Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7m6i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASP 147.A OD1 no hydrogen 3.357 N/A SER 5.A OG SER 34.A O no hydrogen 2.485 N/A PHE 6.A N ASN 4.A O no hydrogen 2.905 N/A THR 7.A OG1 GLY 151.A O no hydrogen 2.699 N/A ARG 8.A NH1 PRO 149.A O no hydrogen 2.863 N/A TYR 11.A OH ASP 27.A OD2 no hydrogen 2.383 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.234 N/A TYR 12.A N LEU 155.A O no hydrogen 2.953 N/A VAL 16.A N ASP 14.A O no hydrogen 3.199 N/A ARG 18.A NH1 ASP 14.A OD1 no hydrogen 3.183 N/A ARG 18.A NH1 ASP 14.A OD2 no hydrogen 3.208 N/A ARG 18.A NH2 ASP 14.A OD2 no hydrogen 3.382 N/A SER 19.A OG GLU 196.A O no hydrogen 3.552 N/A SER 20.A N ASN 195.A O no hydrogen 3.186 N/A SER 20.A OG SER 19.A O no hydrogen 2.611 N/A HIS 23.A N LEU 192.A O no hydrogen 3.080 N/A THR 25.A N PHE 190.A O no hydrogen 3.097 N/A ASP 27.A N ARG 188.A O no hydrogen 3.108 N/A PHE 29.A N GLN 186.A O no hydrogen 2.877 N/A PHE 32.A N ASP 205.A OD2 no hydrogen 3.216 N/A PHE 33.A N SER 5.A O no hydrogen 3.322 N/A SER 34.A OG PRO 31.A O no hydrogen 2.694 N/A THR 37.A N VAL 182.A O no hydrogen 2.738 N/A THR 37.A OG1 VAL 182.A O no hydrogen 2.795 N/A PHE 52.A N THR 168.A O no hydrogen 3.043 N/A TYR 57.A N GLY 183.A O no hydrogen 2.583 N/A PHE 58.A N PHE 124.A O no hydrogen 3.409 N/A ALA 59.A N TYR 181.A O no hydrogen 2.772 N/A THR 61.A N ALA 179.A O no hydrogen 3.211 N/A ILE 67.A N GLU 62.A OE1 no hydrogen 2.549 N/A ARG 68.A N LEU 173.A O no hydrogen 3.067 N/A GLY 69.A N LEU 173.A O no hydrogen 3.126 N/A ILE 71.A N GLN 171.A O no hydrogen 2.964 N/A THR 74.A OG1 ASN 166.A O no hydrogen 2.646 N/A SER 78.A OG SER 78.A O no hydrogen 2.486 N/A SER 78.A OG GLU 98.A O no hydrogen 2.912 N/A SER 78.A OG PHE 99.A O no hydrogen 3.222 N/A LYS 79.A N ASP 77.A OD1 no hydrogen 3.214 N/A THR 80.A OG1 GLN 81.A OE1 no hydrogen 2.678 N/A GLN 81.A N GLN 81.A OE1 no hydrogen 2.753 N/A SER 82.A OG CYS 97.A O no hydrogen 3.446 N/A LEU 84.A N LYS 95.A O no hydrogen 2.840 N/A ILE 85.A N TRP 70.A O no hydrogen 3.298 N/A VAL 86.A N VAL 93.A O no hydrogen 3.240 N/A ASN 88.A N ASN 91.A O no hydrogen 3.175 N/A THR 90.A OG1 ASN 91.A OD1 no hydrogen 3.272 N/A ASN 91.A N ASN 88.A OD1 no hydrogen 3.383 N/A VAL 93.A N VAL 86.A O no hydrogen 2.993 N/A LYS 95.A N LEU 84.A O no hydrogen 3.306 N/A PHE 99.A N CYS 97.A O no hydrogen 2.601 N/A GLN 100.A NE2 PHE 101.A O no hydrogen 2.365 N/A CYS 102.A SG ASP 104.A O no hydrogen 3.188 N/A CYS 111.A SG THR 112.A O no hydrogen 3.862 N/A PHE 113.A N THR 112.A OG1 no hydrogen 2.502 N/A LYS 119.A NZ ASN 143.A OD1 no hydrogen 2.380 N/A LEU 121.A N THR 140.A O no hydrogen 2.411 N/A GLU 123.A N LYS 138.A O no hydrogen 2.766 N/A PHE 124.A N PHE 58.A O no hydrogen 3.427 N/A VAL 125.A N TYR 136.A O no hydrogen 3.297 N/A LYS 127.A NZ TYR 11.A OH no hydrogen 3.022 N/A LYS 127.A NZ ASP 27.A OD2 no hydrogen 2.684 N/A ILE 129.A N TYR 132.A O no hydrogen 3.217 N/A TYR 132.A N ILE 129.A O no hydrogen 2.603 N/A PHE 133.A N LEU 161.A O no hydrogen 2.572 N/A LYS 134.A N LYS 127.A O no hydrogen 3.317 N/A LYS 138.A N GLU 123.A O no hydrogen 2.924 N/A THR 140.A N LEU 121.A O no hydrogen 2.733 N/A ILE 142.A N LYS 119.A O no hydrogen 3.187 N/A ARG 146.A NE ARG 146.A O no hydrogen 3.235 N/A LEU 155.A N VAL 10.A O no hydrogen 3.200 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.582 N/A LEU 158.A N ILE 135.A O no hydrogen 2.579 N/A LEU 161.A N PHE 133.A O no hydrogen 2.909 N/A PHE 170.A N LEU 50.A O no hydrogen 3.328 N/A GLN 171.A N ILE 71.A O no hydrogen 2.831 N/A GLN 171.A NE2 ASN 47.A