Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8b9l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ PHE 808.A O no hydrogen 3.545 N/A SER 12.A OG ASN 14.A OD1 no hydrogen 2.209 N/A ILE 16.A N SER 12.A O no hydrogen 3.355 N/A ASN 17.A N PRO 13.A O no hydrogen 2.912 N/A LYS 18.A N ASN 14.A O no hydrogen 2.908 N/A ILE 19.A N LEU 15.A O no hydrogen 2.918 N/A ASP 20.A N ILE 16.A O no hydrogen 2.881 N/A GLU 21.A N ASN 17.A O no hydrogen 2.926 N/A VAL 22.A N LYS 18.A O no hydrogen 2.939 N/A ILE 23.A N ILE 19.A O no hydrogen 2.866 N/A LYS 24.A N ASP 20.A O no hydrogen 2.920 N/A GLY 25.A N VAL 22.A O no hydrogen 3.246 N/A LEU 28.A N ILE 23.A O no hydrogen 3.443 N/A ARG 34.A N ASN 32.A O no hydrogen 2.482 N/A ARG 34.A NH2 ILE 792.A O no hydrogen 2.885 N/A TRP 43.A NE1 VAL 216.A O no hydrogen 2.428 N/A ASN 51.A N CYS 56.A O no hydrogen 2.435 N/A THR 52.A OG1 PRO 193.A O no hydrogen 3.538 N/A TRP 53.A NE1 ARG 192.A O no hydrogen 2.806 N/A ALA 64.A N GLY 61.A O no hydrogen 3.246 N/A THR 66.A OG1 GLU 62.A O no hydrogen 2.693 N/A LEU 71.A N SER 67.A O no hydrogen 3.265 N/A SER 72.A N ILE 68.A O no hydrogen 2.889 N/A SER 72.A OG ILE 68.A O no hydrogen 3.041 N/A MET 73.A N ASP 69.A O no hydrogen 3.509 N/A ASP 74.A N ASP 70.A O no hydrogen 2.941 N/A TYR 75.A N LEU 71.A O no hydrogen 2.869 N/A GLU 76.A N SER 72.A O no hydrogen 2.926 N/A ARG 77.A N MET 73.A O no hydrogen 2.927 N/A SER 78.A N ASP 74.A O no hydrogen 2.899 N/A LEU 79.A N TYR 75.A O no hydrogen 2.875 N/A ARG 80.A N GLU 76.A O no hydrogen 2.916 N/A ARG 80.A NE ARG 80.A O no hydrogen 2.775 N/A ASP 81.A N ARG 77.A O no hydrogen 2.912 N/A ARG 82.A N SER 78.A O no hydrogen 2.888 N/A ARG 82.A NH2 GLU 174.A OE1 no hydrogen 3.039 N/A ARG 83.A N LEU 79.A O no hydrogen 2.892 N/A GLN 84.A N ARG 80.A O no hydrogen 2.912 N/A ASN 85.A ND2 ASP 81.A OD1 no hydrogen 2.254 N/A ASP 86.A N ARG 82.A O no hydrogen 2.937 N/A TYR 89.A N ASP 86.A OD1 no hydrogen 2.604 N/A ARG 90.A N ASP 86.A O no hydrogen 3.209 N/A ARG 90.A NE ASP 86.A O no hydrogen 3.313 N/A GLN 91.A N ASN 87.A O no hydrogen 2.911 N/A PHE 92.A N GLU 88.A O no hydrogen 2.906 N/A LEU 93.A N TYR 89.A O no hydrogen 2.898 N/A GLU 94.A N ARG 90.A O no hydrogen 2.921 N/A PHE 95.A N GLN 91.A O no hydrogen 2.880 N/A ARG 96.A N PHE 92.A O no hydrogen 2.890 N/A GLU 97.A N GLU 94.A O no hydrogen 3.180 N/A LYS 98.A NZ GLU 94.A O no hydrogen 2.408 N/A LEU 99.A N ARG 96.A O no hydrogen 3.371 N/A ALA 102.A N LEU 99.A O no hydrogen 3.026 N/A ARG 105.A N ALA 102.A O no hydrogen 3.284 N/A ILE 108.A N MET 104.A O no hydrogen 2.901 N/A LEU 109.A N ARG 105.A O no hydrogen 2.879 N/A THR 110.A N SER 106.A O no hydrogen 2.939 N/A THR 110.A OG1 SER 106.A O no hydrogen 3.032 N/A ALA 111.A N GLU 107.A O no hydrogen 2.897 N/A ILE 112.A N ILE 108.A O no hydrogen 2.915 N/A ASN 113.A N LEU 109.A O no hydrogen 2.906 N/A ASP 114.A N THR 110.A O no hydrogen 2.917 N/A VAL 118.A N VAL 250.A O no hydrogen 3.143 N/A ILE 119.A N PRO 270.A O no hydrogen 3.048 N/A ILE 120.A N LEU 252.A O no hydrogen 2.843 N/A ARG 121.A N LEU 272.A O no hydrogen 2.621 N/A GLY 122.A N SER 254.A O no hydrogen 3.184 N/A THR 124.A OG1 GLU 223.A OE1 no hydrogen 2.761 N/A THR 124.A OG1 HIS 225.A NE2 no hydrogen 3.208 N/A CYS 126.A N ASN 123.A O no hydrogen 3.019 N/A CYS 126.A SG ASN 123.A O no hydrogen 3.207 N/A