Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5m5y_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NE GLU 8.A OE1 no hydrogen 3.123 N/A ARG 9.A NE ARG 5.A O no hydrogen 2.848 N/A GLU 10.A N THR 6.A O no hydrogen 3.015 N/A SER 11.A N LEU 7.A O no hydrogen 2.840 N/A ARG 12.A N GLU 8.A O no hydrogen 3.091 N/A ARG 12.A NH2 GLU 8.A OE2 no hydrogen 2.800 N/A PHE 13.A N ARG 9.A O no hydrogen 3.287 N/A ILE 14.A N GLU 10.A O no hydrogen 2.772 N/A ASN 15.A N SER 11.A O no hydrogen 3.021 N/A LYS 20.A N ASP 19.A OD1 no hydrogen 2.553 N/A SER 21.A OG ALA 22.A O no hydrogen 3.225 N/A LEU 26.A N PHE 23.A O no hydrogen 3.298 N/A GLU 28.A N PRO 24.A O no hydrogen 2.975 N/A ALA 29.A N LEU 26.A O no hydrogen 3.436 N/A GLN 31.A N GLU 28.A O no hydrogen 3.400 N/A ILE 34.A N VAL 30.A O no hydrogen 2.711 N/A GLY 35.A N GLN 31.A O no hydrogen 2.874 N/A SER 36.A N PRO 32.A O no hydrogen 3.093 N/A SER 36.A N HIS 33.A O no hydrogen 3.099 N/A PHE 37.A N HIS 33.A O no hydrogen 3.344 N/A ASN 38.A N ILE 34.A O no hydrogen 3.026 N/A ALA 39.A N GLY 35.A O no hydrogen 2.961 N/A ALA 39.A N SER 36.A O no hydrogen 3.159 N/A THR 41.A N ASN 38.A O no hydrogen 3.280 N/A GLU 42.A N ASN 38.A O no hydrogen 2.715 N/A GLY 47.A N PRO 44.A O no hydrogen 3.233 N/A LEU 48.A N LEU 40.A O no hydrogen 3.011 N/A GLY 52.A N LEU 48.A O no hydrogen 2.856 N/A VAL 53.A N LEU 49.A O no hydrogen 2.933 N/A ASP 55.A N LEU 51.A O no hydrogen 3.088 N/A ILE 61.A N LEU 79.A O no hydrogen 3.000 N/A ASP 63.A N ASN 77.A O no hydrogen 3.431 N/A LYS 65.A NZ ALA 416.A O no hydrogen 3.533 N/A SER 72.A OG ILE 69.A O no hydrogen 3.042 N/A TYR 74.A N SER 70.A O no hydrogen 3.133 N/A LYS 78.A N ASN 125.A OD1 no hydrogen 3.114 N/A LEU 79.A N ILE 61.A O no hydrogen 2.685 N/A SER 80.A N SER 123.A O no hydrogen 2.753 N/A SER 80.A OG GLU 58.A OE2 no hydrogen 2.259 N/A VAL 81.A N LYS 59.A O no hydrogen 3.098 N/A SER 82.A OG GLY 57.A O no hydrogen 3.175 N/A SER 82.A OG VAL 83.A O no hydrogen 3.507 N/A SER 87.A N LEU 117.A O no hydrogen 3.018 N/A LYS 90.A NZ ARG 148.A O no hydrogen 3.272 N/A SER 93.A N ARG 98.A O no hydrogen 3.298 N/A ASN 94.A N GLU 97.A OE2 no hydrogen 2.495 N/A ASN 94.A ND2 VAL 96.A O no hydrogen 2.945 N/A ARG 98.A NE SER 93.A O no hydrogen 2.624 N/A LYS 99.A NZ TYR 101.A OH no hydrogen 2.778 N/A SER 103.A OG LYS 163.A O no hydrogen 2.392 N/A SER 105.A N TYR 101.A O no hydrogen 2.825 N/A SER 105.A OG THR 110.A O no hydrogen 3.230 N/A ARG 106.A N PRO 102.A O no hydrogen 2.945 N/A ARG 106.A N SER 103.A O no hydrogen 3.358 N/A ARG 106.A NH1 GLU 179.A OE2 no hydrogen 3.073 N/A ARG 108.A N GLU 104.A O no hydrogen 2.984 N/A ARG 108.A NE GLU 104.A OE1 no hydrogen 3.480 N/A ARG 108.A NE GLU 104.A OE2 no hydrogen 2.831 N/A ARG 108.A NH2 GLU 104.A OE2 no hydrogen 2.418 N/A LEU 109.A N ARG 106.A O no hydrogen 3.220 N/A TYR 112.A OH HIS 150.A ND1 no hydrogen 3.158 N/A ARG 113.A NH1 THR 110.A OG1 no hydrogen 2.746 N/A ARG 113.A NH1 SER 111.A O no hydrogen 3.314 N/A ARG 113.A NH1 SER 111.A OG no hydrogen 3.319 N/A GLY 114.A N LEU 140.A O no hydrogen 2.687 N/A LEU 116.A N GLY 138.A O no hydrogen 3.313 N/A LEU 117.A N SER 87.A O no hydrogen 3.098 N/A LEU 118.A N ARG 135.A O no hydrogen 2.944 N/A LYS 119.A N GLN 85.A O no hydrogen 3.138 N/A LEU 120.A N GLU 133.A O no hydrogen 2.948 N/A LYS 121.A N SER 82.A O no hydrogen 2.687 N/A SER 123.A N SER 80.A O no hydrogen 2.564 N/A SER 123.A OG ASN 130.A OD1 no hydrogen 2.489 N/A VAL 124.A N GLU 129.A O no hydrogen 3.294 N/A ASN 125.A N LYS 78.A O no hydrogen 3.346 N/A GLU 128.A N VAL 124.A O no hydrogen 2.577 N/A LEU 