O no hydrogen 3.482 N/A LEU 173.A N GLY 69.A O no hydrogen 2.982 N/A ALA 175.A N ILE 66.A O no hydrogen 2.553 N/A TYR 180.A N PHE 39.A O no hydrogen 3.484 N/A TYR 181.A N ALA 59.A O no hydrogen 3.041 N/A VAL 182.A N THR 37.A O no hydrogen 2.773 N/A GLY 183.A N TYR 57.A O no hydrogen 2.914 N/A LEU 185.A N GLY 55.A O no hydrogen 3.022 N/A GLN 186.A N PHE 29.A O no hydrogen 3.097 N/A ARG 188.A N ASP 27.A O no hydrogen 2.968 N/A THR 189.A OG1 GLN 26.A OE1 no hydrogen 2.366 N/A PHE 190.A N THR 25.A O no hydrogen 3.207 N/A LEU 191.A N VAL 204.A O no hydrogen 3.165 N/A LEU 192.A N HIS 23.A O no hydrogen 2.652 N/A LYS 193.A N ASP 202.A O no hydrogen 2.930 N/A ASN 195.A N THR 199.A O no hydrogen 3.101 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.657 N/A GLY 198.A N ASN 195.A O no hydrogen 3.353 N/A VAL 204.A N LEU 191.A O no hydrogen 2.984 N/A CYS 206.A N THR 189.A O no hydrogen 3.458 N/A CYS 206.A SG THR 189.A O no hydrogen 3.165 N/A ASP 209.A N SER 212.A OG no hydrogen 2.942 N/A SER 212.A OG ASP 205.A O no hydrogen 2.787 N/A SER 212.A OG CYS 206.A O no hydrogen 3.197 N/A SER 212.A OG ASP 209.A O no hydrogen 2.419 N/A GLU 213.A N ASP 209.A O no hydrogen 2.850 N/A THR 214.A N PRO 210.A O no hydrogen 3.000 N/A THR 214.A OG1 PRO 210.A O no hydrogen 2.768 N/A LYS 215.A N LEU 211.A O no hydrogen 2.914 N/A LYS 215.A NZ PHE 221.A O no hydrogen 2.317 N/A CYS 216.A N SER 212.A O no hydrogen 3.345 N/A CYS 216.A SG SER 212.A O no hydrogen 3.234 N/A THR 217.A N GLU 213.A O no hydrogen 2.990 N/A THR 217.A OG1 GLU 213.A O no hydrogen 3.498 N/A THR 217.A OG1 THR 214.A O no hydrogen 2.640 N/A LEU 218.A N THR 214.A O no hydrogen 2.877 N/A LYS 219.A N CYS 216.A O no hydrogen 3.013 N/A LYS 219.A NZ SER 24.A OG no hydrogen 3.035 N/A SER 220.A N LYS 215.A O no hydrogen 3.087 N/A SER 220.A OG THR 222.A O no hydrogen 2.691 N/A THR 230.A N VAL 508.A O no hydrogen 3.324 N/A THR 230.A OG1 GLU 213.A OE1 no hydrogen 3.320 N/A PHE 233.A N GLY 506.A O no hydrogen 2.911 N/A ARG 234.A NH1 CYS 503.A O no hydrogen 3.206 N/A ILE 241.A N ASN 453.A O no hydrogen 3.230 N/A ARG 243.A NE GLN 493.A OE1 no hydrogen 2.627 N/A ASN 249.A ND2 ASN 275.A O no hydrogen 3.691 N/A CYS 251.A SG VAL 277.A O no hydrogen 3.167 N/A VAL 256.A N PHE 253.A O no hydrogen 3.274 N/A PHE 257.A N PHE 253.A O no hydrogen 2.732 N/A TYR 266.A N LEU 365.A O no hydrogen 3.376 N/A ALA 267.A N SER 264.A OG no hydrogen 3.363 N/A CYS 276.A N THR 436.A O no hydrogen 3.343 N/A VAL 277.A N ASN 249.A O no hydrogen 3.179 N/A ALA 278.A N CYS 438.A O no hydrogen 2.560 N/A SER 281.A N ASP 279.A OD1 no hydrogen 3.130 N/A SER 281.A OG ASP 279.A OD1 no hydrogen 2.446 N/A SER 281.A OG ASP 279.A OD2 no hydrogen 3.537 N/A TYR 284.A N TYR 280.A O no hydrogen 2.916 N/A ASN 285.A N SER 281.A O no hydrogen 2.789 N/A SER 286.A N VAL 282.A O no hydrogen 3.084 N/A SER 286.A OG SER 288.A OG no hydrogen 3.126 N/A SER 288.A OG SER 286.A OG no hydrogen 3.126 N/A SER 290.A N ALA 350.A O no hydrogen 2.775 N/A SER 290.A OG ALA 350.A O no hydrogen 2.863 N/A THR 291.A N ALA 350.A O no hydrogen 3.279 N/A LYS 293.A NZ TYR 295.A OH no hydrogen 2.290 N/A CYS 294.A SG PHE 292.A O no hydrogen 3.287 N/A TYR 295.A N GLY 346.A O no hydrogen 2.908 N/A GLY 296.A N GLY 346.A O no hydrogen 3.394 N/A THR 300.A OG1 TYR 284.A OH no hydrogen 3.158 N/A PHE 307.A N VAL 437.A O no hydrogen 3.358 N/A THR 308.A OG1 PRO 434.A O no hydrogen 3.174 N/A ASN 309.A ND2 TYR 311.A OH no hydrogen 3.111 N/A TYR 311.A N SER 427.A O no hydrogen 2.796 N/A ASP 313.A N VAL 425.A O no hydrogen 2.534 N/A PHE 315.A N VAL 423.A O no hydrogen 3.514 