CYS 126.A SG VAL 274.A O no hydrogen 3.895 N/A LYS 128.A NZ GLU 223.A OE2 no hydrogen 2.843 N/A THR 129.A OG1 ASP 222.A OD2 no hydrogen 2.259 N/A GLN 131.A N LYS 128.A O no hydrogen 3.329 N/A ILE 132.A N LYS 128.A O no hydrogen 2.918 N/A TYR 135.A N GLN 131.A O no hydrogen 2.896 N/A ILE 136.A N ILE 132.A O no hydrogen 2.944 N/A LEU 137.A N ALA 133.A O no hydrogen 2.919 N/A ASP 138.A N GLN 134.A O no hydrogen 2.874 N/A ASP 139.A N TYR 135.A O no hydrogen 2.897 N/A TYR 140.A N ILE 136.A O no hydrogen 2.960 N/A ILE 141.A N LEU 137.A O no hydrogen 2.877 N/A CYS 142.A N ASP 138.A O no hydrogen 2.901 N/A CYS 142.A SG ASP 138.A O no hydrogen 3.454 N/A CYS 142.A SG ASP 138.A OD1 no hydrogen 3.326 N/A GLY 144.A N ILE 141.A O no hydrogen 3.280 N/A GLN 145.A N TYR 140.A O no hydrogen 3.208 N/A TYR 148.A N GLN 145.A O no hydrogen 3.220 N/A TYR 148.A OH ASP 69.A OD1 no hydrogen 3.046 N/A ASN 150.A N SER 217.A OG no hydrogen 2.811 N/A ASN 150.A ND2 PRO 193.A O no hydrogen 3.481 N/A ASN 150.A ND2 GLY 215.A O no hydrogen 2.475 N/A ILE 151.A N ALA 196.A O no hydrogen 3.191 N/A TYR 152.A N HIS 218.A O no hydrogen 2.858 N/A VAL 153.A N LEU 198.A O no hydrogen 3.522 N/A THR 154.A N ILE 220.A O no hydrogen 2.988 N/A THR 154.A OG1 THR 154.A O no hydrogen 2.362 N/A ARG 158.A NE SER 402.A O no hydrogen 3.320 N/A ARG 158.A NH2 SER 402.A O no hydrogen 3.497 N/A SER 160.A OG THR 432.A O no hydrogen 3.419 N/A ALA 161.A N ARG 157.A O no hydrogen 2.976 N/A ILE 162.A N ARG 158.A O no hydrogen 2.940 N/A SER 163.A N ILE 159.A O no hydrogen 2.894 N/A SER 163.A OG ILE 159.A O no hydrogen 2.225 N/A SER 163.A OG SER 160.A O no hydrogen 3.072 N/A VAL 164.A N SER 160.A O no hydrogen 2.892 N/A ALA 165.A N ALA 161.A O no hydrogen 2.925 N/A GLU 166.A N ILE 162.A O no hydrogen 2.942 N/A ARG 167.A N SER 163.A O no hydrogen 2.868 N/A VAL 168.A N VAL 164.A O no hydrogen 2.883 N/A ALA 169.A N ALA 165.A O no hydrogen 2.931 N/A ARG 170.A N GLU 166.A O no hydrogen 2.886 N/A GLU 171.A N ARG 167.A O no hydrogen 2.892 N/A ARG 172.A N VAL 168.A O no hydrogen 3.068 N/A CYS 173.A N ARG 170.A O no hydrogen 3.272 N/A CYS 173.A SG ARG 170.A O no hydrogen 3.933 N/A CYS 173.A SG GLU 171.A O no hydrogen 3.939 N/A GLU 174.A N ALA 169.A O no hydrogen 3.122 N/A GLY 177.A N VAL 180.A O no hydrogen 2.719 N/A THR 179.A N GLU 174.A OE2 no hydrogen 2.666 N/A THR 179.A OG1 GLY 195.A O no hydrogen 2.735 N/A VAL 180.A N GLU 174.A OE2 no hydrogen 3.071 N/A GLY 181.A N ILE 197.A O no hydrogen 3.278 N/A SER 183.A N PHE 199.A O no hydrogen 3.157 N/A SER 183.A OG SER 188.A OG no hydrogen 3.327 N/A VAL 184.A N GLU 187.A O no hydrogen 3.307 N/A SER 188.A OG SER 183.A OG no hydrogen 3.327 N/A SER 188.A OG GLU 187.A O no hydrogen 2.767 N/A VAL 189.A N TYR 182.A O no hydrogen 2.939 N/A ARG 192.A NE TYR 194.A O no hydrogen 2.834 N/A ARG 192.A NE GLY 195.A O no hydrogen 2.677 N/A ARG 192.A NH2 GLY 195.A O no hydrogen 2.694 N/A TYR 194.A OH GLN 47.A O no hydrogen 3.363 N/A GLY 195.A N ALA 149.A O no hydrogen 3.017 N/A ILE 197.A N THR 179.A O no hydrogen 2.708 N/A LEU 198.A N ILE 151.A O no hydrogen 3.125 N/A PHE 199.A N GLY 181.A O no hydrogen 2.825 N/A CYS 200.A N VAL 153.A O no hydrogen 2.927 N/A CYS 200.A SG LEU 198.A O no hydrogen 4.047 N/A CYS 200.A SG THR 201.A O no hydrogen 3.749 N/A LEU 205.A N THR 201.A O no hydrogen 3.018 