Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bla_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 1.A OE1 no hydrogen 3.524 N/A LEU 4.A N LYS 31.A O no hydrogen 3.482 N/A VAL 5.A N ASP 55.A OD2 no hydrogen 3.237 N/A ILE 8.A N GLU 35.A O no hydrogen 3.423 N/A TYR 14.A N LYS 12.A O no hydrogen 3.223 N/A LEU 17.A N GLY 13.A O no hydrogen 3.266 N/A ALA 18.A N TYR 14.A O no hydrogen 2.527 N/A GLU 19.A N ASN 15.A O no hydrogen 2.710 N/A VAL 20.A N GLY 16.A O no hydrogen 2.834 N/A GLY 21.A N LEU 17.A O no hydrogen 2.658 N/A LYS 22.A N ALA 18.A O no hydrogen 2.664 N/A LYS 23.A N GLU 19.A O no hydrogen 2.772 N/A PHE 24.A N VAL 20.A O no hydrogen 2.691 N/A GLU 25.A N GLY 21.A O no hydrogen 2.862 N/A LYS 26.A N LYS 22.A O no hydrogen 2.810 N/A ASP 27.A N LYS 23.A O no hydrogen 3.078 N/A THR 28.A N PHE 24.A O no hydrogen 2.856 N/A THR 28.A OG1 PHE 24.A O no hydrogen 2.858 N/A GLY 29.A N GLU 25.A O no hydrogen 3.011 N/A ILE 30.A N THR 28.A OG1 no hydrogen 3.113 N/A GLU 35.A N ILE 6.A O no hydrogen 3.421 N/A GLU 42.A N LYS 39.A O no hydrogen 3.157 N/A LYS 43.A N LYS 39.A O no hydrogen 3.092 N/A LYS 43.A NZ ASP 38.A O no hydrogen 3.410 N/A PHE 44.A N LEU 40.A O no hydrogen 2.800 N/A VAL 47.A N LYS 43.A O no hydrogen 2.926 N/A ALA 48.A N PHE 44.A O no hydrogen 2.848 N/A THR 50.A N VAL 47.A O no hydrogen 3.207 N/A THR 50.A OG1 VAL 47.A O no hydrogen 3.111 N/A GLY 51.A N VAL 47.A O no hydrogen 3.437 N/A ASP 52.A N THR 50.A OG1 no hydrogen 3.156 N/A ASP 55.A N VAL 5.A O no hydrogen 2.857 N/A ILE 56.A N VAL 5.A O no hydrogen 3.505 N/A ILE 57.A N GLY 262.A O no hydrogen 2.800 N/A TRP 59.A N SER 260.A O no hydrogen 2.818 N/A ARG 63.A NE GLU 41.A OE2 no hydrogen 2.710 N/A PHE 64.A N HIS 61.A O no hydrogen 2.767 N/A GLY 66.A N ARG 63.A O no hydrogen 2.787 N/A TYR 67.A N ARG 63.A O no hydrogen 3.216 N/A TYR 67.A OH GLU 41.A O no hydrogen 2.781 N/A ALA 68.A N PHE 64.A O no hydrogen 2.691 N/A GLN 69.A N GLY 65.A O no hydrogen 3.241 N/A GLN 69.A N GLY 66.A O no hydrogen 2.849 N/A SER 70.A N GLY 66.A O no hydrogen 3.117 N/A SER 70.A OG GLY 66.A O no hydrogen 3.149 N/A SER 70.A OG TYR 67.A O no hydrogen 2.862 N/A GLY 71.A N ALA 68.A O no hydrogen 3.243 N/A LEU 72.A N TYR 67.A O no hydrogen 3.114 N/A ALA 74.A N ILE 263.A O no hydrogen 2.906 N/A ILE 76.A N LEU 100.A O no hydrogen 3.027 N/A PHE 82.A N ASP 79.A O no hydrogen 2.933 N/A GLN 83.A N ASP 79.A O no hydrogen 3.120 N/A GLN 83.A NE2 PRO 78.A O no hydrogen 2.766 N/A ASP 84.A N LYS 80.A O no hydrogen 3.190 N/A LYS 85.A N PHE 82.A O no hydrogen 3.020 N/A THR 90.A N TYR 87.A O no hydrogen 3.100 N/A THR 90.A OG1 TYR 87.A O no hydrogen 2.758 N/A TRP 91.A NE1 GLN 83.A O no hydrogen 3.150 N/A ASP 92.A N PRO 88.A O no hydrogen 3.258 N/A ALA 93.A N PHE 89.A O no hydrogen 3.302 N/A VAL 94.A N TRP 91.A O no hydrogen 2.968 N/A ARG 95.A N ASP 92.A O no hydrogen 3.188 N/A TYR 96.A N LYS 99.A O no hydrogen 3.009 N/A LYS 99.A N TYR 96.A O no hydrogen 2.881 N/A LYS 99.A NZ GLU 75.A OE2 no hydrogen 3.240 N/A ILE 101.A N VAL 94.A O no hydrogen 3.155 N/A TYR 103.A N ALA 261.A O no hydrogen 2.961 N/A TYR 103.A OH GLU 278.A OE2 no hydrogen 2.691 N/A ILE 105.A N LEU 259.A O no hydrogen 2.740 N/A ALA 106.A N LEU 