Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9b0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N ASP 4.A OD1 no hydrogen 3.097 N/A ARG 6.A NE ASP 4.A OD1 no hydrogen 3.191 N/A ARG 6.A NH2 ASP 4.A OD2 no hydrogen 2.905 N/A THR 9.A N SER 5.A O no hydrogen 3.283 N/A THR 9.A OG1 SER 5.A O no hydrogen 2.642 N/A LEU 10.A N ARG 6.A O no hydrogen 2.908 N/A ILE 11.A N ILE 7.A O no hydrogen 2.976 N/A ARG 12.A N PRO 8.A O no hydrogen 2.859 N/A ASN 13.A N THR 9.A O no hydrogen 2.933 N/A GLY 14.A N LEU 10.A O no hydrogen 2.934 N/A LEU 15.A N ILE 11.A O no hydrogen 2.919 N/A GLN 16.A N ARG 12.A O no hydrogen 2.878 N/A THR 17.A N ASN 13.A O no hydrogen 2.949 N/A THR 17.A OG1 ASN 13.A O no hydrogen 3.208 N/A LYS 18.A NZ GLN 48.A OE1 no hydrogen 3.063 N/A LYS 19.A N GLY 14.A O no hydrogen 2.825 N/A LYS 19.A NZ GLY 419.A O no hydrogen 3.067 N/A ARG 20.A N ASP 420.A OD1 no hydrogen 3.236 N/A ARG 20.A NE ASP 420.A OD2 no hydrogen 2.883 N/A ARG 20.A NH2 ASP 420.A OD2 no hydrogen 2.703 N/A SER 21.A N GLY 113.A O no hydrogen 3.144 N/A PHE 22.A N SER 164.A O no hydrogen 3.060 N/A PHE 23.A N VAL 115.A O no hydrogen 2.828 N/A VAL 24.A N LEU 166.A O no hydrogen 2.985 N/A VAL 25.A N LEU 117.A O no hydrogen 2.956 N/A VAL 26.A N ILE 168.A O no hydrogen 3.193 N/A ILE 34.A N ALA 30.A O no hydrogen 2.925 N/A VAL 35.A N LYS 31.A O no hydrogen 2.914 N/A HIS 36.A N GLU 32.A O no hydrogen 2.901 N/A LEU 37.A N ALA 33.A O no hydrogen 2.915 N/A TYR 38.A N ILE 34.A O no hydrogen 2.911 N/A TYR 39.A N VAL 35.A O no hydrogen 2.929 N/A ILE 40.A N HIS 36.A O no hydrogen 2.931 N/A MET 41.A N LEU 37.A O no hydrogen 2.924 N/A SER 42.A N TYR 38.A O no hydrogen 2.898 N/A SER 43.A N TYR 39.A O no hydrogen 2.930 N/A SER 43.A OG ILE 40.A O no hydrogen 3.313 N/A VAL 46.A N ASP 45.A OD1 no hydrogen 2.747 N/A ARG 47.A N ASP 45.A OD1 no hydrogen 3.410 N/A VAL 52.A N ASP 69.A O no hydrogen 2.984 N/A LEU 53.A N MET 88.A O no hydrogen 2.773 N/A TRP 54.A N ARG 71.A O no hydrogen 3.088 N/A ALA 55.A N ILE 90.A O no hydrogen 3.056 N/A TYR 56.A N CYS 73.A O no hydrogen 3.300 N/A LYS 57.A N ASP 93.A OD2 no hydrogen 2.832 N/A PHE 64.A N PRO 60.A O no hydrogen 2.656 N/A ILE 65.A N PHE 61.A O no hydrogen 2.929 N/A SER 66.A N LEU 63.A O no hydrogen 3.264 N/A SER 66.A OG GLU 62.A O no hydrogen 3.310 N/A SER 66.A OG LEU 63.A O no hydrogen 2.859 N/A LEU 67.A N PHE 64.A O no hydrogen 3.474 N/A ARG 71.A N VAL 52.A O no hydrogen 3.106 N/A CYS 73.A N TRP 54.A O no hydrogen 2.927 N/A CYS 73.A SG TYR 74.A O no hydrogen 3.306 N/A CYS 73.A SG GLU 77.A O no hydrogen 3.128 N/A TYR 75.A N TYR 56.A O no hydrogen 3.244 N/A TYR 75.A OH ASP 93.A O no hydrogen 3.072 N/A GLU 77.A N TYR 74.A O no hydrogen 3.087 N/A THR 78.A OG1 TYR 75.A O no hydrogen 3.220 N/A LYS 80.A N GLU 77.A O no hydrogen 3.085 N/A ASN 84.A ND2 TYR 86.A OH no hydrogen 2.816 N/A TYR 86.A N THR 108.A O no hydrogen 2.757 N/A GLY 87.A N SER 51.A O no hydrogen 2.910 N/A CYS 89.A N LEU 114.A O no hydrogen 3.312 N/A CYS 89.A SG THR 105.A O no hydrogen 3.171 N/A CYS 89.A SG THR 105.A OG1 no hydrogen 2.640 N/A ILE 90.A N LEU 53.A O no hydrogen 3.016 N/A LEU 91.A N VAL 116.A O no hydrogen 3.246 N/A GLN 92.A N ALA 55.A O no hydrogen 3.318 N/A LEU 102.A N THR 98.A O no hydrogen 3.024 N/A ALA 103.A N PRO 