Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8i0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ASP 4.A OD2 no hydrogen 3.015 N/A ALA 7.A N ASP 4.A O no hydrogen 2.964 N/A GLN 9.A N HIS 5.A O no hydrogen 3.100 N/A SER 10.A N LEU 6.A O no hydrogen 3.020 N/A SER 10.A OG ALA 7.A O no hydrogen 2.437 N/A LEU 11.A N ALA 7.A O no hydrogen 2.534 N/A ILE 12.A N VAL 8.A O no hydrogen 3.007 N/A ARG 13.A N GLN 9.A O no hydrogen 3.303 N/A ALA 14.A N SER 10.A O no hydrogen 3.225 N/A GLN 16.A N ILE 12.A O no hydrogen 3.049 N/A GLN 16.A NE2 THR 69.A O no hydrogen 3.529 N/A GLN 16.A NE2 GLU 117.A OE2 no hydrogen 2.629 N/A ILE 17.A N ARG 13.A O no hydrogen 2.737 N/A ILE 17.A N ALA 14.A O no hydrogen 2.996 N/A ARG 18.A N TYR 15.A O no hydrogen 3.033 N/A GLY 19.A N TYR 15.A O no hydrogen 2.658 N/A HIS 20.A ND1 TYR 338.A OH no hydrogen 3.287 N/A HIS 21.A N ARG 18.A O no hydrogen 2.909 N/A VAL 22.A N GLY 19.A O no hydrogen 2.934 N/A SER 37.A OG ASP 32.A OD1 no hydrogen 2.951 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.408 N/A LYS 49.A N SER 46.A O no hydrogen 3.168 N/A LYS 49.A NZ SER 45.A OG no hydrogen 2.765 N/A LYS 49.A NZ SER 46.A OG no hydrogen 2.575 N/A LEU 50.A N THR 47.A O no hydrogen 2.932 N/A GLY 51.A N ASP 48.A O no hydrogen 2.938 N/A PHE 52.A N LYS 49.A O no hydrogen 2.897 N/A TYR 53.A N LEU 50.A O no hydrogen 2.927 N/A TYR 53.A OH ASP 42.A O no hydrogen 2.942 N/A GLY 54.A N GLY 51.A O no hydrogen 3.150 N/A LEU 55.A N LEU 50.A O no hydrogen 2.980 N/A ASP 56.A N ASP 59.A OD2 no hydrogen 3.087 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 3.059 N/A SER 58.A OG ASP 56.A OD2 no hydrogen 3.260 N/A ASP 59.A N ASP 56.A O no hydrogen 3.228 N/A PHE 64.A N LEU 79.A O no hydrogen 2.776 N/A LEU 66.A N SER 77.A O no hydrogen 3.061 N/A THR 70.A OG1 PRO 67.A O no hydrogen 2.974 N/A PHE 71.A N GLU 117.A OE1 no hydrogen 3.026 N/A GLU 76.A N GLY 73.A O no hydrogen 2.940 N/A LEU 79.A N PHE 64.A O no hydrogen 2.921 N/A ARG 82.A N LEU 60.A O no hydrogen 3.156 N/A ILE 84.A N PRO 80.A O no hydrogen 2.928 N/A ILE 85.A N LEU 81.A O no hydrogen 2.915 N/A ARG 86.A N ARG 82.A O no hydrogen 3.166 N/A ARG 86.A NE GLU 83.A OE2 no hydrogen 2.633 N/A ARG 86.A NH2 GLU 83.A OE2 no hydrogen 2.965 N/A ARG 87.A N GLU 83.A O no hydrogen 3.023 N/A LEU 88.A N ILE 84.A O no hydrogen 3.122 N/A GLU 89.A N ILE 85.A O no hydrogen 3.131 N/A MET 90.A N ARG 86.A O no hydrogen 3.179 N/A ALA 91.A N ARG 87.A O no hydrogen 3.171 N/A TYR 92.A N LEU 88.A O no hydrogen 3.292 N/A TYR 92.A OH GLU 117.A OE2 no hydrogen 3.221 N/A CYS 93.A N GLU 89.A O no hydrogen 2.771 N/A GLY 97.A N HIS 352.A O no hydrogen 2.881 N/A GLU 99.A N ILE 350.A O no hydrogen 2.890 N/A CYS 109.A SG ASP 105.A O no hydrogen 3.581 N/A GLN 110.A N LEU 106.A O no hydrogen 3.048 N/A GLN 110.A NE2 THR 68.A O no hydrogen 3.454 N/A TRP 111.A N GLU 107.A O no hydrogen 3.448 N/A ILE 112.A N GLN 108.A O no hydrogen 3.296 N/A ARG 113.A N CYS 109.A O no hydrogen 2.930 N/A GLN 114.A N GLN 110.A O no hydrogen 2.919 N/A LYS 115.A N TRP 111.A O no hydrogen 2.958 N/A LYS 115.A NZ GLU 370.A OE1 no hydrogen 3.147 N/A PHE 116.A N ILE 112.A O no hydrogen 3.003 N/A GLU 117.A N ARG 113.A O no hydrogen 2.895 N/A THR 125.A OG1 GLU 127.A OE2 no hydrogen 3.097 N/A THR 125.A OG1 GLU 128.A OE2 no hydrogen 3.444 N/A LYS 129.A N THR 125.A O no hydrogen 3.264 N/A LYS 129.A NZ GLN 425.A OE1 no hydrogen 3.521 N/A ARG 130.A N ASN 126.A O no hydrogen 2.936 N/A ARG 130.A NE VAL 427.A O no hydrogen 3.140 N/A ARG 130.A NH2 VAL 427.A O no hydrogen 3.031 N/A THR 131.A N GLU 127.A O no hydrogen 3.085 N/A THR 131.A OG1 GLU 127.A O no hydrogen 2.934 N/A LEU 132.A N GLU 128.A O no hydrogen 2.990 N/A LEU 133.A N LYS 129.A O no hydrogen 2.931 N/A ALA 134.A N ARG 130.A O no hydrogen 2.990 N/A ARG 135.A N THR 131.A O no