N/A LEU 206.A N VAL 202.A O no hydrogen 2.910 N/A ARG 207.A N GLY 203.A O no hydrogen 2.915 N/A LYS 208.A N VAL 204.A O no hydrogen 2.888 N/A LYS 208.A NZ SER 183.A OG no hydrogen 3.117 N/A LEU 209.A N LEU 205.A O no hydrogen 2.912 N/A LEU 209.A N LEU 206.A O no hydrogen 3.271 N/A GLU 210.A N ARG 207.A O no hydrogen 3.329 N/A ALA 211.A N LYS 208.A O no hydrogen 2.974 N/A GLY 212.A N LEU 209.A O no hydrogen 3.040 N/A GLY 215.A N ALA 44.A O no hydrogen 2.969 N/A VAL 216.A N LEU 213.A O no hydrogen 3.336 N/A SER 217.A N ASN 150.A O no hydrogen 3.093 N/A SER 217.A OG TYR 148.A O no hydrogen 3.252 N/A HIS 218.A N ASN 150.A O no hydrogen 3.137 N/A ILE 219.A N HIS 249.A O no hydrogen 3.271 N/A ILE 220.A N TYR 152.A O no hydrogen 2.445 N/A ASP 222.A N THR 154.A O no hydrogen 3.257 N/A ASP 222.A N THR 154.A OG1 no hydrogen 3.353 N/A ILE 224.A N MET 253.A O no hydrogen 3.018 N/A HIS 225.A NE2 GLU 223.A OE1 no hydrogen 2.436 N/A SER 231.A N ASP 228.A OD2 no hydrogen 3.369 N/A SER 231.A OG ASP 228.A OD1 no hydrogen 3.485 N/A ASP 232.A N ASP 228.A O no hydrogen 3.180 N/A PHE 233.A N VAL 229.A O no hydrogen 2.935 N/A LEU 234.A N ASN 230.A O no hydrogen 2.928 N/A LEU 235.A N SER 231.A O no hydrogen 2.873 N/A VAL 236.A N ASP 232.A O no hydrogen 2.960 N/A ILE 237.A N PHE 233.A O no hydrogen 2.981 N/A LEU 238.A N LEU 234.A O no hydrogen 2.877 N/A ARG 239.A N LEU 235.A O no hydrogen 2.877 N/A ASP 240.A N VAL 236.A O no hydrogen 2.995 N/A MET 241.A N ILE 237.A O no hydrogen 2.909 N/A VAL 242.A N LEU 238.A O no hydrogen 2.881 N/A ASP 243.A N ARG 239.A O no hydrogen 2.922 N/A THR 244.A N ASP 240.A O no hydrogen 2.938 N/A THR 244.A OG1 ASP 240.A O no hydrogen 3.278 N/A THR 244.A OG1 MET 241.A O no hydrogen 2.652 N/A TYR 245.A N MET 241.A O no hydrogen 2.568 N/A TYR 245.A OH ILE 41.A O no hydrogen 3.158 N/A HIS 249.A N SER 217.A O no hydrogen 3.103 N/A VAL 250.A N PRO 116.A O no hydrogen 2.657 N/A ILE 251.A N ILE 219.A O no hydrogen 3.077 N/A LEU 252.A N VAL 118.A O no hydrogen 2.852 N/A SER 263.A N THR 259.A O no hydrogen 2.922 N/A SER 263.A OG THR 259.A O no hydrogen 3.237 N/A LYS 264.A N THR 260.A O no hydrogen 2.873 N/A TYR 265.A N LYS 261.A O no hydrogen 2.937 N/A PHE 266.A N SER 263.A O no hydrogen 3.161 N/A GLY 267.A N LYS 264.A O no hydrogen 3.156 N/A ILE 268.A N SER 263.A O no hydrogen 2.797 N/A CYS 269.A SG VAL 117.A O no hydrogen 3.527 N/A CYS 269.A SG PHE 266.A O no hydrogen 3.888 N/A LEU 272.A N ILE 119.A O no hydrogen 2.972 N/A VAL 274.A N ARG 121.A O no hydrogen 3.205 N/A ARG 277.A NH2 GLY 276.A O no hydrogen 3.232 N/A PHE 279.A N ARG 277.A O no hydrogen 2.847 N/A GLN 282.A N GLY 485.A O no hydrogen 2.895 N/A GLN 283.A NE2 THR 489.A OG1 no hydrogen 3.418 N/A LEU 286.A N CYS 491.A O no hydrogen 3.208 N/A ASP 288.A N PHE 285.A O no hydrogen 3.265 N/A ILE 290.A N LEU 286.A O no hydrogen 2.927 N/A GLN 291.A N GLU 287.A O no hydrogen 2.907 N/A MET 292.A N ASP 288.A O no hydrogen 2.889 N/A THR 293.A N ILE 289.A O no hydrogen 2.895 N/A THR 293.A OG1 ILE 289.A O no hydrogen 2.365 N/A ARG 302.A N SER 298.A O no hydrogen 2.713 N/A ARG 303.A N ALA 299.A O no hydrogen 2.716 N/A LYS 304.A N GLU 300.A O no hydrogen 2.941 N/A ARG 305.A N SER 301.A O no hydrogen 2.928 N/A LYS 306.A N ARG 302.A O no hydrogen 2.967 N/A GLU 307.A N ARG 303.A O no hydrogen 2.919 N/A VAL 308.A