131.A N TRP 122.A O no hydrogen 2.982 N/A ARG 135.A N LEU 118.A O no hydrogen 3.051 N/A ARG 135.A NH2 GLU 434.A OE2 no hydrogen 2.425 N/A VAL 142.A N TYR 112.A O no hydrogen 3.120 N/A ASN 147.A N SER 146.A OG no hydrogen 2.594 N/A ASN 147.A ND2 ASN 147.A O no hydrogen 2.502 N/A ARG 148.A NE ALA 89.A O no hydrogen 2.662 N/A CYS 149.A SG MET 143.A O no hydrogen 3.218 N/A CYS 149.A SG SER 146.A O no hydrogen 3.712 N/A HIS 150.A ND1 TYR 112.A OH no hydrogen 3.158 N/A SER 155.A N GLU 158.A OE2 no hydrogen 2.866 N/A SER 155.A OG LYS 18.A O no hydrogen 3.149 N/A LEU 159.A N SER 155.A O no hydrogen 3.054 N/A VAL 160.A N TYR 157.A O no hydrogen 3.119 N/A HIS 162.A N LEU 159.A O no hydrogen 3.211 N/A HIS 162.A ND1 GLU 158.A O no hydrogen 2.543 N/A LYS 163.A N VAL 160.A O no hydrogen 3.338 N/A GLY 171.A N LEU 144.A O no hydrogen 3.072 N/A TYR 172.A OH GLU 168.A OE2 no hydrogen 2.326 N/A PHE 173.A N LYS 180.A O no hydrogen 3.004 N/A VAL 175.A N ILE 178.A O no hydrogen 3.067 N/A ILE 178.A N VAL 175.A O no hydrogen 3.144 N/A LYS 180.A N PHE 173.A O no hydrogen 3.143 N/A LEU 181.A N VAL 465.A O no hydrogen 2.866 N/A ARG 183.A N TYR 463.A O no hydrogen 2.489 N/A VAL 187.A N GLU 380.A O no hydrogen 2.780 N/A ASN 191.A N ARG 216.A O no hydrogen 2.928 N/A MET 194.A N GLN 214.A O no hydrogen 2.915 N/A ILE 196.A N GLY 212.A O no hydrogen 2.944 N/A PHE 201.A N ARG 198.A O no hydrogen 3.490 N/A ALA 202.A N PRO 199.A O no hydrogen 3.155 N/A SER 207.A OG ALA 206.A O no hydrogen 2.451 N/A SER 209.A N TYR 231.A O no hydrogen 3.094 N/A ILE 213.A N LEU 229.A O no hydrogen 2.910 N/A GLN 214.A N MET 194.A O no hydrogen 3.065 N/A ILE 215.A N ASN 227.A O no hydrogen 2.843 N/A ARG 216.A NE ASP 456.A OD2 no hydrogen 2.715 N/A SER 217.A OG ASN 227.A OD1 no hydrogen 3.132 N/A ARG 219.A N THR 223.A O no hydrogen 2.935 N/A GLN 222.A N ARG 219.A O no hydrogen 3.036 N/A THR 223.A N ASP 221.A OD1 no hydrogen 3.480 N/A SER 224.A OG SER 217.A O no hydrogen 2.559 N/A SER 224.A OG ASP 456.A OD2 no hydrogen 3.409 N/A GLN 225.A NE2 ILE 336.A O no hydrogen 3.423 N/A THR 226.A OG1 ASP 456.A OD1 no hydrogen 2.259 N/A THR 226.A OG1 ASP 456.A OD2 no hydrogen 3.189 N/A ASN 227.A N ILE 215.A O no hydrogen 2.904 N/A ASN 227.A ND2 ILE 336.A O no hydrogen 3.398 N/A LEU 229.A N ILE 213.A O no hydrogen 2.871 N/A HIS 230.A N THR 238.A O no hydrogen 3.008 N/A LEU 232.A N GLN 236.A O no hydrogen 3.067 N/A ASN 233.A N SER 207.A O no hydrogen 3.090 N/A PHE 239.A N VAL 250.A O no hydrogen 2.933 N/A ARG 240.A N VAL 228.A O no hydrogen 3.404 N/A TRP 243.A N ASN 246.A O no hydrogen 3.024 N/A LYS 245.A NZ LYS 245.A O no hydrogen 3.458 N/A VAL 250.A N TYR 248.A O no hydrogen 2.964 N/A ILE 255.A N VAL 252.A O no hydrogen 3.151 N/A LEU 256.A N VAL 253.A O no hydrogen 3.291 N/A LYS 257.A N VAL 253.A O no hydrogen 2.919 N/A LEU 259.A N LEU 256.A O no hydrogen 3.356 N/A CYS 260.A SG SER 346.A O no hydrogen 3.277 N/A THR 262.A N CYS 260.A O no hydrogen 2.701 N/A THR 262.A OG1 CYS 260.A O no hydrogen 3.397 N/A SER 263.A OG SER 263.A O no hydrogen 2.589 N/A GLU 266.A N ASP 264.A OD2 no hydrogen 3.166 N/A ILE 267.A N ASP 264.A O no hydrogen 3.443 N/A PHE 268.A N ARG 265.A O no hydrogen 2.576 N/A ASP 269.A N ARG 265.A O no hydrogen 2.830 N/A GLY 270.A N GLU 266.A O no hydrogen 3.020 N/A VAL 276.A N ASP 275.A OD1 no hydrogen 2.630 N/A LYS 277.A NZ ASP 275.A OD2 no hydrogen 2.429 N/A ASP 283.A N SER 279.A O no hydrogen 3.043 N/A ARG 284.A NH2 GLN 236.A O no hydrogen 2.717 N/A LEU 285.A N LEU 281.A O no hydrogen 2.868 N/A GLU 286.A N THR 282.A O no hydrogen 2.833 N/A LEU 287.A