Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qbk_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N TRP 3.A O no hydrogen 3.256 N/A GLY 9.A N ASP 6.A O no hydrogen 2.762 N/A LEU 10.A N GLU 7.A O no hydrogen 3.215 N/A GLN 11.A NE2 GLN 11.A O no hydrogen 3.512 N/A GLN 12.A N GLY 9.A O no hydrogen 3.210 N/A ILE 13.A N GLY 9.A O no hydrogen 2.948 N/A LEU 14.A N LEU 10.A O no hydrogen 2.994 N/A GLN 15.A N GLN 12.A O no hydrogen 3.185 N/A LEU 17.A N ILE 13.A O no hydrogen 2.928 N/A LYS 18.A N LEU 14.A O no hydrogen 3.278 N/A LYS 18.A NZ ASP 59.A OD1 no hydrogen 2.585 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 3.095 N/A SER 20.A N LYS 18.A O no hydrogen 2.912 N/A ASP 24.A N ASP 24.A OD1 no hydrogen 2.593 N/A THR 25.A N GLN 21.A O no hydrogen 2.679 N/A THR 25.A OG1 GLN 21.A O no hydrogen 2.650 N/A THR 26.A OG1 SER 22.A O no hydrogen 3.472 N/A ILE 27.A N PRO 23.A O no hydrogen 2.976 N/A GLN 28.A N ASP 24.A O no hydrogen 2.588 N/A GLN 28.A NE2 ASP 24.A O no hydrogen 3.688 N/A ARG 29.A N THR 25.A O no hydrogen 3.043 N/A ARG 29.A NH2 SER 20.A OG no hydrogen 3.047 N/A THR 30.A N ILE 27.A O no hydrogen 3.176 N/A THR 30.A OG1 ILE 27.A O no hydrogen 3.378 N/A GLN 32.A N GLN 28.A O no hydrogen 3.091 N/A GLN 33.A N THR 30.A O no hydrogen 3.047 N/A ASN 39.A ND2 GLU 36.A O no hydrogen 3.123 N/A PHE 44.A N TYR 41.A O no hydrogen 3.019 N/A ASN 45.A N TYR 41.A O no hydrogen 2.385 N/A ASN 46.A N PHE 44.A O no hydrogen 2.533 N/A ASN 46.A ND2 PRO 42.A O no hydrogen 3.057 N/A TYR 47.A N PHE 44.A O no hydrogen 3.225 N/A ILE 49.A N TYR 47.A O no hydrogen 2.484 N/A THR 53.A OG1 ILE 49.A O no hydrogen 2.623 N/A LYS 56.A N LEU 52.A O no hydrogen 3.122 N/A SER 57.A OG GLU 60.A OE1 no hydrogen 2.779 N/A THR 62.A N GLU 58.A O no hydrogen 3.133 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.725 N/A THR 62.A OG1 ASP 59.A O no hydrogen 2.565 N/A ARG 63.A N GLU 60.A O no hydrogen 2.902 N/A SER 64.A N PRO 61.A O no hydrogen 2.749 N/A SER 64.A OG PRO 61.A O no hydrogen 2.801 N/A LEU 65.A N PRO 61.A O no hydrogen 2.655 N/A SER 66.A N THR 62.A O no hydrogen 2.990 N/A ILE 69.A N SER 64.A O no hydrogen 3.046 N/A LEU 70.A N GLY 67.A O no hydrogen 3.003 N/A LYS 71.A N LEU 68.A O no hydrogen 2.766 N/A ASN 72.A N ILE 69.A O no hydrogen 2.696 N/A ASN 73.A N LEU 70.A O no hydrogen 3.137 N/A LYS 75.A N ASN 72.A O no hydrogen 2.757 N/A LYS 75.A NZ GLU 36.A OE1 no hydrogen 2.703 N/A ALA 76.A N ASN 73.A O no hydrogen 2.779 N/A HIS 77.A N ASN 73.A O no hydrogen 2.539 N/A PHE 78.A N VAL 74.A O no hydrogen 3.130 N/A GLN 79.A NE2 GLN 79.A O no hydrogen 3.421 N/A ILE 89.A N THR 86.A OG1 no hydrogen 3.160 N/A LYS 90.A N THR 86.A O no hydrogen 3.243 N/A LYS 90.A NZ VAL 85.A O no hydrogen 3.163 N/A LYS 90.A NZ THR 86.A O no hydrogen 3.479 N/A SER 91.A N ASP 87.A O no hydrogen 2.755 N/A GLU 92.A N PHE 88.A O no hydrogen 2.422 N/A CYS 93.A SG ASN 46.A OD1 no hydrogen 3.461 N/A CYS 93.A SG ASN 96.A OD1 no hydrogen 4.038 N/A LEU 94.A N LYS 90.A O no hydrogen 2.938 N/A ASN 96.A N CYS 93.A O no hydrogen 2.641 N/A GLY 98.A N ASN 95.A O no hydrogen 3.299 N/A SER 100.A OG ALA 149.A O no hydrogen 2.328 N/A SER 101.A OG GLY 148.A O no hydrogen 3.109 N/A VAL 108.A N ARG 105.A O no hydrogen 3.244 N/A LEU 111.A N VAL 108.A O no hydrogen 2.802 N/A THR 113.A N ILE 110.A O no hydrogen 3.083 N/A THR 113.A OG1 ILE 110.A O no hydrogen 3.328 N/A ILE 115.A N ILE 112.A O no hydrogen 3.013 N/A ALA 116.A N ILE 112.A O no hydrogen 3.168 N/A SER 117.A N THR 113.A O no hydrogen 2.588 N/A SER 117.A OG GLU 120.A OE2 no hydrogen 3.182 N/A LYS 118.A N ALA 116.A O no hydrogen 2.721 N/A LYS 118.A NZ GLN 122.A O no hydrogen 2.542 N/A GLY 119.A N ALA 116.A O no hydrogen 2.804 N/A GLU 120.A N ALA 116.A O no hydrogen 