N LYS 304.A O no hydrogen 2.915 N/A GLU 309.A N ARG 305.A O no hydrogen 2.897 N/A ASP 310.A N LYS 306.A O no hydrogen 2.877 N/A GLU 311.A N GLU 307.A O no hydrogen 2.922 N/A GLU 312.A N VAL 308.A O no hydrogen 2.960 N/A GLN 313.A N GLU 309.A O no hydrogen 2.978 N/A GLN 313.A NE2 ASP 310.A O no hydrogen 3.430 N/A LEU 314.A N GLU 311.A O no hydrogen 3.325 N/A ILE 319.A N ALA 317.A O no hydrogen 2.845 N/A ASN 322.A ND2 LEU 340.A O no hydrogen 2.693 N/A LYS 323.A N ASN 320.A O no hydrogen 3.038 N/A LYS 323.A NZ ALA 338.A O no hydrogen 3.330 N/A VAL 324.A N TYR 321.A O no hydrogen 3.335 N/A CYS 325.A SG GLU 287.A OE1 no hydrogen 3.678 N/A CYS 325.A SG GLU 326.A O no hydrogen 3.773 N/A THR 333.A N SER 330.A OG no hydrogen 3.420 N/A ARG 334.A N SER 330.A O no hydrogen 3.121 N/A ASN 335.A N GLN 331.A O no hydrogen 2.911 N/A ALA 336.A N LYS 332.A O no hydrogen 2.896 N/A MET 337.A N THR 333.A O no hydrogen 2.914 N/A ALA 338.A N ARG 334.A O no hydrogen 2.905 N/A MET 339.A N ASN 335.A O no hydrogen 2.941 N/A LEU 340.A N MET 337.A O no hydrogen 3.239 N/A SER 341.A OG GLU 309.A OE2 no hydrogen 3.546 N/A SER 343.A N SER 341.A OG no hydrogen 3.375 N/A LEU 349.A N SER 346.A OG no hydrogen 2.948 N/A LEU 350.A N SER 346.A O no hydrogen 3.313 N/A GLU 351.A N PHE 347.A O no hydrogen 2.896 N/A ALA 352.A N GLU 348.A O no hydrogen 2.908 N/A LEU 353.A N LEU 349.A O no hydrogen 2.897 N/A LEU 354.A N LEU 350.A O no hydrogen 2.922 N/A MET 355.A N GLU 351.A O no hydrogen 2.901 N/A HIS 356.A N ALA 352.A O no hydrogen 2.900 N/A ILE 357.A N LEU 353.A O no hydrogen 2.917 N/A LYS 358.A N LEU 354.A O no hydrogen 2.891 N/A SER 359.A N MET 355.A O no hydrogen 2.892 N/A SER 359.A OG HIS 356.A O no hydrogen 2.405 N/A LYS 360.A N HIS 356.A O no hydrogen 2.922 N/A ASN 361.A N ILE 357.A O no hydrogen 3.375 N/A ALA 365.A N ASP 438.A O no hydrogen 3.228 N/A ILE 366.A N LYS 422.A O no hydrogen 3.042 N/A LEU 367.A N PHE 441.A O no hydrogen 2.951 N/A VAL 368.A N ILE 424.A O no hydrogen 3.031 N/A PHE 369.A N ILE 443.A O no hydrogen 3.167 N/A TRP 373.A NE1 HIS 401.A NE2 no hydrogen 2.991 N/A ILE 376.A N GLY 372.A O no hydrogen 3.205 N/A PHE 377.A N TRP 373.A O no hydrogen 2.917 N/A ALA 378.A N ASN 374.A O no hydrogen 2.904 N/A LEU 379.A N LEU 375.A O no hydrogen 2.882 N/A MET 380.A N ILE 376.A O no hydrogen 2.907 N/A LYS 381.A N PHE 377.A O no hydrogen 2.914 N/A PHE 382.A N ALA 378.A O no hydrogen 2.910 N/A LEU 383.A N LEU 379.A O no hydrogen 2.896 N/A GLN 384.A N MET 380.A O no hydrogen 2.913 N/A ASN 385.A N LYS 381.A O no hydrogen 2.833 N/A THR 386.A N PHE 382.A O no hydrogen 2.909 N/A THR 386.A OG1 PHE 382.A O no hydrogen 3.430 N/A SER 393.A N ASP 391.A OD1 no hydrogen 3.184 N/A SER 393.A OG ASP 391.A OD1 no hydrogen 3.417 N/A GLN 394.A N ASP 391.A O no hydrogen 3.460 N/A GLN 394.A NE2 ASP 391.A OD2 no hydrogen 2.515 N/A TYR 395.A N ASP 391.A O no hydrogen 2.932 N/A CYS 400.A N LEU 425.A O no hydrogen 3.211 N/A ARG 406.A NH1 ARG 406.A O no hydrogen 3.295 N/A GLN 409.A N PRO 405.A O no hydrogen 3.294 N/A GLN 409.A NE2 HIS 401.A O no hydrogen 2.916 N/A GLN 409.A NE2 SER 402.A O no hydrogen 2.379 N/A ARG 410.A N ARG 406.A O no hydrogen 2.913 N/A ARG 410.A NH1 GLU 166.A OE2 no hydrogen 3.445 N/A LYS 411.A N ASP 407.A O no hydrogen 2.901 N/A VAL 412.A N GLU 408.A O no hydrogen 2.910 N/A VAL 412.A