99.A O no hydrogen 2.918 N/A ARG 104.A N ASN 100.A O no hydrogen 3.402 N/A THR 105.A N ILE 101.A O no hydrogen 2.962 N/A THR 108.A OG1 THR 105.A O no hydrogen 3.548 N/A VAL 109.A N ILE 106.A O no hydrogen 3.299 N/A GLU 110.A N TYR 86.A O no hydrogen 3.174 N/A GLY 111.A N ARG 415.A O no hydrogen 2.603 N/A GLY 112.A N LYS 19.A O no hydrogen 3.177 N/A GLY 113.A N GLU 110.A O no hydrogen 3.259 N/A VAL 115.A N SER 21.A O no hydrogen 2.774 N/A VAL 116.A N CYS 89.A O no hydrogen 3.142 N/A LEU 117.A N PHE 23.A O no hydrogen 3.007 N/A LEU 118.A N LEU 91.A O no hydrogen 3.065 N/A LEU 119.A N VAL 25.A O no hydrogen 2.900 N/A TYR 129.A N LYS 126.A O no hydrogen 3.223 N/A THR 130.A OG1 THR 130.A O no hydrogen 2.460 N/A THR 132.A OG1 MET 133.A O no hydrogen 3.437 N/A MET 133.A N HIS 136.A ND1 no hydrogen 3.231 N/A ASP 134.A N GLU 95.A O no hydrogen 3.286 N/A HIS 136.A NE2 ASP 484.A OD2 no hydrogen 3.028 N/A ARG 138.A N VAL 135.A O no hydrogen 3.148 N/A TYR 139.A N HIS 136.A O no hydrogen 3.071 N/A ARG 140.A N HIS 136.A O no hydrogen 3.356 N/A THR 141.A N HIS 144.A O no hydrogen 2.806 N/A THR 141.A OG1 TYR 139.A O no hydrogen 3.311 N/A ARG 150.A N ASP 484.A OD1 no hydrogen 3.029 N/A ARG 150.A NH2 ASP 447.A OD1 no hydrogen 3.309 N/A ASN 152.A ND2 LEU 128.A O no hydrogen 3.556 N/A ARG 154.A N ARG 150.A O no hydrogen 3.406 N/A ARG 154.A NE GLU 457.A OE1 no hydrogen 3.260 N/A ARG 154.A NH1 LEU 429.A O no hydrogen 2.557 N/A ARG 154.A NH2 THR 428.A O no hydrogen 3.468 N/A ARG 154.A NH2 LEU 429.A O no hydrogen 3.481 N/A ARG 154.A NH2 GLU 457.A OE2 no hydrogen 2.326 N/A PHE 155.A N PHE 151.A O no hydrogen 2.910 N/A LEU 156.A N ASN 152.A O no hydrogen 3.329 N/A LEU 157.A N GLU 153.A O no hydrogen 2.940 N/A SER 158.A N ARG 154.A O no hydrogen 2.907 N/A SER 158.A OG ARG 154.A O no hydrogen 3.489 N/A SER 158.A OG PHE 155.A O no hydrogen 3.337 N/A LEU 159.A N LEU 156.A O no hydrogen 3.451 N/A SER 161.A N SER 158.A O no hydrogen 3.271 N/A SER 161.A OG SER 158.A O no hydrogen 2.925 N/A CYS 162.A SG ASN 421.A O no hydrogen 3.991 N/A LEU 166.A N PHE 22.A O no hydrogen 2.956 N/A ILE 168.A N VAL 24.A O no hydrogen 2.974 N/A ASP 169.A N ASN 173.A O no hydrogen 3.266 N/A LEU 172.A N ASP 169.A O no hydrogen 3.246 N/A LEU 175.A N VAL 167.A O no hydrogen 3.175 N/A SER 178.A N LEU 175.A O no hydrogen 3.080 N/A SER 178.A OG CYS 165.A O no hydrogen 2.858 N/A LYS 181.A NZ SER 178.A O no hydrogen 2.934 N/A LEU 186.A N ASN 13.A OD1 no hydrogen 3.010 N/A LYS 200.A N SER 196.A O no hydrogen 3.056 N/A GLU 201.A N PRO 197.A O no hydrogen 2.917 N/A LEU 202.A N ALA 198.A O no hydrogen 2.895 N/A LYS 203.A N ALA 199.A O no hydrogen 2.917 N/A LYS 204.A N LYS 200.A O no hydrogen 2.921 N/A ILE 205.A N GLU 201.A O no hydrogen 2.916 N/A LYS 206.A N LEU 202.A O no hydrogen 2.939 N/A LYS 206.A NZ ALA 222.A O no hydrogen 3.490 N/A ASP 207.A N LYS 203.A O no hydrogen 2.907 N/A GLU 208.A N LYS 204.A O no hydrogen 2.956 N/A GLU 210.A N ASP 207.A O no hydrogen 3.235 N/A THR 212.A N LEU 209.A O no hydrogen 3.461 N/A GLY 216.A N THR 212.A O no hydrogen 2.897 N/A SER 217.A OG ALA 299.A O no hydrogen 3.120 N/A LEU 218.A N PRO 214.A O no hydrogen 3.062 N/A ILE 219.A N ILE 215.A O no hydrogen 2.896 N/A LEU 221.A N LEU 218.A O no hydrogen 3.151 N/A ARG 223.A