Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7chh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 3.357 N/A THR 3.A OG1 VAL 36.A O no hydrogen 2.481 N/A SER 5.A N SER 34.A O no hydrogen 3.311 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.303 N/A TYR 12.A N LEU 159.A O no hydrogen 3.160 N/A SER 20.A N ASN 202.A O no hydrogen 3.123 N/A HIS 23.A N LEU 199.A O no hydrogen 2.744 N/A THR 25.A N PHE 197.A O no hydrogen 2.690 N/A LEU 28.A N ASP 27.A OD1 no hydrogen 2.630 N/A PHE 29.A N GLN 193.A O no hydrogen 2.802 N/A PHE 33.A N PHE 6.A O no hydrogen 3.434 N/A THR 37.A N VAL 189.A O no hydrogen 3.235 N/A PHE 39.A N TYR 187.A O no hydrogen 3.310 N/A PHE 48.A N THR 172.A O no hydrogen 2.719 N/A VAL 52.A N PHE 130.A O no hydrogen 2.863 N/A TYR 53.A N GLY 190.A O no hydrogen 2.864 N/A TYR 53.A OH GLU 127.A OE1 no hydrogen 2.386 N/A PHE 54.A N PHE 128.A O no hydrogen 2.820 N/A ALA 55.A N TYR 188.A O no hydrogen 2.880 N/A SER 56.A N ARG 126.A O no hydrogen 2.836 N/A THR 57.A N ALA 186.A O no hydrogen 3.437 N/A THR 57.A OG1 ASN 124.A O no hydrogen 2.740 N/A ARG 61.A N LEU 177.A O no hydrogen 3.287 N/A ARG 61.A NE ASN 58.A O no hydrogen 3.127 N/A TRP 63.A N ILE 78.A O no hydrogen 2.831 N/A ILE 64.A N GLN 175.A O no hydrogen 3.145 N/A PHE 65.A N LEU 76.A O no hydrogen 2.449 N/A GLY 66.A N ARG 173.A O no hydrogen 3.356 N/A THR 67.A OG1 ASN 170.A O no hydrogen 2.352 N/A SER 71.A N ASP 70.A OD1 no hydrogen 2.693 N/A SER 71.A OG ASP 70.A OD1 no hydrogen 3.526 N/A SER 71.A OG PHE 92.A O no hydrogen 3.343 N/A SER 71.A OG GLN 93.A OE1 no hydrogen 2.504 N/A THR 73.A OG1 GLN 74.A O no hydrogen 3.405 N/A LEU 76.A N PHE 65.A O no hydrogen 2.558 N/A LEU 77.A N LYS 88.A O no hydrogen 2.942 N/A ILE 78.A N TRP 63.A O no hydrogen 2.780 N/A VAL 79.A N VAL 86.A O no hydrogen 3.084 N/A ASN 80.A N ARG 61.A O no hydrogen 3.383 N/A ASN 81.A N ASN 84.A O no hydrogen 3.113 N/A ALA 82.A N ASN 80.A OD1 no hydrogen 2.805 N/A ASN 84.A N ASN 81.A OD1 no hydrogen 2.950 N/A ASN 84.A ND2 SER 118.A O no hydrogen 3.223 N/A VAL 85.A N SER 118.A O no hydrogen 3.426 N/A VAL 86.A N VAL 79.A O no hydrogen 2.917 N/A ILE 87.A N TYR 116.A O no hydrogen 2.886 N/A LYS 88.A N LEU 77.A O no hydrogen 3.483 N/A LYS 88.A NZ GLU 115.A OE1 no hydrogen 3.178 N/A VAL 89.A N PHE 114.A O no hydrogen 3.145 N/A CYS 90.A SG PHE 114.A O no hydrogen 3.857 N/A CYS 90.A SG GLU 115.A OE1 no hydrogen 3.238 N/A GLN 93.A N SER 107.A OG no hydrogen 2.659 N/A CYS 95.A SG GLN 93.A O no hydrogen 3.515 N/A CYS 95.A SG VAL 105.A O no hydrogen 3.701 N/A ARG 104.A NH1 ASP 97.A O no hydrogen 3.110 N/A SER 108.A OG SER 107.A O no hydrogen 2.786 N/A CYS 112.A SG ALA 109.A O no hydrogen 3.241 N/A CYS 112.A SG GLU 115.A OE1 no hydrogen 3.835 N/A TYR 116.A N ILE 87.A O