Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2fnq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N PHE 58.A O no hydrogen 3.254 N/A TYR 3.A N VAL 55.A O no hydrogen 2.488 N/A TYR 3.A OH PHE 58.A O no hydrogen 2.650 N/A ASN 4.A N ILE 88.A O no hydrogen 3.168 N/A VAL 5.A N TYR 53.A O no hydrogen 2.677 N/A GLU 6.A N ILE 86.A O no hydrogen 3.004 N/A VAL 7.A N GLU 51.A O no hydrogen 2.684 N/A GLU 8.A N ARG 84.A O no hydrogen 3.223 N/A THR 9.A N SER 49.A O no hydrogen 2.695 N/A THR 9.A OG1 SER 49.A OG no hydrogen 3.078 N/A GLY 10.A N PHE 81.A O no hydrogen 2.895 N/A ALA 15.A N ARG 12.A O no hydrogen 2.782 N/A THR 17.A N PHE 45.A O no hydrogen 3.208 N/A THR 20.A N ASP 71.A OD1 no hydrogen 2.353 N/A THR 20.A OG1 ASP 71.A OD2 no hydrogen 3.282 N/A THR 22.A N HIS 69.A O no hydrogen 3.176 N/A ILE 23.A N LEU 35.A O no hydrogen 2.940 N/A ARG 24.A N GLU 67.A O no hydrogen 2.809 N/A ARG 24.A NE GLU 67.A OE2 no hydrogen 2.892 N/A ARG 24.A NH2 GLU 67.A OE1 no hydrogen 2.602 N/A ARG 24.A NH2 GLU 67.A OE2 no hydrogen 2.881 N/A ILE 25.A N THR 32.A OG1 no hydrogen 3.296 N/A THR 26.A N LEU 65.A O no hydrogen 3.003 N/A THR 26.A OG1 GLU 67.A OE2 no hydrogen 3.043 N/A GLY 27.A N GLY 30.A O no hydrogen 2.737 N/A THR 32.A N ILE 25.A O no hydrogen 2.760 N/A THR 32.A OG1 ILE 25.A O no hydrogen 3.350 N/A LEU 35.A N ILE 23.A O no hydrogen 2.570 N/A LEU 37.A N ILE 21.A O no hydrogen 3.057 N/A LYS 39.A N ASP 44.A OD2 no hydrogen 2.419 N/A ALA 47.A N GLU 46.A OE1 no hydrogen 3.435 N/A SER 49.A N GLU 46.A O no hydrogen 2.753 N/A SER 49.A OG THR 9.A OG1 no hydrogen 3.078 N/A GLU 51.A N VAL 7.A O no hydrogen 3.401 N/A GLN 52.A NE2 TYR 53.A O no hydrogen 3.643 N/A TYR 53.A N VAL 5.A O no hydrogen 2.708 N/A TYR 53.A OH ASP 44.A OD2 no hydrogen 2.514 N/A VAL 55.A N TYR 3.A O no hydrogen 2.819 N/A VAL 60.A N TYR 3.A OH no hydrogen 2.711 N/A VAL 60.A N PHE 58.A O no hydrogen 3.204 N/A GLN 64.A N THR 26.A O no hydrogen 2.710 N/A LEU 65.A N THR 26.A O no hydrogen 3.220 N/A ILE 66.A N LEU 110.A O no hydrogen 3.157 N/A LEU 68.A N MET 108.A O no hydrogen 3.264 N/A HIS 69.A N THR 22.A O no hydrogen 2.814 N/A HIS 69.A ND1 ASP 107.A OD1 no hydrogen 2.699 N/A HIS 69.A ND1 ASP 107.A OD2 no hydrogen 3.116 N/A SER 70.A N LYS 106.A O no hydrogen 2.807 N/A ASP 71.A N SER 70.A OG no hydrogen 2.482 N/A TRP 80.A N VAL 104.A O no hydrogen 3.468 N/A TRP 80.A NE1 THR 9.A OG1 no hydrogen 3.072 N/A PHE 81.A N ALA 15.A O no hydrogen 2.623 N/A ASN 83.A N GLU 8.A O no hydrogen 3.089 N/A ARG 84.A N GLU 8.A O no hydrogen 3.462 N/A ILE 86.A N GLU 6.A O no hydrogen 2.944 N/A ILE 87.A N TYR 96.A O no hydrogen 3.094 N/A ILE 88.A N ASN 4.A O no hydrogen 2.876 N/A SER 89.A OG THR 91.A OG1 no hydrogen 3.128 N/A SER 90.A N ILE 2.A O no hydrogen 3.341 N/A SER 90.A OG ILE 2.A O no hydrogen 2.638 N/A THR 91.A OG1 ASP 59.A OD1 no hydrogen 2.854 N/A THR 91.A OG1 ASP 59.A OD2 no hydrogen 2.850 N/A THR 91.A OG1 SER 89.A OG no hydrogen 3.128 N/A GLN 92.A N SER 89.A O no hydrogen 3.008 N/A TYR 96.A N ILE 87.A O no hydrogen 3.221 N/A TYR 96.A OH ASP 62.A O no hydrogen 2.781 N/A TYR 96.A OH ASP 62.A OD1 no hydrogen 2.663 N/A SER 97.A OG GLU 622.A OE1 no hydrogen 3.531 N/A CYS 100.A N ASN 83.A O no hydrogen 3.010 N/A CYS 100.A SG VAL 82.A O no hydrogen 3.421 N/A CYS 