Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6x6c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 2.A O no hydrogen 3.246 N/A ARG 6.A NE ASP 703.A OD2 no hydrogen 2.698 N/A ARG 6.A NH2 ASP 703.A OD2 no hydrogen 2.890 N/A PHE 7.A N LYS 619.A O no hydrogen 2.962 N/A HIS 12.A N GLN 843.A OE1 no hydrogen 2.654 N/A GLY 16.A N SER 13.A OG no hydrogen 3.011 N/A LEU 17.A N SER 13.A O no hydrogen 2.840 N/A ARG 18.A N TRP 14.A O no hydrogen 2.910 N/A SER 19.A N ASP 15.A O no hydrogen 2.867 N/A SER 19.A OG GLY 16.A O no hydrogen 2.527 N/A ILE 20.A N GLY 16.A O no hydrogen 2.923 N/A ILE 21.A N LEU 17.A O no hydrogen 2.944 N/A HIS 22.A N ARG 18.A O no hydrogen 2.822 N/A HIS 22.A ND1 GLU 832.A OE1 no hydrogen 3.259 N/A GLY 23.A N SER 19.A O no hydrogen 2.847 N/A SER 24.A N ILE 21.A O no hydrogen 3.188 N/A SER 24.A OG ILE 20.A O no hydrogen 2.915 N/A ARG 25.A N HIS 22.A O no hydrogen 2.971 N/A SER 28.A OG SER 24.A O no hydrogen 3.266 N/A HIS 37.A ND1 ALA 35.A O no hydrogen 3.065 N/A GLN 40.A N TYR 56.A O no hydrogen 2.886 N/A VAL 42.A N ARG 54.A O no hydrogen 2.998 N/A SER 52.A N ILE 74.A O no hydrogen 2.383 N/A SER 52.A OG HIS 53.A ND1 no hydrogen 2.800 N/A SER 52.A OG ILE 74.A O no hydrogen 2.862 N/A SER 52.A OG PRO 75.A O no hydrogen 2.725 N/A HIS 53.A N ILE 74.A O no hydrogen 2.916 N/A HIS 53.A ND1 SER 52.A OG no hydrogen 2.800 N/A ARG 54.A N VAL 42.A O no hydrogen 2.898 N/A ARG 54.A NE GLU 73.A OE1 no hydrogen 3.390 N/A ARG 54.A NH1 ASP 147.A OD2 no hydrogen 2.557 N/A ARG 54.A NH1 MET 154.A O no hydrogen 3.318 N/A ARG 54.A NH2 MET 154.A O no hydrogen 2.866 N/A LEU 55.A N SER 72.A O no hydrogen 2.958 N/A TYR 56.A N GLN 40.A O no hydrogen 2.932 N/A TYR 56.A OH ASP 147.A OD2 no hydrogen 2.419 N/A TYR 57.A N LEU 70.A O no hydrogen 3.043 N/A TYR 57.A OH SER 72.A OG no hydrogen 2.872 N/A LEU 58.A N HIS 37.A O no hydrogen 2.998 N/A GLY 59.A N SER 68.A O no hydrogen 2.852 N/A SER 64.A N PRO 61.A O no hydrogen 3.220 N/A ASN 67.A N PHE 120.A O no hydrogen 2.799 N/A SER 68.A N GLY 59.A O no hydrogen 3.003 N/A LEU 70.A N TYR 57.A O no hydrogen 2.848 N/A TYR 71.A N LYS 89.A O no hydrogen 3.063 N/A SER 72.A N LEU 55.A O no hydrogen 2.856 N/A SER 72.A OG TYR 57.A OH no hydrogen 2.872 N/A SER 72.A OG SER 87.A O no hydrogen 3.126 N/A ILE 74.A N HIS 53.A O no hydrogen 2.942 N/A LYS 76.A N PRO 50.A O no hydrogen 3.110 N/A LEU 86.A N SER 577.A O no hydrogen 2.802 N/A TRP 88.A NE1 MET 578.A O no hydrogen 3.101 N/A LYS 89.A N TYR 71.A O no hydrogen 2.988 N/A MET 91.A N LEU 69.A O no hydrogen 3.473 N/A GLY 102.A N PRO 99.A O no hydrogen 3.275 N/A VAL 103.A N HIS 100.A O no hydrogen 3.322 N/A SER 105.A N GLU 108.A OE1 no hydrogen 2.471 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.719 N/A GLU 108.A N SER 105.A OG no hydrogen 3.128 N/A GLU 109.A N SER 105.A O no hydrogen 2.893 N/A LEU 110.A N ARG 106.A O no hydrogen 2.915 N/A LEU 111.A N GLU 107.A O no hydrogen 2.900 N/A ARG 112.A N GLU 108.A O no hydrogen 2.889 N/A ARG 112.A NH2 VAL 119.A O no hydrogen 2.496 N/A GLU 113.A N GLU 109.A O no hydrogen 2.947 N/A ARG 114.A N LEU 110.A O no hydrogen 2.927 N/A ARG 114.A NE GLU 231.A OE1 no hydrogen 2.250 N/A ARG 114.A NH1 GLU 792.A OE2 no hydrogen 3.082 N/A ARG 114.A NH2 GLU 792.A OE2 no hydrogen 3.066 N/A LYS 115.A N LEU 111.A O no hydrogen 2.906 N/A ARG 116.A N GLU 113.A O no hydrogen 3.388 N/A ARG 116.A NH1 GLU 113.A O no hydrogen 3.287 N/A ARG 116.A NH1 GLU 231.A OE2 no hydrogen 3.098 N/A ARG 116.A NH2 GLU 231.A OE2 no hydrogen 3.331 N/A LEU 117.A N ARG 112.A O no hydrogen 2.781 N/A GLY 121.A N TYR 104.A OH no hydrogen 3.198 N/A ILE 122.A N ASN 67.A O no hydrogen 2.865 N/A TYR 125.A OH ASP 38.A O no hydrogen 2.748 N/A ASP 126.A N LEU 135.A O no hydrogen 2.883 N/A HIS 128.A N LEU 133.A O no hydrogen 2.947 N/A HIS 128.A ND1 SER 131.A OG no hydrogen 