259.A O no hydrogen 2.768 N/A VAL 107.A N ALA 298.A O no hydrogen 2.906 N/A GLU 108.A N GLY 257.A O no hydrogen 2.837 N/A SER 111.A N ASN 224.A O no hydrogen 3.403 N/A LEU 112.A N THR 242.A O no hydrogen 2.868 N/A ILE 113.A N THR 222.A O no hydrogen 2.821 N/A TYR 114.A N GLY 240.A O no hydrogen 2.894 N/A ASN 115.A N ALA 220.A O no hydrogen 3.431 N/A LYS 116.A N ASN 238.A O no hydrogen 2.907 N/A LEU 119.A N ASN 115.A O no hydrogen 2.989 N/A TRP 126.A N THR 246.A O no hydrogen 3.142 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.670 N/A ILE 129.A N TRP 126.A O no hydrogen 2.910 N/A LEU 132.A N GLU 128.A O no hydrogen 3.246 N/A ASP 133.A N ILE 129.A O no hydrogen 2.566 N/A LYS 134.A N PRO 130.A O no hydrogen 2.843 N/A GLU 135.A N ALA 131.A O no hydrogen 2.943 N/A LEU 136.A N LEU 132.A O no hydrogen 2.762 N/A LYS 137.A N ASP 133.A O no hydrogen 2.565 N/A LYS 137.A NZ LYS 199.A O no hydrogen 3.268 N/A ALA 138.A N LYS 134.A O no hydrogen 2.951 N/A ALA 138.A N GLU 135.A O no hydrogen 3.229 N/A LYS 139.A N LEU 136.A O no hydrogen 2.843 N/A GLY 140.A N LYS 137.A O no hydrogen 3.071 N/A LYS 141.A N LEU 136.A O no hydrogen 2.997 N/A LYS 141.A NZ GLY 217.A O no hydrogen 3.528 N/A ALA 143.A N ASP 133.A OD1 no hydrogen 3.402 N/A PHE 153.A N GLU 150.A O no hydrogen 3.351 N/A TRP 155.A N PRO 151.A O no hydrogen 2.805 N/A TRP 155.A NE1 GLU 325.A OE2 no hydrogen 2.917 N/A ILE 158.A N THR 154.A O no hydrogen 3.242 N/A ALA 159.A N TRP 155.A O no hydrogen 2.558 N/A ALA 160.A N LEU 157.A O no hydrogen 3.187 N/A GLY 162.A N ALA 159.A O no hydrogen 3.031 N/A TYR 164.A N GLY 179.A O no hydrogen 3.099 N/A TYR 164.A OH VAL 178.A O no hydrogen 3.421 N/A ASP 177.A N ASP 174.A O no hydrogen 3.210 N/A LYS 186.A N ASN 182.A O no hydrogen 3.174 N/A LYS 186.A NZ ASP 181.A OD1 no hydrogen 3.382 N/A ALA 187.A N ALA 183.A O no hydrogen 2.653 N/A GLY 188.A N GLY 184.A O no hydrogen 2.816 N/A LEU 189.A N ALA 185.A O no hydrogen 2.878 N/A THR 190.A N LYS 186.A O no hydrogen 2.946 N/A THR 190.A OG1 LYS 186.A O no hydrogen 2.922 N/A THR 190.A OG1 ALA 187.A O no hydrogen 2.692 N/A PHE 191.A N ALA 187.A O no hydrogen 2.911 N/A LEU 192.A N GLY 188.A O no hydrogen 2.757 N/A VAL 193.A N LEU 189.A O no hydrogen 2.781 N/A ASP 194.A N THR 190.A O no hydrogen 2.674 N/A LEU 195.A N PHE 191.A O no hydrogen 2.767 N/A ILE 196.A N LEU 192.A O no hydrogen 2.883 N/A LYS 197.A N VAL 193.A O no hydrogen 2.769 N/A ASN 198.A N ASP 194.A O no hydrogen 3.065 N/A LYS 199.A N ILE 196.A O no hydrogen 3.188 N/A HIS 200.A N LEU 195.A O no hydrogen 3.177 N/A HIS 200.A ND1 ASP 133.A OD2 no hydrogen 2.263 N/A THR 205.A N ASN 202.A O no hydrogen 3.119 N/A THR 205.A OG1 PHE 146.A O no hydrogen 3.032 N/A THR 205.A OG1 ASN 202.A O no hydrogen 3.149 N/A ALA 210.A N ASP 206.A O no hydrogen 3.095 N/A GLU 211.A N TYR 207.A O no hydrogen 2.827 N/A ALA 212.A N SER 208.A O no hydrogen 2.721 N/A ALA 213.A N ILE 209.A O no hydrogen 2.947 N/A PHE 214.A N ALA 210.A O no hydrogen 3.006 N/A ASN 215.A N GLU 211.A O no hydrogen 3.019 N/A LYS 216.A N ALA 212.A O no hydrogen 2.845 N/A GLY 217.A N PHE 214.A O no hydrogen 3.183 N/A GLU 218.A N ALA 213.A O no hydrogen 2.765 N/A ALA 220.A N SER 142.A O no hydrogen 