N GLN 409.A O no hydrogen 3.193 N/A GLU 414.A N LYS 411.A O no hydrogen 3.359 N/A THR 421.A OG1 VAL 420.A O no hydrogen 2.417 N/A LYS 422.A NZ GLU 414.A O no hydrogen 2.801 N/A ILE 423.A N GLN 396.A O no hydrogen 2.855 N/A ILE 424.A N ILE 366.A O no hydrogen 3.075 N/A SER 426.A N VAL 368.A O no hydrogen 3.018 N/A THR 427.A OG1 HIS 401.A ND1 no hydrogen 3.289 N/A VAL 440.A N ALA 365.A O no hydrogen 3.137 N/A VAL 442.A N PHE 486.A O no hydrogen 3.148 N/A ILE 443.A N LEU 367.A O no hydrogen 2.548 N/A CYS 446.A N ASP 444.A OD1 no hydrogen 2.731 N/A LYS 447.A NZ GLU 342.A O no hydrogen 2.923 N/A ALA 448.A N VAL 465.A O no hydrogen 2.429 N/A ARG 449.A NH2 GLU 764.A OE2 no hydrogen 2.975 N/A MET 450.A N ALA 448.A O no hydrogen 2.929 N/A LYS 451.A NZ LEU 452.A O no hydrogen 3.163 N/A LYS 451.A NZ PHE 453.A O no hydrogen 2.970 N/A LYS 451.A NZ ARG 509.A O no hydrogen 3.151 N/A LEU 452.A N SER 461.A O no hydrogen 3.373 N/A THR 454.A OG1 THR 510.A O no hydrogen 3.296 N/A SER 455.A OG GLU 545.A OE1 no hydrogen 3.226 N/A VAL 465.A N ALA 448.A O no hydrogen 2.611 N/A ALA 467.A N CYS 446.A O no hydrogen 3.186 N/A LYS 469.A N GLU 500.A O no hydrogen 2.731 N/A LYS 469.A NZ PHE 496.A O no hydrogen 3.289 N/A LYS 469.A NZ GLN 497.A O no hydrogen 3.263 N/A LYS 469.A NZ LEU 499.A O no hydrogen 2.742 N/A THR 470.A N ASP 501.A O no hydrogen 3.087 N/A THR 470.A OG1 GLN 474.A OE1 no hydrogen 2.789 N/A LEU 472.A N SER 468.A O no hydrogen 2.971 N/A GLU 473.A N LYS 469.A O no hydrogen 2.884 N/A GLN 474.A N THR 470.A O no hydrogen 2.906 N/A ARG 475.A N ASN 471.A O no hydrogen 2.883 N/A LYS 476.A N LEU 472.A O no hydrogen 2.866 N/A LYS 476.A NZ GLN 283.A OE1 no hydrogen 3.463 N/A GLY 477.A N GLU 473.A O no hydrogen 2.901 N/A ARG 478.A N GLN 474.A O no hydrogen 2.892 N/A ALA 479.A N LYS 476.A O no hydrogen 3.015 N/A GLY 480.A N ILE 439.A O no hydrogen 3.172 N/A ARG 483.A NE PRO 484.A O no hydrogen 3.358 N/A ARG 483.A NH2 PRO 484.A O no hydrogen 3.514 N/A PHE 486.A N VAL 440.A O no hydrogen 3.298 N/A CYS 487.A SG THR 489.A OG1 no hydrogen 3.332 N/A PHE 488.A N VAL 442.A O no hydrogen 2.762 N/A THR 489.A N CYS 487.A O no hydrogen 2.734 N/A THR 489.A OG1 CYS 487.A O no hydrogen 3.327 N/A LEU 490.A N ASP 444.A O no hydrogen 3.036 N/A SER 492.A OG TYR 321.A O no hydrogen 2.857 N/A ARG 493.A NE TYR 329.A OH no hydrogen 3.099 N/A ARG 495.A N SER 492.A OG no hydrogen 3.202 N/A PHE 496.A N SER 492.A O no hydrogen 3.100 N/A GLN 497.A N ARG 493.A O no hydrogen 2.899 N/A ALA 498.A N ALA 494.A O no hydrogen 2.922 N/A ALA 498.A N ARG 495.A O no hydrogen 3.134 N/A LEU 499.A N PHE 496.A O no hydrogen 3.033 N/A PHE 508.A N PRO 505.A O no hydrogen 3.353 N/A ARG 509.A N GLU 506.A O no hydrogen 3.275 N/A ARG 509.A NE THR 504.A O no hydrogen 3.458 N/A THR 510.A OG1 GLU 506.A O no hydrogen 2.539 N/A THR 510.A OG1 MET 507.A O no hydrogen 3.566 N/A ALA 516.A N LEU 512.A O no hydrogen 3.065 N/A LEU 517.A N HIS 513.A O no hydrogen 2.920 N/A THR 518.A N GLU 514.A O no hydrogen 2.909 N/A THR 518.A OG1 GLU 514.A O no hydrogen 3.104 N/A ILE 519.A N MET 515.A O no hydrogen 2.895 N/A LYS 520.A N ALA 516.A O no hydrogen 2.949 N/A LEU 521.A N LEU 517.A O no hydrogen 2.870 N/A LEU 522.A N THR 518.A O no hydrogen 3.148 N/A ARG 523.A N LYS 520.A O no hydrogen 3.177 N/A LEU 524.A N ILE 519.A O no hydrogen 3.009 