2.957 N/A HIS 128.A NE2 PRO 178.A O no hydrogen 2.882 N/A SER 129.A OG GLU 130.A OE1 no hydrogen 2.954 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.826 N/A SER 131.A OG HIS 128.A ND1 no hydrogen 2.957 N/A LEU 133.A N HIS 128.A O no hydrogen 2.982 N/A PHE 134.A N CYS 145.A O no hydrogen 2.821 N/A LEU 135.A N ASP 126.A O no hydrogen 2.930 N/A PHE 136.A N PHE 143.A O no hydrogen 2.926 N/A ALA 138.A N SER 141.A O no hydrogen 2.957 N/A SER 139.A N ALA 97.A O no hydrogen 2.760 N/A SER 139.A OG ALA 138.A O no hydrogen 2.714 N/A ASN 140.A N SER 139.A OG no hydrogen 2.566 N/A SER 141.A N ALA 138.A O no hydrogen 2.997 N/A SER 141.A OG ALA 138.A O no hydrogen 3.437 N/A SER 141.A OG SER 139.A OG no hydrogen 3.262 N/A SER 141.A OG GLU 162.A OE1 no hydrogen 3.039 N/A PHE 143.A N PHE 136.A O no hydrogen 2.953 N/A HIS 144.A N LEU 161.A O no hydrogen 2.894 N/A CYS 145.A N PHE 134.A O no hydrogen 3.021 N/A ASP 147.A N GLY 132.A O no hydrogen 3.031 N/A GLY 149.A N ASN 151.A OD1 no hydrogen 3.165 N/A MET 154.A N ASP 147.A OD1 no hydrogen 3.347 N/A MET 158.A N MET 91.A O no hydrogen 3.168 N/A LEU 161.A N HIS 144.A O no hydrogen 2.927 N/A ILE 163.A N LEU 142.A O no hydrogen 2.968 N/A THR 165.A OG1 GLU 202.A OE2 no hydrogen 3.099 N/A GLN 166.A N GLU 202.A OE1 no hydrogen 3.384 N/A CYS 167.A N THR 165.A OG1 no hydrogen 2.890 N/A ARG 171.A NH1 ILE 163.A O no hydrogen 2.997 N/A ARG 171.A NH2 ILE 163.A O no hydrogen 2.593 N/A MET 172.A N ILE 187.A O no hydrogen 2.689 N/A LYS 175.A N SER 185.A O no hydrogen 2.882 N/A LYS 175.A NZ THR 237.A OG1 no hydrogen 3.351 N/A LYS 175.A NZ TYR 239.A O no hydrogen 2.435 N/A ILE 176.A N ASP 126.A OD1 no hydrogen 2.564 N/A CYS 177.A N PHE 183.A O no hydrogen 2.909 N/A ALA 182.A N ASP 180.A OD1 no hydrogen 3.324 N/A PHE 183.A N ASP 180.A O no hydrogen 3.022 N/A PHE 184.A N ALA 195.A O no hydrogen 3.027 N/A SER 185.A N LYS 175.A O no hydrogen 2.899 N/A SER 185.A OG TRP 193.A O no hydrogen 2.671 N/A PHE 186.A N TRP 193.A O no hydrogen 3.018 N/A ILE 187.A N MET 172.A O no hydrogen 2.631 N/A ASN 188.A N ASP 191.A O no hydrogen 2.904 N/A ASN 188.A ND2 PRO 170.A O no hydrogen 3.327 N/A ASP 191.A N ASN 188.A O no hydrogen 3.088 N/A TRP 193.A N PHE 186.A O no hydrogen 2.826 N/A VAL 194.A N ARG 203.A O no hydrogen 2.901 N/A ALA 195.A N PHE 184.A O no hydrogen 2.848 N/A ILE 197.A N ALA 182.A O no hydrogen 2.782 N/A THR 199.A N ASN 196.A OD1 no hydrogen 2.924 N/A GLY 200.A N ASN 196.A O no hydrogen 2.758 N/A GLU 201.A N THR 199.A OG1 no hydrogen 3.132 N/A ARG 203.A NH1 VAL 314.A O no hydrogen 3.457 N/A ARG 204.A NE THR 206.A O no hydrogen 3.005 N/A ARG 204.A NH2 HIS 209.A O no hydrogen 2.521 N/A LEU 205.A N LEU 192.A O no hydrogen 2.887 N/A CYS 208.A SG ASP 191.A OD1 no hydrogen 3.376 N/A CYS 208.A SG LYS 220.A O no hydrogen 3.372 N/A HIS 209.A ND1 LYS 220.A O no hydrogen 3.045 N/A GLN 210.A N ASP 218.A OD1 no hydrogen 2.852 N/A GLY 211.A N ASP 218.A OD1 no hydrogen 3.052 N/A SER 213.A OG ASN 214.A O no hydrogen 3.362 N/A ASP 217.A N ASN 214.A O no hydrogen 3.166 N/A SER 221.A N VAL 263.A O no hydrogen 3.124 N/A SER 221.A OG GLU 265.A OE2 no hydrogen 3.157 N/A ALA 222.A N SER 190.A O no hydrogen 3.144 N/A GLY 223.A N GLU 261.A O no hydrogen 3.335 N/A GLN 230.A N THR 226.A O no hydrogen 2.762 N/A GLU 231.A N PHE 227.A O no hydrogen 2.613 N/A GLU 232.A N VAL 228.A O no hydrogen 2.905 N/A ARG 235.A N ILE 229.A O no hydrogen 3.380 N/A ARG 235.A NE THR 237.A O no hydrogen 2.813 N/A ARG 235.A NH1 ILE 335.A O no hydrogen 2.299 N/A ARG 235.A NH1 ALA 336.A O no hydrogen 2.665 N/A GLY 238.A N GLY 223.A O no hydrogen 3.227 N/A TYR 239.A OH ASP 173.A O no hydrogen 2.364 N/A TRP 240.A N LEU 259.A O no hydrogen 2.780 N/A TRP 241.A NE1 LYS 175.A O no hydrogen 3.158 N/A CYS 242.A N ARG 257.A O no hydrogen 2.971 N/A CYS 242.A SG THR 244.A O no