Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7mqr_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N CYS 220.A O no hydrogen 2.636 N/A GLU 6.A N ASN 25.A O no hydrogen 3.080 N/A CYS 8.A N GLU 6.A OE1 no hydrogen 2.977 N/A CYS 8.A SG GLU 6.A O no hydrogen 3.542 N/A CYS 8.A SG GLU 6.A OE1 no hydrogen 3.335 N/A CYS 8.A SG ASN 25.A O no hydrogen 3.788 N/A GLY 10.A N GLU 30.A O no hydrogen 3.336 N/A ILE 13.A N GLN 34.A O no hydrogen 3.381 N/A ASN 16.A N ARG 14.A O no hydrogen 2.956 N/A ARG 19.A NE ASP 12.A O no hydrogen 3.266 N/A ARG 19.A NH2 ASP 12.A O no hydrogen 2.464 N/A LEU 20.A N LEU 17.A O no hydrogen 3.377 N/A LEU 23.A N LEU 20.A O no hydrogen 3.467 N/A CYS 26.A SG GLU 22.A O no hydrogen 4.036 N/A ILE 29.A N MET 56.A O no hydrogen 2.805 N/A GLU 30.A N CYS 8.A O no hydrogen 3.329 N/A GLY 31.A N THR 58.A OG1 no hydrogen 2.482 N/A LEU 33.A N TYR 60.A O no hydrogen 3.180 N/A ILE 35.A N LEU 62.A O no hydrogen 2.978 N/A LEU 37.A N PHE 64.A O no hydrogen 2.637 N/A MET 38.A N ARG 65.A O no hydrogen 2.841 N/A THR 41.A OG1 TYR 67.A O no hydrogen 2.504 N/A ARG 42.A NH1 THR 41.A O no hydrogen 3.180 N/A ASP 45.A N ARG 42.A O no hydrogen 3.207 N/A SER 50.A OG LEU 49.A O no hydrogen 2.990 N/A SER 50.A OG ASP 74.A O no hydrogen 2.724 N/A PHE 51.A N LEU 75.A O no hydrogen 3.178 N/A ILE 55.A N SER 27.A O no hydrogen 2.605 N/A THR 58.A N ILE 29.A O no hydrogen 3.179 N/A THR 58.A OG1 ILE 29.A O no hydrogen 3.042 N/A THR 58.A OG1 GLY 31.A O no hydrogen 2.847 N/A ASP 59.A N GLY 31.A O no hydrogen 2.962 N/A LEU 61.A N ALA 92.A O no hydrogen 3.003 N/A LEU 62.A N LEU 33.A O no hydrogen 3.130 N/A LEU 63.A N VAL 94.A O no hydrogen 2.947 N/A ARG 65.A N PHE 96.A O no hydrogen 3.471 N/A TYR 67.A N MET 38.A O no hydrogen 3.235 N/A SER 71.A OG GLU 103.A O no hydrogen 3.502 N/A SER 71.A OG LEU 104.A O no hydrogen 2.834 N/A LEU 72.A N LEU 104.A O no hydrogen 3.188 N/A LEU 75.A N LEU 72.A O no hydrogen 3.048 N/A PHE 76.A N LEU 72.A O no hydrogen 3.199 N/A ASN 78.A ND2 PRO 52.A O no hydrogen 2.611 N/A THR 80.A N ILE 55.A O no hydrogen 3.017 N/A THR 80.A OG1 ILE 55.A O no hydrogen 3.032 N/A ARG 83.A N ILE 57.A O no hydrogen 2.986 N/A ARG 83.A NH1 ARG 224.A O no hydrogen 3.548 N/A GLY 84.A N THR 58.A O no hydrogen 2.517 N/A ARG 86.A N ASP 59.A OD1 no hydrogen 2.801 N/A ARG 86.A NE ASP 59.A OD1 no hydrogen 3.546 N/A ARG 86.A NE ASP 59.A OD2 no hydrogen 3.453 N/A PHE 88.A N TYR 91.A O no hydrogen 2.756 N/A TYR 91.A N PHE 88.A O no hydrogen 3.025 N/A ALA 92.A N SER 116.A O no hydrogen 3.059 N/A VAL 94.A N LEU 61.A O no hydrogen 3.225 N/A ILE 95.A N ARG 118.A O no hydrogen 3.200 N/A PHE 96.A N LEU 63.A O no hydrogen 3.014 N/A GLU 97.A N GLU 120.A O no hydrogen 3.401 N/A MET 98.A N ASN 122.A OD1 no hydrogen 2.698 N/A LYS 102.A N GLU 70.A O no hydrogen 3.208 N/A GLU 103.A N GLU 70.A O no hydrogen 3.364 N/A ASN 108.A ND2 PRO 77.A O no hydrogen 2.459 N/A ILE 112.A N ILE 136.A O no hydrogen 3.322 N/A THR 113.A N ILE 82.A O no hydrogen 3.202 N/A ARG 114.A N ARG 83.A O no hydrogen 3.223 