2.965 N/A THR 222.A N ILE 113.A O no hydrogen 2.887 N/A THR 222.A OG1 ILE 223.A O no hydrogen 3.471 N/A GLY 225.A N ASN 224.A OD1 no hydrogen 3.045 N/A TRP 227.A NE1 GLU 108.A OE1 no hydrogen 3.293 N/A ALA 228.A N GLY 225.A O no hydrogen 3.022 N/A TRP 229.A N PRO 226.A O no hydrogen 2.990 N/A SER 230.A OG TRP 227.A O no hydrogen 3.381 N/A ASN 231.A N ALA 228.A O no hydrogen 2.967 N/A ASP 233.A N TRP 229.A O no hydrogen 2.877 N/A THR 234.A N SER 230.A O no hydrogen 3.431 N/A THR 234.A OG1 ASN 231.A O no hydrogen 2.645 N/A SER 235.A OG ILE 232.A O no hydrogen 2.390 N/A LYS 236.A N ASP 233.A O no hydrogen 3.313 N/A TYR 239.A OH ASP 233.A OD1 no hydrogen 3.183 N/A GLY 240.A N TYR 114.A O no hydrogen 2.771 N/A THR 242.A N LEU 112.A O no hydrogen 2.846 N/A LEU 244.A N ASN 320.A OD1 no hydrogen 3.398 N/A THR 246.A N LYS 124.A O no hydrogen 3.120 N/A THR 246.A OG1 LYS 124.A O no hydrogen 3.279 N/A PHE 247.A N GLN 250.A O no hydrogen 3.017 N/A LYS 248.A N GLU 127.A OE2 no hydrogen 3.470 N/A LYS 248.A NZ ASP 161.A OD2 no hydrogen 2.757 N/A GLN 250.A N PHE 247.A O no hydrogen 3.081 N/A SER 252.A OG PRO 245.A O no hydrogen 2.555 N/A LYS 253.A N PRO 156.A O no hydrogen 3.401 N/A LYS 253.A NZ ALA 159.A O no hydrogen 3.433 N/A VAL 256.A N GLU 325.A O no hydrogen 2.933 N/A GLY 257.A N GLU 108.A O no hydrogen 2.996 N/A SER 260.A N TRP 59.A O no hydrogen 2.838 N/A SER 260.A OG TRP 59.A O no hydrogen 3.012 N/A ALA 261.A N TYR 103.A O no hydrogen 3.012 N/A GLY 262.A N ILE 57.A O no hydrogen 2.796 N/A ASN 264.A N ASP 55.A O no hydrogen 2.912 N/A ASN 264.A ND2 PRO 54.A O no hydrogen 2.698 N/A ALA 265.A N LEU 72.A O no hydrogen 2.791 N/A SER 267.A N ASN 264.A O no hydrogen 2.985 N/A SER 267.A OG ASN 264.A O no hydrogen 2.485 N/A ASN 269.A ND2 ASP 55.A OD1 no hydrogen 2.869 N/A LYS 270.A NZ ALA 265.A O no hydrogen 3.287 N/A ALA 273.A N ASN 269.A O no hydrogen 2.996 N/A LYS 274.A N LYS 270.A O no hydrogen 2.892 N/A LYS 274.A NZ GLU 75.A O no hydrogen 3.502 N/A LYS 274.A NZ THR 77.A OG1 no hydrogen 3.048 N/A GLU 275.A N GLU 271.A O no hydrogen 2.922 N/A PHE 276.A N LEU 272.A O no hydrogen 2.827 N/A LEU 277.A N ALA 273.A O no hydrogen 2.679 N/A GLU 278.A N LYS 274.A O no hydrogen 2.856 N/A ASN 279.A N GLU 275.A O no hydrogen 2.772 N/A TYR 280.A N PHE 276.A O no hydrogen 3.129 N/A TYR 280.A OH ASP 27.A OD2 no hydrogen 2.365 N/A LEU 281.A N PHE 276.A O no hydrogen 3.109 N/A LEU 282.A N LEU 277.A O no hydrogen 3.201 N/A THR 283.A N LEU 281.A O no hydrogen 2.712 N/A THR 283.A OG1 TYR 280.A O no hydrogen 2.452 N/A GLY 286.A N THR 283.A OG1 no hydrogen 3.197 N/A LEU 287.A N THR 283.A O no hydrogen 3.032 N/A GLU 288.A N ASP 284.A O no hydrogen 2.821 N/A ALA 289.A N GLU 285.A O no hydrogen 2.900 N/A VAL 290.A N GLY 286.A O no hydrogen 2.931 N/A ASN 291.A N LEU 287.A O no hydrogen 2.729 N/A LYS 292.A N GLU 288.A O no hydrogen 2.949 N/A LYS 294.A N VAL 290.A O no hydrogen 3.089 N/A LYS 294.A NZ ASP 11.A O no hydrogen 3.530 N/A LYS 302.A N LYS 85.A O no hydrogen 3.143 N/A LYS 302.A NZ ASP 84.A O no hydrogen 3.504 N/A TYR 304.A OH LEU 287.A O no hydrogen 3.305 N/A GLU 305.A N LEU 301.A O no hydrogen 2.787 N/A GLU 306.A N LYS 302.A O no hydrogen 2.943 N/A GLU 307.A