hydrogen 3.563 N/A THR 244.A OG1 ASP 343.A O no hydrogen 2.855 N/A SER 246.A N THR 255.A O no hydrogen 3.326 N/A GLU 248.A N LEU 253.A O no hydrogen 3.399 N/A SER 250.A OG GLU 251.A OE1 no hydrogen 3.254 N/A LYS 254.A N THR 307.A O no hydrogen 3.192 N/A LYS 254.A NZ ASP 180.A OD2 no hydrogen 2.386 N/A THR 255.A N SER 246.A O no hydrogen 2.580 N/A LEU 256.A N PHE 305.A O no hydrogen 2.902 N/A ILE 258.A N ALA 303.A O no hydrogen 3.043 N/A LEU 259.A N TRP 240.A O no hydrogen 2.900 N/A TYR 260.A N LYS 301.A O no hydrogen 2.801 N/A GLU 261.A N GLY 238.A O no hydrogen 2.888 N/A GLU 262.A N ALA 299.A O no hydrogen 2.819 N/A VAL 263.A N SER 221.A O no hydrogen 3.249 N/A ASP 264.A N LYS 297.A O no hydrogen 2.839 N/A GLU 265.A N PRO 219.A O no hydrogen 3.388 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.653 N/A ILE 271.A N TYR 286.A O no hydrogen 2.909 N/A VAL 273.A N ASP 284.A O no hydrogen 3.015 N/A SER 275.A N LYS 282.A O no hydrogen 3.235 N/A SER 275.A OG ALA 277.A O no hydrogen 3.453 N/A SER 275.A OG LYS 282.A O no hydrogen 3.165 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.778 N/A GLU 280.A N ALA 277.A O no hydrogen 3.182 N/A ARG 281.A N LEU 278.A O no hydrogen 3.101 N/A ASP 284.A N VAL 273.A O no hydrogen 2.805 N/A SER 285.A OG HIS 272.A NE2 no hydrogen 3.312 N/A TYR 286.A N ILE 271.A O no hydrogen 2.831 N/A ARG 287.A NE VAL 215.A O no hydrogen 3.229 N/A ARG 287.A NH1 SER 266.A O no hydrogen 2.970 N/A ARG 287.A NH1 VAL 268.A O no hydrogen 2.540 N/A ARG 287.A NH2 VAL 215.A O no hydrogen 2.659 N/A TYR 288.A N TYR 286.A O no hydrogen 2.900 N/A ARG 290.A NE GLU 269.A OE1 no hydrogen 2.679 N/A ARG 290.A NE GLU 269.A OE2 no hydrogen 3.476 N/A ARG 290.A NH1 MET 743.A O no hydrogen 3.511 N/A ARG 290.A NH2 GLU 269.A OE2 no hydrogen 3.240 N/A THR 291.A N TYR 745.A O no hydrogen 2.992 N/A THR 291.A OG1 MET 743.A O no hydrogen 3.153 N/A GLY 292.A N GLU 751.A OE2 no hydrogen 3.387 N/A ASN 295.A ND2 GLU 333.A OE2 no hydrogen 3.531 N/A LYS 297.A N ASP 264.A O no hydrogen 3.320 N/A LYS 301.A N TYR 260.A O no hydrogen 2.888 N/A LEU 302.A N LYS 319.A O no hydrogen 2.951 N/A ALA 303.A N ILE 258.A O no hydrogen 2.732 N/A GLU 304.A N GLN 317.A O no hydrogen 2.917 N/A THR 307.A OG1 ASP 308.A O no hydrogen 3.319 N/A ASP 308.A N LYS 312.A O no hydrogen 3.419 N/A GLN 310.A N GLN 310.A OE1 no hydrogen 2.725 N/A GLY 311.A N ASP 308.A O no hydrogen 2.798 N/A LYS 312.A N ASP 308.A OD1 no hydrogen 2.407 N/A THR 316.A OG1 SER 315.A O no hydrogen 2.700 N/A GLN 317.A N GLU 304.A O no hydrogen 2.935 N/A LYS 319.A N LEU 302.A O no hydrogen 2.743 N/A LYS 319.A NZ PHE 369.A O no hydrogen 2.840 N/A GLU 320.A N ILE 370.A O no hydrogen 2.765 N/A GLN 323.A NE2 TRP 451.A O no hydrogen 2.821 N/A SER 327.A OG PRO 324.A O no hydrogen 2.963 N/A LEU 328.A N PRO 324.A O no hydrogen 2.882 N/A PHE 329.A N PHE 325.A O no hydrogen 2.867 N/A GLU 333.A N LEU 352.A O no hydrogen 2.652 N/A TYR 334.A N LEU 352.A O no hydrogen 3.264 N/A ALA 336.A N MET 350.A O no hydrogen 3.004 N/A ARG 337.A NH1 PHE 233.A O no hydrogen 2.462 N/A GLY 339.A N TRP 348.A O no hydrogen 2.922 N/A TRP 340.A NE1 TRP 240.A O no hydrogen 3.037 N/A THR 341.A N TYR 346.A O no hydrogen 2.920 N/A THR 341.A OG1 ASP 343.A OD1 no hydrogen 3.044 N/A THR 341.A OG1 TYR 346.A O no hydrogen 2.975 N/A ARG 342.A NH1 GLU 491.A OE2 no hydrogen 2.358 N/A GLY 344.A N THR 341.A O no hydrogen 3.016 N/A LYS 345.A N ASP 343.A OD1 no hydrogen 3.384 N/A LYS 345.A NZ GLN 415.A OE1 no hydrogen 3.001 N/A TYR 346.A N THR 341.A OG1 no hydrogen 3.130 N/A ALA 347.A N LEU 364.A O no hydrogen 2.956 N/A ALA 349.A N VAL 362.A O no hydrogen 2.932 N/A MET 350.A N ARG 337.A O no hydrogen 2.856 N/A PHE 351.A N GLN 360.A O no hydrogen 2.874 N/A ASP 353.A N TRP 358.A O no hydrogen 3.049 N/A ARG 354.A NH1 GLU 333.A OE2 no hydrogen 3.282 N/A ARG 