N GLN 227.A OE1 no hydrogen 3.210 N/A GLN 227.A N THR 224.A OG1 no hydrogen 2.980 N/A GLN 227.A NE2 GLY 256.A O no hydrogen 3.345 N/A ALA 228.A N THR 224.A O no hydrogen 3.112 N/A LYS 229.A N VAL 225.A O no hydrogen 2.932 N/A ALA 230.A N ASP 226.A O no hydrogen 2.907 N/A LEU 231.A N GLN 227.A O no hydrogen 2.920 N/A LEU 232.A N ALA 228.A O no hydrogen 2.891 N/A THR 233.A N LYS 229.A O no hydrogen 2.939 N/A THR 233.A OG1 LYS 229.A O no hydrogen 2.950 N/A PHE 234.A N ALA 230.A O no hydrogen 2.935 N/A VAL 235.A N LEU 231.A O no hydrogen 2.904 N/A ASP 236.A N LEU 232.A O no hydrogen 2.868 N/A ALA 237.A N THR 233.A O no hydrogen 2.951 N/A ILE 238.A N PHE 234.A O no hydrogen 2.933 N/A ALA 239.A N VAL 235.A O no hydrogen 2.868 N/A GLU 240.A N ASP 236.A O no hydrogen 3.344 N/A LYS 241.A N ILE 238.A O no hydrogen 3.151 N/A LYS 241.A NZ TYR 271.A O no hydrogen 3.111 N/A THR 242.A OG1 GLU 240.A O no hydrogen 3.362 N/A ASN 245.A ND2 ALA 237.A O no hydrogen 3.545 N/A VAL 247.A N VAL 374.A O no hydrogen 3.287 N/A THR 248.A N LYS 406.A O no hydrogen 3.016 N/A LEU 249.A N MET 376.A O no hydrogen 2.852 N/A THR 250.A N ILE 408.A O no hydrogen 3.321 N/A ALA 251.A N SER 378.A O no hydrogen 3.425 N/A ARG 253.A NE GLU 107.A OE1 no hydrogen 2.798 N/A ARG 253.A NH2 GLU 107.A OE1 no hydrogen 3.417 N/A ARG 253.A NH2 GLU 107.A OE2 no hydrogen 2.355 N/A ARG 255.A NE SER 411.A O no hydrogen 2.881 N/A LYS 257.A NZ ALA 252.A O no hydrogen 2.892 N/A MET 261.A N LYS 257.A O no hydrogen 2.946 N/A GLY 262.A N SER 258.A O no hydrogen 2.877 N/A VAL 263.A N ALA 259.A O no hydrogen 2.954 N/A ALA 264.A N ALA 260.A O no hydrogen 2.933 N/A ILE 265.A N MET 261.A O no hydrogen 2.921 N/A ALA 266.A N GLY 262.A O no hydrogen 3.261 N/A ALA 267.A N VAL 263.A O no hydrogen 2.966 N/A ALA 268.A N ALA 264.A O no hydrogen 2.912 N/A VAL 269.A N ILE 265.A O no hydrogen 2.910 N/A ALA 270.A N ALA 266.A O no hydrogen 2.916 N/A TYR 271.A N ALA 267.A O no hydrogen 2.943 N/A TYR 271.A N ALA 268.A O no hydrogen 3.185 N/A GLY 272.A N VAL 269.A O no hydrogen 3.193 N/A TYR 273.A N ALA 268.A O no hydrogen 3.265 N/A TYR 273.A OH ILE 238.A O no hydrogen 3.348 N/A SER 274.A N GLU 350.A OE1 no hydrogen 3.063 N/A ASN 275.A N GLU 350.A OE1 no hydrogen 3.489 N/A PHE 277.A N LEU 351.A O no hydrogen 2.917 N/A ILE 278.A N GLN 336.A O no hydrogen 2.839 N/A THR 279.A N VAL 353.A O no hydrogen 2.953 N/A SER 280.A OG SER 282.A O no hydrogen 2.616 N/A ASN 285.A N SER 282.A O no hydrogen 3.210 N/A LYS 287.A NZ LEU 82.A O no hydrogen 3.438 N/A PHE 290.A N LEU 286.A O no hydrogen 2.953 N/A PHE 292.A N THR 288.A O no hydrogen 2.950 N/A VAL 293.A N LEU 289.A O no hydrogen 2.976 N/A LYS 295.A N GLU 291.A O no hydrogen 2.955 N/A LYS 295.A NZ GLU 291.A OE2 no hydrogen 3.517 N/A GLY 296.A N PHE 292.A O no hydrogen 2.916 N/A PHE 297.A N VAL 293.A O no hydrogen 2.968 N/A ASP 298.A N PHE 294.A O no hydrogen 2.877 N/A ALA 299.A N LYS 295.A O no hydrogen 2.932 N/A LEU 300.A N PHE 297.A O no hydrogen 3.044 N/A ASP 301.A N ASP 298.A O no hydrogen 3.153 N/A TYR 302.A N PHE 297.A O no hydrogen 3.158 N/A LYS 303.A N ASP 307.A OD2 no hydrogen 2.528 N/A HIS 305.A N TYR 308.A O no hydrogen 3.213 N/A ASP 307.A N LYS 303.A O no hydrogen 3.048 N/A THR 309.A N ASN 326.A O no hydrogen 2.952 N/A