Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9gs9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 5.A OE1 no hydrogen 3.109 N/A LEU 3.A N HIS 2.A ND1 no hydrogen 3.064 N/A LEU 3.A N ASP 31.A O no hydrogen 2.994 N/A LEU 6.A N LEU 3.A O no hydrogen 3.173 N/A THR 13.A OG1 ASP 11.A OD1 no hydrogen 2.970 N/A ARG 15.A N ASP 11.A O no hydrogen 3.139 N/A ASP 16.A N THR 12.A O no hydrogen 2.804 N/A ARG 17.A N THR 13.A O no hydrogen 2.882 N/A SER 18.A N GLU 14.A O no hydrogen 3.019 N/A SER 18.A OG GLU 14.A O no hydrogen 3.214 N/A SER 18.A OG ARG 15.A O no hydrogen 2.552 N/A LEU 19.A N ARG 15.A O no hydrogen 2.818 N/A ARG 20.A N ASP 16.A O no hydrogen 2.801 N/A ARG 21.A N ARG 17.A O no hydrogen 2.939 N/A ALA 22.A N SER 18.A O no hydrogen 2.804 N/A PHE 23.A N LEU 19.A O no hydrogen 3.059 N/A SER 24.A OG ARG 20.A O no hydrogen 2.673 N/A THR 27.A N SER 24.A O no hydrogen 3.394 N/A THR 27.A OG1 ARG 21.A O no hydrogen 2.485 N/A THR 27.A OG1 ALA 22.A O no hydrogen 3.307 N/A THR 27.A OG1 SER 24.A O no hydrogen 2.895 N/A ASP 31.A N MET 1.A O no hydrogen 2.799 N/A ILE 32.A N LYS 140.A O no hydrogen 2.825 N/A THR 33.A N ASP 31.A OD1 no hydrogen 3.414 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.579 N/A THR 33.A OG1 GLN 142.A O no hydrogen 3.360 N/A LEU 40.A N GLU 36.A O no hydrogen 3.057 N/A ILE 41.A N ALA 37.A O no hydrogen 3.059 N/A ILE 42.A N VAL 38.A O no hydrogen 3.190 N/A LEU 43.A N ALA 39.A O no hydrogen 2.957 N/A LEU 44.A N LEU 40.A O no hydrogen 2.952 N/A ASN 45.A N ILE 41.A O no hydrogen 2.806 N/A ASN 45.A ND2 LEU 56.A O no hydrogen 2.570 N/A ASN 45.A ND2 ASP 58.A O no hydrogen 2.996 N/A LEU 46.A N ILE 42.A O no hydrogen 2.804 N/A THR 47.A OG1 LEU 43.A O no hydrogen 3.456 N/A THR 47.A OG1 LEU 44.A O no hydrogen 3.053 N/A TYR 48.A N ASN 45.A O no hydrogen 3.472 N/A TYR 48.A OH LEU 61.A O no hydrogen 2.941 N/A LEU 56.A N ASP 16.A OD2 no hydrogen 2.689 N/A LYS 59.A NZ SER 165.A O no hydrogen 3.458 N/A LYS 63.A N LYS 59.A O no hydrogen 3.148 N/A GLN 64.A N LYS 60.A O no hydrogen 2.793 N/A ALA 65.A N LEU 61.A O no hydrogen 3.181 N/A LEU 66.A N ALA 62.A O no hydrogen 2.877 N/A LYS 67.A N LYS 63.A O no hydrogen 2.798 N/A LYS 67.A NZ GLY 167.A O no hydrogen 3.327 N/A SER 68.A N GLN 64.A O no hydrogen 3.297 N/A HIS 71.A N SER 68.A O no hydrogen 3.187 N/A CYS 75.A N HIS 71.A O no hydrogen 3.394 N/A CYS 75.A SG HIS 71.A O no hydrogen 3.288 N/A CYS 75.A SG PHE 131.A O no hydrogen 3.468 N/A ILE 76.A N ILE 72.A O no hydrogen 2.985 N/A LYS 77.A N ASN 73.A O no hydrogen 2.809 N/A GLU 78.A N LYS 74.A O no hydrogen 3.076 N/A PHE 82.A N ILE 79.A O no hydrogen 3.256 N/A HIS 83.A N GLY 121.A O no hydrogen 2.803 N/A THR 