N/A ILE 317.A N TYR 421.A O no hydrogen 2.853 N/A ARG 318.A N GLU 321.A OE1 no hydrogen 3.249 N/A ARG 318.A NH1 TYR 418.A O no hydrogen 3.322 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.774 N/A GLN 324.A N ASP 320.A O no hydrogen 3.109 N/A ILE 325.A N GLU 321.A O no hydrogen 2.833 N/A GLN 329.A N ALA 326.A O no hydrogen 3.452 N/A GLN 329.A NE2 THR 330.A O no hydrogen 2.810 N/A ASP 335.A N GLY 331.A O no hydrogen 2.911 N/A TYR 336.A N LYS 332.A O no hydrogen 2.900 N/A ASN 337.A N ILE 333.A O no hydrogen 2.930 N/A ASN 337.A ND2 ARG 367.A O no hydrogen 2.381 N/A TYR 338.A N ILE 333.A O no hydrogen 3.186 N/A TYR 338.A OH ASP 313.A OD2 no hydrogen 2.252 N/A LYS 339.A NZ GLN 329.A O no hydrogen 3.308 N/A PHE 344.A N PRO 341.A O no hydrogen 3.021 N/A THR 345.A OG1 PHE 428.A O no hydrogen 2.598 N/A VAL 348.A N LYS 293.A O no hydrogen 3.217 N/A ILE 349.A N VAL 424.A O no hydrogen 3.035 N/A ALA 350.A N THR 291.A O no hydrogen 3.133 N/A TRP 351.A N ARG 422.A O no hydrogen 2.638 N/A SER 353.A OG SER 353.A O no hydrogen 2.502 N/A ASP 357.A N SER 353.A O no hydrogen 2.931 N/A SER 358.A OG ASP 357.A O no hydrogen 2.550 N/A ASN 361.A N LYS 359.A O no hydrogen 3.139 N/A ASN 361.A ND2 ASN 363.A OD1 no hydrogen 2.556 N/A TYR 364.A OH ALA 263.A O no hydrogen 3.084 N/A TYR 366.A N GLN 406.A O no hydrogen 2.966 N/A TYR 366.A OH GLN 406.A OE1 no hydrogen 2.996 N/A LEU 368.A N PRO 404.A O no hydrogen 2.821 N/A ASN 373.A ND2 SER 372.A O no hydrogen 2.991 N/A ARG 379.A NH1 TRP 268.A O no hydrogen 3.256 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 2.812 N/A TYR 386.A OH ASN 394.A O no hydrogen 2.954 N/A GLN 387.A NE2 GLU 384.A OE2 no hydrogen 3.069 N/A GLN 406.A N PRO 404.A O no hydrogen 2.756 N/A TYR 408.A N TYR 364.A O no hydrogen 2.683 N/A PHE 410.A N ASN 361.A O no hydrogen 3.062 N/A ASN 414.A N GLN 411.A O no hydrogen 2.923 N/A ASN 414.A ND2 TYR 418.A O no hydrogen 2.910 N/A GLN 419.A N VAL 416.A O no hydrogen 3.119 N/A GLN 419.A NE2 PRO 420.A O no hydrogen 3.636 N/A TYR 421.A N ILE 317.A O no hydrogen 2.598 N/A ARG 422.A N TRP 351.A O no hydrogen 2.825 N/A ARG 422.A NE ASP 357.A OD2 no hydrogen 3.401 N/A ARG 422.A NH1 ALA 259.A O no hydrogen 3.454 N/A ARG 422.A NH2 THR 260.A O no hydrogen 3.482 N/A VAL 423.A N PHE 315.A O no hydrogen 3.298 N/A VAL 424.A N ILE 349.A O no hydrogen 2.576 N/A VAL 425.A N ASP 313.A O no hydrogen 2.845 N/A SER 427.A N TYR 311.A O no hydrogen 2.364 N/A PHE 428.A N THR 345.A O no hydrogen 3.358 N/A GLU 429.A N ASN 309.A O no hydrogen 3.296 N/A THR 436.A N THR 308.A O no hydrogen 3.002 N/A THR 436.A OG1 THR 308.A O no hydrogen 2.621 N/A CYS 438.A SG VAL 437.A O no hydrogen 3.182 N/A LYS 441.A N GLY 439.A O no hydrogen 2.992 N/A LYS 441.A NZ ASP 304.A O no hydrogen 3.144 N/A THR 444.A OG1 ASN 445.A OD1 no hydrogen 3.263 N/A ASN 449.A N LEU 465.A O no hydrogen 2.860 N/A CYS 451.A SG VAL 235.A O no hydrogen 3.456 N/A VAL 452.A N GLY 463.A O no hydrogen 3.293 N/A PHE 454.A N GLY 461.A O no hydrogen 3.023 N/A ASN 455.A N ILE 241.A O no hydrogen 3.209 N/A ASN 457.A N ARG 243.A O no hydrogen 3.326 N/A LEU 459.A N PHE 456.A O no hydrogen 2.737 N/A THR 460.A OG1 ASN 455.A OD1 no hydrogen 2.311 N/A GLY 463.A N VAL 452.A O no hydrogen 3.371 N/A VAL 464.A N THR 501.A O no hydrogen 2.415 N/A THR 466.A N ASP 499.A O no hydrogen 3.365 N/A THR 466.A OG1 GLU 467.A O no hydrogen 3.398 N/A SER 468.A OG ILE 497.A O no hydrogen 2.723 N/A LEU 473.A N GLN 476.A OE1 no hydrogen 2.499 N/A GLN 476.A N LEU 473.A O no hydrogen 3.160 N/A GLY 479.A N ALA 488.A O no hydrogen 2.447 N/A ASP 484.A N ASP 481.A O no