N/A SER 116.A OG ASP 142.A O no hydrogen 3.551 N/A VAL 117.A N ASN 143.A OD1 no hydrogen 3.344 N/A ARG 118.A N LEU 93.A O no hydrogen 3.271 N/A ARG 118.A NE GLU 120.A OE1 no hydrogen 2.437 N/A ARG 118.A NH1 TYR 91.A OH no hydrogen 3.178 N/A ARG 118.A NH2 GLU 120.A OE1 no hydrogen 3.097 N/A GLU 120.A N ILE 95.A O no hydrogen 3.234 N/A LYS 121.A N LEU 147.A O no hydrogen 3.144 N/A ASN 122.A N ASN 148.A OD1 no hydrogen 2.931 N/A CYS 126.A N LYS 102.A O no hydrogen 2.755 N/A TYR 127.A N ASP 157.A OD1 no hydrogen 3.281 N/A TYR 127.A OH ILE 158.A O no hydrogen 2.482 N/A LEU 128.A N ASP 150.A OD2 no hydrogen 2.590 N/A THR 130.A OG1 CYS 177.A O no hydrogen 2.922 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 3.413 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 3.280 N/A ILE 136.A N TRP 133.A O no hydrogen 3.259 N/A LEU 137.A N TRP 133.A O no hydrogen 3.086 N/A SER 139.A OG ASP 142.A OD2 no hydrogen 2.924 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.752 N/A ASN 143.A ND2 VAL 140.A O no hydrogen 3.470 N/A LEU 147.A N ASP 151.A OD2 no hydrogen 3.118 N/A ASN 148.A N ASP 151.A OD1 no hydrogen 2.980 N/A ASN 148.A ND2 ILE 119.A O no hydrogen 3.607 N/A LYS 149.A NZ GLU 124.A OE1 no hydrogen 3.173 N/A LYS 149.A NZ GLU 124.A OE2 no hydrogen 2.820 N/A GLU 153.A N LYS 149.A O no hydrogen 3.180 N/A CYS 155.A SG ASP 150.A OD1 no hydrogen 3.501 N/A CYS 159.A SG ASP 157.A O no hydrogen 4.029 N/A CYS 164.A SG PRO 160.A O no hydrogen 3.352 N/A CYS 164.A SG ARG 176.A O no hydrogen 3.575 N/A GLY 171.A N ASN 170.A OD1 no hydrogen 2.801 N/A ARG 176.A N PRO 165.A O no hydrogen 3.269 N/A ARG 176.A NE THR 167.A OG1 no hydrogen 2.601 N/A ARG 176.A NH2 THR 167.A O no hydrogen 2.634 N/A CYS 177.A N THR 130.A O no hydrogen 2.879 N/A CYS 177.A SG GLU 175.A O no hydrogen 3.372 N/A TRP 178.A N HIS 182.A O no hydrogen 3.341 N/A THR 179.A OG1 HIS 182.A ND1 no hydrogen 2.532 N/A SER 181.A N THR 179.A OG1 no hydrogen 3.031 N/A HIS 182.A ND1 THR 179.A OG1 no hydrogen 2.532 N/A CYS 183.A SG PRO 160.A O no hydrogen 3.875 N/A GLN 184.A N ARG 176.A O no hydrogen 3.211 N/A GLN 184.A NE2 ASP 132.A O no hydrogen 3.486 N/A LYS 185.A NZ CYS 196.A O no hydrogen 2.869 N/A LYS 192.A NZ ILE 190.A O no hydrogen 2.478 N/A THR 197.A N LEU 201.A O no hydrogen 3.113 N/A THR 197.A OG1 CYS 211.A O no hydrogen 3.350 N/A ALA 198.A N THR 197.A OG1 no hydrogen 2.641 N/A GLY 200.A N THR 197.A O no hydrogen 3.270 N/A CYS 203.A N GLY 195.A O no hydrogen 3.341 N/A CYS 203.A SG GLY 195.A O no hydrogen 3.419 N/A SER 205.A OG GLU 206.A OE2 no hydrogen 3.107 N/A CYS 207.A N HIS 204.A O no hydrogen 3.222 N/A CYS 207.A SG ASP 216.A O no hydrogen 3.343 N/A ASN 210.A N LEU 208.A O no hydrogen 3.230 N/A CYS 211.A SG GLN 213.A O no hydrogen 3.359 N/A SER 212.A N LYS 219.A O no hydrogen 3.301 N/A SER 212.A OG GLN 213.A OE1 no hydrogen 2.450 N/A THR 218.A N ASP 216.A OD1 no hydrogen 3.458 N/A THR 218.A OG1 ASP 216.A OD1 no hydrogen 2.813 N/A CYS 220.A SG ASP 216.A O no hydrogen 3.563 N/A CYS 220.A SG PRO 217.A O no