ILE 311.A N ARG 324.A O no hydrogen 2.847 N/A SER 313.A N ALA 321.A O no hydrogen 3.476 N/A ASN 319.A N GLU 317.A O no hydrogen 2.742 N/A LYS 320.A N ASN 319.A OD1 no hydrogen 2.622 N/A ALA 321.A N PHE 318.A O no hydrogen 3.265 N/A VAL 323.A N ILE 311.A O no hydrogen 3.320 N/A ARG 324.A N ILE 311.A O no hydrogen 3.328 N/A ARG 324.A NE ASN 326.A OD1 no hydrogen 3.490 N/A ARG 324.A NH1 GLN 336.A OE1 no hydrogen 3.178 N/A VAL 325.A N ILE 335.A O no hydrogen 2.928 N/A ASN 326.A N THR 309.A O no hydrogen 3.007 N/A ILE 327.A N GLN 333.A O no hydrogen 2.633 N/A HIS 328.A N ASP 307.A O no hydrogen 3.118 N/A GLN 333.A N ILE 327.A O no hydrogen 2.689 N/A GLN 333.A NE2 VAL 269.A O no hydrogen 3.435 N/A GLN 333.A NE2 TYR 273.A O no hydrogen 2.381 N/A THR 334.A N SER 274.A O no hydrogen 3.187 N/A THR 334.A OG1 VAL 325.A O no hydrogen 3.205 N/A THR 334.A OG1 ASN 326.A OD1 no hydrogen 3.217 N/A ILE 335.A N VAL 325.A O no hydrogen 2.829 N/A GLN 336.A N ILE 276.A O no hydrogen 2.900 N/A TYR 337.A N VAL 323.A O no hydrogen 2.978 N/A ILE 338.A N ILE 278.A O no hydrogen 3.028 N/A ARG 339.A NE ASP 342.A OD2 no hydrogen 3.480 N/A ARG 339.A NH2 ASP 342.A OD1 no hydrogen 3.404 N/A ASP 342.A N ARG 339.A O no hydrogen 3.025 N/A VAL 345.A N ASP 342.A O no hydrogen 3.360 N/A GLU 350.A N ASN 275.A O no hydrogen 3.189 N/A VAL 352.A N LEU 373.A O no hydrogen 3.001 N/A VAL 353.A N PHE 277.A O no hydrogen 2.902 N/A ILE 354.A N PHE 375.A O no hydrogen 2.823 N/A ASP 355.A N THR 279.A O no hydrogen 3.064 N/A ALA 357.A N ALA 377.A O no hydrogen 3.041 N/A LEU 364.A N PRO 361.A O no hydrogen 3.140 N/A VAL 365.A N PRO 361.A O no hydrogen 3.459 N/A LYS 366.A N LEU 362.A O no hydrogen 2.891 N/A LYS 367.A N PRO 363.A O no hydrogen 2.914 N/A LEU 368.A N LEU 364.A O no hydrogen 2.941 N/A LEU 368.A N VAL 365.A O no hydrogen 3.047 N/A TYR 372.A OH LEU 368.A O no hydrogen 2.973 N/A LEU 373.A N GLU 350.A O no hydrogen 3.463 N/A VAL 374.A N ASN 245.A O no hydrogen 3.498 N/A PHE 375.A N VAL 352.A O no hydrogen 3.039 N/A MET 376.A N VAL 247.A O no hydrogen 2.983 N/A ALA 377.A N ILE 354.A O no hydrogen 3.387 N/A SER 378.A N LEU 249.A O no hydrogen 2.966 N/A THR 379.A OG1 GLU 356.A OE1 no hydrogen 3.179 N/A THR 379.A OG1 GLU 356.A OE2 no hydrogen 3.282 N/A ILE 380.A N ALA 251.A O no hydrogen 3.121 N/A TYR 383.A OH ASN 100.A OD1 no hydrogen 2.562 N/A THR 386.A OG1 THR 379.A O no hydrogen 3.541 N/A THR 386.A OG1 TYR 472.A O no hydrogen 3.373 N/A GLY 387.A N HIS 471.A O no hydrogen 3.184 N/A ARG 388.A NH2 ASP 566.A OD1 no hydrogen 3.398 N/A SER 389.A OG ALA 469.A O no hydrogen 2.473 N/A SER 391.A N GLY 387.A O no hydrogen 3.327 N/A LEU 392.A N ARG 388.A O no hydrogen 2.897 N/A LYS 393.A N SER 389.A O no hydrogen 2.950 N/A LEU 394.A N LEU 390.A O no hydrogen 2.943 N/A ILE 395.A N SER 391.A O no hydrogen 2.955 N/A LYS 396.A N LEU 392.A O no hydrogen 2.893 N/A GLN 397.A N LYS 393.A O no hydrogen 2.929 N/A LEU 398.A N LEU 394.A O no hydrogen 2.971 N/A ARG 399.A N ILE 395.A O no hydrogen 2.900 N/A ARG 399.A NE GLU 407.A OE2 no hydrogen 3.322 N/A GLU 400.A N LYS 396.A O no hydrogen 2.892 N/A GLN 401.A N GLN 397.A O no hydrogen 2.931 N/A SER 402.A N LEU 398.A O no hydrogen 3.290 N/A SER 402.A OG LEU 398.A O no hydrogen 3.355 N/A ARG 403.A NH2 THR 246.A