hydrogen 3.160 N/A VAL 489.A N LEU 498.A O no hydrogen 2.706 N/A ARG 490.A N GLN 477.A O no hydrogen 3.278 N/A ARG 490.A NH1 PRO 474.A O no hydrogen 2.656 N/A ARG 490.A NH2 LEU 473.A O no hydrogen 3.326 N/A ARG 490.A NH2 PRO 474.A O no hydrogen 3.257 N/A ASP 491.A N GLU 496.A O no hydrogen 2.803 N/A THR 494.A OG1 GLU 496.A OE1 no hydrogen 3.044 N/A THR 494.A OG1 GLU 496.A OE2 no hydrogen 2.978 N/A GLU 496.A N THR 494.A O no hydrogen 2.818 N/A LEU 498.A N VAL 489.A O no hydrogen 2.660 N/A ASP 499.A N THR 466.A O no hydrogen 2.928 N/A ILE 500.A N ASP 487.A O no hydrogen 2.434 N/A THR 501.A N VAL 464.A O no hydrogen 3.202 N/A SER 509.A N LEU 524.A O no hydrogen 3.075 N/A VAL 510.A N TYR 228.A O no hydrogen 3.231 N/A ILE 511.A N ALA 522.A O no hydrogen 2.812 N/A THR 517.A N ASN 516.A OD1 no hydrogen 2.649 N/A THR 517.A OG1 GLY 514.A O no hydrogen 3.460 N/A THR 517.A OG1 ASN 516.A OD1 no hydrogen 3.004 N/A SER 518.A N THR 515.A O no hydrogen 3.300 N/A GLN 520.A N SER 518.A OG no hydrogen 3.163 N/A ALA 522.A N ILE 511.A O no hydrogen 3.279 N/A VAL 523.A N ILE 544.A O no hydrogen 2.958 N/A LEU 524.A N SER 509.A O no hydrogen 2.777 N/A TYR 525.A N CYS 542.A O no hydrogen 3.078 N/A GLN 526.A N GLY 507.A O no hydrogen 2.851 N/A ASP 527.A N ALA 540.A O no hydrogen 3.121 N/A CYS 530.A N GLN 537.A OE1 no hydrogen 3.003 N/A CYS 530.A SG GLN 537.A OE1 no hydrogen 3.179 N/A THR 531.A N ASN 529.A O no hydrogen 2.777 N/A THR 531.A OG1 GLU 532.A OE1 no hydrogen 3.071 N/A THR 531.A OG1 GLU 532.A OE2 no hydrogen 3.450 N/A GLU 532.A N GLU 532.A OE1 no hydrogen 2.813 N/A PHE 536.A N LEU 543.A O no hydrogen 2.875 N/A GLN 537.A NE2 THR 538.A O no hydrogen 2.430 N/A THR 538.A N GLY 541.A O no hydrogen 3.401 N/A CYS 542.A N VAL 528.A O no hydrogen 3.033 N/A LEU 543.A N PHE 536.A O no hydrogen 2.971 N/A ILE 544.A N VAL 523.A O no hydrogen 2.994 N/A GLU 547.A N ILE 573.A O no hydrogen 3.301 N/A VAL 549.A N ALA 575.A O no hydrogen 3.113 N/A ILE 557.A N ALA 565.A O no hydrogen 2.600 N/A ILE 559.A N ILE 563.A O no hydrogen 2.719 N/A ILE 563.A N GLY 560.A O no hydrogen 3.267 N/A CYS 564.A N TYR 576.A O no hydrogen 3.256 N/A ALA 565.A N ILE 557.A O no hydrogen 2.488 N/A SER 566.A OG GLN 568.A OE1 no hydrogen 2.322 N/A GLN 568.A N SER 572.A O no hydrogen 3.314 N/A SER 572.A N GLN 568.A O no hydrogen 3.185 N/A ILE 574.A N SER 566.A O no hydrogen 3.369 N/A ALA 575.A N GLU 547.A O no hydrogen 2.909 N/A TYR 576.A N CYS 564.A O no hydrogen 3.407 N/A TYR 576.A OH GLU 554.A O no hydrogen 2.873 N/A MET 578.A N GLY 562.A O no hydrogen 2.765 N/A SER 579.A N TYR 553.A O no hydrogen 3.210 N/A TYR 588.A N VAL 586.A O no hydrogen 2.803 N/A SER 589.A OG ASN 591.A OD1 no hydrogen 3.470 N/A ILE 593.A N PHE 930.A O no hydrogen 2.816 N/A THR 597.A N GLN 926.A O no hydrogen 2.708 N/A THR 600.A N VAL 923.A O no hydrogen 2.798 N/A SER 602.A N THR 921.A O no hydrogen 3.306 N/A THR 604.A N HIS 919.A O no hydrogen 3.063 N/A GLU 606.A N PHE 917.A O no hydrogen 3.139 N/A LEU 608.A N VAL 915.A O no hydrogen 3.291 N/A VAL 610.A N HIS 913.A O no hydrogen 3.521 N/A SER 611.A N HIS 913.A O no hydrogen 3.325 N/A SER 611.A OG MET 612.A O no hydrogen 3.060 N/A LYS 614.A NZ ASP 656.A OD2 no hydrogen 2.484 N/A LYS 614.A NZ PRO 717.A O no hydrogen 3.074 N/A THR 615.A OG1 TYR 862.A OH no hydrogen 3.417 N/A SER 616.A N THR 714.A O no hydrogen 2.752 N/A ASP 618.A N GLY 712.A O no hydrogen 3.080 N/A THR 620.A N ASP 618.A OD1 no hydrogen 3.216 N/A ILE 623.A N CYS 619.A O no hydrogen 3.095 N/A CYS 624.A N THR 620.A O no hydrogen 2.727 N/A ASP 626.A N CYS 624.A O no hydrogen 2.569 N/A THR 