100.A SG ARG 102.A O no hydrogen 3.979 N/A PHE 101.A N VAL 82.A O no hydrogen 2.756 N/A ARG 102.A NH1 CYS 100.A O no hydrogen 2.901 N/A TRP 103.A N ASP 165.A OD1 no hydrogen 3.340 N/A VAL 104.A N TRP 80.A O no hydrogen 2.510 N/A MET 108.A N LEU 68.A O no hydrogen 3.098 N/A LEU 110.A N ILE 66.A O no hydrogen 3.052 N/A THR 116.A N ALA 382.A O no hydrogen 3.028 N/A ASN 120.A N LEU 117.A O no hydrogen 3.091 N/A SER 127.A N PRO 123.A O no hydrogen 3.295 N/A SER 127.A N ALA 124.A O no hydrogen 3.006 N/A ARG 130.A NH2 THR 116.A O no hydrogen 2.774 N/A ARG 130.A NH2 GLU 497.A OE1 no hydrogen 3.312 N/A GLN 131.A NE2 GLU 128.A OE1 no hydrogen 3.225 N/A GLN 131.A NE2 GLU 128.A OE2 no hydrogen 3.435 N/A GLU 133.A N GLN 129.A O no hydrogen 3.332 N/A LEU 134.A N ARG 130.A O no hydrogen 3.175 N/A GLU 135.A N GLN 131.A O no hydrogen 3.304 N/A GLU 135.A N LYS 132.A O no hydrogen 3.001 N/A ARG 137.A N GLU 133.A O no hydrogen 2.819 N/A ARG 137.A NH1 TRP 376.A O no hydrogen 2.439 N/A ARG 137.A NH1 LEU 379.A O no hydrogen 2.995 N/A ARG 137.A NH2 SER 381.A OG no hydrogen 3.281 N/A LYS 138.A N LEU 134.A O no hydrogen 3.105 N/A LYS 138.A NZ ARG 377.A O no hydrogen 2.996 N/A LEU 139.A N GLN 136.A O no hydrogen 2.946 N/A THR 140.A N GLN 136.A O no hydrogen 3.068 N/A THR 140.A N ARG 137.A O no hydrogen 3.207 N/A THR 140.A OG1 GLN 136.A O no hydrogen 3.299 N/A GLN 142.A NE2 LEU 139.A O no hydrogen 2.982 N/A TRP 143.A NE1 ASP 504.A OD2 no hydrogen 2.881 N/A ASP 144.A N ASN 153.A O no hydrogen 2.926 N/A TYR 145.A OH ASN 508.A O no hydrogen 2.841 N/A SER 147.A OG GLU 430.A OE1 no hydrogen 2.589 N/A ASP 149.A N SER 147.A OG no hydrogen 3.183 N/A GLY 152.A N GLY 509.A O no hydrogen 2.882 N/A ASN 153.A N ASP 144.A O no hydrogen 2.958 N/A ILE 154.A N GLU 369.A OE2 no hydrogen 3.019 N/A LYS 155.A N GLN 142.A O no hydrogen 2.908 N/A LYS 155.A NZ GLN 142.A OE1 no hydrogen 3.481 N/A LYS 157.A NZ ASP 161.A OD1 no hydrogen 2.766 N/A LYS 157.A NZ ASP 161.A OD2 no hydrogen 3.132 N/A HIS 159.A ND1 ASP 160.A OD1 no hydrogen 2.933 N/A ASP 161.A N THR 158.A O no hydrogen 2.692 N/A LEU 162.A N HIS 159.A O no hydrogen 2.904 N/A ARG 164.A NH1 ASP 79.A OD1 no hydrogen 2.791 N/A VAL 166.A N PRO 163.A O no hydrogen 2.857 N/A GLN 167.A N PRO 163.A O no hydrogen 3.237 N/A GLN 167.A N ARG 164.A O no hydrogen 3.161 N/A GLN 167.A NE2 HIS 159.A O no hydrogen 3.629 N/A GLN 167.A NE2 LEU 162.A O no hydrogen 2.718 N/A PHE 168.A N HIS 159.A NE2 no hydrogen 2.780 N/A THR 169.A OG1 TYR 394.A OH no hydrogen 3.229 N/A LYS 172.A NZ GLU 610.A OE2 no hydrogen 3.533 N/A SER 173.A N THR 169.A O no hydrogen 2.940 N/A ARG 174.A N ASP 170.A O no hydrogen 2.627 N/A SER 175.A N GLU 171.A O no hydrogen 2.588 N/A TYR 176.A N LYS 172.A O no hydrogen 2.669 N/A TYR 176.A OH GLU 406.A OE1 no hydrogen 2.427 N/A GLN 177.A N SER 173.A O no hydrogen 2.631 N/A GLU 178.A N ARG 174.A O no hydrogen 2.859 N/A SER 179.A N SER 175.A O no hydrogen 2.791 N/A SER 179.A OG SER 175.A O no hydrogen 2.474 N/A ALA 183.A N ARG 180.A O no hydrogen 2.464 N/A LEU 184.A N LYS 181.A O no hydrogen 3.043 N/A VAL 185.A N ALA 182.A O no hydrogen 3.252 N/A LEU 187.A N LEU 184.A O no hydrogen 3.169 N/A GLY 188.A N VAL 185.A O no hydrogen 3.205 N/A THR 194.A N SER 191.A O no hydrogen 2.995 N/A MET 195.A