N ASP 283.A O no hydrogen 3.188 N/A LEU 288.A N ARG 284.A O no hydrogen 3.274 N/A LEU 289.A N LEU 285.A O no hydrogen 3.055 N/A ARG 290.A N GLU 286.A O no hydrogen 2.883 N/A GLY 291.A N LEU 287.A O no hydrogen 3.021 N/A PHE 292.A N LEU 288.A O no hydrogen 3.052 N/A LYS 293.A N LEU 289.A O no hydrogen 2.900 N/A ARG 295.A NH1 GLY 291.A O no hydrogen 2.768 N/A GLN 304.A N ASN 301.A OD1 no hydrogen 2.992 N/A VAL 305.A N ASN 301.A O no hydrogen 3.282 N/A LEU 306.A N THR 303.A O no hydrogen 2.916 N/A GLN 307.A N THR 303.A O no hydrogen 2.920 N/A TYR 308.A N GLN 304.A O no hydrogen 2.895 N/A LEU 309.A N VAL 305.A O no hydrogen 3.041 N/A GLY 310.A N LEU 306.A O no hydrogen 3.046 N/A ASP 311.A N GLN 307.A O no hydrogen 2.881 N/A LYS 312.A N TYR 308.A O no hydrogen 3.015 N/A PHE 313.A N LEU 309.A O no hydrogen 2.911 N/A SER 320.A OG GLN 318.A O no hydrogen 3.448 N/A GLU 327.A N SER 324.A O no hydrogen 2.822 N/A VAL 328.A N SER 324.A O no hydrogen 2.829 N/A GLY 329.A N ASP 325.A O no hydrogen 2.970 N/A GLU 331.A N GLU 327.A O no hydrogen 2.948 N/A VAL 332.A N VAL 328.A O no hydrogen 2.907 N/A LEU 333.A N GLY 329.A O no hydrogen 3.179 N/A ASP 334.A N GLN 330.A O no hydrogen 2.843 N/A ARG 335.A N GLU 331.A O no hydrogen 3.160 N/A ARG 335.A NE GLU 331.A OE2 no hydrogen 2.346 N/A ARG 335.A NH2 ILE 56.A O no hydrogen 2.314 N/A ARG 335.A NH2 GLU 331.A OE2 no hydrogen 3.053 N/A ILE 336.A N LEU 333.A O no hydrogen 3.412 N/A LEU 338.A N ASN 227.A OD1 no hydrogen 3.148 N/A HIS 340.A ND1 VAL 218.A O no hydrogen 2.506 N/A GLY 342.A N VAL 339.A O no hydrogen 3.024 N/A GLY 345.A N GLY 342.A O no hydrogen 3.184 N/A ASP 348.A N GLY 345.A O no hydrogen 3.313 N/A LYS 349.A N GLY 345.A O no hydrogen 2.936 N/A LYS 349.A NZ VAL 337.A O no hydrogen 2.327 N/A LYS 349.A NZ LEU 338.A O no hydrogen 3.285 N/A MET 352.A N ASP 348.A O no hydrogen 3.023 N/A LEU 353.A N LYS 349.A O no hydrogen 2.887 N/A LEU 354.A N PHE 350.A O no hydrogen 2.935 N/A PHE 355.A N ARG 351.A O no hydrogen 2.931 N/A MET 356.A N MET 352.A O no hydrogen 2.817 N/A ILE 357.A N LEU 353.A O no hydrogen 3.018 N/A ARG 358.A N LEU 354.A O no hydrogen 2.878 N/A ARG 358.A NH2 ARG 358.A O no hydrogen 2.789 N/A LYS 359.A N PHE 355.A O no hydrogen 3.070 N/A LYS 359.A NZ PRO 193.A O no hydrogen 2.386 N/A LEU 360.A N MET 356.A O no hydrogen 3.406 N/A TYR 361.A N ILE 357.A O no hydrogen 3.229 N/A TYR 361.A OH ASP 278.A OD2 no hydrogen 3.348 N/A SER 362.A N ARG 358.A O no hydrogen 2.986 N/A SER 362.A OG GLU 367.A OE2 no hydrogen 3.554 N/A LEU 363.A N LYS 359.A O no hydrogen 2.833 N/A VAL 364.A N LEU 360.A O no hydrogen 3.077 N/A ALA 365.A N TYR 361.A O no hydrogen 3.130 N/A GLY 366.A N LEU 363.A O no hydrogen 3.369 N/A CYS 368.A SG SER 362.A O no hydrogen 3.961 N/A CYS 368.A SG SER 362.A OG no hydrogen 2.676 N/A SER 369.A OG ARG 613.A O no hydrogen 2.780 N/A ASP 371.A N ALA 195.A O no hydrogen 2.685 N/A GLU 380.A N VAL 187.A O no hydrogen 2.948 N/A VAL 381.A N SER 626.A O no hydrogen 3.001 N/A LEU 382.A N LEU 185.A O no hydrogen 2.746 N/A TYR 388.A N GLY 384.A O no hydrogen 3.035 N/A GLY 389.A N GLY 385.A O no hydrogen 3.078 N/A MET 390.A N PHE 386.A O no hydrogen 2.879 N/A ILE 391.A N LEU 387.A O no hydrogen 2.889 N/A LEU 392.A N TYR 388.A O no hydrogen 3.010 N/A LYS 393.A N GLY 389.A O no hydrogen 3.007 N/A LYS 393.A N MET 390.A O no hydrogen 3.066 N/A LYS 393.A NZ GLU 394.A OE2 no hydrogen 2.527 N/A GLU 394.A N MET 390.A O no hydrogen 3.249 N/A LYS 395.A N ILE 391.A O no hydrogen 2.799 N/A ILE 396.A N LEU 392.A O no hydrogen 3.030 N/A GLN 401.A N ASP 397.A O no hydrogen 