628.A OG1 GLU 629.A OE1 no hydrogen 3.062 N/A GLU 629.A N GLU 629.A OE1 no hydrogen 2.594 N/A CYS 630.A N SER 627.A OG no hydrogen 3.180 N/A SER 631.A N SER 627.A O no hydrogen 2.896 N/A SER 631.A OG THR 628.A O no hydrogen 2.338 N/A ASN 632.A N THR 628.A O no hydrogen 2.888 N/A LEU 633.A N GLU 629.A O no hydrogen 3.000 N/A LEU 634.A N CYS 630.A O no hydrogen 2.936 N/A LEU 635.A N SER 631.A O no hydrogen 2.808 N/A GLN 636.A N ASN 632.A O no hydrogen 3.111 N/A GLN 636.A N LEU 633.A O no hydrogen 3.208 N/A TYR 637.A N LEU 634.A O no hydrogen 3.155 N/A TYR 637.A OH ASP 849.A OD1 no hydrogen 2.659 N/A GLY 638.A N LEU 635.A O no hydrogen 3.070 N/A GLN 643.A N SER 639.A O no hydrogen 3.048 N/A LEU 644.A N PHE 640.A O no hydrogen 2.860 N/A ASN 645.A N CYS 641.A O no hydrogen 2.806 N/A ASN 645.A ND2 VAL 617.A O no hydrogen 2.440 N/A ARG 646.A N THR 642.A O no hydrogen 2.948 N/A ALA 647.A N GLN 643.A O no hydrogen 2.841 N/A LEU 648.A N LEU 644.A O no hydrogen 2.963 N/A THR 649.A N ASN 645.A O no hydrogen 2.844 N/A THR 649.A OG1 ASN 645.A O no hydrogen 2.761 N/A GLY 650.A N ARG 646.A O no hydrogen 2.825 N/A ILE 651.A N ALA 647.A O no hydrogen 2.945 N/A ALA 652.A N LEU 648.A O no hydrogen 2.890 N/A VAL 653.A N THR 649.A O no hydrogen 2.922 N/A GLU 654.A N GLY 650.A O no hydrogen 2.864 N/A GLN 655.A N ILE 651.A O no hydrogen 2.859 N/A GLN 655.A N ALA 652.A O no hydrogen 3.243 N/A ASP 656.A N ALA 652.A O no hydrogen 3.420 N/A LYS 657.A N VAL 653.A O no hydrogen 3.001 N/A ASN 658.A N GLU 654.A O no hydrogen 2.829 N/A ASN 658.A ND2 GLU 654.A OE1 no hydrogen 3.558 N/A THR 659.A N GLN 655.A O no hydrogen 2.967 N/A THR 659.A OG1 GLN 655.A O no hydrogen 3.384 N/A GLN 660.A N ASP 656.A O no hydrogen 2.980 N/A GLU 661.A N LYS 657.A O no hydrogen 2.856 N/A VAL 662.A N ASN 658.A O no hydrogen 2.861 N/A PHE 663.A N THR 659.A O no hydrogen 3.072 N/A ALA 664.A N GLN 660.A O no hydrogen 2.906 N/A GLN 665.A N PHE 663.A O no hydrogen 2.817 N/A GLN 665.A NE2 VAL 662.A O no hydrogen 2.686 N/A LYS 667.A NZ GLY 746.A O no hydrogen 3.035 N/A THR 672.A OG1 PRO 673.A O no hydrogen 3.437 N/A LYS 676.A NZ PRO 673.A O no hydrogen 3.317 N/A LYS 676.A NZ PRO 674.A O no hydrogen 2.747 N/A PHE 681.A N PHE 678.A O no hydrogen 3.158 N/A ASN 682.A N ASN 783.A OD1 no hydrogen 3.213 N/A GLN 685.A NE2 SER 684.A OG no hydrogen 2.781 N/A LEU 687.A N PHE 683.A O no hydrogen 2.774 N/A SER 691.A OG ASP 689.A OD2 no hydrogen 2.325 N/A ARG 696.A N SER 694.A O no hydrogen 2.500 N/A ARG 696.A NE ASP 701.A OD1 no hydrogen 2.732 N/A SER 697.A N GLU 700.A OE2 no hydrogen 3.182 N/A SER 697.A OG ILE 686.A O no hydrogen 3.321 N/A SER 697.A OG GLN 909.A OE1 no hydrogen 3.446 N/A ILE 699.A N GLN 685.A O no hydrogen 3.494 N/A ASP 701.A N SER 697.A O no hydrogen 2.951 N/A LEU 702.A N PHE 698.A O no hydrogen 2.851 N/A LEU 703.A N ILE 699.A O no hydrogen 3.070 N/A PHE 704.A N GLU 700.A O no hydrogen 2.865 N/A ASN 705.A N ASP 701.A O no hydrogen 2.847 N/A LYS 706.A N LEU 702.A O no hydrogen 2.893 N/A LYS 706.A NZ LEU 793.A O no hydrogen 2.385 N/A LYS 706.A NZ SER 794.A O no hydrogen 2.995 N/A VAL 707.A N LEU 703.A O no hydrogen 2.915 N/A THR 714.A N SER 616.A O no hydrogen 2.835 N/A THR 714.A OG1 SER 616.A O no hydrogen 2.858 N/A LEU 719.A N ASP 656.A OD1 no hydrogen 3.135 N/A MET 724.A N THR 721.A OG1 no hydrogen 3.316 N/A ILE 725.A N THR 721.A O no hydrogen 2.865 N/A ALA 726.A N ASP 722.A O no hydrogen 2.920 N/A GLN 727.A N GLU 723.A O no hydrogen 2.909 N/A GLN 727.A NE2 GLU 723.A OE2 no hydrogen 2.841 N/A TYR 728.A N MET 724.A O no hydrogen 2.942 N/A THR 729.A N ILE 725.A