N/A LEU 531.A N ILE 527.A O no hydrogen 2.906 N/A SER 532.A N HIS 528.A O no hydrogen 2.879 N/A SER 532.A OG HIS 528.A O no hydrogen 3.309 N/A SER 532.A OG HIS 529.A O no hydrogen 2.586 N/A LYS 533.A N HIS 529.A O no hydrogen 2.929 N/A ALA 534.A N LEU 531.A O no hydrogen 3.181 N/A VAL 543.A N PRO 539.A O no hydrogen 3.104 N/A ILE 544.A N VAL 540.A O no hydrogen 2.913 N/A GLU 545.A N ASP 541.A O no hydrogen 2.904 N/A ALA 546.A N ALA 542.A O no hydrogen 2.886 N/A GLU 547.A N VAL 543.A O no hydrogen 2.924 N/A VAL 548.A N ILE 544.A O no hydrogen 2.908 N/A LEU 549.A N GLU 545.A O no hydrogen 2.923 N/A LEU 550.A N ALA 546.A O no hydrogen 2.903 N/A ARG 551.A N GLU 547.A O no hydrogen 2.913 N/A ARG 551.A NH2 ASP 560.A O no hydrogen 2.779 N/A GLU 552.A N VAL 548.A O no hydrogen 2.927 N/A ARG 554.A NH2 ARG 551.A O no hydrogen 2.347 N/A CYS 555.A SG LEU 569.A O no hydrogen 3.189 N/A ALA 558.A N LEU 556.A O no hydrogen 2.775 N/A ASN 559.A ND2 ASN 559.A O no hydrogen 2.460 N/A LEU 565.A N THR 563.A OG1 no hydrogen 2.697 N/A GLY 579.A N GLU 575.A O no hydrogen 2.933 N/A LYS 580.A N PRO 576.A O no hydrogen 2.906 N/A MET 581.A N ARG 577.A O no hydrogen 2.953 N/A MET 582.A N LEU 578.A O no hydrogen 2.879 N/A VAL 583.A N GLY 579.A O no hydrogen 2.892 N/A LEU 584.A N LYS 580.A O no hydrogen 2.939 N/A GLY 585.A N MET 581.A O no hydrogen 2.891 N/A ALA 586.A N MET 582.A O no hydrogen 2.891 N/A VAL 587.A N VAL 583.A O no hydrogen 2.931 N/A PHE 588.A N LEU 584.A O no hydrogen 3.035 N/A GLY 589.A N ALA 586.A O no hydrogen 3.399 N/A CYS 590.A N GLY 585.A O no hydrogen 2.820 N/A CYS 590.A SG GLY 585.A O no hydrogen 3.239 N/A MET 594.A N CYS 590.A O no hydrogen 3.132 N/A ALA 595.A N ALA 591.A O no hydrogen 2.867 N/A ILE 596.A N ASP 592.A O no hydrogen 2.991 N/A MET 597.A N LEU 593.A O no hydrogen 2.958 N/A ALA 598.A N MET 594.A O no hydrogen 2.877 N/A SER 599.A N ALA 595.A O no hydrogen 2.910 N/A SER 599.A OG ILE 596.A O no hydrogen 2.627 N/A SER 599.A OG ILE 670.A O no hydrogen 3.065 N/A TYR 600.A N ILE 596.A O no hydrogen 2.914 N/A SER 601.A N MET 597.A O no hydrogen 2.899 N/A SER 602.A N ALA 598.A O no hydrogen 2.909 N/A THR 603.A N TYR 600.A O no hydrogen 3.358 N/A THR 603.A OG1 SER 599.A O no hydrogen 3.338 N/A SER 605.A OG THR 666.A OG1 no hydrogen 3.235 N/A SER 609.A OG GLY 661.A O no hydrogen 2.905 N/A GLN 621.A NE2 ARG 616.A O no hydrogen 3.666 N/A LYS 622.A NZ VAL 746.A O no hydrogen 3.178 N/A LYS 622.A NZ CYS 748.A O no hydrogen 2.464 N/A SER 625.A N LYS 622.A O no hydrogen 3.270 N/A SER 625.A OG SER 630.A O no hydrogen 2.751 N/A GLY 626.A N ALA 623.A O no hydrogen 3.175 N/A SER 630.A N SER 625.A OG no hydrogen 2.425 N/A ASP 631.A N LEU 776.A O no hydrogen 3.037 N/A ALA 634.A N SER 630.A O no hydrogen 3.243 N/A MET 635.A N ASP 631.A O no hydrogen 2.887 N/A ILE 636.A N HIS 632.A O no hydrogen 2.934 N/A VAL 637.A N VAL 633.A O no hydrogen 2.983 N/A ALA 638.A N ALA 634.A O no hydrogen 2.903 N/A SER 639.A N MET 635.A O no hydrogen 2.849 N/A SER 639.A OG MET 635.A O no hydrogen 3.030 N/A SER 639.A OG ILE 636.A O no hydrogen 2.652 N/A GLN 640.A N ILE 636.A O no hydrogen 2.887 N/A GLN 640.A NE2 VAL 696.A O no hydrogen 3.042 N/A MET 641.A N VAL 637.A O no hydrogen 3.007 N/A TRP 642.A N ALA 638.A O no hydrogen 2.851 N/A ARG 643.A N SER 639.A O no hydrogen 2.878 N/A ARG 644.A