84.A N LEU 99.A O no hydrogen 3.237 N/A THR 84.A OG1 LEU 99.A O no hydrogen 3.566 N/A THR 84.A OG1 VAL 101.A O no hydrogen 3.133 N/A HIS 85.A N LEU 99.A O no hydrogen 3.389 N/A ASN 86.A N ILE 215.A O no hydrogen 3.295 N/A ASN 86.A ND2 VAL 245.A O no hydrogen 3.268 N/A LYS 88.A N ASN 86.A OD1 no hydrogen 3.412 N/A LYS 88.A NZ ILE 92.A O no hydrogen 2.780 N/A LYS 88.A NZ VAL 94.A O no hydrogen 3.493 N/A ARG 93.A N ASP 91.A OD1 no hydrogen 3.322 N/A ARG 93.A NE ASP 91.A OD1 no hydrogen 3.045 N/A ARG 93.A NH1 GLN 508.A OE1 no hydrogen 3.105 N/A ARG 93.A NH2 ASP 91.A OD2 no hydrogen 3.120 N/A SER 95.A N ASP 194.A OD2 no hydrogen 2.813 N/A GLN 97.A NE2 SER 192.A O no hydrogen 2.854 N/A ASN 98.A ND2 PHE 82.A O no hydrogen 3.264 N/A ALA 100.A N ALA 188.A O no hydrogen 2.819 N/A VAL 101.A N THR 84.A OG1 no hydrogen 2.978 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.853 N/A TYR 109.A N HIS 107.A ND1 no hydrogen 3.480 N/A LEU 111.A N ILE 655.A O no hydrogen 2.789 N/A SER 113.A N GLU 652.A OE1 no hydrogen 3.478 N/A SER 113.A OG GLU 652.A OE1 no hydrogen 2.698 N/A SER 113.A OG GLU 652.A OE2 no hydrogen 3.528 N/A ALA 114.A N SER 112.A OG no hydrogen 3.370 N/A TYR 116.A N SER 113.A O no hydrogen 3.420 N/A LYS 118.A NZ GLU 187.A OE2 no hydrogen 3.266 N/A TYR 120.A N TYR 138.A OH no hydrogen 2.905 N/A GLY 121.A N HIS 83.A O no hydrogen 2.799 N/A TRP 122.A NE1 GLU 78.A OE1 no hydrogen 3.224 N/A SER 123.A OG ASN 86.A OD1 no hydrogen 3.222 N/A SER 123.A OG VAL 245.A O no hydrogen 2.652 N/A LYS 128.A N ASN 125.A O no hydrogen 3.006 N/A VAL 129.A N SER 126.A O no hydrogen 3.141 N/A LYS 133.A N ASN 130.A O no hydrogen 3.003 N/A PHE 135.A N ALA 132.A O no hydrogen 3.025 N/A VAL 136.A N ALA 132.A O no hydrogen 2.972 N/A SER 137.A OG LYS 133.A O no hydrogen 2.619 N/A PHE 139.A N SER 146.A O no hydrogen 2.839 N/A LYS 140.A N ILE 30.A O no hydrogen 2.963 N/A TRP 141.A N GLN 144.A O no hydrogen 2.811 N/A GLN 144.A N TRP 141.A O no hydrogen 2.794 N/A SER 146.A N PHE 139.A O no hydrogen 2.969 N/A SER 146.A OG TRP 147.A O no hydrogen 3.375 N/A VAL 151.A N TRP 147.A O no hydrogen 3.017 N/A LEU 152.A N LEU 148.A O no hydrogen 2.812 N/A SER 156.A N THR 154.A O no hydrogen 2.998 N/A SER 156.A OG LEU 152.A O no hydrogen 2.766 N/A TRP 159.A N SER 156.A O no hydrogen 2.802 N/A PHE 163.A N TRP 159.A O no hydrogen 2.936 N/A THR 164.A N LYS 160.A O no hydrogen 2.809 N/A THR 164.A OG1 LYS 160.A O no hydrogen 2.644 N/A THR 164.A OG1 SER 161.A O no hydrogen 3.259 N/A SER 165.A OG SER 161.A O no hydrogen 2.591 N/A GLY 167.A N THR 164.A O no hydrogen 3.185 N/A PHE 173.A N SER 169.A O no hydrogen 3.297 N/A LYS 174.A N VAL 170.A O no hydrogen 2.974 