O no hydrogen 2.911 N/A THR 729.A OG1 ILE 725.A O no hydrogen 3.539 N/A THR 729.A OG1 ALA 726.A O no hydrogen 2.859 N/A SER 730.A N ALA 726.A O no hydrogen 2.875 N/A ALA 731.A N GLN 727.A O no hydrogen 2.847 N/A LEU 732.A N TYR 728.A O no hydrogen 2.835 N/A LEU 733.A N THR 729.A O no hydrogen 2.980 N/A ALA 734.A N SER 730.A O no hydrogen 2.913 N/A GLY 735.A N ALA 731.A O no hydrogen 2.860 N/A THR 736.A N LEU 732.A O no hydrogen 2.874 N/A THR 736.A OG1 LEU 732.A O no hydrogen 2.969 N/A ILE 737.A N LEU 733.A O no hydrogen 2.980 N/A THR 738.A N GLY 735.A O no hydrogen 3.397 N/A THR 738.A OG1 ALA 734.A O no hydrogen 2.322 N/A SER 739.A N GLY 735.A O no hydrogen 2.811 N/A SER 739.A OG GLY 735.A O no hydrogen 2.425 N/A GLY 740.A N THR 736.A O no hydrogen 3.018 N/A THR 742.A N SER 739.A O no hydrogen 3.284 N/A THR 742.A OG1 SER 739.A O no hydrogen 2.500 N/A THR 742.A OG1 LEU 749.A O no hydrogen 3.507 N/A ALA 745.A N TRP 741.A O no hydrogen 3.082 N/A GLY 746.A N THR 742.A O no hydrogen 2.830 N/A LEU 749.A N THR 742.A OG1 no hydrogen 3.024 N/A ILE 751.A N THR 738.A O no hydrogen 3.031 N/A GLN 756.A N PRO 752.A O no hydrogen 2.981 N/A GLN 756.A NE2 THR 736.A O no hydrogen 2.793 N/A MET 757.A N PHE 753.A O no hydrogen 2.757 N/A ALA 758.A N ALA 754.A O no hydrogen 2.912 N/A TYR 759.A N MET 755.A O no hydrogen 2.818 N/A ARG 760.A N GLN 756.A O no hydrogen 3.011 N/A ARG 760.A NH1 GLN 756.A OE1 no hydrogen 3.142 N/A PHE 761.A N MET 757.A O no hydrogen 2.894 N/A ASN 762.A N ALA 758.A O no hydrogen 2.967 N/A ASN 762.A ND2 ASN 762.A O no hydrogen 2.605 N/A GLY 763.A N TYR 759.A O no hydrogen 2.847 N/A ILE 764.A N ARG 760.A O no hydrogen 3.031 N/A VAL 766.A N PHE 761.A O no hydrogen 3.144 N/A LEU 771.A N GLN 768.A O no hydrogen 3.094 N/A GLU 773.A N ASN 769.A O no hydrogen 2.977 N/A ASN 774.A N VAL 770.A O no hydrogen 3.011 N/A ASN 774.A ND2 VAL 770.A O no hydrogen 3.487 N/A GLN 775.A NE2 GLY 679.A O no hydrogen 3.447 N/A ILE 778.A N ASN 774.A O no hydrogen 2.958 N/A ALA 779.A N GLN 775.A O no hydrogen 2.848 N/A ASN 780.A N LYS 776.A O no hydrogen 2.973 N/A GLN 781.A N LEU 777.A O no hydrogen 2.888 N/A GLN 781.A NE2 PHE 599.A O no hydrogen 3.378 N/A PHE 782.A N ILE 778.A O no hydrogen 2.832 N/A ASN 783.A N ALA 779.A O no hydrogen 2.929 N/A ASN 783.A ND2 GLY 680.A O no hydrogen 3.535 N/A SER 784.A N ASN 780.A O no hydrogen 2.844 N/A SER 784.A OG ASN 780.A O no hydrogen 2.657 N/A ALA 785.A N GLN 781.A O no hydrogen 2.927 N/A ILE 786.A N PHE 782.A O no hydrogen 2.903 N/A GLY 787.A N ASN 783.A O no hydrogen 2.851 N/A LYS 788.A N SER 784.A O no hydrogen 2.822 N/A ILE 789.A N ALA 785.A O no hydrogen 2.931 N/A GLN 790.A N ILE 786.A O no hydrogen 2.885 N/A ASP 791.A N GLY 787.A O no hydrogen 2.947 N/A SER 792.A N LYS 788.A O no hydrogen 2.829 N/A SER 792.A OG LYS 788.A O no hydrogen 3.117 N/A SER 792.A OG ILE 789.A O no hydrogen 2.848 N/A LEU 793.A N ILE 789.A O no hydrogen 2.966 N/A SER 794.A N GLN 790.A O no hydrogen 2.892 N/A SER 794.A OG GLN 790.A O no hydrogen 2.636 N/A SER 795.A N ASP 791.A O no hydrogen 2.895 N/A SER 795.A OG ASP 791.A O no hydrogen 2.853 N/A SER 795.A OG THR 796.A OG1 no hydrogen 3.362 N/A THR 796.A N SER 792.A O no hydrogen 2.959 N/A THR 796.A OG1 SER 795.A OG no hydrogen 3.362 N/A GLN 804.A N LEU 800.A O no hydrogen 3.010 N/A GLN 804.A NE2 ASN 808.A OD1 no hydrogen 3.315 N/A ASP 805.A N GLY 801.A O no hydrogen 2.759 N/A VAL 806.A N LYS 802.A O no hydrogen 2.925 N/A VAL 807.A N LEU 803.A O no hydrogen 2.932 N/A ASN 808.A N GLN 804.A O no hydrogen 2.851 N/A GLN 809.A N ASP 805.A O no hydrogen 2.838 N/A ASN 