N LEU 192.A O no hydrogen 2.955 N/A ASN 198.A ND2 LEU 584.A O no hydrogen 3.398 N/A ASP 204.A N SER 201.A O no hydrogen 3.002 N/A ASP 204.A N SER 201.A OG no hydrogen 3.263 N/A TYR 205.A N TYR 202.A O no hydrogen 3.109 N/A TYR 205.A OH PRO 588.A O no hydrogen 2.881 N/A HIS 206.A N ASP 203.A O no hydrogen 3.160 N/A HIS 206.A ND1 TYR 209.A OH no hydrogen 2.528 N/A HIS 206.A NE2 ASP 203.A OD1 no hydrogen 2.795 N/A ILE 207.A N ASP 204.A O no hydrogen 3.230 N/A LEU 208.A N TYR 205.A O no hydrogen 3.043 N/A TYR 209.A N HIS 206.A O no hydrogen 3.438 N/A TYR 209.A OH HIS 206.A ND1 no hydrogen 2.528 N/A ARG 210.A N ILE 207.A O no hydrogen 2.642 N/A ASN 211.A ND2 LEU 187.A O no hydrogen 2.768 N/A TRP 212.A N TYR 209.A O no hydrogen 3.251 N/A GLY 216.A N ILE 213.A O no hydrogen 3.392 N/A ASN 219.A N ASP 555.A OD2 no hydrogen 3.000 N/A ASN 219.A ND2 TYR 657.A OH no hydrogen 3.233 N/A ALA 221.A N PRO 218.A O no hydrogen 3.160 N/A ARG 223.A N MET 220.A O no hydrogen 3.048 N/A ARG 223.A NE ASP 222.A OD2 no hydrogen 2.892 N/A ARG 223.A NH2 GLU 652.A OE2 no hydrogen 2.921 N/A TRP 224.A N MET 220.A O no hydrogen 2.741 N/A GLU 226.A N ARG 223.A O no hydrogen 2.803 N/A ARG 228.A NH1 GLU 652.A OE1 no hydrogen 3.408 N/A PHE 230.A N GLU 226.A O no hydrogen 2.929 N/A GLY 231.A N ASP 227.A O no hydrogen 2.926 N/A TYR 232.A N ARG 228.A O no hydrogen 3.024 N/A GLN 233.A N TRP 229.A O no hydrogen 3.426 N/A GLN 233.A NE2 TRP 229.A O no hydrogen 3.696 N/A PHE 234.A N GLY 231.A O no hydrogen 2.736 N/A LEU 235.A N TYR 232.A O no hydrogen 2.968 N/A ASN 236.A N TYR 232.A O no hydrogen 2.827 N/A ASN 236.A ND2 GLY 460.A O no hydrogen 2.703 N/A GLY 237.A N GLN 233.A O no hydrogen 2.554 N/A ALA 238.A N HIS 556.A ND1 no hydrogen 3.214 N/A THR 244.A N ILE 279.A O no hydrogen 3.132 N/A THR 244.A OG1 ILE 279.A O no hydrogen 3.530 N/A ARG 245.A N ARG 450.A O no hydrogen 2.592 N/A CYS 246.A N ILE 277.A O no hydrogen 2.963 N/A PHE 253.A N PRO 250.A O no hydrogen 2.725 N/A VAL 255.A N PHE 253.A O no hydrogen 2.721 N/A HIS 259.A N THR 256.A O no hydrogen 2.712 N/A VAL 260.A N THR 256.A O no hydrogen 3.422 N/A SER 263.A N VAL 260.A O no hydrogen 3.002 N/A SER 263.A OG HIS 333.A NE2 no hydrogen 3.270 N/A GLU 271.A N ASN 267.A O no hydrogen 3.051 N/A ILE 272.A N LEU 268.A O no hydrogen 2.580 N/A ASP 274.A N GLU 271.A O no hydrogen 2.785 N/A HIS 276.A N GLU 271.A O no hydrogen 3.472 N/A TYR 278.A N PHE 304.A O no hydrogen 2.875 N/A TYR 278.A OH GLY 275.A O no hydrogen 2.795 N/A ILE 279.A N THR 244.A O no hydrogen 2.830 N/A VAL 280.A N ALA 302.A O no hydrogen 2.831 N/A PHE 282.A N PRO 300.A O no hydrogen 2.817 N/A LYS 283.A N ASP 281.A O no hydrogen 2.666 N/A LEU 285.A N PHE 282.A O no hydrogen 3.147 N/A LYS 289.A NZ CYS 297.A O no hydrogen 3.270 N/A ARG 295.A NE ASP 293.A OD1 no hydrogen 2.698 N/A ARG 295.A NH1 ASP 415.A O no hydrogen 3.230 N/A ARG 295.A NH1 LEU 418.A O no hydrogen 3.200 N/A ARG 295.A NH2 ASP 293.A OD2 no hydrogen 3.569 N/A CYS 297.A SG ALA 298.A O no hydrogen 3.757 N/A CYS 297.A SG VAL 349.A O no hydrogen 4.026 N/A ALA 299.A N ASN 320.A OD1 no hydrogen 3.125 N/A LEU 301.A N GLN 318.A O no hydrogen 2.787 N/A ALA 302.A N VAL 280.A O no hydrogen 2.768 N/A LEU 303.A N ALA 316.A O no hydrogen 2.621 N/A PHE 304.A N TYR 278.A