hydrogen 2.996 N/A ARG 135.A NH2 ASP 173.A OD2 no hydrogen 3.394 N/A LEU 136.A N LEU 132.A O no hydrogen 2.937 N/A VAL 137.A N LEU 133.A O no hydrogen 2.951 N/A ARG 138.A N ALA 134.A O no hydrogen 3.034 N/A SER 139.A N ARG 135.A O no hydrogen 2.968 N/A SER 139.A OG GLU 162.A O no hydrogen 3.471 N/A THR 140.A N LEU 136.A O no hydrogen 2.999 N/A THR 140.A OG1 LEU 136.A O no hydrogen 3.044 N/A ARG 141.A N VAL 137.A O no hydrogen 2.942 N/A ARG 141.A NH2 ASP 441.A OD2 no hydrogen 3.461 N/A PHE 142.A N ARG 138.A O no hydrogen 3.053 N/A GLU 144.A N THR 140.A O no hydrogen 3.070 N/A PHE 145.A N ARG 141.A O no hydrogen 2.923 N/A LEU 146.A N PHE 142.A O no hydrogen 2.975 N/A GLN 147.A N GLU 143.A O no hydrogen 2.962 N/A ARG 148.A N GLU 144.A O no hydrogen 2.992 N/A LYS 149.A N PHE 145.A O no hydrogen 2.942 N/A TRP 150.A N LEU 146.A O no hydrogen 2.924 N/A SER 151.A OG GLN 147.A O no hydrogen 2.695 N/A ARG 155.A NE GLU 143.A OE1 no hydrogen 2.902 N/A ARG 155.A NE GLU 159.A OE2 no hydrogen 3.425 N/A ARG 155.A NH2 GLU 159.A OE2 no hydrogen 2.855 N/A PHE 156.A N GLU 393.A OE2 no hydrogen 3.260 N/A GLY 157.A N GLU 393.A OE1 no hydrogen 3.082 N/A GLY 160.A N GLU 162.A OE2 no hydrogen 3.021 N/A CYS 161.A N LEU 158.A O no hydrogen 2.858 N/A ALA 167.A N VAL 163.A O no hydrogen 3.279 N/A LEU 168.A N LEU 164.A O no hydrogen 2.957 N/A LYS 169.A N ILE 165.A O no hydrogen 3.014 N/A THR 170.A N PRO 166.A O no hydrogen 2.910 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.908 N/A ILE 171.A N ALA 167.A O no hydrogen 2.978 N/A ILE 172.A N LEU 168.A O no hydrogen 2.984 N/A ASP 173.A N LYS 169.A O no hydrogen 2.934 N/A LYS 174.A N THR 170.A O no hydrogen 2.982 N/A LYS 174.A NZ GLU 177.A OE1 no hydrogen 3.209 N/A SER 175.A N ILE 171.A O no hydrogen 2.981 N/A SER 175.A OG ILE 171.A O no hydrogen 3.053 N/A SER 176.A N ILE 172.A O no hydrogen 2.897 N/A SER 176.A OG THR 240.A OG1 no hydrogen 2.780 N/A GLU 177.A N ASP 173.A O no hydrogen 2.938 N/A ASN 178.A N LYS 174.A O no hydrogen 2.995 N/A GLY 179.A N SER 176.A O no hydrogen 3.283 N/A VAL 180.A N SER 175.A O no hydrogen 3.107 N/A ASP 181.A N LYS 280.A O no hydrogen 3.181 N/A VAL 183.A N THR 245.A O no hydrogen 2.986 N/A ILE 184.A N MET 282.A O no hydrogen 3.141 N/A MET 185.A N SER 247.A O no hydrogen 2.916 N/A GLY 186.A N ILE 284.A O no hydrogen 3.260 N/A ARG 190.A NH2 HIS 391.A O no hydrogen 3.347 N/A GLY 191.A N PHE 156.A O no hydrogen 3.006 N/A ARG 192.A N HIS 189.A O no hydrogen 3.330 N/A ARG 192.A NH1 MET 187.A O no hydrogen 2.914 N/A ARG 192.A NH2 LEU 229.A O no hydrogen 3.258 N/A ARG 192.A NH2 VAL 249.A O no hydrogen 3.377 N/A ASN 194.A ND2 SER 139.A O no hydrogen 3.403 N/A VAL 195.A N GLY 191.A O no hydrogen 3.339 N/A LEU 196.A N ARG 192.A O no hydrogen 3.055 N/A ALA 197.A N LEU 193.A O no hydrogen 3.017 N/A ASN 198.A N ASN 194.A O no hydrogen 3.115 N/A ILE 200.A N VAL 195.A O no hydrogen 2.953 N/A LYS 202.A N LEU 196.A O no hydrogen 2.723 N/A ILE 207.A N GLU 203.A O no hydrogen 3.352 N/A PHE 208.A N LEU 204.A O no hydrogen 2.926 N/A CYS 209.A N GLU 205.A O no hydrogen 2.843 N/A CYS 209.A SG GLU 205.A O no hydrogen 3.174 N/A GLN 210.A N ILE 207.A O no hydrogen 3.095 N/A PHE 211.A N PHE 208.A O no hydrogen 3.260 N/A ASP 212.A N CYS 209.A O no hydrogen 3.198 N/A GLY 223.A N ALA 619.A O no hydrogen 3.372 N/A VAL 225.A N ASP 224.A OD1 no hydrogen 2.956 N/A TYR 227.A OH GLU 153.A OE2 no hydrogen 2.805 N/A HIS 228.A N VAL 225.A O no hydrogen 3.061 N/A LEU 229.A N LYS 226.A O no hydrogen 3.395 N/A MET 231.A N LEU 248.A O no hydrogen 3.030 N/A HIS 233.A N LEU 246.A O no hydrogen 3.112 N/A ARG 235.A N ILE 244.A O no hydrogen 3.016 N/A ARG 235.A NH2 VAL 199.A O no hydrogen 3.536 N/A ASN 237.A ND2 ASP 173.A OD1 no hydrogen 2.743 N/A ASN 237.A ND2 THR 240.A OG1 no hydrogen 3.141 N/A THR 240.A