810.A N VAL 806.A O no hydrogen 2.961 N/A ALA 811.A N VAL 807.A O no hydrogen 2.902 N/A GLN 812.A N ASN 808.A O no hydrogen 2.807 N/A ALA 813.A N GLN 809.A O no hydrogen 2.882 N/A LEU 814.A N ASN 810.A O no hydrogen 2.960 N/A ASN 815.A N ALA 811.A O no hydrogen 2.863 N/A THR 816.A N GLN 812.A O no hydrogen 2.863 N/A THR 816.A OG1 GLN 812.A O no hydrogen 2.981 N/A LEU 817.A N ALA 813.A O no hydrogen 2.893 N/A VAL 818.A N LEU 814.A O no hydrogen 2.946 N/A LYS 819.A N ASN 815.A O no hydrogen 2.855 N/A GLN 820.A N THR 816.A O no hydrogen 2.853 N/A LEU 821.A N LEU 817.A O no hydrogen 3.010 N/A SER 822.A N VAL 818.A O no hydrogen 3.042 N/A SER 822.A OG SER 822.A O no hydrogen 2.536 N/A SER 823.A OG GLN 820.A O no hydrogen 2.610 N/A ASN 824.A ND2 ALA 827.A O no hydrogen 2.713 N/A ALA 827.A N ASN 824.A OD1 no hydrogen 2.364 N/A SER 829.A OG ASP 834.A OD2 no hydrogen 2.880 N/A ILE 835.A N VAL 831.A O no hydrogen 3.041 N/A LEU 836.A N LEU 832.A O no hydrogen 2.895 N/A SER 837.A N ASN 833.A O no hydrogen 2.902 N/A SER 837.A OG ASN 833.A O no hydrogen 3.203 N/A SER 837.A OG ASP 834.A O no hydrogen 2.731 N/A ARG 838.A N ASP 834.A O no hydrogen 2.910 N/A ARG 838.A NH1 ASP 834.A OD2 no hydrogen 3.478 N/A ARG 838.A NH2 ASP 834.A OD2 no hydrogen 3.262 N/A LEU 839.A N ILE 835.A O no hydrogen 3.002 N/A ALA 844.A N ASP 840.A O no hydrogen 2.977 N/A GLU 845.A N PRO 841.A O no hydrogen 2.834 N/A ILE 848.A N ALA 844.A O no hydrogen 2.851 N/A ASP 849.A N GLU 845.A O no hydrogen 2.807 N/A ARG 850.A N VAL 846.A O no hydrogen 2.929 N/A LEU 851.A N GLN 847.A O no hydrogen 2.955 N/A ILE 852.A N ILE 848.A O no hydrogen 2.802 N/A THR 853.A N ASP 849.A O no hydrogen 2.880 N/A THR 853.A OG1 ASP 849.A O no hydrogen 2.749 N/A GLY 854.A N ARG 850.A O no hydrogen 2.910 N/A ARG 855.A N LEU 851.A O no hydrogen 2.902 N/A ARG 855.A NH1 ILE 623.A O no hydrogen 2.899 N/A LEU 856.A N ILE 852.A O no hydrogen 2.777 N/A GLN 857.A N THR 853.A O no hydrogen 2.878 N/A SER 858.A N GLY 854.A O no hydrogen 2.903 N/A LEU 859.A N ARG 855.A O no hydrogen 2.771 N/A GLN 860.A N LEU 856.A O no hydrogen 2.791 N/A THR 861.A N GLN 857.A O no hydrogen 2.896 N/A THR 861.A OG1 GLN 857.A O no hydrogen 3.036 N/A TYR 862.A N SER 858.A O no hydrogen 2.896 N/A VAL 863.A N LEU 859.A O no hydrogen 2.804 N/A THR 864.A N GLN 860.A O no hydrogen 2.931 N/A THR 864.A OG1 GLN 860.A O no hydrogen 2.997 N/A GLN 865.A N THR 861.A O no hydrogen 2.909 N/A GLN 866.A N TYR 862.A O no hydrogen 2.846 N/A LEU 867.A N VAL 863.A O no hydrogen 2.713 N/A ILE 868.A N THR 864.A O no hydrogen 2.914 N/A ARG 869.A N GLN 865.A O no hydrogen 2.930 N/A ARG 869.A NE ASN 810.A OD1 no hydrogen 3.561 N/A ALA 870.A N GLN 866.A O no hydrogen 2.719 N/A ALA 871.A N LEU 867.A O no hydrogen 2.930 N/A GLU 872.A N ILE 868.A O no hydrogen 2.960 N/A ILE 873.A N ARG 869.A O no hydrogen 2.884 N/A ARG 874.A N ALA 870.A O no hydrogen 2.763 N/A ALA 875.A N ALA 871.A O no hydrogen 2.927 N/A SER 876.A N GLU 872.A O no hydrogen 2.937 N/A SER 876.A OG PRO 609.A O no hydrogen 3.337 N/A SER 876.A OG GLU 872.A O no hydrogen 3.557 N/A SER 876.A OG ILE 873.A O no hydrogen 2.531 N/A ALA 877.A N ILE 873.A O no hydrogen 2.637 N/A ASN 878.A N ARG 874.A O no hydrogen 2.800 N/A LEU 879.A N ALA 875.A O no hydrogen 2.923 N/A ALA 880.A N SER 876.A O no hydrogen 2.793 N/A ALA 881.A N ALA 877.A O no hydrogen 2.726 N/A THR 882.A N ASN 878.A O no hydrogen 2.853 N/A THR 882.A OG1 ASN 878.A O no hydrogen 3.414 N/A LYS 883.A N LEU 879.A O no hydrogen 2.837 N/A LYS 883.A NZ GLU 606.A OE2 no hydrogen 2.521 N/A MET 884.A N ALA 880.A O no hydrogen 2.670 