hydrogen 2.999 N/A ASP 595.A N ARG 591.A O no hydrogen 2.974 N/A GLY 596.A N GLN 592.A O no hydrogen 2.881 N/A ARG 597.A N VAL 593.A O no hydrogen 3.027 N/A ARG 597.A NE GLU 442.A OE2 no hydrogen 2.383 N/A ARG 597.A NH2 GLU 442.A OE2 no hydrogen 3.092 N/A GLN 598.A N LEU 594.A O no hydrogen 3.055 N/A GLN 598.A NE2 ASP 595.A OD1 no hydrogen 2.499 N/A LEU 599.A N ASP 595.A O no hydrogen 2.893 N/A ALA 600.A N GLY 596.A O no hydrogen 3.023 N/A LEU 601.A N ARG 597.A O no hydrogen 3.153 N/A LYS 602.A N GLN 598.A O no hydrogen 3.013 N/A VAL 603.A N LEU 599.A O no hydrogen 2.915 N/A SER 604.A N ALA 600.A O no hydrogen 3.032 N/A SER 604.A OG ALA 600.A O no hydrogen 3.066 N/A ALA 605.A N LEU 601.A O no hydrogen 3.093 N/A ASN 606.A N LYS 602.A O no hydrogen 3.020 N/A SER 607.A N VAL 603.A O no hydrogen 2.919 N/A VAL 608.A N SER 604.A O no hydrogen 3.148 N/A GLY 610.A N ASN 606.A O no hydrogen 3.038 N/A PHE 611.A N SER 607.A O no hydrogen 2.975 N/A THR 612.A N TYR 609.A O no hydrogen 3.192 N/A GLN 615.A NE2 GLU 487.A O no hydrogen 2.506 N/A CYS 621.A N THR 612.A O no hydrogen 3.018 N/A GLU 623.A N GLU 623.A OE1 no hydrogen 2.581 N/A ILE 624.A N CYS 621.A O no hydrogen 2.817 N/A GLN 626.A N LEU 622.A O no hydrogen 3.043 N/A SER 627.A N GLU 623.A O no hydrogen 3.059 N/A SER 627.A OG THR 548.A OG1 no hydrogen 3.092 N/A SER 627.A OG ASP 552.A OD2 no hydrogen 3.514 N/A SER 627.A OG GLU 623.A O no hydrogen 3.435 N/A VAL 628.A N ILE 624.A O no hydrogen 2.959 N/A THR 629.A N SER 625.A O no hydrogen 3.085 N/A THR 629.A OG1 THR 490.A O no hydrogen 3.222 N/A THR 629.A OG1 GLN 626.A O no hydrogen 3.505 N/A GLY 630.A N GLN 626.A O no hydrogen 3.010 N/A PHE 631.A N SER 627.A O no hydrogen 3.041 N/A GLY 632.A N VAL 628.A O no hydrogen 2.992 N/A ARG 633.A N THR 629.A O no hydrogen 3.041 N/A ARG 633.A NH1 THR 490.A O no hydrogen 3.535 N/A GLN 634.A N GLY 630.A O no hydrogen 3.088 N/A MET 635.A N PHE 631.A O no hydrogen 3.004 N/A ILE 636.A N GLY 632.A O no hydrogen 3.062 N/A GLU 637.A N ARG 633.A O no hydrogen 3.158 N/A LYS 638.A N GLN 634.A O no hydrogen 3.038 N/A THR 639.A N MET 635.A O no hydrogen 2.956 N/A THR 639.A OG1 MET 635.A O no hydrogen 2.986 N/A LYS 640.A N ILE 636.A O no hydrogen 3.027 N/A GLN 641.A N GLU 637.A O no hydrogen 3.049 N/A LEU 642.A N LYS 638.A O no hydrogen 3.009 N/A VAL 643.A N THR 639.A O no hydrogen 2.948 N/A GLU 644.A N LYS 640.A O no hydrogen 3.072 N/A SER 645.A N GLN 641.A O no hydrogen 2.951 N/A SER 