OG1 SER 176.A OG no hydrogen 2.780 N/A ARG 242.A NH1 SER 176.A OG no hydrogen 3.258 N/A ARG 242.A NH1 VAL 180.A O no hydrogen 3.050 N/A ILE 244.A N ARG 235.A O no hydrogen 3.059 N/A THR 245.A N ASP 181.A O no hydrogen 3.172 N/A LEU 246.A N HIS 233.A O no hydrogen 2.838 N/A LEU 248.A N MET 231.A O no hydrogen 2.842 N/A VAL 249.A N MET 185.A O no hydrogen 3.266 N/A ASN 251.A ND2 MET 187.A O no hydrogen 2.592 N/A VAL 262.A N ALA 258.A O no hydrogen 3.198 N/A MET 263.A N ASP 259.A O no hydrogen 3.016 N/A GLY 264.A N PRO 260.A O no hydrogen 2.866 N/A LYS 265.A N VAL 261.A O no hydrogen 2.986 N/A THR 266.A N VAL 262.A O no hydrogen 2.966 N/A THR 266.A OG1 VAL 262.A O no hydrogen 2.814 N/A LYS 267.A N MET 263.A O no hydrogen 2.954 N/A LYS 267.A NZ THR 311.A O no hydrogen 2.899 N/A ALA 268.A N GLY 264.A O no hydrogen 2.962 N/A GLU 269.A N LYS 265.A O no hydrogen 2.995 N/A GLN 270.A N THR 266.A O no hydrogen 2.936 N/A GLN 270.A NE2 VAL 281.A O no hydrogen 3.476 N/A GLN 270.A NE2 THR 312.A O no hydrogen 2.986 N/A PHE 271.A N LYS 267.A O no hydrogen 2.911 N/A TYR 272.A N ALA 268.A O no hydrogen 2.969 N/A CYS 273.A N GLU 269.A O no hydrogen 3.179 N/A CYS 273.A SG GLU 269.A O no hydrogen 3.281 N/A GLY 274.A N PHE 271.A O no hydrogen 3.067 N/A ASP 275.A N GLN 270.A O no hydrogen 3.014 N/A THR 276.A OG1 GLU 277.A OE1 no hydrogen 2.309 N/A LYS 279.A N ASP 275.A OD1 no hydrogen 3.486 N/A LYS 279.A NZ GLU 277.A OE2 no hydrogen 3.427 N/A LYS 280.A N ASP 275.A OD2 no hydrogen 2.975 N/A MET 282.A N TYR 182.A O no hydrogen 3.109 N/A ILE 284.A N ILE 184.A O no hydrogen 3.040 N/A LEU 285.A N VAL 316.A O no hydrogen 3.182 N/A LEU 286.A N GLY 186.A O no hydrogen 3.100 N/A HIS 287.A N VAL 318.A O no hydrogen 2.953 N/A HIS 287.A ND1 GLU 256.A OE2 no hydrogen 3.039 N/A HIS 287.A NE2 HIS 317.A ND1 no hydrogen 3.133 N/A PHE 292.A N GLY 288.A O no hydrogen 2.897 N/A GLY 294.A N ALA 291.A O no hydrogen 3.404 N/A TYR 299.A N GLY 296.A O no hydrogen 3.016 N/A GLU 300.A N GLY 296.A O no hydrogen 3.474 N/A THR 301.A N ILE 297.A O no hydrogen 2.933 N/A THR 301.A OG1 ILE 297.A O no hydrogen 2.957 N/A PHE 302.A N VAL 298.A O no hydrogen 2.973 N/A HIS 303.A N TYR 299.A O no hydrogen 2.988 N/A HIS 303.A NE2 TYR 299.A OH no hydrogen 3.150 N/A LEU 304.A N GLU 300.A O no hydrogen 2.915 N/A SER 305.A N PHE 302.A O no hydrogen 3.303 N/A SER 305.A OG PHE 302.A O no hydrogen 2.924 N/A SER 305.A OG ASP 378.A OD1 no hydrogen 3.456 N/A SER 309.A OG PRO 308.A O no hydrogen 2.326 N/A TYR 310.A N LEU 307.A O no hydrogen 3.111 N/A TYR 310.A OH SER 526.A OG no hydrogen 2.898 N/A THR 311.A OG1 SER 305.A O no hydrogen 3.092 N/A HIS 313.A N THR 311.A OG1 no hydrogen 3.263 N/A THR 315.A OG1 ASP 378.A OD2 no hydrogen 3.401 N/A VAL 316.A N SER 283.A O no hydrogen 3.483 N/A HIS 317.A N VAL 379.A O no hydrogen 2.885 N/A HIS 317.A ND1 HIS 287.A NE2 no hydrogen 3.133 N/A VAL 318.A N LEU 285.A O no hydrogen 2.906 N/A VAL 319.A N VAL 381.A O no hydrogen 2.895 N/A VAL 320.A N HIS 287.A O no hydrogen 3.106 N/A ASN 321.A N LEU 383.A O no hydrogen 2.892 N/A GLN 323.A N ASN 321.A OD1 no hydrogen 3.299 N/A GLY 325.A N THR 328.A O no hydrogen 3.429 N/A MET 332.A N ASP 329.A O no hydrogen 3.144 N/A ALA 333.A N PRO 330.A O no hydrogen 3.455 N/A ARG 334.A NE SER 336.A O no hydrogen 3.308 N/A ARG 334.A NH2 PRO 337.A O no hydrogen 2.960 N/A SER 336.A OG TYR 338.A O no hydrogen 2.867 N/A SER 336.A OG ASP 341.A OD2 no hydrogen 3.257 N/A TYR 338.A N ASP 341.A OD2 no hydrogen 3.308 N/A TYR 338.A OH HIS 20.A ND1 no hydrogen 3.287 N/A ARG 344.A N ASP 341.A O no hydrogen 3.223 N/A VAL 345.A N VAL 342.A O no hydrogen 2.951 N/A ALA 348.A N ALA 343.A O no hydrogen 3.292 N/A ILE 350.A N GLU 99.A O no hydrogen 2.978 N/A PHE 351.A N VAL 380.A O no hydrogen 3.324 N/A HIS 352.A N GLY 97.A O no hydrogen 