3.177 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 3.316 N/A LEU 131.A N LEU 128.A O no hydrogen 2.969 N/A CYS 132.A SG PRO 129.A O no hydrogen 2.832 N/A LEU 134.A N LYS 130.A O no hydrogen 2.664 N/A ASP 136.A N SER 133.A O no hydrogen 3.070 N/A GLU 138.A N LEU 135.A O no hydrogen 3.058 N/A ASP 139.A N ASP 136.A O no hydrogen 3.473 N/A TYR 140.A N SER 137.A O no hydrogen 3.197 N/A TYR 140.A OH HIS 179.A ND1 no hydrogen 2.599 N/A ASN 141.A N ASP 139.A O no hydrogen 2.246 N/A THR 142.A OG1 GLU 138.A O no hydrogen 2.246 N/A THR 142.A OG1 GLU 138.A OE1 no hydrogen 2.470 N/A GLN 151.A N PHE 147.A O no hydrogen 2.421 N/A LYS 152.A NZ GLU 155.A OE2 no hydrogen 3.030 N/A SER 157.A OG CYS 154.A O no hydrogen 2.570 N/A ALA 158.A N GLU 155.A O no hydrogen 2.767 N/A GLU 159.A N GLU 155.A O no hydrogen 3.248 N/A LEU 161.A N SER 157.A O no hydrogen 2.805 N/A ASP 162.A N ALA 158.A O no hydrogen 3.014 N/A SER 163.A N GLU 159.A O no hydrogen 3.003 N/A SER 163.A OG GLU 159.A O no hydrogen 2.761 N/A ARG 165.A NE ARG 165.A O no hydrogen 3.345 N/A LEU 174.A N ILE 170.A O no hydrogen 3.272 N/A PHE 176.A N PHE 173.A O no hydrogen 3.050 N/A HIS 179.A N PHE 176.A O no hydrogen 2.505 N/A HIS 187.A N SER 186.A OG no hydrogen 2.454 N/A HIS 187.A ND1 GLN 151.A OE1 no hydrogen 2.747 N/A VAL 189.A N SER 186.A O no hydrogen 2.662 N/A ALA 190.A N SER 186.A O no hydrogen 2.859 N/A ASN 193.A N VAL 189.A O no hydrogen 2.912 N/A ILE 196.A N ASN 193.A O no hydrogen 2.382 N/A SER 198.A OG PHE 195.A O no hydrogen 3.019 N/A SER 198.A OG SER 198.A O no hydrogen 2.644 N/A ARG 199.A NH1 ILE 197.A O no hydrogen 3.243 N/A ARG 199.A NH2 LEU 235.A O no hydrogen 2.582 N/A SER 208.A OG HIS 205.A O no hydrogen 2.742 N/A PHE 209.A N ILE 206.A O no hydrogen 2.727 N/A ALA 215.A N GLU 211.A O no hydrogen 2.500 N/A ASP 219.A N LEU 216.A O no hydrogen 2.861 N/A GLU 220.A N GLY 218.A O no hydrogen 2.540 N/A CYS 229.A SG LYS 226.A O no hydrogen 2.910 N/A ARG 230.A N LYS 226.A O no hydrogen 2.907 N/A ALA 231.A N ASN 227.A O no hydrogen 3.111 N/A VAL 233.A N ARG 230.A O no hydrogen 2.798 N/A MET 239.A N VAL 237.A O no hydrogen 2.837 N/A ARG 241.A NH1 ARG 238.A O no hydrogen 2.802 N/A LEU 243.A N MET 239.A O no hydrogen 3.380 N/A GLU 250.A N ASN 247.A O no hydrogen 2.704 N/A TYR 251.A N ASN 247.A O no hydrogen 2.587 N/A ARG 254.A NH1 GLN 253.A OE1 no hydrogen 2.650 N/A GLN 256.A N GLN 253.A O no hydrogen 2.770 N/A ASP 257.A N GLN 253.A O no hydrogen 3.144 N/A ASN 261.A ND2 ASP 259.A OD2 no hydrogen 3.507 N/A VAL 262.A N ASP 259.A O no hydrogen 2.928 N/A ALA 263.A N ASP 259.A O no hydrogen 3.427 N/A LEU 264.A N GLU 260.A O no hydrogen 3.222 N/A ALA 266.A N VAL 262.A O no hydrogen 2.918 N/A CYS 267.A N ALA 263.A O no hydrogen 2.673 N/A CYS 267.A SG CYS 362.A O no hydrogen 3.653 N/A GLU 268.A N LEU 264.A O no hydrogen 3.119 N/A TRP 270.A N ALA 266.A O no hydrogen 2.552 N/A TRP 270.A N CYS 267.A O no hydrogen 3.077 N/A LEU 271.A N CYS 267.A O no hydrogen 3.062 N/A THR 272.A N TRP 270.A O no hydrogen 2.393 N/A THR 272.A OG1 GLU 268.A O no hydrogen 3.477 N/A THR 272.A OG1 PHE 269.A O no hydrogen 3.152 N/A ILE 278.A N GLU 275.A O no hydrogen 2.788 N/A CYS 279.A N GLN 276.A O no hydrogen 2.511 N/A LYS 280.A N PRO 277.A O no hydrogen 3.389 N/A VAL 282.A N ASP 281.A OD1 no hydrogen 2.881 N/A ARG 285.A N ASP 281.A O no hydrogen 3.223 N/A ARG 285.A NH2 GLU 250.A OE2 no hydrogen 3.487 N/A HIS 286.A N LEU 283.A O no hydrogen 3.390 N/A VAL 293.A N LYS 289.A O no hydrogen 3.277 N/A VAL 295.A N ILE 291.A O no hydrogen 2.915 N/A GLY 297.A N VAL 293.A O no hydrogen 3.133 N/A GLY 297.A N LEU 294.A O no hydrogen 3.079 N/A ASP 301.A N ASP 301.A OD2 no hydrogen 2.267 N/A ILE 305.A N ASP 301.A O no hydrogen 2.670 N/A LEU 307.A N