OG1 no hydrogen 3.141 N/A ARG 403.A NH2 TYR 372.A O no hydrogen 2.816 N/A SER 404.A N ARG 244.A O no hydrogen 2.956 N/A LYS 406.A N THR 246.A O no hydrogen 2.992 N/A ILE 408.A N THR 248.A O no hydrogen 3.120 N/A TYR 416.A OH GLU 423.A OE2 no hydrogen 2.880 N/A ALA 417.A N LYS 18.A O no hydrogen 3.020 N/A ASN 421.A ND2 SER 164.A OG no hydrogen 2.601 N/A LYS 424.A N ASP 420.A O no hydrogen 3.351 N/A TRP 425.A N ASN 421.A O no hydrogen 2.920 N/A TRP 425.A NE1 SER 158.A OG no hydrogen 2.935 N/A LEU 426.A N VAL 422.A O no hydrogen 2.912 N/A ASN 427.A N GLU 423.A O no hydrogen 2.901 N/A THR 428.A N LYS 424.A O no hydrogen 2.938 N/A THR 428.A OG1 LYS 424.A O no hydrogen 3.209 N/A LEU 429.A N TRP 425.A O no hydrogen 2.903 N/A LEU 430.A N LEU 426.A O no hydrogen 3.175 N/A CYS 431.A N THR 428.A O no hydrogen 3.407 N/A CYS 431.A SG THR 428.A O no hydrogen 4.047 N/A CYS 431.A SG GLN 461.A OE1 no hydrogen 3.260 N/A LEU 432.A N ASN 427.A O no hydrogen 3.134 N/A SER 437.A N ASP 435.A OD1 no hydrogen 2.826 N/A SER 437.A OG ASP 435.A OD1 no hydrogen 3.002 N/A GLN 438.A N ASP 435.A O no hydrogen 3.125 N/A CYS 439.A N PRO 436.A O no hydrogen 3.197 N/A CYS 439.A SG ASP 435.A O no hydrogen 3.741 N/A CYS 439.A SG PRO 436.A O no hydrogen 3.723 N/A GLU 440.A N THR 494.A O no hydrogen 2.723 N/A LEU 442.A N VAL 492.A O no hydrogen 2.849 N/A HIS 443.A N SER 595.A O no hydrogen 3.121 N/A VAL 444.A N LEU 490.A O no hydrogen 3.051 N/A ASN 445.A N LEU 593.A O no hydrogen 3.084 N/A ARG 446.A NH1 ALA 485.A O no hydrogen 3.493 N/A ARG 446.A NH2 ALA 485.A O no hydrogen 2.532 N/A ASP 447.A N ASN 445.A OD1 no hydrogen 2.837 N/A LEU 449.A N ASN 445.A O no hydrogen 3.354 N/A SER 451.A N THR 448.A O no hydrogen 3.369 N/A SER 451.A OG THR 448.A O no hydrogen 2.713 N/A SER 456.A OG THR 448.A O no hydrogen 3.137 N/A GLU 457.A N HIS 453.A O no hydrogen 2.681 N/A LYS 458.A N PRO 454.A O no hydrogen 2.927 N/A PHE 459.A N VAL 455.A O no hydrogen 2.966 N/A LEU 460.A N SER 456.A O no hydrogen 2.863 N/A GLN 461.A N GLU 457.A O no hydrogen 2.973 N/A GLN 461.A NE2 THR 428.A O no hydrogen 3.299 N/A GLN 462.A N LYS 458.A O no hydrogen 3.439 N/A MET 463.A N PHE 459.A O no hydrogen 2.971 N/A VAL 464.A N LEU 460.A O no hydrogen 2.940 N/A ALA 465.A N GLN 461.A O no hydrogen 2.903 N/A LEU 466.A N GLN 462.A O no hydrogen 3.199 N/A LEU 466.A N MET 463.A O no hydrogen 2.934 N/A TYR 467.A N MET 463.A O no hydrogen 2.993 N/A VAL 468.A N VAL 464.A O no hydrogen 3.253 N/A HIS 471.A N VAL 468.A O no hydrogen 3.511 N/A ASN 474.A N GLY 385.A O no hydrogen 2.583 N/A SER 475.A OG ASP 478.A OD2 no hydrogen 3.071 N/A LEU 481.A N ASN 477.A O no hydrogen 2.983 N/A MET 482.A N ASP 478.A O no hydrogen 2.856 N/A SER 483.A N LEU 479.A O no hydrogen 2.913 N/A SER 483.A OG ASP 484.A OD1 no hydrogen 3.030 N/A ASP 484.A N GLN 480.A O no hydrogen 2.924 N/A ALA 485.A N LEU 481.A O no hydrogen 3.112 N/A GLU 489.A N VAL 511.A O no hydrogen 2.984 N/A PHE 491.A N ILE 509.A O no hydrogen 2.864 N/A VAL 492.A N LEU 442.A O no hydrogen 3.008 N/A LEU 493.A N CYS 507.A O no hydrogen 2.962 N/A THR 494.A N GLU 440.A O no hydrogen 2.997 N/A THR 494.A OG1 GLY 495.A O no hydrogen 3.311 N/A GLU 499.A N GLU 499.A OE1 no hydrogen 2.661 N/A LEU 506.A N LEU 493.A O no hydrogen 3.110 N/A