2.890 N/A HIS 352.A ND1 ASP 382.A OD2 no hydrogen 3.266 N/A VAL 353.A N ASP 382.A O no hydrogen 3.051 N/A ASN 354.A N HIS 95.A O no hydrogen 2.928 N/A ASN 354.A ND2 HIS 95.A ND1 no hydrogen 3.422 N/A SER 355.A N VAL 384.A O no hydrogen 3.064 N/A SER 355.A OG VAL 384.A O no hydrogen 2.907 N/A ASP 356.A N ASN 354.A OD1 no hydrogen 3.390 N/A ASP 357.A N ASN 354.A O no hydrogen 3.198 N/A ALA 360.A N ASP 357.A O no hydrogen 3.315 N/A VAL 361.A N ASP 357.A O no hydrogen 3.487 N/A MET 362.A N PRO 358.A O no hydrogen 2.985 N/A TYR 363.A OH LYS 115.A O no hydrogen 2.639 N/A VAL 364.A N ALA 360.A O no hydrogen 2.969 N/A CYS 365.A N VAL 361.A O no hydrogen 2.982 N/A CYS 365.A SG ALA 167.A O no hydrogen 3.976 N/A CYS 365.A SG VAL 361.A O no hydrogen 3.238 N/A LYS 366.A N MET 362.A O no hydrogen 2.977 N/A VAL 367.A N TYR 363.A O no hydrogen 2.939 N/A ALA 368.A N VAL 364.A O no hydrogen 2.959 N/A ALA 369.A N CYS 365.A O no hydrogen 3.000 N/A GLU 370.A N LYS 366.A O no hydrogen 2.987 N/A TRP 371.A N VAL 367.A O no hydrogen 2.909 N/A ARG 372.A N ALA 368.A O no hydrogen 3.052 N/A ARG 372.A NE GLY 314.A O no hydrogen 3.533 N/A ARG 372.A NH1 GLY 278.A O no hydrogen 3.462 N/A ARG 372.A NH2 GLY 278.A O no hydrogen 3.028 N/A ARG 372.A NH2 VAL 281.A O no hydrogen 3.244 N/A SER 373.A OG ALA 369.A O no hydrogen 3.482 N/A THR 374.A N GLU 370.A O no hydrogen 2.949 N/A THR 374.A OG1 GLU 370.A O no hydrogen 2.969 N/A PHE 375.A N TRP 371.A O no hydrogen 2.957 N/A HIS 376.A N ARG 372.A O no hydrogen 3.053 N/A LYS 377.A NZ GLN 108.A OE1 no hydrogen 3.355 N/A LYS 377.A NZ ASN 347.A O no hydrogen 3.345 N/A VAL 379.A N THR 315.A O no hydrogen 2.958 N/A VAL 380.A N PRO 349.A O no hydrogen 3.505 N/A VAL 381.A N HIS 317.A O no hydrogen 2.883 N/A ASP 382.A N PHE 351.A O no hydrogen 3.026 N/A LEU 383.A N VAL 319.A O no hydrogen 2.925 N/A VAL 384.A N VAL 353.A O no hydrogen 3.212 N/A CYS 385.A N ASN 321.A O no hydrogen 2.963 N/A CYS 385.A SG ASN 321.A O no hydrogen 3.848 N/A CYS 385.A SG LEU 383.A O no hydrogen 3.718 N/A TYR 386.A N GLY 160.A O no hydrogen 3.503 N/A ARG 387.A NE ASN 389.A O no hydrogen 3.353 N/A ARG 387.A NE TYR 405.A OH no hydrogen 3.250 N/A ARG 387.A NH1 PHE 326.A O no hydrogen 3.566 N/A ARG 387.A NH2 TYR 405.A OH no hydrogen 3.038 N/A ARG 388.A N GLU 159.A O no hydrogen 3.407 N/A ARG 388.A NH2 TYR 386.A OH no hydrogen 3.168 N/A ARG 388.A NH2 GLN 411.A O no hydrogen 3.076 N/A HIS 391.A N ASP 395.A OD2 no hydrogen 3.067 N/A ASN 392.A N ASP 395.A OD2 no hydrogen 3.518 N/A GLU 396.A N ASP 395.A OD1 no hydrogen 2.971 N/A THR 400.A OG1 GLN 401.A OE1 no hydrogen 2.740 N/A GLN 401.A N PRO 397.A O no hydrogen 3.326 N/A GLN 401.A NE2 THR 327.A O no hydrogen 3.550 N/A TYR 405.A OH ARG 387.A O no hydrogen 3.336 N/A TYR 405.A OH ASN 389.A O no hydrogen 3.173 N/A LYS 406.A N PRO 402.A O no hydrogen 2.933 N/A GLN 407.A N LEU 403.A O no hydrogen 2.936 N/A ILE 408.A N MET 404.A O no hydrogen 2.886 N/A ARG 409.A N TYR 405.A O no hydrogen 2.988 N/A LYS 410.A N GLN 407.A O no hydrogen 3.185 N/A GLN 411.A N ILE 408.A O no hydrogen 3.070 N/A GLN 411.A NE2 PRO 27.A O no hydrogen 3.132 N/A LYS 412.A NZ GLN 416.A OE1 no hydrogen 2.266 N/A LYS 417.A NZ ASP 356.A OD1 no hydrogen 2.869 N/A LYS 417.A NZ ASP 356.A OD2 no hydrogen 3.012 N/A TYR 418.A N VAL 414.A O no hydrogen 2.972 N/A ALA 419.A N LEU 415.A O no hydrogen 2.933 N/A GLU 420.A N GLN 416.A O no hydrogen 2.952 N/A GLU 420.A N GLU 420.A OE1 no hydrogen 3.116 N/A LEU 421.A N LYS 417.A O no hydrogen 2.944 N/A LEU 422.A N TYR 418.A O no hydrogen 2.938 N/A VAL 423.A N ALA 419.A O no hydrogen 2.929 N/A SER 424.A N GLU 420.A O no hydrogen 2.887 N/A GLN 425.A N LEU 421.A O no hydrogen 2.974 N/A GLY 426.A N VAL 423.A O no hydrogen 3.074 N/A VAL 427.A N LEU 422.A O no hydrogen 3.208 N/A TYR 433.A N ASN 429.A