3.277 N/A ASN 402.A N GLU 398.A O no hydrogen 3.082 N/A ILE 403.A N TYR 399.A O no hydrogen 2.884 N/A ILE 404.A N LEU 400.A O no hydrogen 3.130 N/A ALA 405.A N GLN 401.A O no hydrogen 2.896 N/A GLN 406.A N ILE 403.A O no hydrogen 3.269 N/A VAL 407.A N ILE 403.A O no hydrogen 2.903 N/A ARG 408.A N ILE 404.A O no hydrogen 3.239 N/A MET 409.A N GLN 406.A O no hydrogen 2.998 N/A ASP 410.A N GLN 406.A O no hydrogen 3.081 N/A LYS 422.A NZ PHE 132.A O no hydrogen 3.347 N/A ARG 423.A N ASP 421.A OD1 no hydrogen 2.879 N/A MET 425.A N ASP 421.A O no hydrogen 3.168 N/A SER 426.A N LYS 422.A O no hydrogen 3.017 N/A SER 426.A OG LYS 422.A O no hydrogen 3.129 N/A ARG 427.A N ARG 423.A O no hydrogen 2.860 N/A VAL 428.A N TYR 424.A O no hydrogen 3.025 N/A LEU 429.A N MET 425.A O no hydrogen 3.005 N/A MET 430.A N SER 426.A O no hydrogen 2.963 N/A ASN 435.A N ASN 433.A OD1 no hydrogen 3.365 N/A ILE 436.A N CYS 137.A O no hydrogen 2.590 N/A GLY 437.A N CYS 137.A O no hydrogen 3.260 N/A LYS 439.A N ILE 436.A O no hydrogen 3.097 N/A MET 440.A N ILE 436.A O no hydrogen 2.908 N/A GLN 441.A N GLY 437.A O no hydrogen 2.940 N/A PHE 443.A N LYS 439.A O no hydrogen 3.021 N/A LEU 444.A N MET 440.A O no hydrogen 3.126 N/A SER 445.A N GLN 441.A O no hydrogen 2.860 N/A THR 446.A N TYR 442.A O no hydrogen 3.032 N/A THR 446.A OG1 TYR 442.A O no hydrogen 2.333 N/A THR 446.A OG1 ASN 448.A O no hydrogen 3.467 N/A THR 446.A OG1 ASN 448.A OD1 no hydrogen 3.039 N/A GLY 447.A N PHE 443.A O no hydrogen 2.884 N/A GLY 454.A N SER 451.A OG no hydrogen 2.773 N/A SER 461.A OG VAL 460.A O no hydrogen 2.765 N/A THR 464.A OG1 LEU 181.A O no hydrogen 3.077 N/A THR 464.A OG1 VAL 465.A O no hydrogen 3.435 N/A VAL 465.A N LEU 181.A O no hydrogen 2.864 N/A ALA 467.A N GLU 179.A O no hydrogen 3.078 N/A ASN 471.A ND2 THR 704.A OG1 no hydrogen 3.033 N/A ARG 474.A N ASN 471.A OD1 no hydrogen 2.912 N/A ARG 474.A NE GLU 468.A OE2 no hydrogen 3.033 N/A ARG 474.A NH1 ARG 474.A O no hydrogen 3.286 N/A ILE 476.A N PHE 472.A O no hydrogen 3.068 N/A SER 477.A N TYR 473.A O no hydrogen 3.127 N/A SER 477.A OG TYR 473.A O no hydrogen 3.518 N/A SER 477.A OG ARG 474.A O no hydrogen 2.966 N/A HIS 478.A N ARG 474.A O no hydrogen 2.913 N/A PHE 479.A N PHE 475.A O no hydrogen 3.036 N/A ARG 480.A N SER 477.A O no hydrogen 2.754 N/A ARG 480.A NH1 CYS 528.A O no hydrogen 2.314 N/A ARG 480.A NH2 ALA 29.A O no hydrogen 3.497 N/A ARG 484.A NH1 ARG 484.A O no hydrogen 3.398 N/A SER 486.A N GLN 459.A OE1 no hydrogen 2.653 N/A PHE 488.A N GLY 485.A O no hydrogen 3.136 N/A ALA 489.A N SER 486.A O no hydrogen 3.171 N/A ARG 497.A NH1 SER 516.A O no hydrogen 2.331 N/A ARG 497.A NH1 CYS 518.A O no hydrogen 2.969 N/A ARG 497.A NH2 SER 516.A O no hydrogen 3.160 N/A LYS 498.A N THR 494.A O no hydrogen 3.425 N/A SER 503.A N LEU 500.A O no hydrogen 2.901 N/A TRP 504.A N PRO 501.A O no hydrogen 3.277 N/A PHE 506.A N SER 503.A O no hydrogen 3.225 N/A LEU 507.A N SER 503.A O no hydrogen 3.415 N/A CYS 508.A N HIS 523.A O no hydrogen 3.357 N/A THR 512.A OG1 HIS 511.A O no hydrogen 2.672 N/A CYS 518.A N GLY 515.A O no hydrogen 3.344 N/A LEU 520.A N PRO 517.A O no hydrogen 3.477 N/A ASN 522.A N VAL 482.A O no hydrogen 3.280 N/A PHE 524.A N ARG 480.A O no hydrogen 3.117 N/A CYS 528.A SG PHE 506.A O no hydrogen 3.558 N/A ARG 529.A N LEU 629.A O no hydrogen 3.118 N/A SER 531.A OG GLN 533.A O no hydrogen 3.400 N/A THR 532.A OG1 THR 532.A O no hydrogen 2.480 N/A GLN 534.A N HIS 625.A NE2 no hydrogen 3.175 N/A SER 538.A OG VAL 537.A O no hydrogen 2.636 N/A ARG 539.A N VAL 537.A O no hydrogen 2.461 N/A