hydrogen 3.683 N/A VAL 221.A N ASN 210.A O no hydrogen 3.044 N/A CYS 223.A N TYR 3.A OH no hydrogen 3.284 N/A CYS 223.A SG PHE 226.A O no hydrogen 3.366 N/A ARG 224.A N GLU 206.A O no hydrogen 3.111 N/A LEU 228.A N ARG 231.A O no hydrogen 3.099 N/A ARG 231.A N LEU 228.A O no hydrogen 3.082 N/A VAL 233.A N PHE 226.A O no hydrogen 3.060 N/A THR 235.A OG1 HIS 242.A NE2 no hydrogen 3.144 N/A CYS 236.A N HIS 242.A NE2 no hydrogen 3.487 N/A TYR 241.A N VAL 249.A O no hydrogen 2.498 N/A HIS 242.A N ASN 274.A O no hydrogen 2.719 N/A HIS 242.A ND1 ASN 274.A O no hydrogen 2.444 N/A HIS 242.A NE2 THR 235.A OG1 no hydrogen 3.144 N/A PHE 243.A N ARG 247.A O no hydrogen 3.068 N/A TRP 246.A N PHE 243.A O no hydrogen 3.475 N/A ARG 247.A N PHE 243.A O no hydrogen 3.430 N/A CYS 248.A N TYR 227.A O no hydrogen 2.728 N/A VAL 249.A N TYR 241.A O no hydrogen 2.888 N/A CYS 254.A SG VAL 270.A O no hydrogen 3.624 N/A GLN 255.A N PHE 251.A O no hydrogen 2.920 N/A ASP 256.A N SER 252.A O no hydrogen 2.838 N/A LEU 257.A N PHE 253.A O no hydrogen 2.943 N/A HIS 258.A N CYS 254.A O no hydrogen 2.914 N/A HIS 259.A N GLN 255.A O no hydrogen 2.908 N/A HIS 259.A ND1 GLN 255.A O no hydrogen 2.666 N/A LYS 260.A N ASP 256.A O no hydrogen 2.871 N/A CYS 261.A N HIS 258.A O no hydrogen 3.322 N/A LYS 262.A N HIS 258.A O no hydrogen 2.915 N/A ASN 263.A N HIS 259.A O no hydrogen 3.322 N/A ARG 265.A N SER 264.A OG no hydrogen 2.615 N/A CYS 266.A SG CYS 261.A O no hydrogen 3.968 N/A VAL 270.A N ILE 277.A O no hydrogen 2.848 N/A ILE 271.A N LEU 291.A O no hydrogen 3.165 N/A HIS 272.A N LYS 275.A O no hydrogen 3.063 N/A LYS 275.A N HIS 272.A O no hydrogen 3.093 N/A CYS 276.A N HIS 242.A O no hydrogen 2.727 N/A CYS 276.A SG VAL 270.A O no hydrogen 4.031 N/A ILE 277.A N VAL 270.A O no hydrogen 2.903 N/A CYS 280.A SG THR 285.A O no hydrogen 3.369 N/A SER 282.A OG THR 326.A OG1 no hydrogen 3.344 N/A GLY 283.A N CYS 300.A O no hydrogen 2.659 N/A TYR 284.A N PRO 281.A O no hydrogen 3.326 N/A TYR 284.A OH HIS 272.A NE2 no hydrogen 3.398 N/A THR 285.A N THR 294.A O no hydrogen 3.141 N/A THR 285.A OG1 MET 286.A O no hydrogen 3.550 N/A MET 286.A N THR 285.A OG1 no hydrogen 2.508 N/A ASN 287.A ND2 ASN 290.A O no hydrogen 3.600 N/A ASN 287.A ND2 ASN 290.A OD1 no hydrogen 2.665 N/A SER 289.A OG ASN 290.A OD1 no hydrogen 3.111 N/A ASN 290.A N ASN 290.A OD1 no hydrogen 2.542 N/A CYS 293.A N ILE 271.A O no hydrogen 3.121 N/A CYS 293.A SG ILE 271.A O no hydrogen 3.706 N/A THR 294.A OG1 ASN 287.A OD1 no hydrogen 2.847 N/A CYS 296.A N GLY 283.A O no hydrogen 2.590 N/A CYS 296.A SG LEU 297.A O no hydrogen 3.812 N/A CYS 300.A SG TYR 284.A O no hydrogen 3.986 N/A LYS 302.A N SER 282.A OG no hydrogen 2.641 N/A LYS 302.A NZ GLU 279.A OE1 no hydrogen 2.757 N/A CYS 304.A N VAL 327.A O no hydrogen 3.095 N/A LYS 311.A N SER 331.A O no hydrogen 3.235 N/A LYS 311.A NZ SER 318.A O no hydrogen 3.508 N/A ILE 313.A N ILE 333.A O no hydrogen 2.987 N/A ASP 314.A N SER 318.A OG no hydrogen 3.052 N/A SER 315.A N SER 318.A OG no hydrogen 3.118 