O no hydrogen 3.263 N/A GLU 434.A N GLN 430.A O no hydrogen 2.947 N/A GLU 435.A N PRO 431.A O no hydrogen 2.893 N/A GLU 436.A N GLU 432.A O no hydrogen 3.337 N/A SER 438.A OG GLU 435.A O no hydrogen 2.835 N/A LYS 439.A N GLU 435.A O no hydrogen 3.016 N/A TYR 440.A N GLU 436.A O no hydrogen 3.039 N/A ASP 441.A N ILE 437.A O no hydrogen 3.253 N/A LYS 442.A N SER 438.A O no hydrogen 3.052 N/A ILE 443.A N LYS 439.A O no hydrogen 3.402 N/A CYS 444.A N TYR 440.A O no hydrogen 3.064 N/A CYS 444.A SG TYR 440.A O no hydrogen 3.170 N/A GLU 445.A N ASP 441.A O no hydrogen 2.966 N/A GLU 446.A N LYS 442.A O no hydrogen 2.920 N/A ALA 447.A N ILE 443.A O no hydrogen 3.217 N/A PHE 448.A N CYS 444.A O no hydrogen 3.275 N/A ALA 449.A N GLU 445.A O no hydrogen 3.175 N/A ALA 449.A N GLU 446.A O no hydrogen 3.041 N/A ARG 450.A N GLU 446.A O no hydrogen 3.189 N/A ARG 450.A NH2 GLU 446.A OE1 no hydrogen 3.227 N/A SER 451.A N ALA 447.A O no hydrogen 3.078 N/A SER 451.A OG PHE 448.A O no hydrogen 2.655 N/A LYS 452.A N PHE 448.A O no hydrogen 3.269 N/A LYS 452.A NZ PHE 448.A O no hydrogen 3.518 N/A ASP 453.A N ALA 449.A O no hydrogen 2.992 N/A ASP 453.A N ARG 450.A O no hydrogen 3.021 N/A CYS 456.A SG PRO 457.A O no hydrogen 3.635 N/A THR 459.A OG1 HIS 692.A ND1 no hydrogen 2.686 N/A LEU 461.A N MET 727.A O no hydrogen 2.782 N/A THR 462.A OG1 ASP 464.A OD1 no hydrogen 3.380 N/A THR 467.A N GLU 463.A O no hydrogen 2.926 N/A THR 467.A OG1 ASP 464.A O no hydrogen 2.758 N/A HIS 468.A N ASP 464.A O no hydrogen 2.924 N/A HIS 468.A NE2 LEU 558.A O no hydrogen 2.851 N/A ILE 469.A N ILE 465.A O no hydrogen 2.956 N/A GLY 470.A N LEU 466.A O no hydrogen 2.924 N/A ASN 471.A N THR 467.A O no hydrogen 2.916 N/A VAL 472.A N HIS 468.A O no hydrogen 3.002 N/A ALA 473.A N ILE 469.A O no hydrogen 3.092 N/A SER 474.A N GLY 470.A O no hydrogen 3.100 N/A SER 474.A OG GLY 470.A O no hydrogen 3.064 N/A SER 474.A OG ASN 471.A O no hydrogen 3.035 N/A SER 475.A N ASN 471.A O no hydrogen 3.022 N/A SER 475.A OG ASN 471.A O no hydrogen 2.899 N/A SER 475.A OG VAL 472.A O no hydrogen 3.104 N/A THR 482.A N ASP 544.A OD1 no hydrogen 2.959 N/A GLY 486.A N HIS 484.A ND1 no hydrogen 3.135 N/A SER 488.A N HIS 484.A O no hydrogen 2.677 N/A SER 488.A OG ILE 483.A O no hydrogen 3.017 N/A SER 488.A OG HIS 484.A O no hydrogen 2.986 N/A ARG 489.A N GLY 485.A O no hydrogen 2.974 N/A ILE 490.A N GLY 486.A O no hydrogen 3.103 N/A LEU 491.A N LEU 487.A O no hydrogen 2.926 N/A LYS 492.A N SER 488.A O no hydrogen 2.829 N/A THR 493.A N ARG 489.A O no hydrogen 2.815 N/A THR 493.A OG1 ARG 489.A O no hydrogen 2.779 N/A ARG 494.A N ILE 490.A O no hydrogen 2.912 N/A ARG 494.A NH1 TYR 510.A OH no hydrogen 3.079 N/A ARG 494.A NH2 HIS 537.A O no hydrogen 3.547 N/A ARG 494.A NH2 ARG 538.A O no hydrogen 2.450 N/A GLY 495.A N LEU 491.A O no hydrogen 3.166 N/A GLU 496.A N LYS 492.A O no hydrogen 2.874 N/A MET 497.A N THR 493.A O no hydrogen 2.979 N/A VAL 498.A N ARG 494.A O no hydrogen 2.923 N/A LYS 499.A N GLY 495.A O no hydrogen 3.011 N/A ASN 500.A N MET 497.A O no hydrogen 3.062 N/A ARG 501.A N VAL 498.A O no hydrogen 3.228 N/A ARG 501.A NE GLU 463.A OE2 no hydrogen 3.058 N/A ARG 501.A NH2 ASP 725.A OD1 no hydrogen 3.211 N/A THR 502.A N MET 497.A O no hydrogen 3.278 N/A THR 502.A OG1 ASN 500.A O no hydrogen 3.468 N/A VAL 503.A N SER 722.A O no hydrogen 3.075 N/A LEU 507.A N ASP 504.A OD1 no hydrogen 3.022 N/A ALA 508.A N ASP 504.A O no hydrogen 3.452 N/A TYR 510.A OH ARG 538.A O no hydrogen 3.045 N/A MET 511.A N LEU 507.A O no hydrogen 2.924 N/A ALA 512.A N ALA 508.A O no hydrogen 2.923 N/A PHE 513.A N GLU 509.A O no hydrogen 2.940 N/A GLY 514.A N TYR 510.A O no hydrogen 2.868 N/A SER 515.A OG MET 511.A O no hydrogen 3.264 N/A SER 515.A OG ALA 512.A O no hydrogen 2.884 N/A LEU 516.A N ALA 