O no hydrogen 2.542 N/A TYR 305.A N MET 313.A O no hydrogen 2.836 N/A VAL 306.A N HIS 276.A O no hydrogen 2.992 N/A ASN 307.A N HIS 311.A O no hydrogen 2.863 N/A MET 313.A N TYR 305.A O no hydrogen 2.855 N/A ILE 315.A N LEU 303.A O no hydrogen 2.803 N/A ALA 316.A N LEU 303.A O no hydrogen 3.240 N/A ILE 317.A N TRP 330.A O no hydrogen 2.865 N/A GLN 318.A N LEU 301.A O no hydrogen 2.819 N/A GLN 318.A NE2 ASN 252.A O no hydrogen 2.666 N/A GLN 318.A NE2 ASN 320.A O no hydrogen 2.865 N/A GLN 321.A N ALA 299.A O no hydrogen 3.191 N/A GLN 321.A NE2 ASP 281.A OD1 no hydrogen 3.069 N/A GLN 321.A NE2 ALA 299.A O no hydrogen 2.827 N/A GLY 324.A N ASN 327.A O no hydrogen 3.392 N/A TRP 330.A N ILE 317.A O no hydrogen 3.110 N/A THR 331.A N GLU 334.A OE2 no hydrogen 2.802 N/A THR 331.A OG1 ILE 315.A O no hydrogen 3.341 N/A HIS 333.A NE2 SER 263.A OG no hydrogen 3.270 N/A GLU 334.A N THR 331.A O no hydrogen 3.107 N/A ASP 339.A N ASN 336.A O no hydrogen 2.528 N/A TRP 340.A N GLU 337.A O no hydrogen 2.852 N/A MET 341.A N GLU 337.A O no hydrogen 3.107 N/A MET 342.A N HIS 338.A O no hydrogen 2.724 N/A ALA 343.A N ASP 339.A O no hydrogen 3.086 N/A LYS 344.A N TRP 340.A O no hydrogen 3.157 N/A LYS 344.A NZ HIS 225.A O no hydrogen 3.193 N/A LYS 344.A NZ ASP 227.A OD1 no hydrogen 3.542 N/A PHE 345.A N MET 341.A O no hydrogen 3.055 N/A TRP 346.A N MET 342.A O no hydrogen 3.079 N/A LEU 347.A N ALA 343.A O no hydrogen 2.921 N/A GLY 348.A N LYS 344.A O no hydrogen 2.775 N/A VAL 349.A N PHE 345.A O no hydrogen 2.774 N/A ALA 350.A N TRP 346.A O no hydrogen 3.081 N/A GLU 351.A N LEU 347.A O no hydrogen 3.054 N/A SER 352.A N GLY 348.A O no hydrogen 2.809 N/A SER 352.A OG GLY 348.A O no hydrogen 2.928 N/A SER 352.A OG ALA 563.A O no hydrogen 3.470 N/A SER 352.A OG PRO 564.A O no hydrogen 2.680 N/A ASN 353.A N VAL 349.A O no hydrogen 3.292 N/A PHE 354.A N ALA 350.A O no hydrogen 2.925 N/A HIS 355.A N GLU 351.A O no hydrogen 2.530 N/A HIS 355.A NE2 VAL 549.A O no hydrogen 2.995 N/A GLN 356.A N SER 352.A O no hydrogen 2.824 N/A LEU 357.A N ASN 353.A O no hydrogen 3.130 N/A ASN 358.A N PHE 354.A O no hydrogen 2.942 N/A THR 359.A N PHE 354.A O no hydrogen 3.411 N/A THR 359.A OG1 HIS 355.A O no hydrogen 3.028 N/A HIS 360.A ND1 GLN 356.A OE1 no hydrogen 2.968 N/A LEU 361.A N GLN 356.A O no hydrogen 3.027 N/A LEU 362.A N LEU 357.A O no hydrogen 2.955 N/A ARG 363.A N ASN 358.A O no hydrogen 2.877 N/A ARG 363.A NE ASN 358.A OD1 no hydrogen 3.371 N/A ARG 363.A NH2 ASP 440.A OD2 no hydrogen 3.508 N/A THR 364.A N HIS 360.A O no hydrogen 3.041 N/A THR 364.A OG1 HIS 360.A O no hydrogen 2.510 N/A HIS 365.A N HIS 360.A O no hydrogen 3.478 N/A HIS 365.A ND1 ASP 400.A OD1 no hydrogen 2.977 N/A LEU 366.A N LEU 361.A O no hydrogen 2.874 N/A THR 367.A N LEU 362.A O no hydrogen 2.814 N/A THR 367.A OG1 LEU 362.A O no hydrogen 2.775 N/A THR 367.A OG1 TYR 441.A OH no hydrogen 2.796 N/A THR 368.A OG1 THR 364.A O no hydrogen 2.632 N/A THR 368.A OG1 HIS 365.A O no hydrogen 3.381 N/A GLU 369.A N HIS 365.A O no hydrogen 2.996 N/A SER 370.A N THR 367.A O no hydrogen 3.087 N/A SER 370.A OG GLY 152.A O no hydrogen 2.536 N/A SER 370.A OG THR 367.A O no hydrogen 3.382 N/A SER 370.A OG GLY 509.A O no hydrogen 3.469 N/A ALA 372.A N THR 368.A O no hydrogen 3.209 