N SER 303.A O no hydrogen 3.413 N/A LEU 308.A N TYR 304.A O no hydrogen 2.905 N/A ASP 311.A N LEU 308.A O no hydrogen 3.046 N/A ARG 313.A NH2 ASP 233.A OD1 no hydrogen 3.271 N/A ALA 315.A N ASP 311.A O no hydrogen 3.159 N/A ALA 316.A N PRO 312.A O no hydrogen 2.963 N/A THR 317.A N ARG 313.A O no hydrogen 2.975 N/A THR 317.A OG1 ILE 314.A O no hydrogen 2.725 N/A MET 318.A N ILE 314.A O no hydrogen 2.956 N/A GLU 319.A N ALA 315.A O no hydrogen 2.743 N/A ASN 320.A N ALA 316.A O no hydrogen 2.851 N/A ALA 321.A N THR 317.A O no hydrogen 2.700 N/A GLN 322.A N MET 318.A O no hydrogen 2.951 N/A LYS 323.A N GLU 319.A O no hydrogen 2.930 N/A GLY 324.A N ASN 320.A O no hydrogen 2.810 N/A MET 327.A N VAL 256.A O no hydrogen 3.425 N/A GLN 332.A NE2 GLY 436.A O no hydrogen 3.267 N/A SER 334.A N PRO 331.A O no hydrogen 3.045 N/A SER 334.A OG PRO 331.A O no hydrogen 2.640 N/A PHE 336.A N GLN 332.A O no hydrogen 2.955 N/A TRP 337.A N MET 333.A O no hydrogen 2.897 N/A TYR 338.A N SER 334.A O no hydrogen 3.384 N/A ALA 339.A N ALA 335.A O no hydrogen 3.348 N/A VAL 340.A N PHE 336.A O no hydrogen 3.038 N/A ARG 341.A N TRP 337.A O no hydrogen 3.299 N/A ARG 341.A NH1 GLU 150.A OE2 no hydrogen 3.404 N/A THR 342.A N TYR 338.A O no hydrogen 3.319 N/A THR 342.A OG1 ALA 339.A O no hydrogen 2.724 N/A ALA 343.A N ALA 339.A O no hydrogen 3.064 N/A VAL 344.A N VAL 340.A O no hydrogen 2.827 N/A ILE 345.A N ARG 341.A O no hydrogen 3.042 N/A ASN 346.A N THR 342.A O no hydrogen 2.909 N/A ALA 347.A N ALA 343.A O no hydrogen 2.925 N/A ALA 348.A N VAL 344.A O no hydrogen 2.909 N/A SER 349.A N ILE 345.A O no hydrogen 2.862 N/A SER 349.A OG ILE 345.A O no hydrogen 3.165 N/A SER 349.A OG ASN 346.A O no hydrogen 3.466 N/A GLN 352.A N ASN 346.A O no hydrogen 3.188 N/A ALA 356.A N THR 353.A OG1 no hydrogen 3.178 N/A ALA 357.A N THR 353.A O no hydrogen 2.899 N/A LEU 358.A N VAL 354.A O no hydrogen 2.989 N/A ALA 359.A N ASP 355.A O no hydrogen 2.859 N/A ALA 360.A N ALA 356.A O no hydrogen 2.695 N/A ALA 361.A N ALA 357.A O no hydrogen 2.808 N/A GLN 362.A N LEU 358.A O no hydrogen 2.917 N/A GLN 362.A NE2 ASP 181.A OD2 no hydrogen 3.482 N/A THR 363.A N ALA 359.A O no hydrogen 3.482 N/A THR 363.A OG1 ALA 359.A O no hydrogen 3.355 N/A THR 363.A OG1 ALA 360.A O no hydrogen 2.569 N/A ASN 364.A N ALA 360.A O no hydrogen 2.922 N/A ALA 365.A N ALA 361.A O no hydrogen 3.317 N/A ALA 366.A N THR 363.A O no hydrogen 3.039 N/A GLY 369.A N LEU 434.A O no hydrogen 3.082 N/A HIS 371.A N ALA 367.A O no hydrogen 3.411 N/A HIS 371.A ND1 ALA 367.A O no hydrogen 2.667 N/A ALA 372.A N PRO 368.A O no hydrogen 2.681 N/A ILE 373.A N GLY 369.A O no hydrogen 3.031 N/A TYR 374.A N LEU 370.A O no hydrogen 2.807 N/A GLY 375.A N HIS 371.A O no hydrogen 2.719 N/A GLU 376.A N ALA 372.A O no hydrogen 3.342 N/A CYS 377.A N ILE 373.A O no hydrogen 2.948 N/A CYS 377.A SG ILE 373.A O no hydrogen 3.417 N/A ARG 378.A N TYR 374.A O no hydrogen 2.729 N/A ARG 379.A N GLY 375.A O no hydrogen 2.930 N/A ARG 379.A NE GLU 376.A OE2 no hydrogen 3.034 N/A ARG 379.A NH2 GLU 376.A OE1 no hydrogen 3.543 N/A ARG 379.A NH2 GLN 520.A O no hydrogen 3.426 N/A LEU 380.A N GLU 376.A O no hydrogen 3.347 N/A TYR 381.A N CYS 377.A O no