ILE 543.A N ILE 540.A O no hydrogen 3.321 N/A LEU 544.A N ILE 540.A O no hydrogen 2.857 N/A TYR 545.A N PRO 541.A O no hydrogen 2.983 N/A SER 546.A N ILE 543.A O no hydrogen 3.145 N/A SER 546.A OG ILE 543.A O no hydrogen 2.507 N/A LEU 547.A N ILE 543.A O no hydrogen 2.978 N/A LEU 547.A N LEU 544.A O no hydrogen 3.029 N/A HIS 554.A N PRO 551.A O no hydrogen 3.374 N/A LEU 562.A N GLY 559.A O no hydrogen 3.506 N/A CYS 563.A N VAL 575.A O no hydrogen 2.920 N/A CYS 563.A SG VAL 575.A O no hydrogen 3.184 N/A CYS 563.A SG SER 576.A O no hydrogen 3.198 N/A VAL 565.A N GLY 573.A O no hydrogen 2.993 N/A GLN 566.A N LEU 619.A O no hydrogen 2.856 N/A SER 576.A OG GLU 578.A OE1 no hydrogen 2.488 N/A SER 576.A OG GLU 578.A OE2 no hydrogen 2.819 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.618 N/A GLN 579.A N SER 576.A O no hydrogen 3.136 N/A GLY 580.A N HIS 577.A O no hydrogen 2.943 N/A LYS 581.A N GLU 578.A O no hydrogen 3.034 N/A ILE 582.A N GLU 578.A O no hydrogen 3.270 N/A ILE 583.A N GLN 579.A O no hydrogen 2.955 N/A THR 586.A N ILE 582.A O no hydrogen 2.879 N/A THR 586.A OG1 ILE 582.A O no hydrogen 2.473 N/A LEU 587.A N ILE 583.A O no hydrogen 3.052 N/A ARG 588.A N ASP 585.A O no hydrogen 3.219 N/A TYR 589.A N ASP 585.A O no hydrogen 3.056 N/A TRP 590.A N THR 586.A O no hydrogen 3.016 N/A LYS 591.A NZ ILE 601.A O no hydrogen 2.273 N/A LYS 591.A NZ LEU 603.A O no hydrogen 2.673 N/A LYS 591.A NZ ILE 642.A O no hydrogen 3.457 N/A VAL 592.A N ARG 588.A O no hydrogen 2.880 N/A GLU 593.A N TYR 589.A O no hydrogen 2.875 N/A LYS 595.A N GLU 593.A OE1 no hydrogen 2.412 N/A THR 596.A OG1 TRP 590.A O no hydrogen 3.451 N/A LEU 603.A N ILE 601.A O no hydrogen 2.891 N/A GLY 606.A N TYR 620.A O no hydrogen 2.945 N/A TYR 607.A OH HIS 577.A O no hydrogen 3.325 N/A GLN 615.A NE2 HIS 378.A NE2 no hydrogen 3.021 N/A LEU 619.A N CYS 564.A O no hydrogen 2.887 N/A TYR 620.A N GLY 606.A O no hydrogen 3.075 N/A LEU 621.A N GLN 566.A O no hydrogen 2.827 N/A SER 626.A OG VAL 381.A O no hydrogen 2.564 N/A SER 626.A OG SER 626.A O no hydrogen 2.446 N/A LEU 629.A N ARG 529.A O no hydrogen 2.904 N/A ARG 630.A N VAL 643.A O no hydrogen 3.037 N/A VAL 632.A N ASP 641.A O no hydrogen 3.107 N/A ARG 633.A NE ASP 638.A OD2 no hydrogen 3.142 N/A ARG 633.A NH2 ASP 638.A OD2 no hydrogen 2.950 N/A TYR 634.A N LYS 639.A O no hydrogen 3.106 N/A LYS 639.A N TYR 634.A O no hydrogen 3.264 N/A LYS 639.A NZ VAL 592.A O no hydrogen 2.467 N/A ASP 641.A N VAL 632.A O no hydrogen 2.806 N/A VAL 643.A N ARG 630.A O no hydrogen 3.094 N/A GLU 647.A N GLY 644.A O no hydrogen 3.325 N/A GLN 648.A NE2 TRP 504.A O no hydrogen 2.776 N/A TYR 650.A OH GLN 615.A OE1 no hydrogen 3.272 N/A ASN 652.A ND2 VAL 664.A O no hydrogen 2.475 N/A ALA 654.A N HIS 667.A O no hydrogen 3.038 N/A THR 656.A OG1 GLN 658.A OE1 no hydrogen 2.261 N/A GLU 659.A N THR 656.A O no hydrogen 3.158 N/A VAL 668.A N ARG 633.A O no hydrogen 2.991 N/A GLU 669.A N ALA 654.A O no hydrogen 3.028 N/A THR 673.A OG1 THR 671.A OG1 no hydrogen 2.861 N/A ASN 674.A N THR 671.A O no hydrogen 3.311 N/A LEU 676.A N THR 673.A O no hydrogen 3.459 N/A ALA 680.A N SER 677.A OG no hydrogen 3.204 N/A ASN 681.A N SER 677.A O no hydrogen 2.937 N/A LEU 682.A N LEU 679.A O no hydrogen 3.316 N/A THR 683.A OG1 ARG 894.A O no hydrogen 2.724 N/A PHE 688.A N PHE 685.A O no hydrogen 3.106 N/A ARG 693.A N GLN 690.A O no hydrogen 2.999 N/A ASN 694.A N GLN 690.A O no hydrogen 3.104 N/A ASN 694.A N SER 691.A O no hydrogen 3.014 N/A ASN 694.A ND2 SER 686.A O no hydrogen 3.645 N/A ASN 694.A ND2 ASN 689.A O no hydrogen 3.526 