N/A SER 885.A N ALA 881.A O no hydrogen 2.942 N/A SER 885.A OG ALA 881.A O no hydrogen 3.261 N/A SER 885.A OG THR 882.A O no hydrogen 3.006 N/A GLU 886.A N THR 882.A O no hydrogen 2.800 N/A CYS 887.A N LYS 883.A O no hydrogen 2.871 N/A CYS 887.A SG HIS 903.A NE2 no hydrogen 3.206 N/A CYS 887.A SG SER 906.A OG no hydrogen 3.121 N/A VAL 888.A N MET 884.A O no hydrogen 2.973 N/A LEU 889.A N MET 884.A O no hydrogen 3.031 N/A GLN 891.A NE2 HIS 903.A O no hydrogen 3.553 N/A ARG 894.A NH1 GLU 886.A OE2 no hydrogen 2.819 N/A TYR 902.A OH ASN 963.A OD1 no hydrogen 2.807 N/A LEU 904.A N VAL 920.A O no hydrogen 3.113 N/A MET 905.A N VAL 920.A O no hydrogen 3.506 N/A PHE 907.A N LEU 918.A O no hydrogen 2.969 N/A GLN 909.A N VAL 916.A O no hydrogen 2.935 N/A GLN 909.A NE2 ILE 686.A O no hydrogen 3.544 N/A GLN 909.A NE2 PRO 908.A O no hydrogen 2.561 N/A SER 910.A OG GLU 700.A OE1 no hydrogen 2.608 N/A GLY 914.A N ALA 911.A O no hydrogen 3.381 N/A VAL 915.A N LEU 608.A O no hydrogen 3.285 N/A VAL 916.A N GLN 909.A O no hydrogen 2.978 N/A PHE 917.A N GLU 606.A O no hydrogen 2.972 N/A LEU 918.A N PHE 907.A O no hydrogen 3.077 N/A HIS 919.A N THR 604.A O no hydrogen 2.780 N/A VAL 920.A N MET 905.A O no hydrogen 2.896 N/A THR 921.A N SER 602.A O no hydrogen 3.345 N/A THR 921.A OG1 SER 602.A O no hydrogen 2.828 N/A THR 921.A OG1 LYS 900.A O no hydrogen 3.248 N/A TYR 922.A N TYR 902.A O no hydrogen 2.734 N/A TYR 922.A OH ASN 963.A O no hydrogen 2.957 N/A VAL 923.A N THR 600.A O no hydrogen 3.083 N/A ALA 925.A N ASN 598.A O no hydrogen 2.820 N/A GLU 927.A N GLU 927.A OE1 no hydrogen 2.738 N/A PHE 930.A N ILE 593.A O no hydrogen 3.033 N/A THR 931.A N SER 952.A O no hydrogen 2.929 N/A THR 931.A OG1 SER 952.A O no hydrogen 3.106 N/A THR 932.A OG1 PHE 950.A O no hydrogen 2.744 N/A ILE 936.A N HIS 943.A O no hydrogen 2.980 N/A HIS 938.A N LYS 941.A O no hydrogen 3.381 N/A LYS 941.A NZ GLY 979.A O no hydrogen 3.237 N/A HIS 943.A N ILE 936.A O no hydrogen 2.546 N/A PHE 944.A N PHE 976.A O no hydrogen 3.047 N/A ARG 946.A N ASN 974.A O no hydrogen 2.984 N/A ARG 946.A NE ASP 973.A O no hydrogen 2.896 N/A ARG 946.A NH2 ASP 973.A O no hydrogen 2.431 N/A VAL 949.A N THR 960.A O no hydrogen 2.994 N/A VAL 951.A N PHE 958.A O no hydrogen 2.777 N/A SER 952.A N THR 931.A O no hydrogen 2.808 N/A SER 952.A OG HIS 956.A O no hydrogen 2.711 N/A GLY 954.A N SER 952.A OG no hydrogen 3.159 N/A THR 955.A OG1 HIS 956.A ND1 no hydrogen 3.131 N/A HIS 956.A N ASN 953.A OD1 no hydrogen 3.377 N/A HIS 956.A ND1 THR 955.A OG1 no hydrogen 3.131 N/A PHE 958.A N VAL 951.A O no hydrogen 2.713 N/A VAL 959.A N GLN 968.A O no hydrogen 2.719 N/A THR 960.A N VAL 949.A O no hydrogen 3.103 N/A ASN 963.A ND2 ILE 764.A O no hydrogen 3.615 N/A GLN 968.A N VAL 959.A O no hydrogen 2.780 N/A THR 972.A OG1 ASP 973.A OD1 no hydrogen 3.515 N/A THR 972.A OG1 ASP 994.A OD1 no hydrogen 3.062 N/A ASP 973.A N THR 971.A OG1 no hydrogen 3.100 N/A ASN 974.A N THR 971.A O no hydrogen 3.370 N/A ASN 974.A ND2 ILE 969.A O no hydrogen 3.395 N/A THR 975.A OG1 PHE 944.A O no hydrogen 2.473 N/A PHE 976.A N PHE 944.A O no hydrogen 3.045 N/A SER 978.A N ALA 942.A O no hydrogen 2.810 N/A CYS 981.A SG GLY 940.A O no hydrogen 3.322 N/A VAL 984.A N CYS 981.A O no hydrogen 3.282 N/A ASN 990.A N CYS 937.A O no hydrogen 3.403 N/A VAL 992.A N HIS 938.A ND1 no hydrogen 2.920 N/A LEU 996.A N ASP 994.A OD1 no hydrogen 3.265 N/A GLN 997.A N ASP 994.A O no hydrogen 3.132 N/A LEU 1000.A N LEU 996.A O no hydrogen 2.955 N/A ASP 1001.A N GLN 997.A O no hydrogen 2.806 N/A SER 1002.A N PRO 998.A O no hydrogen 2.904 N/A