no hydrogen 2.863 N/A GLN 119.A N SER 118.A OG no hydrogen 2.637 N/A LEU 125.A N THR 144.A O no hydrogen 2.859 N/A ARG 126.A N SER 56.A O no hydrogen 2.913 N/A GLU 127.A N LYS 142.A O no hydrogen 3.203 N/A PHE 128.A N PHE 54.A O no hydrogen 2.497 N/A VAL 129.A N TYR 140.A O no hydrogen 3.022 N/A PHE 130.A N VAL 52.A O no hydrogen 2.868 N/A LYS 131.A N LYS 138.A O no hydrogen 3.317 N/A LYS 131.A NZ TYR 11.A OH no hydrogen 2.819 N/A LYS 131.A NZ ASP 27.A OD1 no hydrogen 3.016 N/A TYR 136.A N ILE 133.A O no hydrogen 2.783 N/A LYS 138.A N LYS 131.A O no hydrogen 3.017 N/A TYR 140.A N VAL 129.A O no hydrogen 3.164 N/A SER 141.A N GLU 160.A O no hydrogen 3.190 N/A LYS 142.A N GLU 127.A O no hydrogen 3.388 N/A LYS 142.A NZ GLU 160.A OE1 no hydrogen 3.568 N/A LYS 142.A NZ GLU 160.A OE2 no hydrogen 3.174 N/A THR 144.A N LEU 125.A O no hydrogen 2.911 N/A ILE 146.A N LYS 123.A O no hydrogen 2.895 N/A GLU 160.A N SER 141.A O no hydrogen 3.475 N/A LEU 162.A N ILE 139.A O no hydrogen 3.202 N/A ILE 167.A N GLY 135.A O no hydrogen 2.981 N/A THR 172.A N GLY 66.A O no hydrogen 3.131 N/A ARG 173.A N GLY 66.A O no hydrogen 3.240 N/A PHE 174.A N LEU 46.A O no hydrogen 3.176 N/A GLN 175.A N ILE 64.A O no hydrogen 3.079 N/A TYR 187.A N PHE 39.A O no hydrogen 3.158 N/A TYR 188.A N ALA 55.A O no hydrogen 2.544 N/A VAL 189.A N THR 37.A O no hydrogen 3.291 N/A GLY 190.A N TYR 53.A O no hydrogen 2.515 N/A LEU 192.A N GLY 51.A O no hydrogen 3.255 N/A GLN 193.A N PHE 29.A O no hydrogen 2.912 N/A ARG 195.A N GLN 193.A O no hydrogen 2.914 N/A THR 196.A OG1 THR 25.A O no hydrogen 3.088 N/A PHE 197.A N THR 25.A O no hydrogen 2.750 N/A LEU 198.A N VAL 211.A O no hydrogen 3.494 N/A LEU 199.A N HIS 23.A O no hydrogen 2.472 N/A LYS 200.A N ASP 209.A O no hydrogen 3.416 N/A TYR 201.A N VAL 21.A O no hydrogen 2.950 N/A ASN 202.A N THR 206.A O no hydrogen 2.854 N/A GLY 205.A N ASN 202.A O no hydrogen 2.982 N/A THR 206.A OG1 TYR 12.A OH no hydrogen 2.869 N/A THR 206.A OG1 ILE 207.A O no hydrogen 3.547 N/A THR 208.A N LYS 200.A O no hydrogen 3.329 N/A THR 208.A OG1 LYS 200.A O no hydrogen 3.556 N/A VAL 211.A N LEU 198.A O no hydrogen 3.380 N/A LEU 215.A N ASP 212.A O no hydrogen 3.158 N/A SER 219.A N ASP 216.A O no hydrogen 3.144 N/A SER 219.A OG ASP 216.A OD1 no hydrogen 2.565 N/A THR 221.A N LEU 218.A O no hydrogen 3.059 N/A THR 221.A OG1 LEU 218.A O no hydrogen 2.406 N/A LYS 222.A N LEU 218.A O no hydrogen 3.279 N/A CYS 223.A N SER 219.A O no hydrogen 2.928 N/A CYS 223.A SG SER 219.A O no hydrogen 3.272 N/A THR 224.A N GLU 220.A O no hydrogen 2.930 N/A THR 224.A OG1 GLU 220.A O no hydrogen 3.055 N/A THR 224.A OG1 THR 221.A O no hydrogen 3.364 N/A THR 229.A N SER 227.A OG no hydrogen 3.114 N/A LYS 232.A NZ ASP 561.A OD2 no hydrogen 2.975 