N/A MET 695.A N SER 691.A O no hydrogen 3.008 N/A TYR 696.A N PRO 692.A O no hydrogen 3.240 N/A GLN 697.A N ASN 694.A O no hydrogen 3.319 N/A CYS 698.A N ASN 694.A O no hydrogen 2.992 N/A CYS 698.A SG HIS 511.A ND1 no hydrogen 3.156 N/A GLY 701.A N GLN 697.A O no hydrogen 2.662 N/A LYS 702.A N CYS 698.A O no hydrogen 3.325 N/A LYS 702.A N GLN 699.A O no hydrogen 3.168 N/A LYS 702.A NZ CYS 698.A O no hydrogen 3.155 N/A LYS 702.A NZ GLN 699.A OE1 no hydrogen 2.442 N/A GLN 703.A N MET 700.A O no hydrogen 3.350 N/A MET 705.A N ARG 1009.A O no hydrogen 3.107 N/A GLY 706.A N THR 704.A OG1 no hydrogen 3.021 N/A THR 707.A N PRO 745.A O no hydrogen 3.372 N/A THR 707.A OG1 PRO 745.A O no hydrogen 3.431 N/A VAL 710.A N GLU 165.A OE1 no hydrogen 2.626 N/A HIS 714.A N ALA 711.A O no hydrogen 2.890 N/A ARG 715.A NE ASP 717.A OD2 no hydrogen 2.824 N/A ARG 715.A NH1 GLU 179.A OE2 no hydrogen 2.680 N/A ARG 715.A NH1 ASP 717.A OD1 no hydrogen 3.181 N/A ARG 715.A NH1 ASP 717.A OD2 no hydrogen 2.463 N/A SER 716.A OG SER 716.A O no hydrogen 2.548 N/A LYS 719.A N ASN 718.A OD1 no hydrogen 2.537 N/A LEU 720.A N TYR 783.A O no hydrogen 2.828 N/A ARG 722.A NE THR 781.A OG1 no hydrogen 3.279 N/A GLN 724.A N TYR 779.A O no hydrogen 3.416 N/A GLN 727.A N GLY 747.A O no hydrogen 2.439 N/A LYS 732.A N GLN 953.A O no hydrogen 3.463 N/A TYR 736.A N ALA 733.A O no hydrogen 3.090 N/A ASP 737.A N ASN 734.A O no hydrogen 3.146 N/A ASP 738.A N ASN 734.A O no hydrogen 2.986 N/A TYR 739.A N LEU 735.A O no hydrogen 3.131 N/A TYR 739.A OH HIS 526.A O no hydrogen 3.298 N/A GLY 740.A N ASP 737.A O no hydrogen 3.284 N/A MET 741.A N TYR 736.A O no hydrogen 3.142 N/A ASN 743.A N GLY 740.A O no hydrogen 3.050 N/A PHE 744.A N MET 741.A O no hydrogen 3.051 N/A PHE 748.A N TYR 1007.A O no hydrogen 3.075 N/A ALA 750.A N VAL 1005.A O no hydrogen 2.814 N/A VAL 752.A N GLY 1003.A O no hydrogen 2.341 N/A VAL 754.A N TYR 1001.A O no hydrogen 2.992 N/A ILE 755.A N ILE 923.A O no hydrogen 2.961 N/A TYR 757.A OH ASP 909.A O no hydrogen 3.085 N/A TYR 757.A OH ASP 909.A OD1 no hydrogen 2.798 N/A ASP 764.A N MET 762.A O no hydrogen 2.589 N/A MET 766.A N VAL 900.A O no hydrogen 2.863 N/A ASN 769.A N ASP 920.A O no hydrogen 2.554 N/A LYS 770.A N TRP 905.A O no hydrogen 2.793 N/A SER 771.A N ASN 769.A OD1 no hydrogen 3.262 N/A ASP 773.A N ASN 769.A O no hydrogen 3.337 N/A GLU 774.A N LYS 770.A O no hydrogen 2.930 N/A ARG 775.A N SER 771.A O no hydrogen 3.021 N/A ARG 775.A N ALA 772.A O no hydrogen 2.975 N/A GLY 776.A N ASP 773.A O no hydrogen 3.223 N/A THR 781.A N ARG 722.A O no hydrogen 2.945 N/A MET 782.A N ILE 881.A O no hydrogen 2.785 N/A LYS 784.A N TYR 879.A O no hydrogen 3.146 N/A THR 785.A N ASN 718.A O no hydrogen 2.663 N/A THR 785.A OG1 ASP 717.A O no hydrogen 2.759 N/A GLU 786.A N ILE 877.A O no hydrogen 2.865 N/A VAL 788.A N VAL 875.A O no hydrogen 3.042 N/A HIS 798.A N PHE 836.A O no hydrogen 2.837 N/A LYS 813.A NZ TRP 810.A O no hydrogen 2.256 N/A ASP 815.A N LEU 819.A O no hydrogen 2.581 N/A GLU 816.A N GLU 816.A OE1 no hydrogen 2.603 N/A GLY 818.A N ASP 815.A O no hydrogen 3.466 N/A TYR 821.A N LYS 813.A O no hydrogen 3.298 N/A TYR 821.A OH LEU 811.A O no hydrogen 3.343 N/A VAL 826.A N ALA 854.A O no hydrogen 3.155 N/A GLU 827.A N ASP 830.A OD2 no hydrogen 2.887 N/A GLY 829.A N TYR 848.A O no hydrogen 3.074 N/A ILE 832.A N LYS 846.A O no hydrogen 3.302 N/A CYS 833.A SG GLY 818.A O no hydrogen 3.971 N/A TYR 835.A N LYS 844.A O no hydrogen 3.527 N/A PHE 836.A N HIS 798.A O no hydrogen 2.740 N/A ASP 837.A N LYS 842.A O no hydrogen 2.986 N/A ASP 