ASP 303.A O no hydrogen 3.021 N/A LYS 308.A NZ ILE 305.A O no hydrogen 3.019 N/A ASP 310.A N LEU 307.A O no hydrogen 2.806 N/A VAL 311.A N LEU 307.A O no hydrogen 3.395 N/A ILE 317.A N ASP 314.A O no hydrogen 2.794 N/A ASP 323.A N SER 320.A O no hydrogen 3.197 N/A ARG 327.A NH1 ASP 524.A OD1 no hydrogen 3.460 N/A ARG 327.A NH2 ASP 524.A OD1 no hydrogen 3.039 N/A ARG 327.A NH2 ASP 524.A OD2 no hydrogen 3.062 N/A ARG 327.A NH2 GLU 566.A OE1 no hydrogen 3.548 N/A HIS 329.A N ASP 616.A OD1 no hydrogen 2.717 N/A HIS 329.A NE2 ASP 622.A OD2 no hydrogen 3.021 N/A ARG 330.A NE GLU 566.A OE2 no hydrogen 3.277 N/A SER 331.A N GLU 655.A OE2 no hydrogen 3.226 N/A SER 331.A OG GLU 655.A O no hydrogen 3.026 N/A SER 331.A OG SER 659.A OG no hydrogen 2.539 N/A ARG 332.A N ASP 622.A OD2 no hydrogen 3.049 N/A ARG 332.A NH1 SER 625.A OG no hydrogen 2.744 N/A ARG 332.A NH1 ASP 666.A OD2 no hydrogen 2.789 N/A VAL 334.A N ASN 699.A OD1 no hydrogen 2.959 N/A GLN 336.A NE2 GLU 777.A OE2 no hydrogen 2.802 N/A GLN 337.A N GLN 337.A OE1 no hydrogen 2.444 N/A HIS 338.A ND1 ASN 771.A O no hydrogen 2.960 N/A GLU 340.A N GLU 340.A OE2 no hydrogen 2.549 N/A ASP 341.A N HIS 338.A O no hydrogen 3.046 N/A ASP 342.A N ASP 345.A OD2 no hydrogen 2.930 N/A ASP 345.A N ASP 342.A O no hydrogen 3.193 N/A ASP 346.A N ASP 342.A O no hydrogen 2.671 N/A SER 355.A N ASP 352.A O no hydrogen 2.628 N/A LEU 359.A N TYR 299.A OH no hydrogen 2.945 N/A LYS 361.A N ASN 358.A OD1 no hydrogen 2.885 N/A LYS 361.A NZ ASP 356.A O no hydrogen 2.483 N/A SER 363.A N ARG 360.A O no hydrogen 3.161 N/A ALA 366.A N CYS 362.A O no hydrogen 2.921 N/A LEU 367.A N SER 363.A O no hydrogen 2.835 N/A LEU 370.A N LEU 367.A O no hydrogen 3.321 N/A ASN 372.A N VAL 369.A O no hydrogen 2.772 N/A VAL 373.A N VAL 369.A O no hydrogen 2.539 N/A TYR 374.A N VAL 369.A O no hydrogen 3.369 N/A HIS 381.A ND1 PRO 380.A O no hydrogen 2.560 N/A LEU 386.A N ILE 382.A O no hydrogen 2.890 N/A LYS 387.A N PRO 384.A O no hydrogen 3.199 N/A GLU 388.A N PRO 384.A O no hydrogen 3.188 N/A LEU 389.A N LEU 385.A O no hydrogen 2.991 N/A HIS 392.A N GLU 388.A O no hydrogen 2.723 N/A GLU 394.A N HIS 393.A ND1 no hydrogen 2.494 N/A LYS 398.A N GLU 394.A O no hydrogen 3.516 N/A GLU 399.A N TRP 395.A O no hydrogen 2.833 N/A SER 400.A N VAL 396.A O no hydrogen 3.373 N/A SER 400.A OG VAL 397.A O no hydrogen 2.463 N/A GLY 401.A N VAL 397.A O no hydrogen 2.930 N/A GLY 401.A N LYS 398.A O no hydrogen 2.928 N/A ILE 402.A N LYS 398.A O no hydrogen 2.889 N/A LEU 403.A N GLU 399.A O no hydrogen 2.760 N/A VAL 404.A N SER 400.A O no hydrogen 3.252 N/A LEU 405.A N GLY 401.A O no hydrogen 3.006 N/A ALA 407.A N LEU 403.A O no hydrogen 2.705 N/A ILE 408.A N LEU 405.A O no hydrogen 3.032 N/A ALA 409.A N LEU 405.A O no hydrogen 3.379 N/A CYS 412.A N ILE 408.A O no hydrogen 3.223 N/A CYS 412.A SG LEU 370.A O no hydrogen 3.008 N/A GLY 414.A N ASP 376.A OD2 no hydrogen 2.765 N/A GLU 420.A N TYR 417.A O no hydrogen 2.663 N/A LEU 421.A N TYR 417.A O no hydrogen 3.277 N/A HIS 424.A N LEU 421.A O no hydrogen 2.545 N/A LEU 425.A N LEU 421.A O no hydrogen 3.112 N/A ILE 426.A N ILE 422.A O no hydrogen 3.129 N/A GLN 427.A N HIS 424.A O no hydrogen 2.397 N/A CYS 428.A N HIS 424.A O no hydrogen 3.370 N/A CYS 428.A SG HIS 424.A O no hydrogen 4.014 N/A LEU 429.A N LEU 425.A O no hydrogen 3.250 N/A SER 430.A N GLN 427.A O no hydrogen 2.611 N/A SER 430.A OG GLU 465.A OE1 no hydrogen 2.842 N/A ASP 431.A N CYS 428.A O no hydrogen 2.717 N/A VAL 436.A N LYS 433.A O no hydrogen 2.241 N/A ARG 437.A N LYS 433.A O no hydrogen 3.343 N/A ARG 437.A NH1 GLU 312.A OE1 no hydrogen 3.132 N/A SER 438.A N ALA 434.A O no hydrogen 3.457 N/A SER 438.A OG ALA 434.A O no hydrogen 3.338 N/A THR 440.A N VAL 436.A