N/A LEU 373.A N GLU 369.A O no hydrogen 2.999 N/A SER 374.A N SER 370.A O no hydrogen 2.889 N/A SER 374.A OG TRP 501.A O no hydrogen 2.706 N/A THR 375.A N PHE 371.A O no hydrogen 2.867 N/A THR 375.A OG1 PHE 371.A O no hydrogen 2.749 N/A TRP 376.A N ALA 372.A O no hydrogen 3.406 N/A ARG 377.A N LEU 373.A O no hydrogen 2.985 N/A ASN 378.A N SER 374.A O no hydrogen 2.847 N/A ASN 378.A ND2 SER 374.A O no hydrogen 3.042 N/A ASN 378.A ND2 SER 374.A OG no hydrogen 3.163 N/A LEU 379.A N THR 375.A O no hydrogen 3.168 N/A ALA 380.A N GLU 497.A OE1 no hydrogen 3.178 N/A SER 381.A OG GLU 133.A OE1 no hydrogen 3.398 N/A SER 381.A OG GLU 133.A OE2 no hydrogen 2.973 N/A HIS 383.A N ALA 380.A O no hydrogen 2.603 N/A HIS 383.A ND1 GLU 497.A OE1 no hydrogen 3.131 N/A HIS 383.A NE2 TYR 486.A OH no hydrogen 3.136 N/A LYS 387.A N HIS 383.A O no hydrogen 3.108 N/A LEU 389.A N VAL 385.A O no hydrogen 2.651 N/A GLN 390.A N PHE 386.A O no hydrogen 2.878 N/A HIS 392.A N LEU 389.A O no hydrogen 2.572 N/A HIS 392.A ND1 ASN 665.A O no hydrogen 2.605 N/A HIS 392.A NE2 TYR 616.A OH no hydrogen 3.033 N/A ILE 393.A N LEU 389.A O no hydrogen 2.959 N/A TYR 394.A OH GLN 167.A O no hydrogen 2.741 N/A TYR 394.A OH THR 169.A OG1 no hydrogen 3.229 N/A ILE 399.A N GLY 395.A O no hydrogen 2.951 N/A ASP 400.A N VAL 396.A O no hydrogen 2.785 N/A THR 401.A N LEU 397.A O no hydrogen 3.125 N/A THR 401.A OG1 LEU 397.A O no hydrogen 2.485 N/A THR 401.A OG1 ALA 398.A O no hydrogen 3.432 N/A ILE 402.A N ALA 398.A O no hydrogen 3.074 N/A GLY 403.A N ILE 399.A O no hydrogen 2.756 N/A ARG 404.A N ASP 400.A O no hydrogen 2.806 N/A ARG 404.A N THR 401.A O no hydrogen 3.014 N/A LYS 405.A N ILE 402.A O no hydrogen 3.074 N/A GLU 406.A N ILE 402.A O no hydrogen 2.838 N/A LEU 407.A N GLY 403.A O no hydrogen 2.692 N/A ILE 408.A N GLY 403.A O no hydrogen 2.948 N/A GLY 409.A N LYS 405.A O no hydrogen 3.033 N/A GLY 412.A N GLY 409.A O no hydrogen 3.122 N/A ILE 413.A N GLU 406.A O no hydrogen 3.288 N/A VAL 414.A N LEU 407.A O no hydrogen 3.224 N/A GLN 416.A N GLY 412.A O no hydrogen 3.009 N/A LEU 418.A N VAL 414.A O no hydrogen 3.362 N/A SER 419.A OG TYR 296.A O no hydrogen 2.849 N/A SER 419.A OG ALA 565.A O no hydrogen 3.199 N/A GLY 421.A N LEU 418.A O no hydrogen 3.295 N/A HIS 425.A ND1 LEU 420.A O no hydrogen 3.009 N/A HIS 425.A NE2 ILE 408.A O no hydrogen 3.046 N/A VAL 426.A N GLY 423.A O no hydrogen 2.707 N/A THR 427.A N GLY 423.A O no hydrogen 3.411 N/A THR 427.A OG1 GLY 423.A O no hydrogen 3.391 N/A THR 427.A OG1 GLY 424.A O no hydrogen 2.987 N/A PHE 428.A N GLY 424.A O no hydrogen 2.721 N/A MET 429.A N HIS 425.A O no hydrogen 3.048 N/A GLU 430.A N VAL 426.A O no hydrogen 3.298 N/A LYS 431.A N THR 427.A O no hydrogen 3.133 N/A LYS 431.A NZ VAL 284.A O no hydrogen 3.430 N/A CYS 432.A N PHE 428.A O no hydrogen 3.128 N/A CYS 432.A SG PHE 428.A O no hydrogen 3.402 N/A PHE 433.A N MET 429.A O no hydrogen 2.973 N/A LYS 434.A N GLU 430.A O no hydrogen 2.903 N/A GLU 435.A N CYS 432.A O no hydrogen 3.060 N/A VAL 436.A N PHE 433.A O no hydrogen 2.907 N/A ASN 437.A N ASP 440.A OD2 no hydrogen 2.579 N/A LEU 438.A N HIS 519.A O no hydrogen 2.911 N/A ASP 440.A N ASN 437.A O no hydrogen 2.766 N/A TYR 441.A N LEU 438.A O no hydrogen 3.137 N/A TYR 441.A OH THR 367.A