hydrogen 2.993 N/A ASP 383.A N ASP 383.A OD1 no hydrogen 2.488 N/A GLN 384.A N TYR 381.A O no hydrogen 3.238 N/A GLN 384.A NE2 ASP 383.A OD2 no hydrogen 3.313 N/A GLN 384.A NE2 ARG 411.A O no hydrogen 2.775 N/A GLN 389.A NE2 TYR 374.A OH no hydrogen 3.080 N/A GLN 389.A NE2 SER 408.A OG no hydrogen 2.832 N/A VAL 390.A N VAL 407.A O no hydrogen 2.989 N/A ALA 392.A N ASP 405.A O no hydrogen 3.205 N/A LYS 395.A NZ ALA 392.A O no hydrogen 2.852 N/A LEU 398.A N LYS 395.A O no hydrogen 3.047 N/A GLY 399.A N TYR 396.A O no hydrogen 3.044 N/A GLY 400.A N LYS 395.A O no hydrogen 2.993 N/A LEU 404.A N GLN 478.A OE1 no hydrogen 2.937 N/A TYR 406.A N PHE 429.A O no hydrogen 3.366 N/A VAL 407.A N VAL 390.A O no hydrogen 2.971 N/A SER 408.A N ILE 427.A O no hydrogen 2.787 N/A MET 409.A N LEU 388.A O no hydrogen 2.835 N/A TYR 410.A N HIS 425.A O no hydrogen 2.929 N/A ASN 412.A N HIS 423.A O no hydrogen 2.856 N/A ASN 412.A ND2 TYR 381.A OH no hydrogen 2.939 N/A ALA 418.A N SER 415.A O no hydrogen 3.085 N/A ASN 419.A N PRO 416.A O no hydrogen 2.978 N/A ILE 420.A N SER 415.A O no hydrogen 3.003 N/A HIS 423.A N ASN 412.A O no hydrogen 2.976 N/A HIS 423.A ND1 PRO 421.A O no hydrogen 2.844 N/A TRP 424.A N LEU 460.A O no hydrogen 2.854 N/A HIS 425.A N TYR 410.A O no hydrogen 2.837 N/A TYR 426.A N PHE 458.A O no hydrogen 2.783 N/A TYR 426.A OH PRO 470.A O no hydrogen 3.007 N/A ILE 427.A N SER 408.A O no hydrogen 2.895 N/A SER 428.A N LEU 456.A O no hydrogen 2.879 N/A SER 428.A OG GLU 455.A OE1 no hydrogen 2.615 N/A SER 428.A OG LEU 456.A O no hydrogen 3.137 N/A PHE 429.A N TYR 406.A O no hydrogen 2.751 N/A GLY 430.A N GLU 455.A OE2 no hydrogen 2.833 N/A SER 432.A N GLU 455.A OE2 no hydrogen 3.036 N/A SER 432.A OG GLU 455.A OE2 no hydrogen 2.756 N/A ASP 433.A N SER 450.A OG no hydrogen 2.747 N/A TYR 435.A OH ASP 405.A OD2 no hydrogen 2.819 N/A GLY 436.A N ASP 433.A OD1 no hydrogen 2.692 N/A ARG 439.A N ASP 437.A OD1 no hydrogen 3.285 N/A ARG 439.A NE ASP 437.A OD1 no hydrogen 2.971 N/A ARG 439.A NE ASP 437.A OD2 no hydrogen 3.326 N/A ARG 439.A NH2 ASP 437.A OD2 no hydrogen 3.122 N/A HIS 441.A NE2 GLY 430.A O no hydrogen 2.801 N/A GLU 442.A N GLU 442.A OE1 no hydrogen 2.060 N/A PHE 443.A N ASN 438.A OD1 no hydrogen 2.734 N/A THR 444.A OG1 PRO 449.A O no hydrogen 3.359 N/A THR 446.A OG1 ASP 447.A OD1 no hydrogen 3.061 N/A SER 450.A N VAL 530.A O no hydrogen 3.401 N/A SER 450.A OG ASP 433.A O no hydrogen 3.492 N/A PHE 452.A N LEU 431.A O no hydrogen 2.951 N/A GLY 453.A N SER 450.A O no hydrogen 2.666 N/A GLU 455.A N THR 532.A O no hydrogen 2.891 N/A LEU 456.A N SER 428.A OG no hydrogen 2.853 N/A THR 457.A N LEU 534.A O no hydrogen 2.807 N/A THR 457.A OG1 ASP 518.A OD2 no hydrogen 3.023 N/A PHE 458.A N TYR 426.A O no hydrogen 2.934 N/A ARG 459.A NE GLN 535.A OE1 no hydrogen 2.827 N/A ARG 459.A NH1 HIS 423.A NE2 no hydrogen 3.239 N/A ARG 459.A NH2 ASP 518.A OD1 no hydrogen 2.832 N/A LEU 460.A N TRP 424.A O no hydrogen 2.904 N/A LYS 461.A N THR 572.A O no hydrogen 3.080 N/A LYS 461.A NZ ASP 573.A OD2 no hydrogen 3.090 N/A ARG 462.A N GLU 422.A O no hydrogen 3.083 N/A ARG 462.A NE GLU 466.A O no hydrogen 3.099 N/A ARG 462.A NH1 GLU 422.A OE1 no hydrogen 3.365 