O no hydrogen 2.834 N/A THR 440.A OG1 VAL 436.A O no hydrogen 2.605 N/A CYS 441.A N ARG 437.A O no hydrogen 2.685 N/A CYS 441.A SG ARG 437.A O no hydrogen 3.560 N/A TRP 442.A N SER 438.A O no hydrogen 3.023 N/A THR 443.A N ILE 439.A O no hydrogen 2.689 N/A THR 443.A OG1 ILE 402.A O no hydrogen 2.536 N/A THR 443.A OG1 ILE 439.A O no hydrogen 2.641 N/A LEU 444.A N THR 440.A O no hydrogen 2.823 N/A SER 445.A N CYS 441.A O no hydrogen 3.121 N/A SER 445.A OG CYS 441.A O no hydrogen 3.160 N/A SER 445.A OG TRP 442.A O no hydrogen 3.163 N/A ARG 446.A N TRP 442.A O no hydrogen 2.929 N/A ARG 446.A NE GLY 406.A O no hydrogen 3.020 N/A TYR 447.A N LEU 444.A O no hydrogen 2.962 N/A ALA 448.A N SER 445.A O no hydrogen 3.059 N/A VAL 452.A N ALA 448.A O no hydrogen 2.938 N/A SER 453.A N HIS 449.A O no hydrogen 2.978 N/A SER 453.A OG HIS 449.A O no hydrogen 2.886 N/A GLN 454.A N VAL 452.A O no hydrogen 2.572 N/A TYR 459.A N PRO 456.A O no hydrogen 2.846 N/A TYR 459.A OH GLN 454.A OE1 no hydrogen 3.001 N/A LEU 460.A N PRO 456.A O no hydrogen 3.260 N/A LEU 463.A N TYR 459.A O no hydrogen 3.062 N/A THR 464.A OG1 LYS 461.A O no hydrogen 2.373 N/A GLU 465.A N PRO 462.A O no hydrogen 2.840 N/A LEU 466.A N LEU 463.A O no hydrogen 2.801 N/A LYS 468.A NZ GLU 465.A OE1 no hydrogen 2.894 N/A LYS 468.A NZ GLU 465.A OE2 no hydrogen 2.792 N/A ARG 469.A N GLU 465.A O no hydrogen 3.182 N/A ARG 469.A N LEU 466.A O no hydrogen 3.212 N/A ARG 469.A NE SER 473.A OG no hydrogen 3.322 N/A ARG 469.A NH2 SER 473.A OG no hydrogen 3.044 N/A ILE 470.A N LEU 466.A O no hydrogen 3.147 N/A SER 473.A N ASP 472.A OD1 no hydrogen 2.517 N/A ASN 474.A ND2 GLY 309.A O no hydrogen 3.346 N/A LYS 475.A N ASP 314.A OD1 no hydrogen 3.304 N/A LYS 475.A NZ ILE 317.A O no hydrogen 2.708 N/A LYS 475.A NZ ASP 319.A OD1 no hydrogen 2.667 N/A VAL 477.A N ASN 474.A OD1 no hydrogen 2.685 N/A GLN 478.A N ASN 474.A O no hydrogen 3.074 N/A GLN 478.A NE2 ASP 472.A O no hydrogen 3.225 N/A GLU 479.A N LYS 475.A O no hydrogen 3.117 N/A ALA 480.A N ARG 476.A O no hydrogen 3.208 N/A ALA 481.A N VAL 477.A O no hydrogen 2.616 N/A CYS 482.A N GLN 478.A O no hydrogen 2.968 N/A CYS 482.A SG GLN 478.A O no hydrogen 3.744 N/A CYS 482.A SG TYR 514.A OH no hydrogen 3.085 N/A SER 483.A N GLU 479.A O no hydrogen 2.961 N/A SER 483.A OG GLU 479.A O no hydrogen 2.493 N/A ALA 484.A N ALA 480.A O no hydrogen 3.312 N/A PHE 485.A N ALA 481.A O no hydrogen 3.046 N/A ALA 486.A N CYS 482.A O no hydrogen 2.614 N/A THR 487.A N ALA 484.A O no hydrogen 2.550 N/A THR 487.A OG1 SER 483.A O no hydrogen 3.048 N/A LEU 488.A N ALA 484.A O no hydrogen 2.937 N/A GLU 489.A N PHE 485.A O no hydrogen 2.951 N/A GLU 490.A N ALA 486.A O no hydrogen 3.522 N/A GLU 491.A N THR 487.A O no hydrogen 3.174 N/A ALA 492.A N LEU 488.A O no hydrogen 3.067 N/A CYS 493.A N GLU 489.A O no hydrogen 2.819 N/A CYS 493.A SG SER 532.A O no hydrogen 3.454 N/A THR 494.A OG1 CYS 493.A O no hydrogen 1.684 N/A GLU 495.A N ALA 492.A O no hydrogen 2.517 N/A TYR 499.A N LEU 496.A O no hydrogen 2.681 N/A ILE 503.A N TYR 499.A O no hydrogen 3.303 N/A LEU 504.A N LEU 500.A O no hydrogen 2.777 N/A ASP 505.A N ALA 501.A O no hydrogen 3.199 N/A THR 506.A N TYR 502.A O no hydrogen 3.159 N/A THR 506.A N ILE 503.A O no hydrogen 3.021 N/A LEU 507.A N ILE 503.A O no hydrogen 3.134 N/A VAL 508.A N LEU 504.A O no hydrogen 2.768 N/A PHE 509.A N ASP 505.A O no hydrogen 3.253 N/A PHE 509.A N THR 506.A O no hydrogen 3.065 N/A ALA 510.A N THR 506.A O no hydrogen 3.200 N/A SER 512.A N PHE 509.A O no hydrogen 2.794 N/A LYS 513.A N ALA 510.A O no hydrogen 2.542 N/A TYR 514.A N ALA 510.A O no hydrogen 2.719 N/A TYR 514.A OH ILE 470.A O no hydrogen 2.581 N/A LYS 517.A N ASP 319.A OD2 no hydrogen 3.125 N/A LEU 519.A