OG1 no hydrogen 2.796 N/A ALA 446.A N HIS 442.A O no hydrogen 2.836 N/A LEU 447.A N LEU 443.A O no hydrogen 2.646 N/A LYS 448.A N PRO 444.A O no hydrogen 2.951 N/A LYS 449.A N ASN 445.A O no hydrogen 2.604 N/A ARG 450.A N LEU 447.A O no hydrogen 3.036 N/A ARG 450.A NH2 PRO 240.A O no hydrogen 2.829 N/A ARG 450.A NH2 VAL 241.A O no hydrogen 2.613 N/A GLY 451.A N LYS 448.A O no hydrogen 3.105 N/A SER 456.A OG ASP 454.A OD1 no hydrogen 2.531 N/A SER 456.A OG ASP 454.A OD2 no hydrogen 2.610 N/A LYS 457.A N ASP 454.A OD1 no hydrogen 2.432 N/A LYS 457.A NZ ASP 274.A O no hydrogen 2.724 N/A LEU 458.A N ASP 454.A O no hydrogen 2.958 N/A TYR 462.A N ASN 236.A OD1 no hydrogen 2.685 N/A TYR 463.A N ASN 236.A OD1 no hydrogen 3.207 N/A TYR 463.A OH GLN 545.A OE1 no hydrogen 2.508 N/A ARG 464.A NE PHE 461.A O no hydrogen 3.341 N/A ARG 464.A NE ASP 465.A OD2 no hydrogen 2.770 N/A ARG 464.A NH1 VAL 452.A O no hydrogen 3.027 N/A ARG 464.A NH1 LEU 458.A O no hydrogen 2.923 N/A ARG 464.A NH2 LEU 458.A O no hydrogen 2.839 N/A ASP 465.A N PHE 461.A O no hydrogen 3.145 N/A ASP 466.A N TYR 462.A O no hydrogen 2.682 N/A GLY 467.A N TYR 463.A O no hydrogen 2.591 N/A LEU 468.A N ARG 464.A O no hydrogen 2.725 N/A ALA 469.A N ASP 465.A O no hydrogen 2.908 N/A LEU 470.A N ASP 466.A O no hydrogen 3.109 N/A TRP 471.A N GLY 467.A O no hydrogen 2.763 N/A GLU 472.A N LEU 468.A O no hydrogen 2.844 N/A ALA 473.A N LEU 470.A O no hydrogen 2.885 N/A ILE 474.A N LEU 470.A O no hydrogen 2.736 N/A GLU 475.A N TRP 471.A O no hydrogen 2.618 N/A THR 476.A N GLU 472.A O no hydrogen 3.266 N/A THR 476.A OG1 GLU 472.A O no hydrogen 2.611 N/A PHE 477.A N ALA 473.A O no hydrogen 2.846 N/A ILE 478.A N ILE 474.A O no hydrogen 2.956 N/A GLY 479.A N GLU 475.A O no hydrogen 2.883 N/A GLU 480.A N THR 476.A O no hydrogen 3.093 N/A ILE 481.A N PHE 477.A O no hydrogen 3.218 N/A ILE 482.A N ILE 478.A O no hydrogen 3.066 N/A ALA 483.A N GLY 479.A O no hydrogen 2.943 N/A ILE 484.A N GLU 480.A O no hydrogen 2.851 N/A PHE 485.A N ILE 481.A O no hydrogen 3.146 N/A TYR 486.A N ILE 482.A O no hydrogen 2.483 N/A TYR 486.A OH HIS 383.A NE2 no hydrogen 3.136 N/A ASN 488.A N ASP 491.A OD2 no hydrogen 3.018 N/A ASP 490.A N ASN 488.A OD1 no hydrogen 2.665 N/A ASP 491.A N ASN 488.A OD1 no hydrogen 3.107 N/A VAL 492.A N ASN 488.A O no hydrogen 3.451 N/A LYS 493.A N ASP 489.A O no hydrogen 3.375 N/A ARG 494.A N ASP 490.A O no hydrogen 2.594 N/A ASP 495.A N ASP 491.A O no hydrogen 2.724 N/A ILE 498.A N ASP 495.A OD1 no hydrogen 2.574 N/A GLN 499.A N ASP 495.A O no hydrogen 3.139 N/A GLN 499.A NE2 VAL 492.A O no hydrogen 2.832 N/A GLN 499.A NE2 PHE 525.A O no hydrogen 3.274 N/A SER 500.A N ASN 496.A O no hydrogen 2.995 N/A SER 500.A OG ASN 496.A O no hydrogen 2.983 N/A TRP 501.A N GLU 497.A O no hydrogen 2.893 N/A TRP 501.A NE1 THR 375.A OG1 no hydrogen 2.777 N/A ILE 502.A N ILE 498.A O no hydrogen 3.299 N/A TYR 503.A N GLN 499.A O no hydrogen 3.250 N/A TYR 503.A N SER 500.A O no hydrogen 3.125 N/A ASP 504.A N SER 500.A O no hydrogen 2.737 N/A VAL 505.A N TRP 501.A O no hydrogen 3.416 N/A HIS 506.A N ILE 502.A O no hydrogen 3.285 N/A HIS 506.A ND1 VAL 521.A O no hydrogen 3.061 N/A LYS 507.A N TYR 503.A O no hydrogen 2.894 N/A ASN 508.A N ASP 504.A O no hydrogen 