N/A SER 175.A N LYS 171.A O no hydrogen 3.102 N/A SER 175.A OG LYS 171.A O no hydrogen 3.200 N/A SER 175.A OG ALA 172.A O no hydrogen 2.643 N/A LEU 176.A N ALA 172.A O no hydrogen 2.802 N/A CYS 177.A N PHE 173.A O no hydrogen 2.800 N/A CYS 177.A SG LEU 152.A O no hydrogen 3.053 N/A CYS 177.A SG SER 156.A OG no hydrogen 2.929 N/A VAL 178.A N LYS 174.A O no hydrogen 2.975 N/A THR 179.A N SER 175.A O no hydrogen 3.147 N/A VAL 180.A N LEU 176.A O no hydrogen 2.938 N/A LYS 181.A N CYS 177.A O no hydrogen 2.983 N/A ASN 182.A N VAL 178.A O no hydrogen 2.804 N/A SER 183.A N THR 179.A O no hydrogen 2.801 N/A SER 183.A OG THR 179.A O no hydrogen 2.666 N/A VAL 193.A N VAL 641.A O no hydrogen 2.800 N/A TYR 196.A N ASP 194.A OD1 no hydrogen 3.221 N/A GLN 199.A NE2 GLY 642.A O no hydrogen 2.755 N/A ILE 200.A N VAL 211.A O no hydrogen 2.812 N/A ARG 201.A NH1 GLU 645.A OE2 no hydrogen 3.082 N/A MET 202.A N LEU 209.A O no hydrogen 2.914 N/A TYR 204.A N GLY 207.A O no hydrogen 2.804 N/A HIS 205.A NE2 GLU 686.A OE1 no hydrogen 2.998 N/A GLY 207.A N TYR 204.A O no hydrogen 3.026 N/A TYR 208.A OH HIS 468.A NE2 no hydrogen 2.728 N/A LEU 209.A N MET 202.A O no hydrogen 2.804 N/A ALA 210.A N LEU 647.A O no hydrogen 3.072 N/A VAL 211.A N ILE 200.A O no hydrogen 2.795 N/A THR 212.A N CYS 649.A O no hydrogen 3.042 N/A THR 212.A OG1 ARG 198.A O no hydrogen 3.443 N/A THR 212.A OG1 HIS 648.A NE2 no hydrogen 2.726 N/A VAL 214.A N ALA 651.A O no hydrogen 2.807 N/A SER 216.A N TYR 453.A OH no hydrogen 2.796 N/A SER 216.A OG TYR 453.A OH no hydrogen 3.092 N/A SER 216.A OG GLU 652.A OE2 no hydrogen 2.857 N/A HIS 217.A N THR 84.A O no hydrogen 3.227 N/A GLN 220.A N SER 216.A O no hydrogen 3.369 N/A SER 221.A N HIS 217.A O no hydrogen 2.897 N/A SER 221.A OG HIS 217.A O no hydrogen 3.086 N/A SER 221.A OG VAL 218.A O no hydrogen 2.521 N/A LYS 222.A N VAL 218.A O no hydrogen 2.852 N/A ILE 223.A N VAL 219.A O no hydrogen 3.002 N/A GLN 224.A N GLN 220.A O no hydrogen 2.803 N/A GLN 224.A NE2 ASN 257.A O no hydrogen 2.876 N/A GLN 225.A N SER 221.A O no hydrogen 3.009 N/A ALA 226.A N LYS 222.A O no hydrogen 2.829 N/A ALA 227.A N ILE 223.A O no hydrogen 2.944 N/A ALA 227.A N GLN 224.A O no hydrogen 3.046 N/A ILE 228.A N GLN 224.A O no hydrogen 3.037 N/A LYS 230.A N ALA 227.A O no hydrogen 3.305 N/A ARG 231.A NH2 ASP 612.A OD1 no hydrogen 3.058 N/A ARG 233.A N TYR 261.A OH no hydrogen 3.397 N/A SER 235.A N VAL 258.A O no hydrogen 2.839 N/A VAL 237.A N ILE 256.A O no hydrogen 2.793 N/A PHE 239.A N GLY 254.A O no hydrogen 3.001 N/A VAL 245.A N PRO 242.A O no hydrogen 3.065 N/A SER 246.A N PRO 242.A O no hydrogen 3.228 N/A MET 247.A N TRP 122.A O no hydrogen 