N GLN 515.A O no hydrogen 2.733 N/A LEU 520.A N HIS 516.A O no hydrogen 3.297 N/A ILE 521.A N ASN 518.A O no hydrogen 2.786 N/A LEU 522.A N ASN 518.A O no hydrogen 2.870 N/A TYR 523.A N LEU 519.A O no hydrogen 2.959 N/A ASP 524.A N LEU 520.A O no hydrogen 3.340 N/A ALA 525.A N ILE 521.A O no hydrogen 2.734 N/A ILE 526.A N LEU 522.A O no hydrogen 3.081 N/A GLY 527.A N TYR 523.A O no hydrogen 3.057 N/A THR 528.A N ASP 524.A O no hydrogen 3.028 N/A THR 528.A OG1 ASP 524.A O no hydrogen 3.465 N/A LEU 529.A N ALA 525.A O no hydrogen 2.864 N/A ALA 530.A N ILE 526.A O no hydrogen 2.872 N/A ASP 531.A N GLY 527.A O no hydrogen 2.994 N/A SER 532.A N THR 528.A O no hydrogen 2.919 N/A SER 532.A OG THR 528.A O no hydrogen 3.040 N/A VAL 533.A N LEU 529.A O no hydrogen 2.940 N/A GLY 534.A N ALA 530.A O no hydrogen 3.180 N/A LEU 537.A N GLY 534.A O no hydrogen 2.939 N/A ASN 538.A N HIS 535.A O no hydrogen 2.659 N/A LYS 539.A N LEU 537.A O no hydrogen 3.031 N/A LYS 539.A NZ HIS 536.A O no hydrogen 3.522 N/A ILE 543.A N LYS 539.A O no hydrogen 3.162 N/A GLN 544.A N PRO 540.A O no hydrogen 2.979 N/A GLN 550.A N PRO 546.A O no hydrogen 3.082 N/A LYS 551.A N PRO 547.A O no hydrogen 3.323 N/A TRP 552.A N LEU 548.A O no hydrogen 2.931 N/A ASN 553.A N ILE 549.A O no hydrogen 3.022 N/A ASP 558.A N LYS 555.A O no hydrogen 3.205 N/A LYS 559.A NZ ASP 614.A OD2 no hydrogen 3.506 N/A ASP 560.A N ASP 558.A OD1 no hydrogen 3.349 N/A LEU 561.A N ASP 558.A O no hydrogen 3.021 N/A PHE 562.A N LYS 559.A O no hydrogen 2.863 N/A LEU 564.A N ASP 560.A O no hydrogen 3.105 N/A LEU 565.A N LEU 561.A O no hydrogen 2.634 N/A GLU 566.A N PHE 562.A O no hydrogen 2.697 N/A CYS 567.A N PRO 563.A O no hydrogen 2.833 N/A CYS 567.A SG TYR 523.A O no hydrogen 3.656 N/A LEU 568.A N LEU 564.A O no hydrogen 2.883 N/A SER 569.A N LEU 565.A O no hydrogen 2.698 N/A SER 570.A N CYS 567.A O no hydrogen 2.761 N/A SER 570.A OG ASP 531.A OD1 no hydrogen 3.099 N/A SER 570.A OG ASP 531.A OD2 no hydrogen 3.290 N/A VAL 571.A N CYS 567.A O no hydrogen 3.012 N/A ALA 572.A N LEU 568.A O no hydrogen 2.726 N/A THR 573.A N SER 570.A O no hydrogen 2.731 N/A THR 573.A OG1 SER 569.A O no hydrogen 3.188 N/A THR 573.A OG1 GLY 626.A O no hydrogen 3.211 N/A ALA 574.A N SER 570.A O no hydrogen 3.180 N/A ALA 574.A N VAL 571.A O no hydrogen 3.047 N/A LEU 575.A N VAL 571.A O no hydrogen 3.000 N/A GLY 578.A N LEU 575.A O no hydrogen 2.357 N/A LEU 580.A N SER 577.A O no hydrogen 3.058 N/A TYR 582.A N LEU 580.A O no hydrogen 2.232 N/A CYS 583.A N LEU 580.A O no hydrogen 2.784 N/A CYS 583.A SG LEU 580.A O no hydrogen 3.272 N/A TYR 587.A N CYS 583.A O no hydrogen 2.750 N/A TYR 587.A OH SER 642.A OG no hydrogen 2.644 N/A GLN 588.A N GLU 584.A O no hydrogen 2.804 N/A ARG 589.A N PRO 585.A O no hydrogen 2.840 N/A ARG 589.A NE ASP 556.A OD1 no hydrogen 2.887 N/A ARG 589.A NH1 TRP 552.A O no hydrogen 2.828 N/A ARG 589.A NH2 LEU 554.A O no hydrogen 2.829 N/A ARG 589.A NH2 ASP 556.A OD1 no hydrogen 3.030 N/A CYS 590.A N VAL 586.A O no hydrogen 3.350 N/A CYS 590.A SG VAL 586.A O no hydrogen 3.490 N/A CYS 590.A SG ALA 620.A O no hydrogen 3.618 N/A VAL 591.A N TYR 587.A O no hydrogen 3.122 N/A ASN 592.A N GLN 588.A O no hydrogen 2.999 N/A ASN 592.A ND2 GLN 588.A OE1 no hydrogen 2.644 N/A LEU 593.A N ARG 589.A O no hydrogen 2.934 N/A VAL 594.A N CYS 590.A O no hydrogen 2.974 N/A GLN 595.A N VAL 591.A O no hydrogen 2.908 N/A LYS 596.A N ASN 592.A O no hydrogen 2.791 N/A LYS 596.A NZ ASP 556.A OD2 no hydrogen 2.547 N/A THR 597.A N LEU 593.A O no hydrogen 2.818 N/A THR 597.A OG1 LEU 593.A O no hydrogen 2.807 N/A LEU 598.A N VAL 594.A O no hydrogen 2.980 N/A GLN 600.A N LYS 596.A O no hydrogen 2.822 N/A GLN 600.A NE2 GLU 611.A O no hydrogen 2.787 N/A