CYS 507.A SG VAL 508.A O no hydrogen 3.870 N/A CYS 507.A SG ALA 562.A O no hydrogen 3.617 N/A VAL 508.A N ALA 562.A O no hydrogen 3.123 N/A ILE 509.A N PHE 491.A O no hydrogen 2.780 N/A GLN 510.A N ARG 560.A O no hydrogen 2.809 N/A VAL 511.A N GLU 489.A O no hydrogen 3.011 N/A SER 512.A N ARG 557.A O no hydrogen 2.877 N/A GLU 514.A N GLY 555.A O no hydrogen 2.731 N/A LYS 516.A N LEU 553.A O no hydrogen 2.483 N/A ILE 517.A N ALA 551.A O no hydrogen 3.091 N/A SER 518.A N GLU 142.A OE2 no hydrogen 2.962 N/A ILE 522.A N SER 518.A O no hydrogen 3.260 N/A LEU 523.A N LYS 519.A O no hydrogen 2.905 N/A LYS 524.A N GLN 520.A O no hydrogen 2.914 N/A SER 525.A N SER 521.A O no hydrogen 2.899 N/A SER 525.A OG SER 521.A O no hydrogen 2.909 N/A LEU 526.A N ILE 522.A O no hydrogen 2.887 N/A SER 527.A N LEU 523.A O no hydrogen 3.184 N/A SER 527.A OG LEU 523.A O no hydrogen 3.080 N/A SER 527.A OG LYS 524.A O no hydrogen 3.189 N/A ARG 528.A N SER 525.A O no hydrogen 3.076 N/A ARG 528.A NH1 GLN 530.A OE1 no hydrogen 3.131 N/A LEU 536.A N GLU 514.A OE1 no hydrogen 3.383 N/A ILE 537.A N GLU 514.A OE1 no hydrogen 3.280 N/A LEU 540.A N ILE 537.A O no hydrogen 3.390 N/A VAL 541.A N ILE 537.A O no hydrogen 3.288 N/A GLN 544.A N LEU 540.A O no hydrogen 2.903 N/A PHE 545.A N VAL 541.A O no hydrogen 2.909 N/A GLN 546.A NE2 GLN 543.A O no hydrogen 3.112 N/A ASP 547.A N SER 542.A O no hydrogen 3.289 N/A GLU 549.A N ASP 547.A OD2 no hydrogen 3.352 N/A PHE 550.A N ASP 547.A OD2 no hydrogen 3.113 N/A SER 552.A OG GLU 549.A O no hydrogen 3.089 N/A LEU 553.A N PHE 550.A O no hydrogen 3.197 N/A SER 554.A N ASP 606.A OD2 no hydrogen 3.105 N/A GLY 555.A N GLU 514.A O no hydrogen 2.720 N/A ALA 556.A N TYR 607.A O no hydrogen 3.226 N/A ARG 557.A N SER 512.A O no hydrogen 2.714 N/A ARG 557.A NE GLU 514.A OE2 no hydrogen 3.526 N/A ILE 558.A N GLY 609.A O no hydrogen 3.056 N/A VAL 559.A N GLN 510.A O no hydrogen 2.944 N/A ARG 560.A N GLN 510.A O no hydrogen 3.397 N/A ARG 560.A NH2 GLN 510.A OE1 no hydrogen 3.051 N/A ALA 562.A N VAL 508.A O no hydrogen 3.153 N/A ASN 564.A N LEU 506.A O no hydrogen 3.016 N/A TYR 567.A N ASN 564.A O no hydrogen 2.822 N/A TYR 567.A OH GLU 504.A OE2 no hydrogen 3.029 N/A TYR 572.A OH PRO 434.A O no hydrogen 2.887 N/A ALA 576.A N TYR 572.A O no hydrogen 2.922 N/A LEU 577.A N GLY 573.A O no hydrogen 2.924 N/A GLN 578.A N SER 574.A O no hydrogen 2.908 N/A LEU 579.A N LYS 575.A O no hydrogen 2.916 N/A LEU 580.A N ALA 576.A O no hydrogen 2.929 N/A VAL 581.A N LEU 577.A O no hydrogen 2.924 N/A ASP 582.A N GLN 578.A O no hydrogen 2.908 N/A TYR 583.A N LEU 579.A O no hydrogen 2.895 N/A TYR 584.A N LEU 580.A O no hydrogen 2.960 N/A GLU 585.A N ASP 582.A O no hydrogen 3.210 N/A GLY 586.A N TYR 583.A O no hydrogen 3.351 N/A LYS 587.A N ASP 582.A O no hydrogen 3.085 N/A LYS 587.A NZ GLU 585.A OE1 no hydrogen 3.330 N/A SER 595.A N HIS 443.A O no hydrogen 3.145 N/A GLU 599.A N LYS 596.A O no hydrogen 3.227 N/A ARG 600.A N LEU 597.A O no hydrogen 3.331 N/A ARG 600.A NE TYR 583.A OH no hydrogen 2.879 N/A ARG 601.A NH2 ALA 589.A O no hydrogen 2.344 N/A ASP 606.A N SER 554.A O no hydrogen 2.837 N/A VAL 608.A N ARG 649.A O no hydrogen 2.954 N/A GLY 609.A N ALA 556.A O no hydrogen 2.872 N/A VAL 610.A N MET 647.A O no hydrogen 