354.A NH2 SER 293.A O no hydrogen 2.463 N/A GLN 356.A N ASP 353.A O no hydrogen 2.817 N/A GLN 356.A NE2 GLY 748.A O no hydrogen 3.064 N/A GLN 357.A N ASP 353.A OD1 no hydrogen 2.912 N/A GLN 357.A NE2 VAL 402.A O no hydrogen 2.995 N/A TRP 358.A NE1 GLU 397.A OE2 no hydrogen 2.982 N/A LEU 359.A N GLU 398.A O no hydrogen 2.906 N/A GLN 360.A N PHE 351.A O no hydrogen 2.962 N/A LEU 361.A N TYR 396.A O no hydrogen 2.871 N/A VAL 362.A N ALA 349.A O no hydrogen 2.892 N/A LEU 363.A N TYR 393.A O no hydrogen 3.019 N/A LEU 364.A N ALA 347.A O no hydrogen 2.797 N/A LEU 368.A N PRO 365.A O no hydrogen 2.829 N/A PHE 369.A N PRO 366.A O no hydrogen 2.985 N/A SER 372.A OG GLU 318.A O no hydrogen 3.321 N/A THR 373.A OG1 ASN 375.A OD1 no hydrogen 2.978 N/A THR 373.A OG1 GLN 378.A OE1 no hydrogen 3.364 N/A GLU 374.A N GLU 374.A OE1 no hydrogen 2.794 N/A ASN 375.A ND2 GLN 378.A OE1 no hydrogen 3.551 N/A ARG 379.A N ASN 375.A O no hydrogen 3.333 N/A LEU 380.A N GLU 376.A O no hydrogen 3.035 N/A ALA 381.A N GLU 377.A O no hydrogen 2.853 N/A SER 382.A N GLN 378.A O no hydrogen 3.021 N/A SER 382.A OG GLN 378.A O no hydrogen 3.527 N/A ALA 383.A N ARG 379.A O no hydrogen 2.869 N/A ARG 384.A N LEU 380.A O no hydrogen 2.781 N/A ARG 384.A NE SER 452.A OG no hydrogen 2.897 N/A ALA 385.A N ALA 381.A O no hydrogen 2.974 N/A VAL 390.A N ASN 389.A OD1 no hydrogen 2.531 N/A GLN 391.A NE2 LYS 445.A O no hydrogen 3.539 N/A TYR 393.A N LEU 363.A O no hydrogen 3.275 N/A TYR 393.A OH SER 446.A OG no hydrogen 2.863 N/A VAL 394.A N PHE 462.A O no hydrogen 2.976 N/A VAL 395.A N LEU 361.A O no hydrogen 3.066 N/A TYR 396.A OH GLU 469.A OE1 no hydrogen 2.950 N/A GLU 398.A N LEU 359.A O no hydrogen 2.820 N/A THR 400.A N GLN 357.A O no hydrogen 2.969 N/A VAL 402.A N THR 400.A OG1 no hydrogen 3.123 N/A ILE 404.A N GLN 356.A O no hydrogen 2.969 N/A ASN 405.A ND2 GLU 429.A OE1 no hydrogen 2.754 N/A ASN 405.A ND2 GLU 429.A OE2 no hydrogen 3.455 N/A ASN 405.A ND2 GLU 673.A OE1 no hydrogen 3.140 N/A HIS 407.A NE2 GLU 429.A OE1 no hydrogen 3.190 N/A TYR 411.A OH GLU 491.A OE2 no hydrogen 2.712 N/A PHE 413.A N CYS 423.A O no hydrogen 2.660 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.793 N/A ASP 420.A N GLY 418.A O no hydrogen 2.500 N/A CYS 423.A SG VAL 440.A O no hydrogen 4.020 N/A PHE 424.A N VAL 440.A O no hydrogen 2.905 N/A LEU 425.A N TYR 411.A O no hydrogen 3.339 N/A ARG 426.A N TYR 438.A O no hydrogen 2.933 N/A ARG 426.A NE GLU 398.A OE1 no hydrogen 2.941 N/A ARG 426.A NH1 HIS 407.A O no hydrogen 2.567 N/A ARG 426.A NH1 ILE 409.A O no hydrogen 2.583 N/A ARG 426.A NH2 GLU 398.A OE1 no hydrogen 3.242 N/A ARG 426.A NH2 HIS 407.A O no hydrogen 3.100 N/A ASN 428.A N HIS 436.A O no hydrogen 2.913 N/A ASN 428.A ND2 TYR 396.A OH no hydrogen 2.744 N/A CYS 430.A SG GLU 398.A OE2 no hydrogen 3.774 N/A LYS 431.A N ASN 428.A OD1 no hydrogen 2.831 N/A LYS 431.A NZ GLU 469.A OE1 no hydrogen 2.979 N/A LYS 431.A NZ GLU 469.A OE2 no hydrogen 2.997 N/A THR 432.A OG1 PHE 434.A O no hydrogen 3.474 N/A GLY 433.A N GLU 429.A O no hydrogen 2.902 N/A PHE 434.A N THR 432.A OG1 no hydrogen 3.303 N/A CYS 435.A N GLU 478.A OE2 no hydrogen 3.331 N/A CYS 435.A SG VAL 479.A O no hydrogen 3.290 N/A HIS 436.A N ASN 428.A O no hydrogen 3.504 N/A HIS 436.A ND1 THR 473.A OG1 no hydrogen 2.682 N/A HIS 436.A NE2 GLY 475.A O no hydrogen 3.064 N/A LEU 437.A N THR 473.A OG1 no hydrogen 3.331 N/A TYR 438.A N ARG 426.A O no hydrogen 2.944 N/A LYS 439.A N ILE 470.A O no hydrogen 2.886 N/A LYS 439.A NZ TYR 515.A O no hydrogen 3.466 N/A VAL 440.A N PHE 424.A O no hydrogen 2.873 N/A THR 441.A N GLU 468.A O no hydrogen 2.853 N/A THR 441.A OG1 GLU 468.A OE2 no hydrogen 2.776 N/A ALA 442.A N LEU 422.A O no hydrogen 2.989 N/A VAL 443.A N PRO 465.A O no hydrogen 2.942 N/A SER 446.A OG ASN 389.A O no hydrogen 2.656 N/A GLN 