N/A SER 315.A OG ASN 90.A OD1 no hydrogen 2.951 N/A VAL 316.A N SER 315.A OG no hydrogen 2.596 N/A THR 317.A OG1 LEU 87.A O no hydrogen 3.486 N/A SER 318.A N SER 315.A O no hydrogen 3.311 N/A SER 318.A OG ASP 314.A OD2 no hydrogen 3.267 N/A SER 318.A OG SER 315.A O no hydrogen 2.793 N/A ALA 319.A N SER 315.A O no hydrogen 2.935 N/A GLN 320.A N VAL 316.A O no hydrogen 2.849 N/A GLN 320.A NE2 SER 85.A O no hydrogen 2.719 N/A THR 326.A N LYS 302.A O no hydrogen 2.991 N/A THR 326.A OG1 SER 282.A OG no hydrogen 3.344 N/A THR 326.A OG1 LYS 302.A O no hydrogen 2.394 N/A VAL 327.A N LYS 302.A O no hydrogen 3.338 N/A ILE 328.A N GLU 355.A O no hydrogen 3.008 N/A ASN 329.A N CYS 304.A O no hydrogen 3.162 N/A GLY 330.A N ILE 328.A O no hydrogen 3.141 N/A GLY 330.A N SER 357.A OG no hydrogen 2.556 N/A SER 331.A N GLY 309.A O no hydrogen 2.749 N/A LEU 332.A N TYR 359.A O no hydrogen 3.369 N/A ILE 333.A N LYS 311.A O no hydrogen 3.021 N/A ILE 334.A N LYS 361.A O no hydrogen 2.973 N/A ASN 335.A N ILE 313.A O no hydrogen 2.863 N/A ARG 337.A NH1 ARG 364.A O no hydrogen 2.594 N/A ALA 343.A N ASN 341.A OD1 no hydrogen 3.341 N/A LEU 346.A N LEU 342.A O no hydrogen 3.251 N/A GLU 347.A N ALA 343.A O no hydrogen 2.886 N/A ALA 348.A N ALA 344.A O no hydrogen 2.925 N/A ASN 349.A N GLU 345.A O no hydrogen 3.051 N/A ASN 349.A ND2 GLU 345.A O no hydrogen 2.489 N/A LEU 350.A N LEU 346.A O no hydrogen 2.958 N/A GLU 354.A N THR 326.A O no hydrogen 2.716 N/A GLU 355.A N THR 326.A O no hydrogen 3.107 N/A ILE 356.A N LEU 379.A O no hydrogen 3.103 N/A SER 357.A N ILE 328.A O no hydrogen 3.131 N/A SER 357.A OG ILE 328.A O no hydrogen 2.724 N/A SER 357.A OG GLY 330.A O no hydrogen 3.523 N/A GLY 358.A N GLY 330.A O no hydrogen 2.894 N/A TYR 359.A N SER 331.A OG no hydrogen 3.152 N/A LYS 361.A N LEU 332.A O no hydrogen 3.169 N/A ILE 362.A N TYR 393.A O no hydrogen 2.837 N/A ARG 363.A N ILE 334.A O no hydrogen 3.427 N/A ARG 364.A N LEU 395.A O no hydrogen 2.909 N/A SER 365.A OG ILE 336.A O no hydrogen 3.553 N/A SER 370.A OG SER 372.A OG no hydrogen 2.852 N/A LEU 371.A N GLN 402.A O no hydrogen 3.431 N/A SER 372.A N SER 370.A OG no hydrogen 3.064 N/A SER 372.A OG SER 370.A OG no hydrogen 2.852 N/A ARG 375.A NE GLU 347.A OE2 no hydrogen 3.277 N/A ARG 378.A N GLU 354.A O no hydrogen 3.162 N/A ARG 378.A NE GLU 354.A OE1 no hydrogen 2.689 N/A ARG 378.A NH2 GLU 354.A OE1 no hydrogen 2.951 N/A ILE 380.A N THR 412.A O no hydrogen 3.249 N/A ARG 381.A N ILE 356.A O no hydrogen 2.857 N/A ARG 381.A NE GLU 383.A OE2 no hydrogen 2.590 N/A ARG 381.A NH1 GLU 355.A OE2 no hydrogen 2.526 N/A GLY 382.A N GLY 358.A O no hydrogen 3.163 N/A GLU 383.A N SER 357.A O no hydrogen 2.905 N/A GLU 386.A N TYR 390.A O no hydrogen 3.231 N/A TYR 390.A N GLU 386.A O no hydrogen 3.333 N/A TYR 390.A OH ASP 448.A OD1 no hydrogen 2.750 N/A SER 391.A N LYS 417.A O no hydrogen 3.220 N/A SER 391.A OG GLN 415.A O no hydrogen 2.872 N/A SER 391.A OG LYS 417.A O no hydrogen 3.341 N/A TYR 393.A N LEU 360.A O no hydrogen 3.353 N/A LEU 395.A