3.261 N/A ALA 249.A N SER 246.A OG no hydrogen 3.199 N/A ALA 250.A N SER 246.A O no hydrogen 3.406 N/A SER 251.A N MET 247.A O no hydrogen 2.803 N/A SER 251.A OG MET 247.A O no hydrogen 3.496 N/A SER 251.A OG LEU 248.A O no hydrogen 2.613 N/A GLY 253.A N ALA 250.A O no hydrogen 3.435 N/A GLY 254.A N ALA 249.A O no hydrogen 2.803 N/A VAL 255.A N LEU 252.A O no hydrogen 3.425 N/A ILE 256.A N VAL 237.A O no hydrogen 2.808 N/A ASN 257.A N GLN 224.A OE1 no hydrogen 3.003 N/A ASN 257.A ND2 GLN 224.A OE1 no hydrogen 3.304 N/A VAL 258.A N SER 235.A O no hydrogen 2.802 N/A LEU 259.A N TYR 453.A O no hydrogen 2.822 N/A ASN 260.A N ARG 233.A O no hydrogen 3.095 N/A TYR 261.A N SER 455.A O no hydrogen 3.224 N/A SER 272.A N GLU 359.A O no hydrogen 3.243 N/A LYS 278.A N SER 274.A O no hydrogen 2.790 N/A LEU 279.A N ARG 275.A O no hydrogen 3.023 N/A LEU 279.A N ALA 276.A O no hydrogen 2.756 N/A ASN 281.A N LEU 279.A O no hydrogen 2.558 N/A LYS 298.A N PRO 294.A O no hydrogen 2.794 N/A ALA 299.A N GLU 295.A O no hydrogen 3.093 N/A LEU 300.A N LEU 296.A O no hydrogen 3.120 N/A GLU 301.A N ILE 297.A O no hydrogen 3.086 N/A GLY 302.A N LYS 298.A O no hydrogen 3.006 N/A ILE 303.A N ALA 299.A O no hydrogen 3.046 N/A PHE 305.A N GLY 302.A O no hydrogen 3.415 N/A ALA 311.A N ASN 307.A O no hydrogen 2.864 N/A LEU 312.A N ASN 308.A O no hydrogen 3.132 N/A LYS 313.A N ALA 309.A O no hydrogen 3.228 N/A GLN 314.A N LEU 310.A O no hydrogen 3.162 N/A ARG 315.A N ALA 311.A O no hydrogen 2.683 N/A ARG 316.A N LEU 312.A O no hydrogen 2.805 N/A GLN 317.A N LYS 313.A O no hydrogen 2.971 N/A LYS 319.A N ARG 315.A O no hydrogen 2.515 N/A VAL 320.A N ARG 316.A O no hydrogen 2.125 N/A ASN 322.A N GLN 318.A O no hydrogen 2.809 N/A ILE 323.A N LYS 319.A O no hydrogen 2.648 N/A LYS 324.A N VAL 320.A O no hydrogen 2.409 N/A GLU 325.A N LYS 321.A O no hydrogen 2.808 N/A LEU 326.A N ASN 322.A O no hydrogen 3.194 N/A ARG 327.A N ILE 323.A O no hydrogen 3.413 N/A ASN 328.A N LYS 324.A O no hydrogen 2.799 N/A THR 329.A N GLU 325.A O no hydrogen 2.802 N/A LEU 330.A N LEU 326.A O no hydrogen 3.108 N/A LEU 331.A N ARG 327.A O no hydrogen 2.802 N/A GLU 332.A N THR 329.A O no hydrogen 2.910 N/A SER 335.A N LEU 331.A O no hydrogen 2.684 N/A VAL 337.A N TRP 333.A O no hydrogen 2.936 N/A PHE 338.A N PHE 334.A O no hydrogen 3.167 N/A GLU 339.A N SER 335.A O no hydrogen 2.919 N/A TRP 340.A N PRO 336.A O no hydrogen 2.933 N/A ARG 341.A N VAL 337.A O no hydrogen 2.969 N/A LEU 342.A N PHE 338.A O no hydrogen 2.981 N/A LEU 342.A N GLU 339.A O no hydrogen 2.953 N/A ASP 343.A N GLU 339.A O no hydrogen 3.236 N/A ILE 345.A N ARG 341.A O no hydrogen 3.024 N/A LEU 354.A N