512.A O no hydrogen 2.997 N/A LEU 517.A N PHE 513.A O no hydrogen 2.866 N/A LYS 518.A N GLY 514.A O no hydrogen 2.973 N/A GLU 519.A N LEU 516.A O no hydrogen 3.259 N/A ARG 524.A N LEU 592.A O no hydrogen 2.938 N/A ARG 524.A NH2 SER 309.A O no hydrogen 3.051 N/A LEU 525.A N THR 566.A O no hydrogen 3.045 N/A SER 526.A N LEU 594.A O no hydrogen 2.941 N/A SER 526.A OG TYR 310.A OH no hydrogen 2.898 N/A SER 526.A OG GLU 581.A OE2 no hydrogen 3.094 N/A VAL 530.A N ASN 569.A OD1 no hydrogen 2.961 N/A GLU 531.A N ASN 569.A OD1 no hydrogen 3.494 N/A ARG 532.A NE GLY 533.A O no hydrogen 3.022 N/A ARG 532.A NH2 GLY 533.A O no hydrogen 3.249 N/A ARG 532.A NH2 THR 534.A O no hydrogen 3.479 N/A GLY 533.A N ASP 529.A O no hydrogen 3.342 N/A SER 536.A N GLY 533.A O no hydrogen 3.167 N/A SER 536.A OG HIS 539.A NE2 no hydrogen 3.330 N/A ARG 538.A NE HIS 537.A NE2 no hydrogen 3.630 N/A ARG 538.A NH1 VAL 530.A O no hydrogen 3.461 N/A HIS 539.A N ARG 532.A O no hydrogen 3.419 N/A HIS 540.A N GLU 531.A O no hydrogen 3.012 N/A LEU 542.A N CYS 552.A O no hydrogen 3.091 N/A ASP 544.A N ARG 550.A O no hydrogen 3.489 N/A VAL 547.A N ASP 544.A OD2 no hydrogen 3.230 N/A CYS 552.A N LEU 542.A O no hydrogen 3.218 N/A ASN 556.A N ILE 553.A O no hydrogen 3.038 N/A TRP 559.A N GLN 562.A OE1 no hydrogen 3.464 N/A ASN 561.A N ASN 561.A OD1 no hydrogen 2.526 N/A GLN 562.A NE2 MET 555.A O no hydrogen 3.579 N/A GLN 562.A NE2 ALA 563.A O no hydrogen 3.256 N/A ALA 563.A N LEU 517.A O no hydrogen 3.214 N/A THR 566.A N ILE 523.A O no hydrogen 3.202 N/A CYS 568.A N LEU 525.A O no hydrogen 3.481 N/A CYS 568.A SG TYR 310.A OH no hydrogen 3.461 N/A SER 570.A N GLY 527.A O no hydrogen 2.919 N/A SER 570.A OG GLY 527.A O no hydrogen 2.421 N/A SER 570.A OG SER 571.A O no hydrogen 3.313 N/A SER 573.A OG GLU 300.A OE1 no hydrogen 2.241 N/A GLY 576.A N GLU 300.A OE1 no hydrogen 3.269 N/A GLY 576.A N SER 573.A OG no hydrogen 3.352 N/A PHE 580.A N GLY 576.A O no hydrogen 2.935 N/A GLU 581.A N VAL 577.A O no hydrogen 2.932 N/A LEU 582.A N LEU 578.A O no hydrogen 2.921 N/A GLY 583.A N GLY 579.A O no hydrogen 2.946 N/A PHE 584.A N PHE 580.A O no hydrogen 2.929 N/A ALA 585.A N GLU 581.A O no hydrogen 2.924 N/A ALA 585.A N LEU 582.A O no hydrogen 3.245 N/A MET 586.A N GLY 583.A O no hydrogen 3.476 N/A ASN 590.A N SER 588.A OG no hydrogen 3.060 N/A LEU 592.A N HIS 522.A O no hydrogen 2.905 N/A LEU 594.A N ARG 524.A O no hydrogen 2.921 N/A TRP 595.A N VAL 628.A O no hydrogen 3.069 N/A GLU 596.A N SER 526.A O no hydrogen 2.920 N/A ALA 597.A N LEU 630.A O no hydrogen 3.240 N/A GLY 600.A N PRO 632.A O no hydrogen 3.096 N/A PHE 602.A N PHE 599.A O no hydrogen 3.331 N/A HIS 603.A ND1 GLY 600.A O no hydrogen 2.612 N/A THR 605.A OG1 PHE 602.A O no hydrogen 3.532 N/A THR 605.A OG1 ASN 604.A OD1 no hydrogen 3.536 N/A ALA 606.A N HIS 603.A O no hydrogen 2.904 N/A GLN 607.A N ASN 604.A O no hydrogen 2.951 N/A GLN 607.A NE2 ASP 611.A OD1 no hydrogen 3.040 N/A GLN 607.A NE2 ASP 611.A OD2 no hydrogen 3.425 N/A CYS 608.A SG TYR 575.A OH no hydrogen 3.674 N/A ILE 610.A N ALA 606.A O no hydrogen 3.268 N/A ASP 611.A N GLN 607.A O no hydrogen 2.770 N/A GLN 612.A N CYS 608.A O no hydrogen 2.921 N/A PHE 613.A N ILE 609.A O no hydrogen 3.134 N/A ILE 614.A N ILE 609.A O no hydrogen 3.403 N/A CYS 615.A N ILE 610.A O no hydrogen 3.197 N/A LYS 620.A N PRO 616.A O no hydrogen 2.954 N/A LYS 620.A NZ GLN 612.A O no hydrogen 3.527 N/A TRP 621.A N GLY 617.A O no hydrogen 3.018 N/A ARG 623.A NH2 PHE 613.A O no hydrogen 3.157 N/A ASN 625.A ND2 LEU 582.A O no hydrogen 3.677 N/A VAL 628.A N VAL 593.A O no hydrogen 3.196 N/A LEU 629.A N LEU 706.A O no hydrogen 3.011 N/A LEU 630.A N TRP 595.A O no hydrogen 3.055 N/A LEU 631.A N ILE 708.A O no hydrogen 3.132 N/A HIS 633.A N THR 710.A O no hydrogen 2.988 N/A GLY 