ALA 601.A N THR 597.A O no hydrogen 2.964 N/A ASN 603.A N GLN 600.A O no hydrogen 3.095 N/A ASN 603.A ND2 TYR 610.A O no hydrogen 2.873 N/A ASN 604.A N ALA 601.A O no hydrogen 2.838 N/A GLN 606.A N LEU 602.A O no hydrogen 2.768 N/A GLN 609.A N GLN 606.A O no hydrogen 2.907 N/A TYR 610.A N GLN 606.A O no hydrogen 3.000 N/A LYS 615.A NZ ASP 652.A OD1 no hydrogen 3.448 N/A ASP 616.A N ASP 614.A OD1 no hydrogen 2.491 N/A PHE 617.A N ASP 614.A O no hydrogen 3.222 N/A VAL 619.A N ASP 616.A O no hydrogen 2.942 N/A ALA 620.A N PHE 617.A O no hydrogen 3.074 N/A ASP 622.A N ILE 618.A O no hydrogen 2.808 N/A LEU 623.A N VAL 619.A O no hydrogen 2.897 N/A LEU 624.A N ALA 620.A O no hydrogen 2.959 N/A SER 625.A N LEU 621.A O no hydrogen 2.935 N/A SER 625.A OG ASP 666.A OD2 no hydrogen 2.781 N/A GLY 626.A N LEU 623.A O no hydrogen 2.764 N/A LEU 627.A N LEU 623.A O no hydrogen 2.868 N/A ALA 628.A N LEU 624.A O no hydrogen 3.028 N/A GLY 630.A N GLY 626.A O no hydrogen 3.126 N/A LEU 631.A N LEU 627.A O no hydrogen 2.726 N/A ASN 634.A N LEU 631.A O no hydrogen 2.840 N/A GLU 636.A N GLY 633.A O no hydrogen 3.046 N/A VAL 639.A N ILE 635.A O no hydrogen 3.249 N/A ALA 640.A N GLU 636.A O no hydrogen 3.116 N/A ARG 641.A N GLN 637.A O no hydrogen 3.228 N/A ARG 641.A N LEU 638.A O no hydrogen 3.237 N/A SER 642.A N VAL 639.A O no hydrogen 2.807 N/A SER 642.A OG TYR 587.A OH no hydrogen 2.644 N/A SER 642.A OG LEU 638.A O no hydrogen 3.481 N/A SER 642.A OG VAL 639.A O no hydrogen 2.791 N/A ASN 643.A ND2 GLN 595.A OE1 no hydrogen 2.783 N/A THR 646.A N ASN 643.A O no hydrogen 3.133 N/A LEU 647.A N ASN 643.A O no hydrogen 2.930 N/A TYR 648.A OH ASP 681.A OD2 no hydrogen 2.652 N/A GLN 649.A N THR 646.A O no hydrogen 3.453 N/A CYS 650.A N LEU 647.A O no hydrogen 2.956 N/A CYS 650.A SG LEU 647.A O no hydrogen 3.208 N/A ASP 652.A N CYS 650.A O no hydrogen 3.112 N/A ARG 657.A NE ASP 652.A O no hydrogen 2.995 N/A ARG 657.A NH1 ASN 688.A OD1 no hydrogen 3.568 N/A GLN 658.A N PRO 654.A O no hydrogen 2.625 N/A GLN 658.A NE2 ARG 332.A O no hydrogen 2.789 N/A SER 659.A N GLU 655.A O no hydrogen 2.924 N/A SER 659.A OG SER 331.A OG no hydrogen 2.539 N/A SER 659.A OG ASP 622.A OD1 no hydrogen 2.680 N/A SER 659.A OG ASP 622.A OD2 no hydrogen 3.216 N/A SER 660.A N VAL 656.A O no hydrogen 2.990 N/A SER 660.A OG ARG 657.A O no hydrogen 2.846 N/A PHE 661.A N ARG 657.A O no hydrogen 3.236 N/A ALA 662.A N GLN 658.A O no hydrogen 3.436 N/A LEU 663.A N SER 659.A O no hydrogen 3.174 N/A LEU 664.A N SER 660.A O no hydrogen 2.778 N/A GLY 665.A N PHE 661.A O no hydrogen 2.988 N/A ASP 666.A N ALA 662.A O no hydrogen 3.269 N/A LEU 667.A N LEU 663.A O no hydrogen 2.700 N/A THR 668.A N LEU 664.A O no hydrogen 2.811 N/A THR 668.A OG1 LEU 664.A O no hydrogen 2.302 N/A LYS 669.A N GLY 665.A O no hydrogen 3.144 N/A LYS 669.A N ASP 666.A O no hydrogen 2.786 N/A ALA 670.A N ASP 666.A O no hydrogen 3.002 N/A CYS 671.A N LEU 667.A O no hydrogen 2.797 N/A CYS 671.A SG LEU 667.A O no hydrogen 3.866 N/A HIS 674.A N CYS 671.A O no hydrogen 2.894 N/A HIS 674.A NE2 GLU 636.A OE2 no hydrogen 2.510 N/A VAL 675.A N PHE 672.A O no hydrogen 2.646 N/A LYS 676.A N PHE 672.A O no hydrogen 2.693 N/A LYS 676.A NZ GLU 713.A OE1 no hydrogen 3.268 N/A LYS 676.A NZ GLU 713.A OE2 no hydrogen 3.224 N/A CYS 678.A N VAL 675.A O no hydrogen 2.542 N/A CYS 678.A SG TYR 648.A OH no hydrogen 3.493 N/A ILE 679.A N LYS 676.A O no hydrogen 2.951 N/A ASP 681.A N CYS 678.A O no hydrogen 2.775 N/A PHE 682.A N CYS 678.A O no hydrogen 2.892 N/A LEU 685.A N PHE 682.A O no hydrogen 3.050 N/A THR 687.A N PRO 683.A O no hydrogen 3.015 N/A THR 687.A OG1 PRO 683.A O no hydrogen 3.405 N/A ASN 688.A N LEU 685.A O no hydrogen 2.856 N/A ASN 688.A ND2 ILE 684.A O no