2.852 N/A TRP 510.A N VAL 505.A O no hydrogen 2.702 N/A TRP 510.A NE1 THR 367.A O no hydrogen 3.043 N/A ASN 513.A ND2 ASP 148.A O no hydrogen 2.681 N/A HIS 516.A ND1 HIS 519.A NE2 no hydrogen 2.830 N/A HIS 516.A NE2 ASP 149.A OD1 no hydrogen 2.918 N/A GLN 517.A N LYS 434.A O no hydrogen 2.929 N/A HIS 519.A ND1 VAL 436.A O no hydrogen 2.651 N/A HIS 519.A NE2 HIS 516.A ND1 no hydrogen 2.830 N/A GLY 520.A N ASP 518.A OD2 no hydrogen 2.562 N/A SER 524.A OG GLU 526.A OE2 no hydrogen 2.912 N/A PHE 525.A N GLN 499.A OE1 no hydrogen 2.763 N/A GLU 526.A N GLN 530.A OE1 no hydrogen 2.558 N/A SER 527.A N GLN 530.A OE1 no hydrogen 3.418 N/A ARG 528.A NH1 TYR 486.A O no hydrogen 2.530 N/A GLN 530.A N SER 527.A OG no hydrogen 2.628 N/A LYS 532.A N ARG 528.A O no hydrogen 2.789 N/A GLU 533.A N GLU 529.A O no hydrogen 3.096 N/A VAL 534.A N GLN 530.A O no hydrogen 2.960 N/A LEU 535.A N LEU 531.A O no hydrogen 2.926 N/A THR 536.A N LYS 532.A O no hydrogen 2.807 N/A THR 536.A OG1 LYS 532.A O no hydrogen 2.705 N/A SER 537.A N GLU 533.A O no hydrogen 3.058 N/A SER 537.A OG TYR 441.A O no hydrogen 3.469 N/A SER 537.A OG GLU 533.A O no hydrogen 3.065 N/A LEU 538.A N VAL 534.A O no hydrogen 2.910 N/A VAL 539.A N LEU 535.A O no hydrogen 3.020 N/A PHE 540.A N THR 536.A O no hydrogen 2.824 N/A THR 541.A N SER 537.A O no hydrogen 2.891 N/A THR 541.A N LEU 538.A O no hydrogen 3.212 N/A THR 541.A OG1 SER 537.A O no hydrogen 3.208 N/A PHE 542.A N LEU 538.A O no hydrogen 3.014 N/A SER 543.A N VAL 539.A O no hydrogen 2.963 N/A SER 543.A OG VAL 539.A O no hydrogen 2.864 N/A CYS 544.A N SER 543.A OG no hydrogen 2.559 N/A CYS 544.A SG SER 543.A OG no hydrogen 3.585 N/A GLN 545.A N PHE 540.A O no hydrogen 2.819 N/A HIS 546.A N THR 541.A O no hydrogen 3.267 N/A ALA 547.A N SER 543.A O no hydrogen 3.007 N/A ALA 548.A N CYS 544.A O no hydrogen 3.005 N/A VAL 549.A N GLN 545.A O no hydrogen 3.136 N/A VAL 549.A N HIS 546.A O no hydrogen 3.307 N/A ASN 550.A N HIS 546.A O no hydrogen 2.820 N/A SER 552.A OG ALA 548.A O no hydrogen 2.835 N/A GLN 553.A N ASN 550.A O no hydrogen 2.818 N/A HIS 556.A N SER 552.A O no hydrogen 3.131 N/A TYR 557.A N GLN 553.A O no hydrogen 2.917 N/A TYR 557.A OH HIS 355.A ND1 no hydrogen 2.763 N/A ASN 562.A N PHE 559.A O no hydrogen 2.613 N/A ALA 563.A N THR 560.A O no hydrogen 3.160 N/A LEU 567.A N SER 419.A OG no hydrogen 3.243 N/A ARG 568.A N THR 586.A O no hydrogen 2.797 N/A ARG 568.A NE LEU 587.A O no hydrogen 2.857 N/A ARG 568.A NH2 LEU 587.A O no hydrogen 2.948 N/A LYS 575.A NZ ILE 329.A O no hydrogen 3.317 N/A LYS 575.A NZ GLU 334.A OE1 no hydrogen 3.245 N/A LYS 575.A NZ GLU 334.A OE2 no hydrogen 2.867 N/A ALA 578.A N ASP 339.A OD1 no hydrogen 3.462 N/A THR 579.A N SER 582.A OG no hydrogen 2.540 N/A THR 579.A OG1 GLU 577.A O no hydrogen 3.083 N/A SER 582.A OG THR 579.A O no hydrogen 2.698 N/A ILE 583.A N THR 579.A O no hydrogen 2.806 N/A LEU 584.A N GLN 581.A O no hydrogen 2.656 N/A SER 585.A N SER 582.A O no hydrogen 2.823 N/A SER 585.A OG GLN 581.A O no hydrogen 3.442 N/A SER 585.A OG SER 582.A O no hydrogen 2.775 N/A THR 586.A OG1 SER 582.A O no hydrogen 3.347 N/A SER 589.A N GLN 592.A OE1 no hydrogen 3.225 N/A LYS 590.A N GLU 197.A O no hydrogen 3.257 N/A SER 591.A OG MET 195.A O no hydrogen 3.075 