634.A N SER 643.A O no hydrogen 2.824 N/A HIS 642.A N GLY 639.A O no hydrogen 2.794 N/A HIS 642.A ND1 GLU 641.A O no hydrogen 2.670 N/A SER 643.A N ASP 601.A OD2 no hydrogen 3.159 N/A SER 643.A OG GLY 639.A O no hydrogen 3.101 N/A ALA 645.A N HIS 633.A ND1 no hydrogen 3.097 N/A GLU 648.A N GLU 648.A OE1 no hydrogen 2.809 N/A ARG 649.A N ARG 646.A O no hydrogen 3.304 N/A LEU 651.A N PRO 647.A O no hydrogen 2.950 N/A MET 653.A N PHE 650.A O no hydrogen 3.274 N/A CYS 654.A SG PHE 650.A O no hydrogen 3.842 N/A CYS 654.A SG LEU 651.A O no hydrogen 3.516 N/A ASN 655.A N ASN 678.A OD1 no hydrogen 3.461 N/A ASP 659.A N ASP 657.A OD1 no hydrogen 3.080 N/A LYS 665.A N ASP 663.A OD1 no hydrogen 3.442 N/A GLU 666.A N LEU 664.A O no hydrogen 2.969 N/A PHE 669.A N ALA 667.A O no hydrogen 2.103 N/A GLN 673.A N PHE 669.A O no hydrogen 2.631 N/A GLN 673.A NE2 PHE 788.A O no hydrogen 2.633 N/A LEU 674.A N ASP 670.A O no hydrogen 2.734 N/A ASP 676.A N ASN 672.A O no hydrogen 3.023 N/A CYS 677.A SG LEU 674.A O no hydrogen 2.696 N/A ASN 678.A N ASN 678.A OD1 no hydrogen 2.559 N/A ASN 678.A ND2 MET 653.A O no hydrogen 2.829 N/A VAL 680.A N PRO 705.A O no hydrogen 2.760 N/A VAL 682.A N ILE 707.A O no hydrogen 2.877 N/A ASN 683.A N GLU 783.A O no hydrogen 3.122 N/A SER 685.A OG GLU 783.A OE2 no hydrogen 3.078 N/A ASN 689.A ND2 GLN 734.A O no hydrogen 3.345 N/A ASN 689.A ND2 GLU 783.A OE1 no hydrogen 2.713 N/A PHE 690.A N THR 686.A O no hydrogen 3.367 N/A PHE 691.A N PRO 687.A O no hydrogen 2.919 N/A HIS 692.A N GLY 688.A O no hydrogen 2.981 N/A HIS 692.A ND1 THR 459.A OG1 no hydrogen 2.686 N/A HIS 692.A NE2 GLU 726.A O no hydrogen 2.702 N/A VAL 693.A N ASN 689.A O no hydrogen 2.947 N/A ARG 695.A NE THR 459.A O no hydrogen 2.640 N/A ARG 696.A N HIS 692.A O no hydrogen 2.962 N/A GLN 697.A N VAL 693.A O no hydrogen 2.963 N/A GLN 697.A NE2 GLY 626.A O no hydrogen 3.107 N/A GLN 697.A NE2 LYS 704.A O no hydrogen 3.170 N/A ILE 698.A N ARG 695.A O no hydrogen 3.167 N/A LEU 699.A N ARG 695.A O no hydrogen 2.981 N/A ARG 703.A N GLN 624.A OE1 no hydrogen 3.375 N/A ARG 703.A NE PRO 589.A O no hydrogen 3.293 N/A ARG 703.A NH1 LEU 700.A O no hydrogen 3.061 N/A ARG 703.A NH1 PHE 702.A O no hydrogen 2.933 N/A ARG 703.A NH2 PRO 589.A O no hydrogen 3.010 N/A LYS 704.A NZ GLN 618.A OE1 no hydrogen 3.200 N/A LYS 704.A NZ CYS 677.A O no hydrogen 3.337 N/A LEU 706.A N ILE 627.A O no hydrogen 3.087 N/A ILE 707.A N VAL 680.A O no hydrogen 2.788 N/A ILE 708.A N LEU 629.A O no hydrogen 3.017 N/A PHE 709.A N VAL 682.A O no hydrogen 2.995 N/A THR 710.A N LEU 631.A O no hydrogen 3.161 N/A LYS 712.A NZ GLY 634.A O no hydrogen 2.926 N/A SER 713.A N GLU 636.A OE2 no hydrogen 3.191 N/A ARG 716.A NH2 PHE 535.A O no hydrogen 2.874 N/A HIS 717.A N LEU 714.A O no hydrogen 3.510 N/A ALA 720.A N HIS 717.A O no hydrogen 3.102 N/A SER 722.A N VAL 503.A O no hydrogen 3.416 N/A MET 727.A N PHE 724.A O no hydrogen 3.020 N/A THR 731.A OG1 GLU 726.A O no hydrogen 3.312 N/A THR 731.A OG1 LEU 728.A O no hydrogen 2.777 N/A GLN 734.A N ASN 689.A OD1 no hydrogen 3.509 N/A ILE 737.A N ARG 781.A O no hydrogen 3.363 N/A ASN 746.A N ALA 743.A O no hydrogen 3.233 N/A VAL 750.A N PRO 747.A O no hydrogen 3.157 N/A LYS 751.A N GLN 776.A O no hydrogen 3.278 N/A LEU 753.A N GLU 804.A O no hydrogen 3.069 N/A LEU 754.A N ALA 778.A O no hydrogen 2.837 N/A PHE 755.A N ALA 806.A O no hydrogen 2.978 N/A CYS 756.A N THR 780.A O no hydrogen 2.944 N/A CYS 756.A SG THR 780.A O no hydrogen 3.742 N/A THR 757.A OG1 CYS 756.A O no hydrogen 2.651 N/A LYS 759.A NZ MET 635.A O no hydrogen 3.217 N/A LYS 759.A NZ GLU 810.A OE1 no hydrogen 3.127 N/A LYS 759.A NZ GLU 810.A OE2 no hydrogen 2.350 N/A TYR 761.A N GLY 758.A O no hydrogen 2.934 N/A TYR 762.A OH SER 685.A O no hydrogen 3.225 N/A ASP 763.A N VAL 760.A