N ILE 362.A O no hydrogen 3.268 N/A ASP 396.A N HIS 421.A O no hydrogen 3.060 N/A ASN 397.A N ASN 423.A OD1 no hydrogen 3.138 N/A GLN 398.A N SER 365.A O no hydrogen 3.320 N/A ASN 399.A ND2 TYR 366.A O no hydrogen 3.133 N/A ARG 401.A N VAL 369.A O no hydrogen 3.304 N/A SER 407.A OG ASP 405.A OD2 no hydrogen 3.397 N/A LYS 408.A N ASP 405.A O no hydrogen 3.403 N/A LYS 408.A NZ HIS 409.A ND1 no hydrogen 3.531 N/A HIS 409.A N ASP 405.A O no hydrogen 2.952 N/A THR 412.A N ARG 378.A O no hydrogen 2.656 N/A THR 414.A N ILE 380.A O no hydrogen 3.204 N/A LYS 417.A N ASN 389.A O no hydrogen 2.979 N/A LYS 417.A NZ ASP 448.A OD2 no hydrogen 3.336 N/A PHE 420.A N ASP 448.A O no hydrogen 3.326 N/A HIS 421.A N ALA 394.A O no hydrogen 2.984 N/A TYR 422.A N THR 453.A OG1 no hydrogen 3.148 N/A ASN 423.A N ASN 454.A OD1 no hydrogen 3.306 N/A ASN 423.A ND2 ALA 394.A O no hydrogen 3.630 N/A LEU 426.A N ASN 423.A O no hydrogen 3.245 N/A ILE 431.A N CYS 427.A O no hydrogen 3.048 N/A HIS 432.A N LEU 428.A O no hydrogen 2.869 N/A HIS 432.A ND1 LEU 428.A O no hydrogen 2.499 N/A LYS 433.A N SER 429.A O no hydrogen 2.866 N/A MET 434.A N GLU 430.A O no hydrogen 2.999 N/A GLU 435.A N ILE 431.A O no hydrogen 2.955 N/A GLU 436.A N HIS 432.A O no hydrogen 2.879 N/A VAL 437.A N LYS 433.A O no hydrogen 2.948 N/A SER 438.A N MET 434.A O no hydrogen 2.873 N/A SER 438.A OG MET 434.A O no hydrogen 2.764 N/A SER 438.A OG THR 440.A OG1 no hydrogen 3.243 N/A GLY 439.A N GLU 435.A O no hydrogen 3.253 N/A THR 440.A OG1 SER 438.A OG no hydrogen 3.243 N/A LYS 441.A NZ GLU 436.A OE2 no hydrogen 2.671 N/A GLN 444.A N GLN 444.A OE1 no hydrogen 2.676 N/A GLU 445.A N ASP 448.A OD2 no hydrogen 2.986 N/A ALA 450.A N PHE 420.A O no hydrogen 2.971 N/A ASN 454.A ND2 ALA 450.A O no hydrogen 3.034 N/A GLN 457.A N PRO 424.A O no hydrogen 3.369 N/A CYS 460.A SG ALA 458.A O no hydrogen 3.722 N/A ASN 462.A ND2 ASN 462.A O no hydrogen 2.867 N/A LEU 465.A N LYS 565.A O no hydrogen 2.857 N/A SER 468.A N ARG 480.A O no hydrogen 3.116 N/A ARG 471.A N LEU 478.A O no hydrogen 3.283 N/A ARG 471.A NE TYR 469.A OH no hydrogen 2.674 N/A SER 473.A OG LYS 476.A O no hydrogen 2.896 N/A LYS 476.A N SER 473.A OG no hydrogen 2.863 N/A LYS 476.A NZ ASP 475.A OD1 no hydrogen 3.145 N/A LYS 476.A NZ ASP 475.A OD2 no hydrogen 3.078 N/A ILE 477.A N MET 536.A O no hydrogen 2.954 N/A LEU 478.A N ARG 471.A O no hydrogen 2.929 N/A LEU 479.A N TRP 534.A O no hydrogen 3.102 N/A GLU 482.A N LYS 466.A O no hydrogen 3.421 N/A ARG 490.A NE ASP 488.A OD1 no hydrogen 3.235 N/A ARG 490.A NH2 ASP 488.A OD1 no hydrogen 2.475 N/A ASP 491.A N ASP 488.A O no hydrogen 3.211 N/A LEU 493.A N LEU 552.A O no hydrogen 3.245 N/A PHE 495.A N ILE 517.A O no hydrogen 3.328 N/A MET 496.A N LYS 550.A O no hydrogen 2.668 N/A PHE 498.A N PHE 548.A O no hydrogen 3.317 N/A TYR 499.A N THR 513.A O no hydrogen 3.032 N/A LYS 500.A N ALA 546.A O no hydrogen 3.202 N/A ALA 502.A N GLN 544.A O no hydrogen 2.682 N/A GLN 505.A NE2 GLN 544.A OE1 no hydrogen 3.065 N/A THR 508.A