447.A N GLN 391.A OE1 no hydrogen 3.397 N/A TYR 449.A N ARG 388.A O no hydrogen 3.406 N/A TYR 449.A OH GLU 461.A OE2 no hydrogen 2.211 N/A TRP 451.A NE1 VAL 390.A O no hydrogen 2.837 N/A SER 456.A OG PRO 457.A O no hydrogen 2.965 N/A GLY 458.A N GLU 461.A OE1 no hydrogen 2.832 N/A CYS 464.A N VAL 394.A O no hydrogen 2.970 N/A CYS 464.A SG VAL 394.A O no hydrogen 3.268 N/A CYS 464.A SG PHE 462.A O no hydrogen 3.750 N/A LYS 467.A N THR 441.A O no hydrogen 2.518 N/A LYS 467.A NZ GLU 421.A OE2 no hydrogen 3.424 N/A GLU 468.A N THR 441.A O no hydrogen 3.076 N/A ILE 470.A N GLU 468.A OE1 no hydrogen 2.857 N/A LEU 472.A N LEU 437.A O no hydrogen 3.034 N/A THR 473.A OG1 HIS 436.A ND1 no hydrogen 2.682 N/A GLU 478.A N THR 501.A OG1 no hydrogen 2.791 N/A VAL 479.A N CYS 435.A O no hydrogen 2.750 N/A LEU 480.A N GLN 499.A O no hydrogen 2.857 N/A SER 485.A N ARG 482.A O no hydrogen 3.088 N/A TRP 488.A N TYR 497.A O no hydrogen 2.867 N/A GLU 492.A N ASN 490.A OD1 no hydrogen 3.087 N/A LEU 495.A N ASN 490.A O no hydrogen 2.943 N/A VAL 496.A N VAL 513.A O no hydrogen 2.826 N/A TYR 497.A N TRP 488.A O no hydrogen 2.840 N/A PHE 498.A N TYR 511.A O no hydrogen 2.876 N/A GLN 499.A NE2 HIS 531.A O no hydrogen 2.643 N/A GLY 500.A N HIS 509.A O no hydrogen 2.834 N/A THR 501.A N GLU 478.A O no hydrogen 2.958 N/A THR 501.A OG1 GLU 478.A O no hydrogen 3.293 N/A ASP 503.A N TYR 511.A OH no hydrogen 2.855 N/A LEU 506.A N THR 504.A OG1 no hydrogen 3.330 N/A HIS 508.A N SER 530.A OG no hydrogen 2.797 N/A HIS 509.A N GLY 500.A O no hydrogen 2.902 N/A HIS 509.A ND1 THR 525.A OG1 no hydrogen 3.019 N/A HIS 509.A NE2 GLU 507.A OE1 no hydrogen 2.860 N/A LEU 510.A N THR 525.A OG1 no hydrogen 3.079 N/A TYR 511.A N PHE 498.A O no hydrogen 2.804 N/A TYR 511.A OH ASP 503.A OD1 no hydrogen 2.737 N/A VAL 512.A N VAL 522.A O no hydrogen 2.858 N/A VAL 513.A N VAL 496.A O no hydrogen 3.057 N/A SER 514.A OG LYS 494.A O no hydrogen 3.567 N/A TYR 515.A N LYS 494.A O no hydrogen 3.009 N/A GLU 516.A N SER 514.A OG no hydrogen 3.046 N/A ALA 517.A N SER 514.A OG no hydrogen 3.223 N/A GLY 519.A N ALA 517.A O no hydrogen 2.870 N/A VAL 522.A N VAL 512.A O no hydrogen 2.718 N/A ARG 523.A NH1 THR 525.A O no hydrogen 2.921 N/A LEU 524.A N LEU 510.A O no hydrogen 2.868 N/A THR 525.A OG1 HIS 509.A ND1 no hydrogen 3.019 N/A SER 530.A N SER 547.A O no hydrogen 2.795 N/A HIS 531.A N HIS 508.A O no hydrogen 2.670 N/A HIS 531.A NE2 THR 526.A O no hydrogen 2.706 N/A SER 532.A N HIS 545.A O no hydrogen 2.863 N/A CYS 533.A N GLN 499.A OE1 no hydrogen 3.143 N/A SER 534.A N VAL 543.A O no hydrogen 2.977 N/A SER 536.A N MET 541.A O no hydrogen 2.950 N/A SER 536.A OG ASN 538.A OD1 no hydrogen 2.327 N/A ASN 538.A ND2 GLN 43.A OE1 no hydrogen 2.678 N/A PHE 539.A N SER 536.A O no hydrogen 3.005 N/A PHE 542.A N TYR 558.A O no hydrogen 2.955 N/A VAL 543.A N SER 534.A O no hydrogen 2.920 N/A SER 544.A N HIS 556.A O no hydrogen 2.897 N/A HIS 545.A N SER 532.A O no hydrogen 2.828 N/A TYR 546.A N CYS 554.A O no hydrogen 2.869 N/A TYR 546.A OH TYR 558.A OH no hydrogen 3.273 N/A SER 547.A N SER 530.A O no hydrogen 2.977 N/A SER 547.A OG SER 638.A OG no hydrogen 3.085 N/A SER 548.A N THR 551.A O no hydrogen 3.163 N/A SER 548.A OG ASN 637.A OD1 no hydrogen 2.924 N/A VAL 549.A N ASN 637.A OD1 no hydrogen 2.821 N/A CYS 554.A N TYR 546.A O no hydrogen 2.870 N/A CYS 554.A SG TYR 546.A O no hydrogen 3.675 N/A VAL 555.A N MET 579.A O no hydrogen 2.941 N/A HIS 556.A N SER 544.A O no hydrogen 2.961 N/A HIS 556.A NE2 GLU 580.A OE2 no hydrogen 3.116 N/A VAL 557.A N ALA 576.A O no hydrogen 2.522 N/A TYR 558.A N PHE 542.A O no hydrogen 2.882 N/A TYR 558.A OH TYR 546.A OH no hydrogen 3.273 N/A LYS 559.A N ARG 573.A O no hydrogen 2.898 N/A SER 561.A N GLN 571.A O no hydrogen 3.130 N/A SER 561.A OG GLN 571.A O no hydrogen 3.030 N/A