2.963 N/A TYR 612.A N CYS 645.A O no hydrogen 3.118 N/A LEU 614.A N HIS 643.A O no hydrogen 2.809 N/A THR 615.A OG1 GLY 613.A O no hydrogen 3.566 N/A THR 615.A OG1 GLU 642.A OE2 no hydrogen 3.171 N/A HIS 619.A N THR 615.A O no hydrogen 2.766 N/A LYS 620.A N GLN 616.A O no hydrogen 2.940 N/A PHE 621.A N GLN 617.A O no hydrogen 3.358 N/A TRP 622.A N LEU 618.A O no hydrogen 2.979 N/A LYS 623.A N HIS 619.A O no hydrogen 2.854 N/A ARG 624.A N LYS 620.A O no hydrogen 2.966 N/A ALA 625.A N TRP 622.A O no hydrogen 3.283 N/A GLN 626.A N LYS 623.A O no hydrogen 3.079 N/A VAL 628.A N ILE 648.A O no hydrogen 3.092 N/A VAL 630.A N VAL 646.A O no hydrogen 2.847 N/A ARG 633.A N THR 644.A O no hydrogen 3.030 N/A ASN 637.A N GLU 642.A O no hydrogen 3.055 N/A GLY 641.A N ASN 637.A O no hydrogen 2.709 N/A HIS 643.A ND1 ARG 633.A O no hydrogen 2.886 N/A CYS 645.A N TYR 612.A O no hydrogen 2.782 N/A CYS 645.A SG TYR 631.A O no hydrogen 3.734 N/A VAL 646.A N TYR 631.A O no hydrogen 3.242 N/A MET 647.A N VAL 610.A O no hydrogen 3.073 N/A ILE 648.A N VAL 628.A O no hydrogen 2.993 N/A ARG 649.A N VAL 608.A O no hydrogen 2.738 N/A GLN 652.A N ASP 606.A O no hydrogen 3.318 N/A GLN 652.A NE2 ASP 606.A OD1 no hydrogen 3.232 N/A ASP 653.A N GLN 652.A OE1 no hydrogen 2.917 N/A SER 658.A OG ASP 656.A OD2 no hydrogen 3.197 N/A ALA 664.A N LEU 660.A O no hydrogen 2.944 N/A ALA 665.A N GLY 661.A O no hydrogen 2.905 N/A ASP 666.A N ALA 662.A O no hydrogen 2.927 N/A PHE 667.A N PHE 663.A O no hydrogen 2.937 N/A HIS 668.A N ALA 664.A O no hydrogen 2.897 N/A HIS 668.A NE2 GLU 691.A OE2 no hydrogen 3.168 N/A LYS 669.A N ALA 665.A O no hydrogen 2.941 N/A ARG 670.A N ASP 666.A O no hydrogen 2.947 N/A ARG 670.A NH1 ASP 666.A OD2 no hydrogen 2.535 N/A ARG 670.A NH2 GLN 544.A O no hydrogen 3.450 N/A PHE 671.A N PHE 667.A O no hydrogen 2.884 N/A SER 673.A OG LYS 669.A O no hydrogen 3.420 N/A LEU 674.A N ARG 670.A O no hydrogen 2.915 N/A SER 676.A OG LEU 774.A O no hydrogen 2.887 N/A TYR 677.A N LEU 674.A O no hydrogen 3.181 N/A ALA 687.A N PRO 683.A O no hydrogen 3.230 N/A LEU 688.A N SER 684.A O no hydrogen 2.905 N/A THR 689.A N ILE 685.A O no hydrogen 2.945 N/A THR 689.A OG1 ILE 685.A O no hydrogen 3.457 N/A THR 689.A OG1 LEU 686.A O no hydrogen 2.840 N/A ILE 690.A N LEU 686.A O no hydrogen 3.375 N/A GLU 691.A N ALA 687.A O no hydrogen 2.936 N/A GLU 692.A N LEU 688.A O no hydrogen 2.907 N/A SER 693.A N THR 689.A O no hydrogen 2.917 N/A ALA 694.A N ILE 690.A O no hydrogen 2.914 N/A ASN 695.A N GLU 691.A O no hydrogen 2.921 N/A ALA 696.A N GLU 692.A O no hydrogen 2.913 N/A GLY 697.A N SER 693.A O no hydrogen 2.906 N/A ALA 698.A N ALA 694.A O no hydrogen 2.926 N/A MET 699.A N ALA 696.A O no hydrogen 3.460 N/A SER 703.A N ASP 701.A OD1 no hydrogen 3.386 N/A SER 703.A OG ASP 701.A OD1 no hydrogen 3.095 N/A ASN 704.A N ASP 701.A O no hydrogen 2.980 N/A LEU 709.A N GLU 708.A OE1 no hydrogen 2.956 N/A THR 710.A OG1 GLU 713.A OE1 no hydrogen 3.024 N/A LEU 714.A N THR 710.A O no hydrogen 2.981 N/A ASP 715.A N LYS 711.A O no hydrogen 2.914 N/A GLN 716.A N GLU 713.A O no hydrogen 3.223 N/A LEU 717.A N LEU 714.A O no hydrogen 2.977 N/A PHE 718.A N LEU 714.A O no hydrogen 3.151 N/A THR 719.A OG1 ASP 722.A OD1 no hydrogen 2.829 N/A ASP 722.A