645.A N LEU 642.A O no hydrogen 3.315 N/A SER 645.A OG GLN 641.A O no hydrogen 2.322 N/A SER 645.A OG LEU 642.A O no hydrogen 3.015 N/A LYS 646.A N LEU 642.A O no hydrogen 3.092 N/A THR 648.A OG1 GLU 650.A OE2 no hydrogen 3.044 N/A THR 648.A OG1 SER 656.A OG no hydrogen 2.994 N/A GLU 650.A N GLU 650.A OE2 no hydrogen 2.730 N/A ASN 651.A N THR 648.A O no hydrogen 3.336 N/A THR 655.A OG1 PHE 671.A O no hydrogen 2.694 N/A SER 656.A OG THR 648.A OG1 no hydrogen 2.994 N/A ALA 657.A N TYR 647.A O no hydrogen 3.359 N/A LYS 658.A N ARG 670.A O no hydrogen 3.360 N/A VAL 659.A N GLU 644.A OE2 no hydrogen 2.386 N/A VAL 660.A N MET 668.A O no hydrogen 3.349 N/A ASP 665.A N ASP 663.A O no hydrogen 2.693 N/A SER 666.A OG ASP 665.A OD1 no hydrogen 3.535 N/A VAL 667.A N LEU 509.A O no hydrogen 2.898 N/A MET 668.A N TYR 661.A O no hydrogen 2.944 N/A CYS 669.A N ALA 507.A O no hydrogen 2.943 N/A ARG 670.A N LYS 658.A O no hydrogen 3.343 N/A SER 674.A OG SER 674.A O no hydrogen 2.644 N/A SER 675.A OG GLU 678.A OE1 no hydrogen 3.463 N/A ALA 679.A N SER 675.A O no hydrogen 3.105 N/A MET 680.A N VAL 676.A O no hydrogen 2.940 N/A ALA 681.A N ALA 677.A O no hydrogen 2.976 N/A LEU 682.A N GLU 678.A O no hydrogen 2.992 N/A GLY 683.A N ALA 679.A O no hydrogen 2.883 N/A ARG 684.A N MET 680.A O no hydrogen 3.015 N/A GLU 685.A N ALA 681.A O no hydrogen 3.071 N/A ALA 686.A N LEU 682.A O no hydrogen 2.896 N/A ALA 687.A N GLY 683.A O no hydrogen 2.972 N/A ASP 688.A N ARG 684.A O no hydrogen 3.088 N/A TRP 689.A N GLU 685.A O no hydrogen 2.893 N/A VAL 690.A N ALA 686.A O no hydrogen 2.933 N/A SER 691.A N ALA 687.A O no hydrogen 3.148 N/A SER 691.A OG ALA 687.A O no hydrogen 2.937 N/A SER 691.A OG LEU 700.A O no hydrogen 2.940 N/A GLY 692.A N TRP 689.A O no hydrogen 3.368 N/A ILE 698.A N PRO 695.A O no hydrogen 3.277 N/A LEU 700.A N SER 691.A OG no hydrogen 2.687 N/A GLU 701.A N ASP 510.A O no hydrogen 2.860 N/A GLU 703.A N THR 508.A O no hydrogen 3.012 N/A TYR 706.A N ILE 506.A O no hydrogen 2.969 N/A TYR 706.A OH ASP 733.A OD2 no hydrogen 2.600 N/A PHE 707.A N LEU 720.A O no hydrogen 3.363 N/A TYR 709.A N TYR 502.A O no hydrogen 2.974 N/A LEU 710.A N ALA 718.A O no hydrogen 2.925 N/A LEU 711.A N GLY 500.A O no hydrogen 2.942 N/A ILE 712.A N ARG 716.A O no hydrogen 3.060 N/A SER 713.A N ARG 716.A O no hydrogen 3.361 N/A LYS 714.A NZ GLU 496.A OE1 no hydrogen 3.404 N/A LYS 715.A N TYR 661.A OH no hydrogen 3.348 N/A LYS 715.A NZ ASP 663.A OD2 