O no hydrogen 2.882 N/A LEU 764.A N VAL 760.A O no hydrogen 3.023 N/A THR 765.A N TYR 761.A O no hydrogen 3.002 N/A THR 765.A OG1 TYR 761.A O no hydrogen 3.219 N/A THR 765.A OG1 TYR 762.A O no hydrogen 3.256 N/A GLU 767.A N ASP 763.A O no hydrogen 3.252 N/A ARG 768.A N LEU 764.A O no hydrogen 2.923 N/A ARG 768.A NH1 VAL 777.A O no hydrogen 2.930 N/A LYS 769.A N THR 765.A O no hydrogen 3.311 N/A LYS 769.A NZ ARG 766.A O no hydrogen 3.103 N/A ALA 770.A N ARG 766.A O no hydrogen 3.269 N/A ARG 771.A N ARG 768.A O no hydrogen 3.230 N/A ARG 771.A NE GLU 767.A OE2 no hydrogen 2.998 N/A ARG 771.A NH2 GLU 767.A OE2 no hydrogen 3.040 N/A ARG 771.A NH2 ASP 863.A OD1 no hydrogen 2.968 N/A ASP 772.A N LYS 769.A O no hydrogen 3.036 N/A MET 773.A N ARG 768.A O no hydrogen 3.066 N/A GLN 776.A N MET 773.A O no hydrogen 2.874 N/A ALA 778.A N ARG 752.A O no hydrogen 3.219 N/A THR 780.A N LEU 754.A O no hydrogen 2.932 N/A ARG 781.A NH1 SER 685.A OG no hydrogen 3.261 N/A ILE 782.A N CYS 756.A O no hydrogen 3.291 N/A GLU 783.A N ARG 735.A O no hydrogen 2.783 N/A SER 786.A OG TRP 679.A O no hydrogen 2.889 N/A LEU 792.A N ASP 791.A OD1 no hydrogen 2.629 N/A LEU 794.A N PHE 790.A O no hydrogen 3.092 N/A GLU 796.A N LEU 792.A O no hydrogen 3.403 N/A VAL 797.A N LEU 793.A O no hydrogen 3.471 N/A GLN 798.A N LEU 794.A O no hydrogen 3.277 N/A LYS 799.A N LYS 795.A O no hydrogen 2.813 N/A LYS 799.A NZ GLU 739.A O no hydrogen 3.305 N/A GLU 804.A N LYS 751.A O no hydrogen 3.394 N/A ALA 806.A N LEU 753.A O no hydrogen 3.092 N/A CYS 808.A N PHE 755.A O no hydrogen 2.996 N/A CYS 808.A SG ALA 838.A O no hydrogen 3.890 N/A GLN 809.A N ALA 838.A O no hydrogen 3.052 N/A GLN 809.A NE2 HIS 812.A O no hydrogen 3.566 N/A GLN 809.A NE2 GLN 815.A O no hydrogen 2.843 N/A GLU 811.A N GLU 811.A OE1 no hydrogen 2.694 N/A HIS 812.A ND1 ASP 841.A O no hydrogen 2.625 N/A ASN 814.A ND2 ALA 843.A O no hydrogen 3.363 N/A GLN 815.A N HIS 812.A O no hydrogen 3.034 N/A TYR 817.A OH HIS 633.A NE2 no hydrogen 3.189 N/A TYR 820.A N TYR 817.A O no hydrogen 3.303 N/A TYR 820.A OH ASP 656.A OD2 no hydrogen 2.939 N/A TYR 820.A OH LEU 785.A O no hydrogen 2.754 N/A VAL 821.A N TYR 817.A O no hydrogen 3.080 N/A ARG 824.A NH1 ASP 656.A OD1 no hydrogen 2.904 N/A ARG 824.A NH2 TYR 820.A O no hydrogen 3.334 N/A LEU 825.A N VAL 821.A O no hydrogen 2.867 N/A ARG 826.A N LYS 822.A O no hydrogen 2.899 N/A ARG 826.A NH2 ARG 831.A O no hydrogen 3.480 N/A THR 827.A N PRO 823.A O no hydrogen 2.799 N/A THR 827.A OG1 PRO 658.A O no hydrogen 3.095 N/A THR 827.A OG1 PRO 823.A O no hydrogen 2.789 N/A THR 828.A N ARG 824.A O no hydrogen 3.125 N/A THR 828.A OG1 LEU 825.A O no hydrogen 2.856 N/A LYS 833.A NZ ALA 803.A O no hydrogen 3.544 N/A TRP 836.A N LEU 805.A O no hydrogen 2.931 N/A TYR 837.A OH GLN 809.A OE1 no hydrogen 2.856 N/A TYR 837.A OH ARG 840.A O no hydrogen 2.979 N/A ALA 838.A N TRP 807.A O no hydrogen 2.956 N/A ARG 840.A NH1 GLU 810.A O no hydrogen 2.961 N/A ARG 840.A NH2 HIS 854.A O no hydrogen 3.220 N/A ALA 843.A N ASN 814.A OD1 no hydrogen 3.028 N/A LYS 852.A NZ THR 856.A OG1 no hydrogen 3.052 N/A LEU 855.A N LYS 851.A O no hydrogen 3.407 N/A THR 856.A N LYS 852.A O no hydrogen 3.386 N/A THR 856.A OG1 LYS 852.A O no hydrogen 3.548 N/A GLU 857.A N THR 853.A O no hydrogen 2.818 N/A LEU 858.A N HIS 854.A O no hydrogen 3.014 N/A GLN 859.A N LEU 855.A O no hydrogen 2.885 N/A ARG 860.A N THR 856.A O no hydrogen 2.961 N/A LEU 861.A N GLU 857.A O no hydrogen 2.946 N/A LEU 862.A N LEU 858.A O no hydrogen 3.001 N/A ASP 863.A N GLN 859.A O no hydrogen 2.887 N/A THR 864.A N ARG 860.A O no hydrogen 2.961 N/A ALA 865.A N LEU 861.A O no hydrogen 3.088 N/A SER 875.A N PHE 871.A O no hydrogen 2.944 N/A SER 875.A OG PHE 871.A O no hydrogen 3.034 N/A SER 875.A OG LYS 872.A O no hydrogen 3.376 N/A