N/A ARG 462.A NH2 GLU 466.A O no hydrogen 2.678 N/A ALA 474.A N THR 471.A O no hydrogen 3.017 N/A LEU 476.A N TRP 472.A O no hydrogen 3.002 N/A MET 477.A N PRO 473.A O no hydrogen 2.927 N/A GLN 478.A N ALA 474.A O no hydrogen 2.829 N/A GLN 478.A NE2 LEU 404.A O no hydrogen 2.838 N/A GLY 479.A N GLU 475.A O no hydrogen 2.877 N/A LEU 480.A N LEU 476.A O no hydrogen 2.866 N/A ALA 481.A N MET 477.A O no hydrogen 2.753 N/A ARG 482.A N GLN 478.A O no hydrogen 2.908 N/A ARG 482.A NE PRO 401.A O no hydrogen 3.205 N/A ARG 482.A NH2 ASP 402.A OD1 no hydrogen 3.447 N/A TYR 483.A N GLY 479.A O no hydrogen 3.075 N/A VAL 484.A N LEU 480.A O no hydrogen 2.733 N/A PHE 485.A N ALA 481.A O no hydrogen 3.039 N/A GLN 486.A N ARG 482.A O no hydrogen 2.657 N/A SER 487.A N TYR 483.A O no hydrogen 2.358 N/A GLU 488.A N VAL 484.A O no hydrogen 2.905 N/A CYS 492.A N ASP 495.A OD2 no hydrogen 3.166 N/A SER 493.A OG GLU 517.A OE1 no hydrogen 2.344 N/A GLY 494.A N LEU 515.A O no hydrogen 2.663 N/A ASP 495.A N CYS 492.A O no hydrogen 3.111 N/A VAL 497.A N MET 513.A O no hydrogen 2.823 N/A TRP 499.A N HIS 512.A ND1 no hydrogen 3.221 N/A HIS 500.A N GLN 511.A O no hydrogen 3.128 N/A SER 501.A OG PRO 502.A O no hydrogen 3.049 N/A LEU 503.A N ILE 510.A O no hydrogen 3.386 N/A ASN 505.A N PRO 502.A O no hydrogen 3.225 N/A SER 506.A N ASP 504.A OD1 no hydrogen 3.045 N/A SER 506.A OG ASP 504.A OD1 no hydrogen 2.381 N/A SER 506.A OG ASP 504.A OD2 no hydrogen 3.096 N/A SER 508.A N SER 506.A OG no hydrogen 3.340 N/A SER 508.A OG MET 574.A O no hydrogen 2.402 N/A ARG 509.A NH1 GLY 577.A O no hydrogen 2.789 N/A ARG 509.A NH1 GLU 582.A OE1 no hydrogen 3.223 N/A ARG 509.A NH1 GLU 582.A OE2 no hydrogen 3.212 N/A ARG 509.A NH2 GLU 542.A OE2 no hydrogen 2.942 N/A ARG 509.A NH2 GLU 582.A OE2 no hydrogen 2.775 N/A ILE 510.A N SER 508.A OG no hydrogen 3.054 N/A GLN 511.A N VAL 539.A O no hydrogen 3.058 N/A GLN 511.A NE2 SER 508.A O no hydrogen 3.598 N/A HIS 512.A N VAL 539.A O no hydrogen 3.182 N/A MET 513.A N VAL 497.A O no hydrogen 3.310 N/A LEU 514.A N VAL 537.A O no hydrogen 2.878 N/A LEU 515.A N ASP 495.A O no hydrogen 3.071 N/A THR 516.A N GLN 535.A O no hydrogen 3.032 N/A GLU 517.A N GLU 517.A OE1 no hydrogen 2.925 N/A ASP 518.A N PHE 533.A O no hydrogen 2.991 N/A GLN 520.A N ASP 518.A OD1 no hydrogen 3.237 N/A MET 521.A N ASP 518.A OD1 no hydrogen 3.169 N/A VAL 524.A N VAL 531.A O no hydrogen 2.914 N/A THR 526.A N GLY 529.A O no hydrogen 2.866 N/A GLY 529.A N THR 526.A O no hydrogen 2.768 N/A VAL 530.A N GLY 448.A O no hydrogen 3.125 N/A VAL 531.A N VAL 524.A O no hydrogen 2.956 N/A THR 532.A N GLY 453.A O no hydrogen 3.028 N/A THR 532.A OG1 GLY 453.A O no hydrogen 3.465 N/A LEU 534.A N GLU 455.A O no hydrogen 2.894 N/A GLN 535.A N THR 516.A O no hydrogen 2.707 N/A GLN 535.A NE2 TRP 569.A O no hydrogen 3.010 N/A ILE 536.A N THR 457.A O no hydrogen 2.743 N/A VAL 537.A N LEU 514.A O no hydrogen 2.844 N/A GLY 538.A N THR 572.A OG1 no hydrogen 2.872 N/A VAL 539.A N HIS 512.A O no hydrogen 2.913 N/A CYS 540.A N GLU 543.A OE1 no hydrogen 3.043 N/A CYS 540.A SG ARG 509.A O no hydrogen 3.704 N/A CYS 540.A SG GLU 543.A OE2 no hydrogen 3.721 N/A THR 541.A OG1 GLU 542.A OE1 no