N/A GLN 592.A N SER 589.A OG no hydrogen 3.347 N/A ALA 593.A N SER 589.A O no hydrogen 2.640 N/A ALA 594.A N LYS 590.A O no hydrogen 3.162 N/A LYS 595.A N SER 591.A O no hydrogen 2.863 N/A ALA 596.A N GLN 592.A O no hydrogen 3.137 N/A ILE 597.A N ALA 593.A O no hydrogen 3.483 N/A ALA 598.A N ALA 594.A O no hydrogen 3.050 N/A THR 599.A N LYS 595.A O no hydrogen 3.010 N/A THR 599.A OG1 ILE 413.A O no hydrogen 2.736 N/A THR 599.A OG1 LYS 595.A O no hydrogen 2.721 N/A VAL 600.A N ALA 596.A O no hydrogen 2.763 N/A TYR 601.A N ILE 597.A O no hydrogen 2.509 N/A ILE 602.A N ALA 598.A O no hydrogen 3.166 N/A LEU 603.A N THR 599.A O no hydrogen 2.809 N/A THR 604.A N VAL 600.A O no hydrogen 2.931 N/A THR 604.A OG1 VAL 600.A O no hydrogen 2.597 N/A LYS 605.A NZ PHE 606.A O no hydrogen 3.178 N/A SER 607.A OG ASP 609.A OD1 no hydrogen 2.289 N/A ARG 611.A NH1 ASN 615.A OD1 no hydrogen 3.346 N/A LEU 613.A N ILE 663.A O no hydrogen 2.850 N/A TYR 616.A OH HIS 392.A NE2 no hydrogen 3.033 N/A SER 617.A N ASN 615.A OD1 no hydrogen 2.894 N/A THR 619.A OG1 TYR 616.A O no hydrogen 2.222 N/A ALA 626.A N ASP 623.A OD1 no hydrogen 2.790 N/A LEU 627.A N ASP 623.A O no hydrogen 3.255 N/A ASP 628.A N LYS 624.A O no hydrogen 2.975 N/A ALA 629.A N ASP 625.A O no hydrogen 2.729 N/A ILE 630.A N ALA 626.A O no hydrogen 2.636 N/A ASN 631.A N LEU 627.A O no hydrogen 2.897 N/A ASN 631.A ND2 LEU 627.A O no hydrogen 3.041 N/A ARG 632.A N ASP 628.A O no hydrogen 2.626 N/A ARG 632.A NE GLU 480.A OE1 no hydrogen 2.692 N/A ARG 632.A NH2 GLU 480.A OE1 no hydrogen 3.520 N/A PHE 633.A N ALA 629.A O no hydrogen 2.754 N/A GLN 634.A N ILE 630.A O no hydrogen 2.695 N/A ASP 635.A N ASN 631.A O no hydrogen 2.832 N/A LYS 636.A N ARG 632.A O no hydrogen 3.099 N/A LEU 637.A N PHE 633.A O no hydrogen 2.990 N/A GLU 638.A N GLN 634.A O no hydrogen 3.073 N/A ASP 639.A N ASP 635.A O no hydrogen 3.264 N/A ILE 640.A N LYS 636.A O no hydrogen 2.919 N/A SER 641.A N LEU 637.A O no hydrogen 2.827 N/A SER 641.A OG GLU 661.A OE1 no hydrogen 3.561 N/A SER 641.A OG GLU 661.A OE2 no hydrogen 3.244 N/A LYS 642.A N GLU 638.A O no hydrogen 2.858 N/A LYS 643.A N ASP 639.A O no hydrogen 2.769 N/A ILE 644.A N ILE 640.A O no hydrogen 2.739 N/A LYS 645.A N SER 641.A O no hydrogen 3.285 N/A LYS 645.A NZ GLU 661.A OE1 no hydrogen 3.023 N/A GLN 646.A N LYS 642.A O no hydrogen 2.897 N/A ARG 647.A N LYS 643.A O no hydrogen 3.040 N/A ARG 647.A NE ASN 648.A OD1 no hydrogen 3.414 N/A ARG 647.A NH1 ASP 466.A OD1 no hydrogen 2.700 N/A ARG 647.A NH2 ASP 466.A OD1 no hydrogen 3.237 N/A ARG 647.A NH2 ASP 466.A OD2 no hydrogen 2.981 N/A ARG 647.A NH2 ASN 648.A OD1 no hydrogen 3.532 N/A ARG 647.A NH2 TYR 655.A O no hydrogen 3.020 N/A ASN 648.A N ILE 644.A O no hydrogen 3.027 N/A ASN 648.A ND2 TYR 655.A O no hydrogen 3.675 N/A GLU 649.A N LYS 645.A O no hydrogen 2.729 N/A ASN 650.A N ARG 647.A O no hydrogen 3.074 N/A LEU 651.A N ASN 648.A O no hydrogen 2.783 N/A TYR 657.A OH ASP 555.A OD1 no hydrogen 2.450 N/A LEU 659.A N ILE 656.A O no hydrogen 3.493 N/A GLU 661.A N GLU 661.A OE2 no hydrogen 2.419 N/A ILE 663.A N PRO 660.A O no hydrogen 3.140 N/A ASN 665.A N ARG 611.A O no hydrogen 3.119 N/A ASN 665.A ND2 ASN 615.A O no hydrogen 3.165 N/A THR 667.A OG1 PHE 542.A O no hydrogen 3.131 N/A