OG1 GLU 509.A O no hydrogen 3.331 N/A THR 513.A OG1 TYR 499.A O no hydrogen 3.405 N/A ILE 517.A N PHE 495.A O no hydrogen 3.125 N/A SER 523.A OG SER 523.A O no hydrogen 2.518 N/A SER 523.A OG ASP 525.A OD1 no hydrogen 3.522 N/A TRP 534.A N LEU 479.A O no hydrogen 3.024 N/A MET 536.A N ILE 477.A O no hydrogen 2.785 N/A LYS 540.A N TYR 545.A OH no hydrogen 3.240 N/A LYS 540.A NZ SER 602.A O no hydrogen 3.032 N/A LYS 540.A NZ ASP 603.A OD1 no hydrogen 2.494 N/A THR 543.A N THR 573.A OG1 no hydrogen 3.013 N/A THR 543.A OG1 LYS 540.A O no hydrogen 3.480 N/A THR 543.A OG1 PRO 541.A O no hydrogen 3.570 N/A GLN 544.A NE2 ALA 502.A O no hydrogen 3.340 N/A TYR 545.A N VAL 571.A O no hydrogen 3.304 N/A ALA 546.A N LYS 500.A O no hydrogen 2.552 N/A ILE 547.A N ILE 569.A O no hydrogen 2.923 N/A VAL 549.A N SER 566.A OG no hydrogen 2.542 N/A LYS 550.A N MET 496.A O no hydrogen 3.390 N/A THR 551.A N ALA 564.A O no hydrogen 3.107 N/A THR 551.A OG1 ALA 564.A O no hydrogen 2.487 N/A LEU 552.A N GLY 494.A O no hydrogen 3.440 N/A THR 554.A OG1 ASP 491.A O no hydrogen 3.090 N/A SER 556.A OG PHE 555.A O no hydrogen 3.019 N/A GLU 558.A N GLU 558.A OE1 no hydrogen 2.798 N/A THR 561.A OG1 TYR 562.A O no hydrogen 3.081 N/A TYR 562.A N THR 561.A OG1 no hydrogen 2.485 N/A LYS 565.A N GLU 463.A O no hydrogen 3.252 N/A SER 566.A N VAL 549.A O no hydrogen 3.012 N/A SER 566.A OG VAL 549.A O no hydrogen 3.037 N/A ILE 569.A N ILE 547.A O no hydrogen 2.999 N/A GLN 572.A NE2 GLN 544.A OE1 no hydrogen 2.913 N/A THR 573.A OG1 LYS 540.A O no hydrogen 3.243 N/A THR 573.A OG1 THR 543.A O no hydrogen 3.521 N/A ALA 575.A N ASP 574.A OD1 no hydrogen 2.932 N/A SER 579.A OG SER 602.A OG no hydrogen 2.746 N/A SER 588.A OG ARG 717.A O no hydrogen 2.999 N/A SER 591.A N SER 590.A OG no hydrogen 2.490 N/A SER 592.A OG LEU 686.A O no hydrogen 3.335 N/A ILE 594.A N ILE 683.A O no hydrogen 2.972 N/A ILE 595.A N VAL 587.A O no hydrogen 3.131 N/A LEU 596.A N LEU 681.A O no hydrogen 2.830 N/A LYS 599.A N LEU 582.A O no hydrogen 3.493 N/A LYS 599.A NZ PRO 600.A O no hydrogen 2.976 N/A SER 602.A N SER 579.A OG no hydrogen 3.154 N/A SER 602.A OG SER 579.A OG no hydrogen 2.746 N/A THR 609.A N CYS 699.A O no hydrogen 3.042 N/A THR 609.A OG1 HIS 610.A ND1 no hydrogen 3.252 N/A THR 609.A OG1 CYS 699.A O no hydrogen 2.424 N/A TYR 611.A N VAL 675.A O no hydrogen 3.069 N/A TYR 611.A OH GLU 679.A OE2 no hydrogen 2.733 N/A LEU 612.A N GLN 697.A O no hydrogen 2.823 N/A PHE 614.A N GLU 695.A O no hydrogen 2.750 N/A TRP 615.A N PRO 671.A O no hydrogen 3.352 N/A GLN 618.A N GLY 691.A O no hydrogen 3.223 N/A GLN 618.A NE2 GLU 616.A O no hydrogen 2.775 N/A GLU 623.A N GLU 623.A OE1 no hydrogen 3.135 N/A PHE 625.A N SER 622.A O no hydrogen 3.424 N/A CYS 630.A N ASP 628.A OD1 no hydrogen 3.293 N/A ARG 639.A NH1 ASP 621.A OD2 no hydrogen 3.399 N/A LEU 645.A N ILE 641.A O no hydrogen 2.963 N/A GLU 646.A N LEU 642.A O no hydrogen 2.901 N/A GLU 647.A N LYS 643.A O no hydrogen 2.870 N/A SER 648.A N GLU 644.A O no hydrogen 2.978 N/A SER 