ASP 350.A O no hydrogen 2.647 N/A GLU 355.A N LEU 351.A O no hydrogen 3.013 N/A SER 356.A N GLU 352.A O no hydrogen 2.805 N/A ALA 357.A N GLN 353.A O no hydrogen 2.809 N/A LEU 366.A N GLU 362.A O no hydrogen 2.785 N/A LEU 373.A N PRO 369.A O no hydrogen 3.002 N/A SER 375.A N ASN 371.A O no hydrogen 2.834 N/A LEU 376.A N GLU 372.A O no hydrogen 2.799 N/A THR 377.A N LEU 373.A O no hydrogen 2.794 N/A ILE 378.A N LEU 376.A O no hydrogen 2.721 N/A LEU 380.A N THR 377.A O no hydrogen 2.589 N/A ARG 382.A N ILE 378.A O no hydrogen 2.941 N/A LEU 383.A N PRO 379.A O no hydrogen 2.974 N/A LEU 384.A N PHE 381.A O no hydrogen 3.185 N/A ASN 385.A N ARG 382.A O no hydrogen 2.808 N/A GLU 386.A N ARG 382.A O no hydrogen 3.338 N/A MET 387.A N LEU 383.A O no hydrogen 2.800 N/A LEU 388.A N ASN 385.A O no hydrogen 2.812 N/A GLY 389.A N GLU 386.A O no hydrogen 2.685 N/A SER 405.A N PRO 401.A O no hydrogen 2.778 N/A PRO 406.A N LYS 402.A O no hydrogen 2.972 N/A LEU 407.A N LEU 403.A O no hydrogen 2.896 N/A LYS 408.A N MET 404.A O no hydrogen 2.926 N/A ALA 409.A N SER 405.A O no hydrogen 2.959 N/A ALA 410.A N PRO 406.A O no hydrogen 2.896 N/A LEU 411.A N LEU 407.A O no hydrogen 2.810 N/A GLN 412.A N LYS 408.A O no hydrogen 2.835 N/A TRP 413.A N ALA 409.A O no hydrogen 3.123 N/A LEU 415.A N LEU 411.A O no hydrogen 3.351 N/A VAL 416.A N GLN 412.A O no hydrogen 2.473 N/A ASN 417.A N TRP 413.A O no hydrogen 3.287 N/A ARG 434.A N ILE 536.A O no hydrogen 2.811 N/A ARG 434.A NE ASP 547.A OD2 no hydrogen 3.431 N/A ARG 434.A NH1 TYR 433.A O no hydrogen 2.967 N/A ARG 434.A NH1 GLU 540.A OE2 no hydrogen 2.717 N/A ARG 434.A NH2 GLU 540.A OE2 no hydrogen 3.213 N/A TYR 435.A N TYR 581.A O no hydrogen 2.806 N/A LEU 436.A N ILE 534.A O no hydrogen 2.808 N/A HIS 437.A N CYS 579.A O no hydrogen 2.802 N/A HIS 437.A NE2 ASP 531.A OD2 no hydrogen 3.188 N/A LEU 438.A N LEU 532.A O no hydrogen 2.798 N/A SER 439.A N TRP 577.A O no hydrogen 3.197 N/A SER 439.A OG ASP 531.A OD2 no hydrogen 2.940 N/A GLY 440.A N ASP 531.A OD1 no hydrogen 2.923 N/A ILE 441.A N PHE 530.A O no hydrogen 2.841 N/A ARG 442.A N HIS 567.A O no hydrogen 2.969 N/A ARG 442.A NE GLN 568.A O no hydrogen 3.359 N/A ARG 442.A NH2 GLN 568.A O no hydrogen 3.080 N/A VAL 443.A N LEU 528.A O no hydrogen 2.818 N/A PHE 444.A N VAL 565.A O no hydrogen 3.006 N/A ASP 445.A N ASP 527.A OD1 no hydrogen 2.984 N/A ALA 446.A N CYS 526.A O no hydrogen 3.092 N/A GLN 447.A N ALA 562.A O no hydrogen 3.019 N/A ALA 448.A N LYS 524.A O no hydrogen 2.802 N/A CYS 454.A N ASN 451.A OD1 no hydrogen 3.095 N/A CYS 454.A SG ASN 451.A OD1 no hydrogen 3.240 N/A SER 455.A N LEU 259.A O no hydrogen 2.677 N/A GLY 456.A N