no hydrogen 3.289 N/A ARG 716.A NH1 GLU 738.A OE1 no hydrogen 3.125 N/A TYR 717.A N LYS 735.A O no hydrogen 2.967 N/A ALA 718.A N LEU 710.A O no hydrogen 2.919 N/A GLY 719.A N ASP 733.A O no hydrogen 2.981 N/A LEU 721.A N ARG 731.A O no hydrogen 2.996 N/A SER 723.A OG ASP 727.A OD2 no hydrogen 2.353 N/A ARG 725.A NH1 ARG 725.A O no hydrogen 3.500 N/A ASP 730.A N LEU 721.A O no hydrogen 2.930 N/A ASP 733.A N GLY 719.A O no hydrogen 2.837 N/A LYS 735.A N TYR 717.A O no hydrogen 2.929 N/A LYS 735.A NZ TYR 717.A OH no hydrogen 3.061 N/A VAL 740.A N LEU 737.A O no hydrogen 3.538 N/A ARG 741.A NE ASP 743.A OD1 no hydrogen 3.461 N/A ARG 741.A NE ASP 743.A OD2 no hydrogen 2.857 N/A ARG 741.A NH2 ASP 743.A OD2 no hydrogen 2.478 N/A ASN 744.A ND2 GLU 738.A O no hydrogen 3.384 N/A CYS 745.A SG LEU 789.A O no hydrogen 3.895 N/A LEU 747.A N GLN 788.A O no hydrogen 3.366 N/A ALA 749.A N CYS 745.A O no hydrogen 3.472 N/A ASN 750.A N PRO 746.A O no hydrogen 2.920 N/A LEU 751.A N LEU 747.A O no hydrogen 2.987 N/A VAL 752.A N VAL 748.A O no hydrogen 2.955 N/A THR 753.A N ALA 749.A O no hydrogen 3.019 N/A THR 753.A OG1 ALA 749.A O no hydrogen 3.017 N/A THR 753.A OG1 ASN 750.A O no hydrogen 2.615 N/A ALA 754.A N ASN 750.A O no hydrogen 2.919 N/A SER 755.A N LEU 751.A O no hydrogen 2.932 N/A SER 755.A OG LEU 751.A O no hydrogen 3.146 N/A LEU 756.A N VAL 752.A O no hydrogen 2.997 N/A ARG 757.A N THR 753.A O no hydrogen 2.917 N/A ARG 758.A N ALA 754.A O no hydrogen 2.960 N/A LEU 759.A N SER 755.A O no hydrogen 2.908 N/A LEU 760.A N LEU 756.A O no hydrogen 2.944 N/A ILE 761.A N ARG 757.A O no hydrogen 3.080 N/A ASP 764.A N ARG 758.A O no hydrogen 3.251 N/A GLU 766.A N ASP 764.A OD1 no hydrogen 2.663 N/A GLY 767.A N ASP 764.A OD1 no hydrogen 3.100 N/A VAL 769.A N PRO 765.A O no hydrogen 2.925 N/A ALA 770.A N GLU 766.A O no hydrogen 2.951 N/A HIS 771.A N GLY 767.A O no hydrogen 2.855 N/A ALA 772.A N ALA 768.A O no hydrogen 2.968 N/A GLN 773.A N VAL 769.A O no hydrogen 2.912 N/A ASP 774.A N ALA 770.A O no hydrogen 2.961 N/A VAL 775.A N HIS 771.A O no hydrogen 2.983 N/A ILE 776.A N ALA 772.A O no hydrogen 3.005 N/A SER 777.A N GLN 773.A O no hydrogen 2.885 N/A SER 777.A OG GLN 773.A O no hydrogen 2.689 N/A ASP 778.A N ASP 774.A O no hydrogen 2.906 N/A LEU 779.A N VAL 775.A O no hydrogen 2.951 N/A LEU 780.A N ILE 776.A O no hydrogen 2.992 N/A CYS 781.A N SER 777.A O no hydrogen 2.982 N/A CYS 781.A SG SER 777.A O no hydrogen 3.247 N/A