N GLN 640.A O no hydrogen 2.992 N/A GLU 645.A N MET 641.A O no hydrogen 2.876 N/A LYS 646.A N TRP 642.A O no hydrogen 2.881 N/A GLN 647.A N ARG 643.A O no hydrogen 2.942 N/A GLN 647.A NE2 GLN 647.A O no hydrogen 2.836 N/A ARG 648.A N ARG 644.A O no hydrogen 2.924 N/A ARG 648.A NH2 GLU 645.A OE1 no hydrogen 3.564 N/A ALA 654.A N GLU 650.A O no hydrogen 2.947 N/A ARG 655.A N HIS 651.A O no hydrogen 2.911 N/A PHE 656.A N MET 652.A O no hydrogen 2.846 N/A CYS 657.A N GLU 653.A O no hydrogen 2.915 N/A CYS 657.A SG LEU 662.A O no hydrogen 2.953 N/A ASP 658.A N ARG 655.A O no hydrogen 3.030 N/A TRP 659.A N PHE 656.A O no hydrogen 2.962 N/A THR 666.A OG1 SER 605.A OG no hydrogen 3.235 N/A THR 666.A OG1 GLU 606.A O no hydrogen 2.599 N/A THR 666.A OG1 GLN 663.A OE1 no hydrogen 3.239 N/A MET 667.A N GLN 663.A O no hydrogen 3.356 N/A ASN 668.A N MET 664.A O no hydrogen 2.936 N/A VAL 669.A N SER 665.A O no hydrogen 2.911 N/A ILE 670.A N THR 666.A O no hydrogen 2.928 N/A TRP 671.A N MET 667.A O no hydrogen 2.914 N/A ASP 672.A N ASN 668.A O no hydrogen 2.929 N/A ALA 673.A N VAL 669.A O no hydrogen 2.933 N/A LYS 674.A N ILE 670.A O no hydrogen 2.904 N/A GLN 675.A N TRP 671.A O no hydrogen 2.905 N/A GLN 676.A N ASP 672.A O no hydrogen 2.909 N/A LEU 677.A N ALA 673.A O no hydrogen 2.916 N/A LEU 678.A N LYS 674.A O no hydrogen 2.917 N/A ASP 679.A N GLN 675.A O no hydrogen 2.894 N/A LEU 680.A N GLN 676.A O no hydrogen 2.880 N/A LEU 681.A N LEU 677.A O no hydrogen 2.950 N/A GLN 682.A N LEU 678.A O no hydrogen 2.885 N/A GLN 683.A N ASP 679.A O no hydrogen 2.906 N/A ALA 684.A N LEU 681.A O no hydrogen 2.879 N/A PHE 686.A N LEU 681.A O no hydrogen 3.204 N/A CYS 690.A SG PRO 687.A O no hydrogen 3.131 N/A MET 691.A N GLU 688.A O no hydrogen 3.282 N/A VAL 696.A N GLN 640.A OE1 no hydrogen 2.616 N/A GLU 698.A N GLU 698.A OE1 no hydrogen 2.525 N/A ASP 708.A N ASP 704.A O no hydrogen 3.112 N/A VAL 709.A N PRO 705.A O no hydrogen 2.894 N/A SER 710.A N VAL 706.A O no hydrogen 2.960 N/A SER 710.A OG VAL 706.A O no hydrogen 3.102 N/A LEU 711.A N LEU 707.A O no hydrogen 2.937 N/A ALA 712.A N ASP 708.A O no hydrogen 2.866 N/A LEU 713.A N VAL 709.A O no hydrogen 2.945 N/A LEU 714.A N SER 710.A O no hydrogen 3.017 N/A CYS 715.A N ALA 712.A O no hydrogen 2.652 N/A GLY 717.A N LEU 713.A O no hydrogen 2.896 N/A LEU 718.A N LEU 714.A O no hydrogen 3.039 N/A TYR 719.A OH GLY 788.A O no hydrogen 3.268 N/A ASN 721.A N LEU 718.A O no hydrogen 2.764 N/A ILE 722.A N PRO 720.A O no hydrogen 2.920 N/A CYS 723.A N PHE 760.A O no hydrogen 2.900 N/A HIS 725.A N PRO 758.A O no hydrogen 2.958 N/A VAL 731.A N ALA 739.A O no hydrogen 2.956 N/A THR 733.A N LYS 737.A O no hydrogen 2.821 N/A ALA 739.A N VAL 731.A O no hydrogen 3.054 N/A LEU 740.A N VAL 771.A O no hydrogen 2.559 N/A LEU 741.A N ARG 729.A O no hydrogen 3.435 N/A HIS 742.A N CYS 773.A O no hydrogen 2.868 N/A HIS 742.A ND1 THR 744.A OG1 no hydrogen 2.583 N/A LYS 743.A NZ ASN 750.A OD1 no hydrogen 3.451 N/A THR 744.A N HIS 742.A ND1 no hydrogen 3.423 N/A THR 744.A OG1 HIS 742.A ND1 no hydrogen 2.583 N/A SER 745.A N HIS 742.A O no hydrogen 3.130 N/A SER 745.A OG ASP 631.A OD2 no hydrogen 2.531 N/A ASN 747.A ND2 CYS 629.A O no hydrogen 2.423 N/A CYS 748.A N SER 745.A O no hydrogen 3.392 N/A SER 749.A OG CYS 748.A O no hydrogen 2.804 N/A PHE 