ALA 448.A O no hydrogen 3.322 N/A SER 459.A OG THR 461.A OG1 no hydrogen 2.514 N/A THR 461.A OG1 SER 459.A OG no hydrogen 2.514 N/A ALA 462.A N SER 459.A O no hydrogen 3.246 N/A VAL 463.A N SER 459.A O no hydrogen 3.389 N/A TRP 464.A N LEU 460.A O no hydrogen 2.807 N/A GLY 465.A N THR 461.A O no hydrogen 2.803 N/A MET 466.A N ALA 462.A O no hydrogen 2.996 N/A ILE 467.A N VAL 463.A O no hydrogen 3.099 N/A HIS 468.A N TRP 464.A O no hydrogen 2.801 N/A HIS 468.A NE2 TYR 208.A OH no hydrogen 2.728 N/A SER 469.A N GLY 465.A O no hydrogen 2.872 N/A TYR 470.A N MET 466.A O no hydrogen 2.982 N/A TYR 470.A OH LEU 553.A O no hydrogen 2.699 N/A GLN 471.A N ILE 467.A O no hydrogen 2.940 N/A ARG 472.A N HIS 468.A O no hydrogen 2.966 N/A ARG 472.A NE TYR 208.A OH no hydrogen 3.257 N/A LYS 473.A N SER 469.A O no hydrogen 3.136 N/A LEU 474.A N TYR 470.A O no hydrogen 3.063 N/A ASN 475.A N GLN 471.A O no hydrogen 2.811 N/A ASN 475.A ND2 VAL 482.A O no hydrogen 2.774 N/A GLU 476.A N ARG 472.A O no hydrogen 2.994 N/A ALA 477.A N LYS 473.A O no hydrogen 2.807 N/A LEU 478.A N LEU 474.A O no hydrogen 2.900 N/A GLY 479.A N ASN 475.A O no hydrogen 3.221 N/A THR 480.A OG1 ASN 475.A OD1 no hydrogen 3.401 N/A VAL 482.A N ASN 475.A OD1 no hydrogen 3.072 N/A ARG 483.A N ASP 537.A O no hydrogen 2.805 N/A PHE 484.A N GLN 471.A OE1 no hydrogen 3.207 N/A THR 485.A N HIS 535.A O no hydrogen 3.152 N/A THR 485.A OG1 HIS 535.A ND1 no hydrogen 3.158 N/A THR 485.A OG1 HIS 535.A O no hydrogen 2.858 N/A THR 485.A OG1 ASP 537.A OD1 no hydrogen 3.263 N/A SER 486.A OG HIS 535.A ND1 no hydrogen 3.105 N/A PHE 487.A N TRP 680.A O no hydrogen 3.222 N/A SER 488.A N ILE 533.A O no hydrogen 2.821 N/A SER 488.A OG TYR 674.A OH no hydrogen 2.967 N/A PHE 490.A N ASP 531.A O no hydrogen 3.018 N/A ILE 491.A N CYS 599.A O no hydrogen 2.798 N/A ARG 492.A N VAL 529.A O no hydrogen 2.806 N/A ARG 492.A NE ASP 531.A OD1 no hydrogen 2.707 N/A ASN 493.A N VAL 529.A O no hydrogen 2.998 N/A TYR 494.A OH GLY 456.A O no hydrogen 2.662 N/A SER 495.A N ASP 527.A O no hydrogen 2.810 N/A SER 495.A OG ASP 527.A O no hydrogen 3.337 N/A VAL 497.A N TYR 525.A O no hydrogen 2.800 N/A LYS 500.A NZ ASP 522.A OD1 no hydrogen 2.730 N/A SER 506.A N LYS 516.A O no hydrogen 2.953 N/A GLN 508.A N ARG 514.A O no hydrogen 2.808 N/A ARG 514.A N GLN 508.A O no hydrogen 3.184 N/A LYS 516.A N SER 506.A O no hydrogen 3.027 N/A ARG 517.A NH1 PRO 503.A O no hydrogen 2.708 N/A LYS 524.A NZ SER 235.A OG no hydrogen 2.845 N/A CYS 526.A N ALA 446.A O no hydrogen 2.998 N/A CYS 526.A SG ALA 446.A O no hydrogen 3.321 N/A ASP 527.A N SER 495.A O no hydrogen 2.800 N/A LEU 528.A N VAL 443.A O no hydrogen 3.127 