hydrogen 3.048 N/A LEU 689.A N GLY 686.A O no hydrogen 3.218 N/A PHE 693.A N ASN 690.A O no hydrogen 3.362 N/A VAL 696.A N PHE 693.A O no hydrogen 2.915 N/A CYS 697.A N PHE 693.A O no hydrogen 3.008 N/A ASN 698.A N ILE 694.A O no hydrogen 2.497 N/A ASN 698.A ND2 VAL 334.A O no hydrogen 2.958 N/A ASN 698.A ND2 ASN 699.A OD1 no hydrogen 2.872 N/A ASN 699.A N SER 695.A O no hydrogen 3.256 N/A ASN 699.A ND2 ARG 332.A O no hydrogen 2.942 N/A ASN 699.A ND2 GLN 658.A O no hydrogen 2.863 N/A ALA 700.A N VAL 696.A O no hydrogen 2.879 N/A THR 701.A N CYS 697.A O no hydrogen 2.764 N/A THR 701.A OG1 CYS 697.A O no hydrogen 2.810 N/A TRP 702.A N ASN 698.A O no hydrogen 3.163 N/A TRP 702.A NE1 GLU 777.A OE1 no hydrogen 2.867 N/A ALA 703.A N ASN 699.A O no hydrogen 2.961 N/A ILE 704.A N ALA 700.A O no hydrogen 3.030 N/A GLY 705.A N THR 701.A O no hydrogen 3.128 N/A GLU 706.A N TRP 702.A O no hydrogen 3.247 N/A ILE 707.A N ALA 703.A O no hydrogen 3.126 N/A SER 708.A N ILE 704.A O no hydrogen 3.008 N/A SER 708.A OG ILE 704.A O no hydrogen 3.516 N/A SER 708.A OG GLY 705.A O no hydrogen 3.085 N/A GLN 710.A N GLU 706.A O no hydrogen 3.388 N/A ILE 717.A N GLN 714.A O no hydrogen 3.376 N/A LEU 720.A N ILE 717.A O no hydrogen 2.686 N/A LEU 723.A N VAL 719.A O no hydrogen 3.073 N/A VAL 724.A N LEU 720.A O no hydrogen 3.025 N/A GLU 725.A N HIS 721.A O no hydrogen 2.966 N/A ILE 726.A N GLN 722.A O no hydrogen 2.953 N/A ILE 727.A N LEU 723.A O no hydrogen 2.956 N/A ASN 728.A N GLU 725.A O no hydrogen 3.181 N/A ASN 728.A ND2 VAL 724.A O no hydrogen 3.048 N/A ASN 728.A ND2 GLN 760.A O no hydrogen 2.806 N/A ARG 729.A N ILE 726.A O no hydrogen 2.661 N/A ARG 729.A NH1 THR 732.A OG1 no hydrogen 2.927 N/A THR 732.A OG1 ARG 729.A O no hydrogen 2.623 N/A LEU 737.A N PRO 733.A O no hydrogen 3.197 N/A GLU 738.A N LYS 734.A O no hydrogen 2.812 N/A ASN 739.A N THR 735.A O no hydrogen 3.040 N/A ASN 739.A ND2 VAL 334.A O no hydrogen 3.077 N/A ASN 739.A ND2 ASN 698.A OD1 no hydrogen 2.639 N/A THR 740.A N LEU 736.A O no hydrogen 2.978 N/A THR 740.A OG1 LEU 736.A O no hydrogen 2.655 N/A ALA 741.A N LEU 737.A O no hydrogen 2.918 N/A ILE 742.A N GLU 738.A O no hydrogen 2.871 N/A THR 743.A N ASN 739.A O no hydrogen 2.687 N/A THR 743.A OG1 THR 701.A O no hydrogen 3.161 N/A THR 743.A OG1 ASN 739.A O no hydrogen 3.346 N/A ILE 744.A N THR 740.A O no hydrogen 2.865 N/A GLY 745.A N ALA 741.A O no hydrogen 2.922 N/A ARG 746.A N ILE 742.A O no hydrogen 2.956 N/A ARG 746.A NE SER 780.A OG no hydrogen 2.995 N/A LEU 747.A N THR 743.A O no hydrogen 2.878 N/A GLY 748.A N ILE 744.A O no hydrogen 2.965 N/A TYR 749.A N GLY 745.A O no hydrogen 2.777 N/A VAL 750.A N ARG 746.A O no hydrogen 2.936 N/A VAL 750.A N LEU 747.A O no hydrogen 3.022 N/A CYS 751.A N LEU 747.A O no hydrogen 2.815 N/A GLU 754.A N CYS 751.A O no hydrogen 3.164 N/A VAL 755.A N CYS 751.A O no hydrogen 3.165 N/A ALA 756.A N PRO 752.A O no hydrogen 2.689 N/A PHE 761.A N LEU 758.A O no hydrogen 3.293 N/A ILE 762.A N LEU 758.A O no hydrogen 2.911 N/A ARG 763.A NH1 ASP 798.A OD2 no hydrogen 3.098 N/A TRP 765.A N PHE 761.A O no hydrogen 2.864 N/A CYS 766.A N ILE 762.A O no hydrogen 3.093 N/A CYS 766.A SG ILE 762.A O no hydrogen 3.018 N/A THR 767.A N ARG 763.A O no hydrogen 3.031 N/A THR 767.A OG1 ARG 763.A O no hydrogen 3.124 N/A SER 768.A N PRO 764.A O no hydrogen 2.882 N/A LEU 769.A N TRP 765.A O no hydrogen 2.937 N/A ARG 770.A N CYS 766.A O no hydrogen 2.890 N/A ARG 770.A NE ASP 804.A OD1 no hydrogen 3.532 N/A ARG 770.A NE ASP 804.A OD2 no hydrogen 2.654 N/A ASN 771.A N SER 768.A O no hydrogen 3.303 N/A ILE 772.A N LEU 769.A O no hydrogen 3.185 N/A ARG 773.A N GLN 337.A O no hydrogen 3.268 N/A ASN 775.A ND2 GLN 336.A OE1 no hydrogen 3.185 N/A ASN 775.A