ASN 782.A N LEU 779.A O no hydrogen 3.283 N/A ARG 783.A N ASP 778.A O no hydrogen 3.199 N/A ARG 783.A NE ASP 778.A OD1 no hydrogen 2.611 N/A ARG 783.A NH1 ASP 778.A OD1 no hydrogen 2.872 N/A SER 787.A OG TYR 983.A OH no hydrogen 2.383 N/A GLN 788.A N ASP 785.A O no hydrogen 3.280 N/A LEU 789.A N ILE 786.A O no hydrogen 3.464 N/A ILE 791.A N TYR 832.A O no hydrogen 2.878 N/A LYS 793.A N VAL 830.A O no hydrogen 2.981 N/A LEU 795.A N ASP 828.A O no hydrogen 2.913 N/A THR 796.A OG1 ASP 801.A OD2 no hydrogen 3.450 N/A SER 800.A OG ARG 797.A O no hydrogen 2.983 N/A ALA 803.A N ALA 799.A O no hydrogen 2.962 N/A ALA 803.A N SER 800.A O no hydrogen 3.207 N/A LYS 805.A NZ GLU 810.A OE1 no hydrogen 3.374 N/A LEU 811.A N ALA 807.A O no hydrogen 2.996 N/A ALA 812.A N HIS 808.A O no hydrogen 2.923 N/A GLU 813.A N VAL 809.A O no hydrogen 2.945 N/A ARG 814.A N GLU 810.A O no hydrogen 3.240 N/A ARG 816.A NE MET 815.A O no hydrogen 3.325 N/A ARG 818.A NH2 ASP 819.A OD2 no hydrogen 3.188 N/A GLY 821.A N ASP 819.A OD1 no hydrogen 2.927 N/A SER 822.A OG ASP 819.A OD2 no hydrogen 2.526 N/A SER 825.A N ASP 828.A OD2 no hydrogen 2.730 N/A GLY 827.A N LEU 795.A O no hydrogen 2.732 N/A VAL 830.A N LYS 793.A O no hydrogen 2.859 N/A TYR 832.A N ILE 791.A O no hydrogen 2.862 N/A VAL 833.A N GLU 848.A O no hydrogen 3.084 N/A ILE 834.A N TYR 865.A OH no hydrogen 3.482 N/A ILE 835.A N LYS 846.A O no hydrogen 2.834 N/A ALA 842.A N LYS 839.A O no hydrogen 3.441 N/A LYS 846.A NZ ASP 861.A OD2 no hydrogen 3.461 N/A SER 847.A OG ALA 807.A O no hydrogen 3.558 N/A GLU 848.A N VAL 833.A O no hydrogen 3.035 N/A ASP 849.A N GLU 848.A OE2 no hydrogen 2.985 N/A VAL 853.A N ASP 849.A O no hydrogen 3.040 N/A LEU 854.A N PRO 850.A O no hydrogen 2.971 N/A GLU 855.A N LEU 851.A O no hydrogen 2.936 N/A HIS 856.A N PHE 852.A O no hydrogen 2.920 N/A SER 857.A N VAL 853.A O no hydrogen 2.974 N/A TYR 864.A N ASP 861.A OD1 no hydrogen 3.489 N/A TYR 865.A N ASP 861.A O no hydrogen 3.294 N/A TYR 865.A OH LEU 789.A O no hydrogen 2.940 N/A LEU 866.A N THR 862.A O no hydrogen 2.952 N/A GLU 867.A N GLN 863.A O no hydrogen 2.952 N/A GLN 868.A N TYR 864.A O no hydrogen 2.923 N/A LEU 870.A N TYR 865.A O no hydrogen 3.225 N/A LYS 872.A NZ GLU 867.A O no hydrogen 3.301 N/A LEU 875.A N ALA 871.A O no hydrogen 3.026 N/A ARG 876.A N LYS 872.A O no hydrogen 2.948 N/A ILE 877.A N PRO 873.A O no hydrogen 3.049 N/A PHE 878.A N LEU 874.A O no hydrogen 2.911 N/A LEU 882.A N GLU 