N/A VAL 529.A N ASN 493.A O no hydrogen 2.926 N/A PHE 530.A N ILE 441.A O no hydrogen 2.815 N/A ASP 531.A N PHE 490.A O no hydrogen 2.798 N/A LEU 532.A N LEU 438.A O no hydrogen 2.807 N/A ILE 533.A N SER 488.A O no hydrogen 2.907 N/A ILE 534.A N LEU 436.A O no hydrogen 2.809 N/A HIS 535.A N SER 486.A O no hydrogen 2.803 N/A HIS 535.A ND1 SER 486.A OG no hydrogen 3.105 N/A ILE 536.A N ARG 434.A O no hydrogen 2.799 N/A ASP 537.A N ARG 483.A O no hydrogen 2.809 N/A LEU 543.A N TYR 539.A O no hydrogen 2.812 N/A GLN 544.A N GLU 540.A O no hydrogen 2.804 N/A GLN 544.A NE2 GLU 540.A OE1 no hydrogen 2.947 N/A ALA 545.A N ASP 541.A O no hydrogen 3.023 N/A VAL 546.A N ASP 542.A O no hydrogen 2.808 N/A ASP 547.A N LEU 543.A O no hydrogen 2.810 N/A SER 548.A OG GLN 544.A O no hydrogen 2.647 N/A LYS 549.A N VAL 546.A O no hydrogen 3.269 N/A LEU 553.A N LYS 549.A O no hydrogen 3.300 N/A LYS 554.A N PRO 550.A O no hydrogen 3.001 N/A ALA 555.A N ASP 551.A O no hydrogen 2.803 N/A PHE 557.A N LYS 554.A O no hydrogen 3.417 N/A PHE 561.A N GLY 564.A O no hydrogen 3.093 N/A GLY 564.A N PHE 561.A O no hydrogen 2.804 N/A VAL 565.A N PHE 444.A O no hydrogen 3.090 N/A MET 566.A N SER 559.A O no hydrogen 2.799 N/A HIS 567.A N ARG 442.A O no hydrogen 2.804 N/A GLN 568.A N GLN 568.A OE1 no hydrogen 2.755 N/A SER 573.A N GLU 570.A O no hydrogen 3.101 N/A SER 573.A OG GLU 570.A O no hydrogen 2.983 N/A CYS 579.A N HIS 437.A O no hydrogen 3.105 N/A CYS 579.A SG ASN 576.A O no hydrogen 3.232 N/A CYS 579.A SG ASN 576.A OD1 no hydrogen 2.958 N/A TYR 581.A N TYR 435.A O no hydrogen 2.808 N/A ASN 583.A ND2 GLN 586.A OE1 no hydrogen 3.004 N/A GLN 586.A N ASN 583.A OD1 no hydrogen 2.909 N/A PHE 588.A N GLU 584.A O no hydrogen 2.885 N/A GLU 589.A N ASN 585.A O no hydrogen 2.803 N/A LYS 590.A N GLN 586.A O no hydrogen 3.021 N/A LEU 591.A N LEU 587.A O no hydrogen 2.801 N/A ARG 592.A N PHE 588.A O no hydrogen 3.122 N/A CYS 599.A N ILE 491.A O no hydrogen 2.810 N/A TRP 600.A N GLU 661.A O no hydrogen 2.800 N/A VAL 601.A N TRP 489.A O no hydrogen 2.888 N/A MET 602.A N LYS 659.A O no hydrogen 2.802 N/A THR 604.A OG1 VAL 657.A O no hydrogen 3.113 N/A ILE 608.A N SER 108.A O no hydrogen 3.163 N/A GLN 609.A N GLU 613.A OE1 no hydrogen 2.976 N/A LEU 611.A N TYR 116.A OH no hydrogen 2.868 N/A ASP 612.A N ASP 610.A OD2 no hydrogen 3.308 N/A LEU 614.A N ASP 610.A O no hydrogen 3.522 N/A LEU 615.A N LEU 611.A O no hydrogen 2.811 N/A LEU 616.A N ASP 612.A O no hydrogen 2.934 N/A LEU 617.A N GLU 613.A O no hydrogen 2.806 N/A LEU 618.A N LEU 614.A O no hydrogen 2.798 N/A ASN 619.A N LEU 615.A O no hydrogen 2.805 N/A ASN 619.A ND2 ARG 231.A O no hydrogen 3.294 N/A