HIS 569.A ND1 ASP 566.A OD1 no hydrogen 3.287 N/A HIS 569.A ND1 ASP 566.A OD2 no hydrogen 2.680 N/A LYS 570.A N PRO 567.A O no hydrogen 3.504 N/A GLN 571.A N SER 561.A O no hydrogen 2.841 N/A ARG 573.A N LYS 559.A O no hydrogen 2.932 N/A ARG 573.A NE SER 561.A OG no hydrogen 2.681 N/A ARG 573.A NH2 SER 561.A OG no hydrogen 3.103 N/A TRP 575.A N VAL 557.A O no hydrogen 2.931 N/A ALA 576.A N VAL 557.A O no hydrogen 3.137 N/A SER 577.A N LEU 84.A O no hydrogen 2.898 N/A SER 577.A OG MET 579.A O no hydrogen 3.321 N/A SER 577.A OG GLU 580.A OE2 no hydrogen 2.300 N/A MET 578.A N VAL 555.A O no hydrogen 2.528 N/A MET 579.A N VAL 555.A O no hydrogen 3.271 N/A VAL 589.A N ASN 648.A OD1 no hydrogen 3.171 N/A GLU 592.A N ILE 608.A O no hydrogen 2.836 N/A PHE 594.A N GLY 606.A O no hydrogen 2.890 N/A PHE 596.A N LEU 604.A O no hydrogen 2.914 N/A THR 598.A N VAL 602.A O no hydrogen 2.973 N/A THR 598.A OG1 VAL 602.A O no hydrogen 3.334 N/A ARG 599.A N GLU 690.A OE1 no hydrogen 3.224 N/A ASP 601.A N THR 598.A O no hydrogen 2.750 N/A ARG 603.A NH1 TYR 605.A OH no hydrogen 3.526 N/A LEU 604.A N PHE 596.A O no hydrogen 2.894 N/A GLY 606.A N PHE 594.A O no hydrogen 2.941 N/A MET 607.A N VAL 659.A O no hydrogen 2.774 N/A ILE 608.A N GLU 592.A O no hydrogen 2.957 N/A TYR 609.A N VAL 657.A O no hydrogen 2.794 N/A LYS 610.A NZ GLU 592.A OE1 no hydrogen 3.378 N/A HIS 612.A N ALA 651.A O no hydrogen 2.978 N/A HIS 612.A NE2 ASP 587.A O no hydrogen 2.579 N/A LYS 618.A N GLN 615.A O no hydrogen 3.200 N/A LYS 618.A NZ ALA 4.A O no hydrogen 3.415 N/A LYS 619.A N ALA 5.A O no hydrogen 2.960 N/A HIS 620.A N PHE 701.A O no hydrogen 2.560 N/A HIS 620.A ND1 GLY 654.A O no hydrogen 2.914 N/A THR 622.A N ARG 706.A O no hydrogen 3.000 N/A THR 622.A OG1 ALA 656.A O no hydrogen 3.060 N/A VAL 623.A N ALA 656.A O no hydrogen 2.761 N/A LEU 624.A N ALA 708.A O no hydrogen 2.750 N/A VAL 626.A N HIS 710.A O no hydrogen 2.853 N/A GLN 633.A NE2 PRO 505.A O no hydrogen 3.228 N/A LEU 634.A N ASP 661.A OD1 no hydrogen 3.309 N/A VAL 635.A N ASP 661.A OD1 no hydrogen 3.494 N/A VAL 635.A N ASP 661.A OD2 no hydrogen 3.198 N/A ASN 636.A ND2 GLN 633.A OE1 no hydrogen 3.258 N/A ASN 637.A N LEU 506.A O no hydrogen 2.561 N/A ASN 637.A ND2 GLU 507.A OE2 no hydrogen 2.642 N/A ASN 637.A ND2 GLY 528.A O no hydrogen 3.043 N/A SER 638.A OG SER 547.A OG no hydrogen 3.085 N/A LYS 640.A NZ LEU 634.A O no hydrogen 2.427 N/A LYS 640.A NZ ASN 636.A OD1 no hydrogen 2.656 N/A TYR 644.A N LYS 640.A O no hydrogen 2.737 N/A ARG 646.A NH1 LYS 643.A O no hydrogen 2.986 N/A ASN 648.A ND2 ASP 587.A O no hydrogen 3.267 N/A THR 649.A N LEU 645.A O no hydrogen 2.909 N/A THR 649.A OG1 LEU 645.A O no hydrogen 2.784 N/A LEU 650.A N ARG 646.A O no hydrogen 2.875 N/A ALA 651.A N LEU 647.A O no hydrogen 3.000 N/A SER 652.A N ASN 648.A O no hydrogen 2.801 N/A LEU 653.A N THR 649.A O no hydrogen 2.972 N/A LEU 653.A N LEU 650.A O no hydrogen 3.092 N/A GLY 654.A N ALA 651.A O no hydrogen 2.894 N/A TYR 655.A N LEU 650.A O no hydrogen 2.842 N/A ALA 656.A N PRO 621.A O no hydrogen 3.058 N/A VAL 657.A N TYR 609.A O no hydrogen 3.032 N/A VAL 658.A N VAL 623.A O no hydrogen 3.181 N/A VAL 659.A N MET 607.A O no hydrogen 2.987 N/A ASP 661.A N TYR 605.A O no hydrogen 2.930 N/A ARG 663.A N ASP 687.A OD1 no hydrogen 2.610 N/A ARG 663.A NE ASP 687.A OD1 no hydrogen 2.772 N/A ARG 663.A NE ASP 687.A OD2 no hydrogen 3.129 N/A ARG 663.A NH2 ASP 687.A OD2 no hydrogen 2.976 N/A SER 665.A OG GLY 662.A O no hydrogen 2.757 N/A CYS 666.A N VAL 632.A O no hydrogen 3.283 N/A LEU 670.A N GLY 433.A O no hydrogen 2.555 N/A ARG 671.A NH1 THR 432.A O no hydrogen 2.556 N/A GLU 673.A N GLY 669.A O no hydrogen 3.017 N/A GLY 674.A N LEU 670.A O no hydrogen 2.726 N/A ALA 675.A N PHE 672.A O no hydrogen 3.430 N/A LYS 677.A N GLY 674.A O no hydrogen 3.145 N/A