838.A N THR 796.A O no hydrogen 3.139 N/A THR 839.A N ASP 837.A OD1 no hydrogen 3.075 N/A THR 839.A OG1 ASP 837.A OD1 no hydrogen 3.052 N/A THR 839.A OG1 ASP 837.A OD2 no hydrogen 2.530 N/A LEU 840.A N ASP 837.A OD2 no hydrogen 2.940 N/A LYS 842.A NZ LEU 840.A O no hydrogen 3.150 N/A LYS 842.A NZ ASN 841.A O no hydrogen 3.466 N/A THR 847.A OG1 ASP 830.A O no hydrogen 2.941 N/A THR 847.A OG1 TYR 848.A O no hydrogen 3.534 N/A TYR 848.A N THR 847.A OG1 no hydrogen 2.548 N/A SER 850.A OG GLU 852.A OE1 no hydrogen 2.761 N/A SER 851.A OG GLU 828.A OE1 no hydrogen 3.512 N/A ALA 854.A N VAL 826.A O no hydrogen 3.142 N/A TYR 855.A N ARG 880.A O no hydrogen 2.814 N/A GLU 857.A N LYS 878.A O no hydrogen 3.166 N/A ASN 860.A N SER 876.A O no hydrogen 2.639 N/A SER 866.A OG LYS 868.A O no hydrogen 2.382 N/A GLN 873.A NE2 LEU 790.A O no hydrogen 3.045 N/A VAL 875.A N VAL 788.A O no hydrogen 2.814 N/A SER 876.A OG ASN 860.A OD1 no hydrogen 3.431 N/A ILE 877.A N GLU 786.A O no hydrogen 3.047 N/A LYS 878.A N GLU 858.A O no hydrogen 3.341 N/A LYS 878.A NZ ARG 715.A O no hydrogen 3.409 N/A LYS 878.A NZ THR 785.A OG1 no hydrogen 2.340 N/A TYR 879.A N LYS 784.A O no hydrogen 2.715 N/A ARG 880.A N TYR 855.A O no hydrogen 2.896 N/A GLN 886.A N ASP 889.A OD2 no hydrogen 2.597 N/A PHE 891.A N GLY 899.A O no hydrogen 2.706 N/A SER 892.A OG SER 893.A O no hydrogen 3.106 N/A SER 892.A OG GLN 897.A O no hydrogen 2.810 N/A HIS 895.A N SER 893.A OG no hydrogen 3.407 N/A CYS 901.A SG GLN 886.A O no hydrogen 3.187 N/A SER 902.A N MET 766.A O no hydrogen 3.110 N/A LYS 904.A NZ ASP 773.A OD2 no hydrogen 3.499 N/A THR 907.A OG1 ASN 769.A OD1 no hydrogen 3.237 N/A ASP 909.A N PRO 906.A O no hydrogen 3.311 N/A MET 910.A N THR 907.A O no hydrogen 3.179 N/A PHE 912.A N TYR 988.A O no hydrogen 3.149 N/A SER 913.A N ILE 917.A O no hydrogen 3.132 N/A ILE 917.A N THR 915.A OG1 no hydrogen 2.998 N/A ILE 921.A N VAL 751.A O no hydrogen 3.371 N/A ILE 923.A N ALA 753.A O no hydrogen 3.138 N/A ASN 924.A ND2 ASP 761.A O no hydrogen 2.422 N/A SER 930.A N ALA 927.A O no hydrogen 3.331 N/A ARG 931.A N ALA 927.A O no hydrogen 2.723 N/A MET 932.A N PHE 928.A O no hydrogen 2.855 N/A PHE 937.A N ILE 934.A O no hydrogen 2.870 N/A VAL 938.A N ILE 934.A O no hydrogen 3.129 N/A GLU 939.A N GLY 935.A O no hydrogen 2.889 N/A SER 940.A OG MET 936.A O no hydrogen 2.376 N/A LEU 941.A N PHE 937.A O no hydrogen 3.115 N/A ALA 942.A N VAL 938.A O no hydrogen 3.120 N/A GLY 943.A N GLU 939.A O no hydrogen 2.702 N/A LYS 944.A N SER 940.A O no hydrogen 2.865 N/A ALA 945.A N LEU 941.A O no hydrogen 2.930 N/A GLY 946.A N ALA 942.A O no hydrogen 2.749 N/A ALA 947.A N GLY 943.A O no hydrogen 2.866 N/A LEU 948.A N ALA 945.A O no hydrogen 3.143 N/A HIS 949.A N ALA 945.A O no hydrogen 3.098 N/A GLN 953.A N GLN 953.A OE1 no hydrogen 2.816 N/A SER 955.A N LYS 732.A O no hydrogen 3.362 N/A THR 956.A N SER 955.A OG no hydrogen 2.661 N/A THR 956.A OG1 ASP 954.A OD1 no hydrogen 2.318 N/A ASP 964.A N ASP 964.A OD1 no hydrogen 2.467 N/A ASP 968.A N THR 965.A O no hydrogen 2.943 N/A TYR 969.A N THR 965.A O no hydrogen 3.012 N/A PHE 970.A N PRO 966.A O no hydrogen 2.921 N/A GLY 971.A N ASP 968.A O no hydrogen 3.286 N/A GLU 972.A N ASP 968.A O no hydrogen 2.973 N/A ALA 975.A N GLY 971.A O no hydrogen 2.877 N/A LYS 976.A N GLU 972.A O no hydrogen 3.063 N/A ALA 977.A N GLN 973.A O no hydrogen 2.964 N/A GLY 978.A N ALA 975.A O no hydrogen 3.377 N/A TYR 988.A N PHE 912.A O no hydrogen 2.996 N/A GLY 993.A N SER 989.A O no hydrogen 2.939 N/A ILE 1000.A N GLU 985.A O no hydrogen 3.140 N/A