SER 620.A N LEU 616.A O no hydrogen 2.810 N/A ASP 621.A N LEU 617.A O no hydrogen 3.405 N/A LYS 623.A N ASP 621.A OD1 no hydrogen 3.495 N/A SER 625.A N VAL 658.A O no hydrogen 3.217 N/A SER 625.A OG TYR 261.A O no hydrogen 2.722 N/A SER 625.A OG TYR 660.A OH no hydrogen 3.140 N/A SER 627.A N GLY 656.A O no hydrogen 2.975 N/A MET 629.A N ALA 654.A O no hydrogen 3.008 N/A TYR 631.A N MET 689.A O no hydrogen 2.808 N/A MET 632.A N GLU 652.A O no hydrogen 3.022 N/A LEU 633.A N LYS 687.A O no hydrogen 3.000 N/A LEU 634.A N TYR 650.A O no hydrogen 2.808 N/A MET 638.A N HIS 648.A O no hydrogen 3.286 N/A ARG 640.A NE PRO 190.A O no hydrogen 3.064 N/A ARG 640.A NH1 HIS 648.A ND1 no hydrogen 3.262 N/A ARG 640.A NH1 HIS 648.A O no hydrogen 3.139 N/A SER 643.A N ARG 640.A O no hydrogen 3.315 N/A SER 643.A OG GLU 645.A O no hydrogen 2.697 N/A LEU 644.A N GLN 199.A OE1 no hydrogen 2.930 N/A HIS 648.A N MET 638.A O no hydrogen 2.804 N/A HIS 648.A NE2 THR 212.A OG1 no hydrogen 2.726 N/A CYS 649.A N ALA 210.A O no hydrogen 2.808 N/A CYS 649.A SG THR 635.A O no hydrogen 2.997 N/A CYS 649.A SG THR 635.A OG1 no hydrogen 3.502 N/A CYS 649.A SG TYR 650.A O no hydrogen 3.534 N/A TYR 650.A N THR 635.A OG1 no hydrogen 3.269 N/A ALA 651.A N THR 212.A O no hydrogen 2.810 N/A GLU 652.A N MET 632.A O no hydrogen 2.806 N/A ALA 654.A N GLY 630.A O no hydrogen 2.805 N/A ILE 655.A N LEU 111.A O no hydrogen 2.814 N/A GLY 656.A N SER 627.A O no hydrogen 2.980 N/A VAL 658.A N SER 625.A O no hydrogen 3.113 N/A LYS 659.A N MET 602.A O no hydrogen 2.853 N/A TYR 660.A N LYS 623.A O no hydrogen 2.961 N/A TYR 660.A OH TYR 261.A O no hydrogen 3.361 N/A TYR 660.A OH SER 625.A OG no hydrogen 3.140 N/A GLU 661.A N TRP 600.A O no hydrogen 3.059 N/A ARG 667.A N ALA 663.A O no hydrogen 2.979 N/A LEU 668.A N THR 664.A O no hydrogen 2.808 N/A LYS 669.A N SER 665.A O no hydrogen 3.016 N/A TYR 674.A N GLY 670.A O no hydrogen 3.341 N/A TYR 674.A OH SER 488.A OG no hydrogen 2.967 N/A PHE 675.A N ILE 671.A O no hydrogen 2.964 N/A ASN 676.A N ASN 673.A O no hydrogen 3.370 N/A ASN 676.A ND2 GLY 672.A O no hydrogen 3.002 N/A SER 677.A N ASN 673.A O no hydrogen 2.801 N/A SER 677.A OG ASN 673.A O no hydrogen 2.641 N/A TRP 680.A N PHE 487.A O no hydrogen 2.804 N/A TRP 680.A NE1 VAL 601.A O no hydrogen 3.275 N/A MET 681.A N LYS 692.A O no hydrogen 2.803 N/A ASP 683.A N LEU 690.A O no hydrogen 2.797 N/A GLN 685.A N PHE 688.A O no hydrogen 2.827 N/A MET 689.A N TYR 631.A O no hydrogen 2.878 N/A LEU 690.A N ASP 683.A O no hydrogen 3.138 N/A MET 691.A N MET 629.A O no hydrogen 2.802 N/A LYS 692.A N MET 681.A O no hydrogen 2.802 N/A LYS 692.A NZ LYS 693.A O no hydrogen 2.975 N/A