LYS 677.A NZ ASN 678.A OD1 no hydrogen 3.185 N/A ASN 678.A N TYR 753.A O no hydrogen 3.212 N/A GLN 679.A N LEU 676.A O no hydrogen 3.367 N/A GLN 679.A NE2 ALA 675.A O no hydrogen 3.095 N/A GLY 681.A N GLU 684.A OE1 no hydrogen 2.784 N/A GLN 682.A N GLN 679.A O no hydrogen 3.237 N/A GLU 684.A N GLU 684.A OE1 no hydrogen 2.780 N/A ASP 687.A N VAL 683.A O no hydrogen 3.007 N/A GLN 688.A N GLU 684.A O no hydrogen 2.922 N/A GLN 688.A NE2 ILE 660.A O no hydrogen 2.867 N/A VAL 689.A N ILE 685.A O no hydrogen 2.890 N/A GLU 690.A N GLU 686.A O no hydrogen 2.960 N/A GLY 691.A N ASP 687.A O no hydrogen 2.879 N/A LEU 692.A N GLN 688.A O no hydrogen 2.895 N/A GLN 693.A N VAL 689.A O no hydrogen 2.864 N/A PHE 694.A N GLU 690.A O no hydrogen 2.883 N/A VAL 695.A N GLY 691.A O no hydrogen 2.986 N/A ALA 696.A N LEU 692.A O no hydrogen 2.817 N/A GLU 697.A N GLN 693.A O no hydrogen 3.007 N/A LYS 698.A N PHE 694.A O no hydrogen 2.820 N/A LYS 698.A NZ TYR 699.A OH no hydrogen 2.684 N/A TYR 699.A N VAL 695.A O no hydrogen 2.712 N/A TYR 699.A OH GLU 592.A OE2 no hydrogen 2.442 N/A ASP 703.A N HIS 620.A O no hydrogen 2.966 N/A SER 705.A N ASP 703.A OD1 no hydrogen 3.338 N/A SER 705.A OG ASP 703.A OD1 no hydrogen 2.509 N/A SER 705.A OG ASP 703.A OD2 no hydrogen 3.135 N/A ARG 706.A N ASP 703.A O no hydrogen 3.166 N/A ARG 706.A NE ASP 703.A OD2 no hydrogen 2.516 N/A ARG 706.A NH1 PHE 7.A O no hydrogen 2.569 N/A ARG 706.A NH2 PHE 7.A O no hydrogen 2.852 N/A ARG 706.A NH2 ASP 703.A OD2 no hydrogen 3.232 N/A ALA 708.A N THR 622.A O no hydrogen 2.830 N/A ILE 709.A N VAL 732.A O no hydrogen 2.993 N/A HIS 710.A N LEU 624.A O no hydrogen 3.003 N/A HIS 710.A ND1 ILE 734.A O no hydrogen 2.837 N/A HIS 710.A NE2 TYR 834.A OH no hydrogen 2.661 N/A TYR 714.A OH GLU 684.A OE2 no hydrogen 2.738 N/A GLY 715.A N TRP 712.A O no hydrogen 2.603 N/A LEU 718.A N TYR 714.A O no hydrogen 3.011 N/A SER 719.A N GLY 715.A O no hydrogen 2.807 N/A SER 719.A OG GLY 715.A O no hydrogen 2.618 N/A LEU 720.A N GLY 716.A O no hydrogen 2.949 N/A MET 721.A N PHE 717.A O no hydrogen 2.952 N/A GLY 722.A N LEU 718.A O no hydrogen 2.721 N/A LEU 723.A N SER 719.A O no hydrogen 2.981 N/A ILE 724.A N LEU 720.A O no hydrogen 2.984 N/A HIS 725.A N MET 721.A O no hydrogen 2.983 N/A LYS 726.A N GLY 722.A O no hydrogen 2.928 N/A LYS 726.A NZ GLU 686.A OE1 no hydrogen 2.694 N/A LYS 726.A NZ HIS 725.A O no hydrogen 3.505 N/A VAL 729.A N LYS 726.A O no hydrogen 3.165 N/A PHE 730.A N LYS 726.A O no hydrogen 2.938 N/A LYS 731.A N VAL 707.A O no hydrogen 2.447 N/A VAL 732.A N VAL 707.A O no hydrogen 3.036 N/A ILE 734.A N ILE 709.A O no hydrogen 2.919 N/A ALA 735.A N LEU 784.A O no hydrogen 2.748 N/A GLY 736.A N GLY 711.A O no hydrogen 3.114 N/A ALA 737.A N LEU 786.A O no hydrogen 2.727 N/A THR 740.A OG1 HIS 798.A O no hydrogen 2.594 N/A TRP 742.A N SER 768.A OG no hydrogen 3.292 N/A ALA 744.A N VAL 741.A O no hydrogen 3.413 N/A TYR 745.A N TRP 742.A O no hydrogen 2.927 N/A TYR 745.A OH ASN 793.A OD1 no hydrogen 2.944 N/A THR 747.A N PRO 289.A O no hydrogen 3.328 N/A THR 747.A OG1 ASN 295.A OD1 no hydrogen 2.418 N/A TYR 749.A N ASP 746.A OD1 no hydrogen 3.376 N/A THR 750.A N ASP 746.A O no hydrogen 3.385 N/A THR 750.A OG1 ASP 746.A O no hydrogen 3.087 N/A GLU 751.A N THR 747.A O no hydrogen 2.816 N/A ARG 752.A NH1 GLN 356.A OE1 no hydrogen 2.973 N/A ARG 752.A NH2 GLU 232.A O no hydrogen 3.459 N/A ARG 752.A NH2 GLN 631.A OE1 no hydrogen 2.915 N/A TYR 753.A N TYR 749.A O no hydrogen 3.278 N/A TYR 753.A OH GLN 631.A OE1 no hydrogen 2.893 N/A MET 754.A N THR 750.A O no hydrogen 2.303 N/A ASP 755.A N GLU 751.A O no hydrogen 3.150 N/A ASN 759.A N VAL 756.A O no hydrogen 2.982 N/A ASN 759.A ND2 ASP 755.A OD2 no hydrogen 3.567 N/A ASN 760.A N VAL 756.A O no hydrogen 3.190 N/A ASN 760.A ND2 ASN 678.A O no hydrogen 3.297 