VAL 1005.A N ALA 750.A O no hydrogen 2.867 N/A GLN 1008.A N SER 892.A O no hydrogen 3.032 N/A ARG 1009.A NH2 ASP 889.A OD2 no hydrogen 3.065 N/A ARG 1021.A NH2 PRO 1025.A O no hydrogen 2.959 N/A ASN 1027.A N GLN 1032.A O no hydrogen 2.553 N/A SER 1028.A N ASN 1027.A OD1 no hydrogen 2.442 N/A LEU 1029.A N ASN 1027.A OD1 no hydrogen 3.441 N/A GLN 1032.A NE2 ASP 1071.A OD2 no hydrogen 3.216 N/A ARG 1037.A NH1 ASP 1016.A O no hydrogen 2.887 N/A ARG 1037.A NH1 ASP 1016.A OD1 no hydrogen 3.564 N/A ARG 1037.A NH2 ASP 1016.A O no hydrogen 2.322 N/A ARG 1037.A NH2 LYS 1017.A O no hydrogen 2.499 N/A GLU 1049.A N GLY 1046.A O no hydrogen 3.365 N/A ARG 1050.A N GLY 1046.A O no hydrogen 2.931 N/A ALA 1052.A N ASP 1051.A OD1 no hydrogen 2.476 N/A LEU 1053.A N GLU 1049.A O no hydrogen 2.901 N/A GLY 1055.A N ASP 1051.A O no hydrogen 2.906 N/A GLY 1057.A N ILE 1054.A O no hydrogen 2.846 N/A THR 1058.A OG1 LEU 1053.A O no hydrogen 3.452 N/A LEU 1062.A N SER 1059.A O no hydrogen 2.933 N/A ASP 1064.A N LEU 1061.A O no hydrogen 3.140 N/A ARG 1065.A N LEU 1061.A O no hydrogen 2.833 N/A LEU 1067.A N GLN 1063.A O no hydrogen 3.332 N/A ASN 1068.A N GLN 1063.A O no hydrogen 3.247 N/A SER 1069.A OG ARG 1065.A O no hydrogen 2.693 N/A SER 1070.A OG ASP 1071.A OD1 no hydrogen 3.014 N/A THR 1073.A N ILE 1145.A O no hydrogen 3.286 N/A GLN 1074.A NE2 TYR 1072.A OH no hydrogen 3.053 N/A VAL 1077.A N THR 1141.A O no hydrogen 2.777 N/A CYS 1078.A N SER 1083.A O no hydrogen 3.106 N/A GLU 1080.A N GLU 1080.A OE1 no hydrogen 2.707 N/A SER 1083.A OG CYS 1081.A O no hydrogen 3.465 N/A THR 1087.A OG1 CYS 1101.A O no hydrogen 2.400 N/A GLN 1088.A N CYS 1101.A O no hydrogen 3.039 N/A SER 1090.A OG VAL 1091.A O no hydrogen 3.451 N/A SER 1090.A OG GLU 1127.A O no hydrogen 2.190 N/A CYS 1101.A N GLN 1088.A O no hydrogen 3.066 N/A CYS 1101.A SG VAL 1100.A O no hydrogen 3.160 N/A CYS 1102.A N GLY 1137.A O no hydrogen 3.118 N/A SER 1106.A N ARG 1103.A O no hydrogen 3.352 N/A MET 1107.A N VAL 1135.A O no hydrogen 2.808 N/A PHE 1109.A N LYS 1133.A O no hydrogen 3.057 N/A GLU 1110.A N GLU 1110.A OE1 no hydrogen 2.653 N/A ALA 1112.A N PHE 1109.A O no hydrogen 3.237 N/A LYS 1113.A NZ GLU 1110.A O no hydrogen 3.402 N/A GLU 1116.A N GLU 1116.A OE1 no hydrogen 2.637 N/A LYS 1117.A NZ ILE 1118.A O no hydrogen 3.039 N/A ILE 1125.A N ASP 1122.A O no hydrogen 3.345 N/A GLY 1131.A N ASP 1128.A O no hydrogen 3.065 N/A LYS 1133.A NZ PHE 1134.A O no hydrogen 2.635 N/A VAL 1135.A N MET 1107.A O no hydrogen 2.785 N/A THR 1140.A OG1 VAL 1077.A O no hydrogen 2.361 N/A THR 1140.A OG1 THR 1141.A O no hydrogen 3.405 N/A THR 1141.A N VAL 1077.A O no hydrogen 3.048 N/A THR 1142.A N THR 1141.A OG1 no hydrogen 2.637 N/A VAL 1143.A N ALA 1075.A O no hydrogen 2.947 N/A ILE 1145.A N THR 1073.A O no hydrogen 3.062 N/A PHE 1147.A N ASP 1071.A O no hydrogen 3.163 N/A LEU 1149.A N PRO 1146.A O no hydrogen 3.043 N/A TYR 1151.A N PHE 1147.A O no hydrogen 3.032 N/A LEU 1152.A N VAL 1148.A O no hydrogen 2.830 N/A LEU 1152.A N LEU 1149.A O no hydrogen 3.218 N/A ASP 1153.A N LEU 1149.A O no hydrogen 3.520 N/A SER 1154.A N TYR 1151.A O no hydrogen 3.296 N/A GLU 1155.A N GLU 1155.A OE1 no hydrogen 2.680 N/A LEU 1156.A N LEU 1152.A O no hydrogen 2.905 N/A SER 1157.A N ASP 1153.A O no hydrogen 3.168 N/A SER 1157.A OG ASP 1153.A O no hydrogen 2.729 N/A SER 1157.A OG SER 1154.A O no hydrogen 2.742 N/A ALA 1158.A N SER 1154.A O no hydrogen 3.235 N/A MET 1159.A N GLU 1155.A O no hydrogen 3.135 N/A GLY 1160.A N SER 1157.A O no hydrogen 2.913 N/A TYR 1165.A N GLY 1082.A O no hydrogen 3.109 N/A