hydrogen 3.286 N/A GLU 542.A N GLU 542.A OE1 no hydrogen 2.840 N/A LEU 544.A N CYS 540.A O no hydrogen 3.019 N/A HIS 545.A N THR 541.A O no hydrogen 2.949 N/A HIS 545.A ND1 GLN 548.A OE1 no hydrogen 3.238 N/A SER 546.A N GLU 542.A O no hydrogen 2.962 N/A SER 546.A OG GLU 542.A O no hydrogen 2.910 N/A ALA 547.A N GLU 543.A O no hydrogen 2.918 N/A GLN 548.A N LEU 544.A O no hydrogen 2.892 N/A GLN 549.A N HIS 545.A O no hydrogen 2.820 N/A TRP 550.A N SER 546.A O no hydrogen 2.828 N/A TRP 550.A NE1 ASP 598.A OD2 no hydrogen 3.121 N/A GLY 554.A N ASN 551.A OD1 no hydrogen 2.886 N/A ILE 555.A N ASN 551.A O no hydrogen 3.473 N/A LEU 556.A N GLY 552.A O no hydrogen 2.834 N/A GLU 557.A N GLN 553.A O no hydrogen 2.977 N/A LEU 558.A N GLY 554.A O no hydrogen 2.971 N/A LEU 559.A N ILE 555.A O no hydrogen 2.889 N/A ARG 560.A N LEU 556.A O no hydrogen 2.928 N/A THR 561.A N GLU 557.A O no hydrogen 3.072 N/A THR 561.A OG1 LEU 558.A O no hydrogen 2.893 N/A VAL 562.A N LEU 558.A O no hydrogen 3.400 N/A ALA 565.A N VAL 562.A O no hydrogen 3.047 N/A GLY 566.A N PRO 563.A O no hydrogen 3.196 N/A GLY 567.A N LEU 559.A O no hydrogen 3.014 N/A LEU 570.A N GLY 567.A O no hydrogen 2.949 N/A ILE 571.A N GLY 566.A O no hydrogen 2.928 N/A THR 572.A N ARG 459.A O no hydrogen 2.861 N/A ARG 575.A N ASP 573.A OD1 no hydrogen 3.036 N/A ARG 576.A N ASP 573.A O no hydrogen 3.139 N/A ARG 576.A NE GLU 578.A O no hydrogen 3.098 N/A ARG 576.A NH2 GLU 543.A OE1 no hydrogen 2.709 N/A ILE 580.A N GLU 543.A OE2 no hydrogen 3.178 N/A PHE 581.A N THR 579.A OG1 no hydrogen 3.273 N/A GLU 582.A N THR 579.A O no hydrogen 3.214 N/A GLU 582.A N THR 579.A OG1 no hydrogen 3.188 N/A ILE 583.A N THR 579.A O no hydrogen 3.340 N/A ASP 584.A N ILE 580.A O no hydrogen 3.174 N/A HIS 586.A N ASP 584.A OD1 no hydrogen 3.201 N/A LEU 587.A N ASP 584.A O no hydrogen 2.993 N/A GLN 588.A N PRO 585.A O no hydrogen 3.336 N/A GLN 588.A NE2 GLN 588.A O no hydrogen 3.631 N/A GLN 588.A NE2 ASP 592.A OD1 no hydrogen 3.407 N/A VAL 591.A N LEU 587.A O no hydrogen 3.146 N/A ASP 592.A N GLN 588.A O no hydrogen 3.066 N/A LYS 593.A N GLU 589.A O no hydrogen 3.303 N/A GLY 594.A N ARG 590.A O no hydrogen 3.254 N/A ILE 595.A N VAL 591.A O no hydrogen 3.041 N/A GLU 596.A N ASP 592.A O no hydrogen 2.911 N/A THR 597.A N LYS 593.A O no hydrogen 2.745 N/A THR 597.A OG1 LYS 593.A O no hydrogen 3.182 N/A THR 597.A OG1 ASP 598.A OD1 no hydrogen 3.454 N/A ASP 598.A N GLY 594.A O no hydrogen 2.658 N/A GLY 599.A N ILE 595.A O no hydrogen 2.833 N/A SER 600.A OG GLN 549.A O no hydrogen 2.462 N/A VAL 605.A N THR 651.A O no hydrogen 2.850 N/A ALA 607.A N LYS 653.A O no hydrogen 3.012 N/A CYS 609.A SG ALA 607.A O no hydrogen 3.837 N/A ALA 610.A N LYS 627.A O no hydrogen 2.974 N/A TRP 611.A NE1 PRO 684.A O no hydrogen 2.875 N/A THR 618.A OG1 HIS 682.A ND1 no hydrogen 2.978 N/A ARG 619.A N ALA 681.A O no hydrogen 2.661 N/A LEU 621.A N TYR 679.A O no hydrogen 2.874 N/A HIS 625.A N ASP 612.A OD2 no hydrogen 2.568 N/A LEU 626.A N LYS 717.A O no hydrogen 3.314 N/A LYS 627.A N ALA 610.A O no hydrogen 2.682 N/A PHE 628.A N LYS 719.A O no hydrogen 2.870 N/A ASN 629.A N LYS 608.A O no hydrogen 3.116 N/A ASN 629.A N SER 632.A OG no