N/A ASN 760.A ND2 MET 754.A O no hydrogen 2.924 N/A GLN 761.A N GLN 761.A OE1 no hydrogen 3.005 N/A GLY 763.A N ASN 760.A OD1 no hydrogen 3.069 N/A TYR 764.A N ASN 760.A O no hydrogen 2.995 N/A TYR 764.A OH ASP 755.A O no hydrogen 2.367 N/A GLU 765.A N GLN 761.A O no hydrogen 2.984 N/A ALA 766.A N HIS 762.A O no hydrogen 2.937 N/A GLY 767.A N GLY 763.A O no hydrogen 3.072 N/A SER 768.A N GLU 765.A O no hydrogen 3.446 N/A SER 768.A OG TYR 764.A O no hydrogen 2.734 N/A ALA 770.A N THR 740.A O no hydrogen 2.996 N/A LEU 771.A N SER 768.A O no hydrogen 3.241 N/A HIS 772.A N VAL 769.A O no hydrogen 3.334 N/A HIS 772.A NE2 GLU 765.A O no hydrogen 2.613 N/A GLU 774.A N GLU 774.A OE1 no hydrogen 2.697 N/A LYS 775.A N HIS 772.A O no hydrogen 3.194 N/A LEU 776.A N VAL 773.A O no hydrogen 2.915 N/A LEU 784.A N ALA 733.A O no hydrogen 3.004 N/A ILE 785.A N GLN 814.A O no hydrogen 2.880 N/A LEU 786.A N ALA 735.A O no hydrogen 2.780 N/A HIS 787.A N GLN 816.A O no hydrogen 3.034 N/A HIS 787.A NE2 VAL 794.A O no hydrogen 2.913 N/A PHE 789.A N TYR 818.A O no hydrogen 2.840 N/A LEU 790.A N GLU 821.A O no hydrogen 3.450 N/A ASP 791.A N GLY 788.A O no hydrogen 3.243 N/A GLU 792.A N GLU 792.A OE1 no hydrogen 2.098 N/A ASN 793.A N ASP 791.A OD1 no hydrogen 2.954 N/A VAL 794.A N ASP 791.A OD1 no hydrogen 2.847 N/A HIS 798.A N HIS 795.A O no hydrogen 3.000 N/A HIS 798.A ND1 HIS 795.A O no hydrogen 3.081 N/A THR 799.A OG1 HIS 787.A ND1 no hydrogen 2.619 N/A ASN 800.A N PHE 796.A O no hydrogen 2.828 N/A PHE 801.A N PHE 797.A O no hydrogen 2.689 N/A LEU 802.A N HIS 798.A O no hydrogen 2.960 N/A VAL 803.A N THR 799.A O no hydrogen 2.858 N/A SER 804.A N ASN 800.A O no hydrogen 2.868 N/A GLN 805.A N PHE 801.A O no hydrogen 2.948 N/A LEU 806.A N LEU 802.A O no hydrogen 2.822 N/A ILE 807.A N VAL 803.A O no hydrogen 2.905 N/A ARG 808.A N SER 804.A O no hydrogen 2.945 N/A ARG 808.A NE GLN 805.A OE1 no hydrogen 3.364 N/A ARG 808.A NH2 GLN 805.A OE1 no hydrogen 3.097 N/A ALA 809.A N GLN 805.A O no hydrogen 2.885 N/A GLY 810.A N ILE 807.A O no hydrogen 3.183 N/A LYS 811.A N LEU 806.A O no hydrogen 2.825 N/A LYS 811.A NZ VAL 773.A O no hydrogen 2.863 N/A LYS 811.A NZ GLU 774.A O no hydrogen 2.804 N/A LYS 811.A NZ LEU 776.A O no hydrogen 2.660 N/A LYS 811.A NZ ASN 778.A OD1 no hydrogen 3.408 N/A GLN 814.A N LEU 783.A O no hydrogen 2.912 N/A GLN 814.A NE2 ASN 781.A OD1 no hydrogen 3.244 N/A GLN 816.A N ILE 785.A O no hydrogen 2.867 N/A GLN 816.A NE2 LEU 815.A O no hydrogen 2.920 N/A TYR 818.A N HIS 787.A O no hydrogen 2.889 N/A GLU 821.A N TYR 818.A O no hydrogen 3.287 N/A HIS 823.A ND1 ASP 791.A OD1 no hydrogen 3.230 N/A HIS 823.A ND1 ASP 791.A OD2 no hydrogen 2.883 N/A ARG 826.A N GLU 821.A OE2 no hydrogen 2.528 N/A ARG 826.A NE GLU 113.A OE2 no hydrogen 2.433 N/A ARG 826.A NH2 GLU 113.A OE2 no hydrogen 3.016 N/A CYS 827.A N GLU 821.A OE2 no hydrogen 3.033 N/A GLY 831.A N CYS 827.A O no hydrogen 2.877 N/A GLU 832.A N PRO 828.A O no hydrogen 2.852 N/A HIS 833.A N GLU 829.A O no hydrogen 2.940 N/A TYR 834.A N SER 830.A O no hydrogen 2.868 N/A TYR 834.A OH HIS 710.A NE2 no hydrogen 2.661 N/A GLU 835.A N GLY 831.A O no hydrogen 2.936 N/A VAL 836.A N GLU 832.A O no hydrogen 2.937 N/A THR 837.A N HIS 833.A O no hydrogen 2.860 N/A THR 837.A OG1 HIS 833.A O no hydrogen 2.667 N/A LEU 838.A N TYR 834.A O no hydrogen 2.959 N/A LEU 839.A N GLU 835.A O no hydrogen 2.865 N/A HIS 840.A N VAL 836.A O no hydrogen 2.887 N/A PHE 841.A N THR 837.A O no hydrogen 2.907 N/A LEU 842.A N LEU 838.A O no hydrogen 2.985 N/A GLN 843.A N LEU 839.A O no hydrogen 2.810 N/A GLN 843.A NE2 HIS 12.A O no hydrogen 2.838 N/A GLN 843.A NE2 GLU 844.A OE2 no hydrogen 2.853 N/A GLU 844.A N HIS 840.A O no hydrogen 2.933 N/A TYR 845.A N PHE 841.A O no hydrogen 2.936 N/A LEU 846.A N LEU 842.A O no hydrogen 3.080 N/A