648.A OG GLU 644.A O no hydrogen 3.477 N/A SER 648.A OG LEU 645.A O no hydrogen 2.708 N/A SER 649.A N LEU 645.A O no hydrogen 2.979 N/A PHE 650.A N GLU 646.A O no hydrogen 2.831 N/A ARG 651.A N GLU 647.A O no hydrogen 2.977 N/A LYS 652.A N SER 648.A O no hydrogen 3.016 N/A LYS 652.A NZ ASP 491.A OD1 no hydrogen 3.071 N/A LYS 652.A NZ ASP 491.A OD2 no hydrogen 3.437 N/A THR 653.A N SER 649.A O no hydrogen 2.868 N/A THR 653.A OG1 SER 649.A O no hydrogen 2.382 N/A PHE 654.A N PHE 650.A O no hydrogen 2.963 N/A GLU 655.A N ARG 651.A O no hydrogen 3.021 N/A ASP 656.A N LYS 652.A O no hydrogen 2.919 N/A TYR 657.A N THR 653.A O no hydrogen 2.936 N/A LEU 658.A N PHE 654.A O no hydrogen 2.946 N/A HIS 659.A N GLU 655.A O no hydrogen 3.011 N/A ASN 660.A N ASP 656.A O no hydrogen 3.008 N/A VAL 661.A N TYR 657.A O no hydrogen 2.935 N/A VAL 662.A N LEU 658.A O no hydrogen 2.987 N/A PHE 663.A N HIS 659.A O no hydrogen 3.011 N/A ARG 670.A NH1 GLU 695.A OE1 no hydrogen 2.978 N/A ARG 670.A NH2 GLU 695.A OE1 no hydrogen 2.618 N/A GLU 673.A N VAL 613.A O no hydrogen 3.373 N/A LYS 674.A NZ HIS 610.A ND1 no hydrogen 3.172 N/A LYS 674.A NZ ASP 702.A OD2 no hydrogen 2.535 N/A LYS 678.A NZ VAL 676.A O no hydrogen 2.519 N/A LEU 681.A N LEU 596.A O no hydrogen 3.255 N/A ILE 683.A N ILE 594.A O no hydrogen 2.684 N/A LEU 686.A N SER 592.A O no hydrogen 3.082 N/A LEU 686.A N SER 592.A OG no hydrogen 3.261 N/A PHE 689.A N THR 718.A OG1 no hydrogen 2.635 N/A TYR 692.A N ALA 716.A O no hydrogen 3.232 N/A ARG 693.A N GLU 616.A O no hydrogen 3.206 N/A ILE 694.A N VAL 714.A O no hydrogen 3.005 N/A GLU 695.A N PHE 614.A O no hydrogen 3.194 N/A LEU 696.A N ALA 712.A O no hydrogen 3.128 N/A GLN 697.A N LEU 612.A O no hydrogen 3.095 N/A CYS 699.A N HIS 610.A O no hydrogen 3.150 N/A CYS 699.A SG HIS 610.A NE2 no hydrogen 3.193 N/A ASN 700.A N ASN 700.A OD1 no hydrogen 2.566 N/A ASN 700.A ND2 THR 576.A O no hydrogen 3.075 N/A ASN 700.A ND2 ASN 605.A O no hydrogen 3.671 N/A ARG 707.A N GLN 701.A O no hydrogen 2.992 N/A ARG 707.A NH1 THR 576.A O no hydrogen 2.447 N/A SER 709.A OG PRO 578.A O no hydrogen 2.815 N/A SER 709.A OG SER 579.A O no hydrogen 2.450 N/A SER 709.A OG VAL 710.A O no hydrogen 3.309 N/A ALA 712.A N LEU 696.A O no hydrogen 3.004 N/A VAL 714.A N ILE 694.A O no hydrogen 3.202 N/A SER 715.A OG TYR 692.A O no hydrogen 3.472 N/A ARG 717.A NH2 GLU 620.A OE2 no hydrogen 3.410 N/A THR 718.A OG1 SER 591.A O no hydrogen 3.262 N/A THR 718.A OG1 MET 719.A O no hydrogen 3.119 N/A MET 719.A N SER 590.A O no hydrogen 3.247 N/A GLU 721.A N ASN 752.A OD1 no hydrogen 2.870 N/A THR 732.A N MET 744.A O no hydrogen 2.680 N/A THR 732.A OG1 MET 744.A O no hydrogen 3.275 N/A GLU 734.A N HIS 742.A O no hydrogen 2.554 N/A PHE 736.A N VAL 740.A O no hydrogen 2.546 N/A GLU 737.A N GLU 737.A OE1 no hydrogen 2.857 N/A ASN 739.A ND2 THR 819.A O no hydrogen 2.903 N/A VAL 741.A N LEU 787.A O no hydrogen 3.209 N/A HIS 742.A N GLU 734.A O no hydrogen 2.850 N/A HIS 742.A NE2 GLU 782.A O no hydrogen 2.459 N/A LEU 743.A