N THR 719.A OG1 no hydrogen 3.302 N/A HIS 723.A N THR 719.A O no hydrogen 3.060 N/A LYS 724.A N PRO 720.A O no hydrogen 2.921 N/A ARG 725.A N PHE 721.A O no hydrogen 2.900 N/A LEU 726.A N ASP 722.A O no hydrogen 2.921 N/A GLU 727.A N HIS 723.A O no hydrogen 2.905 N/A SER 728.A N LYS 724.A O no hydrogen 2.901 N/A SER 728.A OG LYS 724.A O no hydrogen 2.879 N/A SER 728.A OG ARG 725.A O no hydrogen 2.561 N/A TYR 729.A N ARG 725.A O no hydrogen 2.940 N/A ALA 730.A N LEU 726.A O no hydrogen 2.933 N/A ASN 731.A N GLU 727.A O no hydrogen 3.212 N/A GLY 732.A N TYR 729.A O no hydrogen 2.990 N/A LEU 733.A N SER 728.A O no hydrogen 3.073 N/A VAL 738.A N ASP 735.A O no hydrogen 3.125 N/A THR 745.A OG1 LEU 742.A O no hydrogen 2.665 N/A ILE 746.A N LEU 742.A O no hydrogen 3.254 N/A ALA 747.A N MET 743.A O no hydrogen 2.915 N/A GLN 748.A N PRO 744.A O no hydrogen 2.910 N/A LEU 749.A N THR 745.A O no hydrogen 2.892 N/A TYR 750.A N ILE 746.A O no hydrogen 2.939 N/A PHE 751.A N ALA 747.A O no hydrogen 2.915 N/A LEU 755.A N LEU 749.A O no hydrogen 3.294 N/A ARG 756.A NH1 GLU 691.A OE2 no hydrogen 3.249 N/A GLU 757.A N GLU 757.A OE1 no hydrogen 2.626 N/A VAL 759.A N LEU 755.A O no hydrogen 3.372 N/A SER 762.A N GLN 765.A OE1 no hydrogen 3.296 N/A GLN 766.A N SER 762.A O no hydrogen 2.936 N/A GLN 766.A NE2 TYR 750.A OH no hydrogen 3.518 N/A ALA 767.A N GLY 763.A O no hydrogen 2.918 N/A ILE 768.A N LEU 764.A O no hydrogen 2.942 N/A LEU 769.A N GLN 765.A O no hydrogen 2.910 N/A LEU 770.A N GLN 766.A O no hydrogen 2.895 N/A ALA 771.A N ALA 767.A O no hydrogen 2.940 N/A LEU 772.A N ILE 768.A O no hydrogen 2.950 N/A GLY 773.A N LEU 769.A O no hydrogen 2.914 N/A LEU 774.A N LEU 770.A O no hydrogen 2.892 N/A GLN 775.A N ALA 771.A O no hydrogen 2.945 N/A GLN 775.A NE2 PHE 679.A O no hydrogen 2.516 N/A GLN 775.A NE2 PHE 682.A O no hydrogen 3.270 N/A ARG 776.A NH1 SER 676.A OG no hydrogen 2.492 N/A ARG 776.A NH1 LEU 774.A O no hydrogen 3.215 N/A LYS 777.A NZ PHE 682.A O no hydrogen 3.116 N/A LYS 777.A NZ GLU 785.A OE1 no hydrogen 3.004 N/A LYS 777.A NZ GLU 785.A OE2 no hydrogen 2.676 N/A LEU 782.A N ASP 778.A O no hydrogen 3.072 N/A ALA 783.A N ILE 779.A O no hydrogen 2.905 N/A THR 784.A N ASP 780.A O no hydrogen 3.279 N/A GLU 785.A N THR 781.A O no hydrogen 3.225 N/A LEU 786.A N LEU 782.A O no hydrogen 3.066 N/A ASN 787.A N THR 784.A O no hydrogen 3.303 N/A LEU 788.A N ALA 783.A O no hydrogen 3.161 N/A GLN 792.A N PRO 789.A O no hydrogen 3.154 N/A VAL 793.A N PRO 789.A O no hydrogen 3.298 N/A ILE 796.A N GLN 792.A O no hydrogen 3.392 N/A PHE 797.A N VAL 793.A O no hydrogen 3.181 N/A MET 798.A N LEU 794.A O no hydrogen 3.092 N/A LYS 803.A NZ LYS 799.A O no hydrogen 3.131 N/A VAL 804.A N ILE 800.A O no hydrogen 3.383 N/A THR 805.A N MET 801.A O no hydrogen 3.430 N/A THR 805.A OG1 MET 801.A O no hydrogen 2.738 N/A PHE 808.A N VAL 804.A O no hydrogen 2.940 N/A GLY 809.A N THR 805.A O no hydrogen 2.887 N/A ALA 810.A N GLN 806.A O no hydrogen 2.924 N/A LEU 811.A N HIS 807.A O no hydrogen 2.898 N/A VAL 812.A N PHE 808.A O no hydrogen 2.918 N/A SER 813.A N GLY 809.A O no hydrogen 2.905 N/A SER 813.A OG GLY 809.A O no hydrogen 3.281 N/A SER 813.A OG ALA 810.A O no hydrogen 3.388 N/A GLY 814.A N ALA 810.A O no hydrogen 2.900 N/A