879.A O no hydrogen 2.971 N/A GLU 888.A N GLU 884.A O no hydrogen 3.373 N/A VAL 890.A N ARG 886.A O no hydrogen 2.959 N/A LEU 891.A N ALA 887.A O no hydrogen 2.878 N/A ARG 893.A N ALA 889.A O no hydrogen 2.847 N/A GLY 894.A N VAL 890.A O no hydrogen 2.867 N/A HIS 896.A N LEU 892.A O no hydrogen 2.878 N/A THR 897.A N GLY 894.A O no hydrogen 2.833 N/A THR 897.A OG1 ARG 893.A O no hydrogen 2.408 N/A THR 897.A OG1 GLY 894.A O no hydrogen 2.881 N/A ARG 898.A N GLY 894.A O no hydrogen 2.355 N/A ARG 898.A NH1 LEU 891.A O no hydrogen 2.377 N/A ARG 898.A NH1 ASP 895.A OD1 no hydrogen 3.380 N/A CYS 899.A SG ASP 895.A O no hydrogen 3.169 N/A VAL 902.A N LEU 780.A O no hydrogen 3.319 N/A PHE 908.A N LEU 905.A O no hydrogen 3.070 N/A CYS 915.A N THR 920.A O no hydrogen 3.430 N/A ILE 916.A N ALA 927.A O no hydrogen 3.143 N/A ARG 919.A N CYS 915.A O no hydrogen 3.240 N/A TYR 940.A N GLU 936.A O no hydrogen 2.818 N/A GLN 941.A N SER 937.A O no hydrogen 2.921 N/A LYS 942.A N GLU 938.A O no hydrogen 2.887 N/A HIS 946.A N GLU 943.A O no hydrogen 3.277 N/A LEU 947.A N GLU 943.A O no hydrogen 3.053 N/A ASN 948.A N VAL 944.A O no hydrogen 2.939 N/A ALA 949.A N HIS 946.A O no hydrogen 3.181 N/A LEU 950.A N HIS 946.A O no hydrogen 3.040 N/A GLU 951.A N LEU 947.A O no hydrogen 3.008 N/A ARG 953.A N LEU 950.A O no hydrogen 3.181 N/A PHE 954.A N LEU 950.A O no hydrogen 3.069 N/A TRP 958.A N PHE 954.A O no hydrogen 3.089 N/A TRP 958.A NE1 ARG 985.A O no hydrogen 3.193 N/A THR 959.A OG1 GLN 962.A OE1 no hydrogen 3.520 N/A GLN 960.A N LEU 957.A O no hydrogen 3.187 N/A ARG 963.A N GLN 960.A O no hydrogen 3.229 N/A ARG 963.A NE THR 959.A O no hydrogen 3.445 N/A CYS 964.A N GLN 960.A O no hydrogen 2.979 N/A GLN 965.A N CYS 961.A O no hydrogen 2.925 N/A GLN 965.A NE2 ASP 971.A O no hydrogen 2.368 N/A GLY 966.A N GLN 962.A O no hydrogen 3.301 N/A HIS 969.A N SER 967.A OG no hydrogen 3.128 N/A ARG 977.A NH1 THR 975.A O no hydrogen 3.369 N/A CYS 979.A N SER 976.A O no hydrogen 3.025 N/A TYR 983.A OH SER 787.A OG no hydrogen 2.383 N/A ARG 985.A N ILE 981.A O no hydrogen 3.096 N/A LYS 990.A N LYS 987.A O no hydrogen 3.176 N/A ASP 991.A N LYS 987.A O no hydrogen 2.959 N/A LEU 992.A N VAL 988.A O no hydrogen 2.939 N/A GLU 993.A N ARG 989.A O no hydrogen 2.909 N/A ASP 994.A N LYS 990.A O no hydrogen 2.944 N/A GLN 995.A N ASP 991.A O no hydrogen 2.973 N/A GLU 996.A N LEU 992.A O no hydrogen 2.953 N/A LEU 998.A N ASP 994.A O no hydrogen 3.167 N/A