N CYS 785.A O no hydrogen 2.652 N/A MET 744.A N THR 732.A O no hydrogen 2.620 N/A ASN 752.A N ASP 725.A OD1 no hydrogen 2.759 N/A ASN 752.A ND2 GLU 721.A O no hydrogen 3.188 N/A ASN 752.A ND2 ASP 725.A OD2 no hydrogen 3.069 N/A LEU 754.A N ASN 752.A O no hydrogen 3.061 N/A VAL 756.A N THR 802.A O no hydrogen 3.094 N/A LEU 757.A N THR 802.A O no hydrogen 3.159 N/A TYR 758.A N VAL 774.A O no hydrogen 2.799 N/A GLU 759.A N GLU 759.A OE1 no hydrogen 2.917 N/A GLU 759.A N ARG 800.A O no hydrogen 3.052 N/A VAL 760.A N LEU 772.A O no hydrogen 3.260 N/A SER 761.A N ARG 798.A O no hydrogen 2.863 N/A SER 761.A OG SER 761.A O no hydrogen 2.470 N/A SER 761.A OG ARG 798.A O no hydrogen 2.968 N/A TYR 762.A N LEU 770.A O no hydrogen 3.385 N/A ARG 763.A N SER 796.A O no hydrogen 2.997 N/A ARG 764.A NE ASP 767.A OD2 no hydrogen 2.637 N/A ARG 764.A NH1 PRO 792.A O no hydrogen 2.469 N/A ARG 764.A NH2 ASP 767.A OD1 no hydrogen 3.514 N/A TYR 765.A N ASN 794.A O no hydrogen 3.238 N/A ASP 767.A N ARG 764.A O no hydrogen 3.237 N/A LEU 770.A N TYR 762.A O no hydrogen 3.328 N/A LEU 772.A N VAL 760.A O no hydrogen 3.372 N/A VAL 774.A N TYR 758.A O no hydrogen 3.047 N/A SER 775.A OG ASP 628.A OD1 no hydrogen 3.291 N/A ARG 776.A NE PHE 625.A O no hydrogen 3.528 N/A ARG 776.A NH1 ILE 755.A O no hydrogen 3.446 N/A HIS 778.A N SER 775.A OG no hydrogen 3.310 N/A PHE 779.A N SER 775.A O no hydrogen 3.066 N/A ALA 780.A N ARG 776.A O no hydrogen 2.928 N/A LEU 781.A N LYS 777.A O no hydrogen 2.851 N/A GLU 782.A N HIS 778.A O no hydrogen 2.933 N/A GLY 784.A N PHE 779.A O no hydrogen 3.224 N/A CYS 785.A N LEU 743.A O no hydrogen 3.293 N/A ARG 786.A N GLU 782.A OE1 no hydrogen 2.707 N/A LEU 787.A N VAL 741.A O no hydrogen 2.769 N/A ARG 788.A NH1 GLU 782.A OE2 no hydrogen 2.849 N/A ARG 788.A NH2 GLU 782.A OE2 no hydrogen 2.942 N/A SER 791.A OG TYR 795.A OH no hydrogen 3.149 N/A TYR 795.A N PHE 816.A O no hydrogen 3.397 N/A TYR 795.A OH SER 791.A O no hydrogen 2.940 N/A SER 796.A N ARG 763.A O no hydrogen 2.752 N/A SER 796.A OG ARG 763.A O no hydrogen 3.509 N/A ARG 798.A N SER 761.A O no hydrogen 2.908 N/A ILE 799.A N THR 811.A OG1 no hydrogen 2.651 N/A ARG 800.A N GLU 759.A O no hydrogen 3.326 N/A ARG 800.A NE GLU 759.A OE2 no hydrogen 2.981 N/A ARG 800.A NH2 GLU 759.A OE2 no hydrogen 3.314 N/A THR 802.A N LEU 757.A O no hydrogen 2.928 N/A THR 802.A OG1 GLU 759.A OE1 no hydrogen 2.768 N/A THR 802.A OG1 GLU 759.A OE2 no hydrogen 2.932 N/A THR 802.A OG1 ASN 807.A OD1 no hydrogen 2.401 N/A SER 803.A N GLY 806.A O no hydrogen 2.568 N/A SER 803.A OG ASP 725.A OD2 no hydrogen 2.827 N/A SER 803.A OG GLY 806.A O no hydrogen 2.924 N/A LEU 804.A N LEU 754.A O no hydrogen 2.995 N/A GLY 806.A N SER 803.A OG no hydrogen 2.966 N/A GLY 808.A N ALA 801.A O no hydrogen 2.752 N/A SER 809.A OG ASP 726.A OD1 no hydrogen 3.067 N/A THR 811.A N ILE 799.A O no hydrogen 2.965 N/A THR 811.A OG1 ILE 799.A O no hydrogen 3.288 N/A THR 814.A OG1 VAL 731.A O no hydrogen 3.433 N/A TYR 821.A OH GLU 737.A O no hydrogen 2.427 N/A