ND2 GLN 337.A OE1 no hydrogen 3.332 N/A LYS 778.A N ASN 775.A OD1 no hydrogen 2.527 N/A LYS 778.A NZ ILE 772.A O no hydrogen 3.356 N/A LYS 778.A NZ ASP 774.A OD1 no hydrogen 3.266 N/A LYS 778.A NZ SER 808.A O no hydrogen 3.473 N/A LYS 778.A NZ SER 808.A OG no hydrogen 3.205 N/A ASP 779.A N ASN 775.A O no hydrogen 2.905 N/A SER 780.A N GLU 776.A O no hydrogen 2.938 N/A SER 780.A OG GLU 777.A O no hydrogen 2.957 N/A ALA 781.A N GLU 777.A O no hydrogen 3.102 N/A PHE 782.A N LYS 778.A O no hydrogen 3.037 N/A ARG 783.A N ASP 779.A O no hydrogen 3.008 N/A ARG 783.A NH1 ASP 779.A OD2 no hydrogen 3.136 N/A GLY 784.A N SER 780.A O no hydrogen 2.961 N/A ILE 785.A N ALA 781.A O no hydrogen 3.143 N/A CYS 786.A N PHE 782.A O no hydrogen 2.944 N/A CYS 786.A SG PHE 782.A O no hydrogen 3.411 N/A THR 787.A N ARG 783.A O no hydrogen 2.891 N/A THR 787.A OG1 ARG 783.A O no hydrogen 2.597 N/A SER 789.A N CYS 786.A O no hydrogen 3.262 N/A SER 789.A OG THR 787.A O no hydrogen 2.503 N/A VAL 790.A N THR 787.A O no hydrogen 3.408 N/A GLY 794.A N ASN 791.A O no hydrogen 3.040 N/A VAL 795.A N PRO 792.A O no hydrogen 2.937 N/A ILE 796.A N PRO 792.A O no hydrogen 3.094 N/A ASP 798.A N VAL 795.A O no hydrogen 2.711 N/A PHE 799.A N ILE 796.A O no hydrogen 2.892 N/A PHE 801.A N ASP 798.A O no hydrogen 3.238 N/A CYS 803.A N PHE 799.A O no hydrogen 3.248 N/A CYS 803.A SG PHE 799.A O no hydrogen 3.559 N/A ASP 804.A N ILE 800.A O no hydrogen 3.357 N/A ALA 805.A N PHE 801.A O no hydrogen 3.166 N/A VAL 806.A N PHE 802.A O no hydrogen 2.728 N/A ALA 807.A N CYS 803.A O no hydrogen 2.878 N/A SER 808.A N ALA 805.A O no hydrogen 3.181 N/A SER 808.A OG ALA 805.A O no hydrogen 2.672 N/A TRP 809.A N VAL 806.A O no hydrogen 3.071 N/A ILE 810.A N ASP 774.A OD2 no hydrogen 3.138 N/A ASN 811.A ND2 ASN 811.A O no hydrogen 2.393 N/A ARG 817.A N LYS 813.A O no hydrogen 2.834 N/A ARG 817.A NE ALA 852.A O no hydrogen 3.341 N/A ARG 817.A NH2 ALA 852.A O no hydrogen 2.604 N/A ASP 818.A N ASP 814.A O no hydrogen 3.070 N/A ASP 818.A N ASP 815.A O no hydrogen 3.338 N/A CYS 820.A N ARG 817.A O no hydrogen 3.286 N/A LYS 821.A NZ ASP 818.A O no hydrogen 3.405 N/A LEU 823.A N PHE 819.A O no hydrogen 2.867 N/A HIS 824.A N CYS 820.A O no hydrogen 2.951 N/A GLY 825.A N LYS 821.A O no hydrogen 2.753 N/A PHE 826.A N ILE 822.A O no hydrogen 2.952 N/A LYS 827.A N LEU 823.A O no hydrogen 2.845 N/A ASN 828.A N HIS 824.A O no hydrogen 2.960 N/A GLN 829.A N PHE 826.A O no hydrogen 2.670 N/A VAL 830.A N PHE 826.A O no hydrogen 3.102 N/A VAL 830.A N LYS 827.A O no hydrogen 3.252 N/A GLY 831.A N LYS 827.A O no hydrogen 2.822 N/A ASN 834.A ND2 VAL 830.A O no hydrogen 2.750 N/A TRP 835.A N GLY 831.A O no hydrogen 2.992 N/A ARG 836.A N ASP 832.A O no hydrogen 2.894 N/A ARG 837.A N GLU 833.A O no hydrogen 2.947 N/A ARG 837.A NH2 ASN 834.A OD1 no hydrogen 3.396 N/A PHE 838.A N ASN 834.A O no hydrogen 2.758 N/A SER 839.A N TRP 835.A O no hydrogen 2.956 N/A ASP 840.A N ARG 836.A O no hydrogen 3.142 N/A ASP 840.A N ARG 837.A O no hydrogen 3.183 N/A GLN 841.A N ARG 837.A O no hydrogen 3.359 N/A GLN 841.A N PHE 838.A O no hydrogen 2.935 N/A LYS 847.A N PRO 843.A O no hydrogen 3.296 N/A LYS 847.A NZ ASP 840.A OD1 no hydrogen 3.539 N/A LYS 847.A NZ ASP 840.A OD2 no hydrogen 3.151 N/A GLU 848.A N LEU 844.A O no hydrogen 2.962 N/A GLU 848.A N PRO 845.A O no hydrogen 3.091 N/A ARG 849.A N PRO 845.A O no hydrogen 3.077 N/A ARG 849.A NH1 ALA 807.A O no hydrogen 3.068 N/A LEU 850.A N LEU 846.A O no hydrogen 2.827 N/A ALA 851.A N LYS 847.A O no hydrogen 3.181 N/A ALA 852.A N GLU 848.A O no hydrogen 2.758 N/A PHE 853.A N ARG 849.A O no hydrogen 3.073 N/A TYR 854.A N LEU 850.A O no hydrogen 3.001 N/A GLY 855.A N HIS 824.A NE2 no hydrogen 3.160 N/A