hydrogen 3.057 N/A ASN 629.A ND2 SER 721.A O no hydrogen 3.583 N/A ASN 629.A ND2 ILE 722.A O no hydrogen 3.313 N/A GLU 631.A N ASN 629.A OD1 no hydrogen 3.220 N/A SER 632.A OG LYS 608.A O no hydrogen 3.226 N/A SER 632.A OG ASN 629.A O no hydrogen 3.205 N/A GLY 633.A N ASN 629.A O no hydrogen 2.750 N/A ALA 634.A N GLN 630.A O no hydrogen 2.953 N/A LEU 635.A N SER 632.A O no hydrogen 3.156 N/A ILE 636.A N GLY 633.A O no hydrogen 3.174 N/A CYS 639.A N LEU 635.A O no hydrogen 2.802 N/A LEU 640.A N ILE 636.A O no hydrogen 3.005 N/A ARG 641.A N PRO 637.A O no hydrogen 2.656 N/A ARG 641.A NH1 ASP 592.A O no hydrogen 3.144 N/A GLY 642.A N LEU 638.A O no hydrogen 2.864 N/A ARG 643.A NE HIS 649.A O no hydrogen 2.500 N/A ARG 643.A NH2 HIS 649.A O no hydrogen 3.400 N/A LEU 644.A N CYS 639.A O no hydrogen 3.319 N/A LEU 645.A N LEU 640.A O no hydrogen 3.099 N/A HIS 646.A N ARG 643.A O no hydrogen 2.878 N/A GLY 647.A N LEU 644.A O no hydrogen 3.156 N/A ARG 648.A N ARG 643.A O no hydrogen 2.689 N/A ARG 648.A NH1 SER 600.A O no hydrogen 3.488 N/A PHE 650.A N PHE 663.A O no hydrogen 2.954 N/A THR 651.A OG1 THR 662.A OG1 no hydrogen 2.928 N/A TYR 652.A N ILE 661.A O no hydrogen 2.773 N/A TYR 652.A OH SER 632.A O no hydrogen 3.001 N/A LYS 653.A N VAL 605.A O no hydrogen 3.041 N/A SER 654.A N MET 659.A O no hydrogen 3.156 N/A SER 654.A OG CYS 609.A O no hydrogen 3.500 N/A ILE 655.A N ALA 607.A O no hydrogen 3.310 N/A ALA 660.A N PRO 684.A O no hydrogen 3.278 N/A ILE 661.A N TYR 652.A O no hydrogen 2.835 N/A THR 662.A N LEU 686.A O no hydrogen 2.780 N/A THR 662.A OG1 THR 651.A OG1 no hydrogen 2.928 N/A VAL 664.A N ILE 688.A O no hydrogen 2.929 N/A SER 665.A OG LEU 644.A O no hydrogen 2.403 N/A VAL 668.A N SER 665.A O no hydrogen 3.420 N/A PHE 672.A N GLN 687.A OE1 no hydrogen 2.852 N/A THR 674.A N HIS 677.A O no hydrogen 3.256 N/A THR 674.A OG1 GLU 676.A OE1 no hydrogen 3.553 N/A GLU 676.A N GLU 676.A OE1 no hydrogen 2.907 N/A HIS 677.A N THR 674.A OG1 no hydrogen 2.867 N/A ALA 680.A N GLN 687.A O no hydrogen 3.039 N/A ALA 681.A N ARG 619.A O no hydrogen 2.883 N/A HIS 682.A N TRP 685.A O no hydrogen 2.636 N/A HIS 682.A ND1 THR 618.A OG1 no hydrogen 2.978 N/A TRP 685.A N HIS 682.A O no hydrogen 2.901 N/A LEU 686.A N ALA 660.A O no hydrogen 2.993 N/A GLN 687.A N ALA 680.A O no hydrogen 2.884 N/A ILE 688.A N THR 662.A O no hydrogen 3.174 N/A LEU 689.A N PRO 678.A O no hydrogen 3.030 N/A LEU 690.A N VAL 664.A O no hydrogen 3.172 N/A VAL 695.A N THR 691.A O no hydrogen 2.961 N/A GLU 696.A N GLU 692.A O no hydrogen 2.893 N/A LYS 697.A N GLU 693.A O no hydrogen 2.921 N/A MET 698.A N PHE 694.A O no hydrogen 2.867 N/A LEU 699.A N VAL 695.A O no hydrogen 2.927 N/A GLU 700.A N GLU 696.A O no hydrogen 3.072 N/A ASP 701.A N LYS 697.A O no hydrogen 3.075 N/A LEU 702.A N MET 698.A O no hydrogen 3.129 N/A LYS 709.A N VAL 720.A O no hydrogen 3.172 N/A TYR 711.A N LEU 718.A O no hydrogen 2.835 N/A LYS 717.A N VAL 624.A O no hydrogen 3.159 N/A LEU 718.A N TYR 711.A O no hydrogen 2.960 N/A LYS 719.A N LEU 626.A O no hydrogen 3.030 N/A VAL 720.A N LYS 709.A O no hydrogen 2.876 N/A SER 721.A N PHE 628.A O no hydrogen 2.720 N/A VAL 727.A N LEU 723.A O no hydrogen 2.673 N/A