760.A N CYS 723.A O no hydrogen 2.883 N/A VAL 761.A N SER 777.A O no hydrogen 2.887 N/A PHE 762.A N ASN 721.A O no hydrogen 3.145 N/A THR 768.A N ALA 770.A O no hydrogen 2.888 N/A ARG 769.A N THR 768.A OG1 no hydrogen 2.625 N/A SER 772.A N ILE 766.A O no hydrogen 2.994 N/A CYS 773.A N LEU 740.A O no hydrogen 2.742 N/A LYS 774.A N GLU 764.A O no hydrogen 2.866 N/A LEU 776.A N ASP 631.A OD2 no hydrogen 2.699 N/A SER 777.A N VAL 761.A O no hydrogen 2.708 N/A SER 777.A OG SER 630.A OG no hydrogen 2.399 N/A SER 777.A OG HIS 632.A ND1 no hydrogen 3.209 N/A MET 778.A N SER 630.A OG no hydrogen 3.068 N/A VAL 779.A N PHE 759.A O no hydrogen 3.158 N/A SER 780.A OG.B GLN 783.A OE1 no hydrogen 2.155 N/A GLN 783.A N GLN 783.A OE1 no hydrogen 2.589 N/A GLN 783.A NE2 SER 780.A OG.A no hydrogen 3.054 N/A VAL 784.A N SER 780.A O no hydrogen 3.309 N/A ILE 785.A N PRO 781.A O no hydrogen 2.959 N/A LEU 786.A N LEU 782.A O no hydrogen 2.846 N/A PHE 787.A N GLN 783.A O no hydrogen 2.924 N/A GLY 788.A N VAL 784.A O no hydrogen 2.612 N/A SER 789.A OG ILE 785.A O no hydrogen 2.883 N/A ALA 796.A N LEU 794.A O no hydrogen 2.672 N/A ARG 801.A NE LEU 806.A O no hydrogen 3.397 N/A ARG 801.A NH2 LEU 806.A O no hydrogen 3.197 N/A ASP 803.A N SER 789.A O no hydrogen 2.656 N/A TRP 805.A N ASP 803.A O no hydrogen 2.501 N/A ASN 807.A ND2 ILE 799.A O no hydrogen 3.361 N/A GLU 813.A N GLU 813.A OE1 no hydrogen 2.786 N/A LEU 814.A N GLU 811.A O no hydrogen 2.711 N/A ALA 816.A N PRO 812.A O no hydrogen 2.893 N/A LYS 817.A N GLU 813.A O no hydrogen 2.966 N/A LYS 817.A NZ ASP 20.A OD1 no hydrogen 2.774 N/A ILE 818.A N LEU 814.A O no hydrogen 2.938 N/A GLY 819.A N ALA 815.A O no hydrogen 2.895 N/A ALA 820.A N ALA 816.A O no hydrogen 2.910 N/A LEU 821.A N LYS 817.A O no hydrogen 2.878 N/A LYS 822.A N ILE 818.A O no hydrogen 2.944 N/A LYS 822.A NZ LEU 786.A O no hydrogen 3.043 N/A LEU 825.A N LEU 821.A O no hydrogen 2.878 N/A GLU 826.A N LYS 822.A O no hydrogen 2.995 N/A ASP 827.A N PRO 823.A O no hydrogen 2.867 N/A LEU 828.A N ALA 824.A O no hydrogen 2.888 N/A ILE 829.A N LEU 825.A O no hydrogen 2.913 N/A THR 830.A N GLU 826.A O no hydrogen 2.947 N/A THR 830.A OG1 GLU 826.A O no hydrogen 3.152 N/A VAL 831.A N ASP 827.A O no hydrogen 2.888 N/A ALA 832.A N LEU 828.A O no hydrogen 2.884 N/A CYS 833.A N ILE 829.A O no hydrogen 2.922 N/A CYS 833.A SG ILE 829.A O no hydrogen 3.586 N/A CYS 833.A SG THR 830.A O no hydrogen 3.070 N/A ASP 834.A N THR 830.A O no hydrogen 2.920 N/A ASN 835.A N VAL 831.A O no hydrogen 3.159 N/A ASP 838.A N ASN 835.A O no hydrogen 3.164 N/A TYR 846.A N GLU 843.A O no hydrogen 3.115 N/A TYR 846.A OH ASP 827.A OD1 no hydrogen 2.969 N/A TYR 846.A OH ASP 827.A OD2 no hydrogen 2.462 N/A ALA 847.A N GLU 843.A O no hydrogen 3.260 N/A GLN 848.A N GLU 844.A O no hydrogen 2.903 N/A GLN 848.A NE2 GLU 21.A OE2 no hydrogen 3.082 N/A LEU 849.A N PRO 845.A O no hydrogen 2.883 N/A VAL 850.A N TYR 846.A O no hydrogen 2.914 N/A LYS 851.A N ALA 847.A O no hydrogen 2.909 N/A VAL 852.A N GLN 848.A O no hydrogen 2.868 N/A VAL 853.A N LEU 849.A O no hydrogen 2.944 N/A LYS 854.A N VAL 850.A O no hydrogen 2.898 N/A LYS 854.A NZ PHE 588.A O no hydrogen 2.878 N/A ASP 855.A N LYS 851.A O no hydrogen 2.946 N/A LEU 856.A N VAL 852.A O no hydrogen 2.867 N/A CYS 857.A N LYS 854.A O no hydrogen 3.258 N/A