N/A GLY 233.A N THR 516.A O no hydrogen 2.956 N/A TYR 235.A N VAL 514.A O no hydrogen 3.404 N/A TYR 235.A OH GLU 231.A O no hydrogen 2.978 N/A THR 237.A N VAL 512.A O no hydrogen 3.378 N/A PHE 240.A N GLY 510.A O no hydrogen 2.870 N/A VAL 242.A N SER 508.A O no hydrogen 3.246 N/A THR 245.A N CYS 455.A O no hydrogen 3.324 N/A ARG 250.A N ASN 459.A O no hydrogen 3.197 N/A PHE 255.A N CYS 253.A O no hydrogen 2.795 N/A VAL 258.A N PHE 255.A O no hydrogen 3.093 N/A PHE 259.A N PHE 255.A O no hydrogen 2.907 N/A ARG 263.A NH1 PHE 264.A O no hydrogen 2.253 N/A ALA 269.A N SER 266.A O no hydrogen 3.162 N/A LYS 273.A N ALA 314.A O no hydrogen 3.032 N/A ILE 275.A N VAL 312.A O no hydrogen 2.787 N/A SER 276.A OG ILE 275.A O no hydrogen 2.867 N/A SER 276.A OG THR 310.A O no hydrogen 3.458 N/A SER 276.A OG ASN 311.A OD1 no hydrogen 3.044 N/A ASN 277.A N THR 440.A OG1 no hydrogen 3.349 N/A VAL 279.A N ASN 251.A O no hydrogen 2.499 N/A ALA 280.A N CYS 442.A O no hydrogen 3.052 N/A TYR 282.A N ASN 305.A OD1 no hydrogen 3.164 N/A SER 283.A N ASP 281.A OD1 no hydrogen 3.243 N/A SER 283.A OG ASP 281.A OD1 no hydrogen 2.470 N/A TYR 286.A N TYR 282.A O no hydrogen 2.916 N/A ASN 287.A N SER 283.A O no hydrogen 3.126 N/A SER 290.A N SER 288.A OG no hydrogen 3.309 N/A THR 293.A N ALA 352.A O no hydrogen 3.161 N/A SER 300.A OG THR 302.A OG1 no hydrogen 3.408 N/A THR 302.A OG1 SER 300.A OG no hydrogen 3.408 N/A LEU 307.A N LEU 304.A O no hydrogen 3.390 N/A CYS 308.A SG ASP 306.A O no hydrogen 3.833 N/A PHE 309.A N VAL 441.A O no hydrogen 3.319 N/A THR 310.A OG1 ALA 437.A O no hydrogen 2.987 N/A THR 310.A OG1 PRO 438.A O no hydrogen 3.081 N/A VAL 312.A N ILE 275.A O no hydrogen 3.164 N/A TYR 313.A N SER 431.A O no hydrogen 3.079 N/A ALA 314.A N LYS 273.A O no hydrogen 3.029 N/A ASP 315.A N VAL 429.A O no hydrogen 2.720 N/A PHE 317.A N VAL 427.A O no hydrogen 2.953 N/A ILE 319.A N TYR 425.A O no hydrogen 3.132 N/A ARG 320.A N GLU 323.A OE1 no hydrogen 2.852 N/A ARG 320.A NE ASP 322.A OD2 no hydrogen 3.179 N/A ARG 320.A NH2 ASP 322.A OD2 no hydrogen 3.101 N/A ASP 322.A N GLY 421.A O no hydrogen 3.285 N/A GLN 326.A N GLU 323.A O no hydrogen 3.063 N/A ILE 327.A N VAL 324.A O no hydrogen 3.330 N/A GLN 331.A NE2 PRO 329.A O no hydrogen 2.453 N/A GLY 333.A N ASP 337.A OD2 no hydrogen 3.163 N/A ALA 336.A N GLN 326.A OE1 no hydrogen 2.742 N/A ASP 337.A N GLY 333.A O no hydrogen 2.455 N/A TYR 338.A N LYS 334.A O no hydrogen 2.905 N/A ASN 339.A N ILE 335.A O no hydrogen 3.114 N/A ASN 339.A ND2 LYS 334.A O no hydrogen 3.412 N/A ASN 339.A ND2 ARG 371.A O no hydrogen 2.942 N/A TYR 340.A N ILE 335.A O no hydrogen 2.514 N/A TYR 340.A OH ASP 315.A OD2 no hydrogen 2.797 N/A LYS 341.A NZ GLN 331.A O no hydrogen 2.843 N/A ASP 345.A N ASP 345.A OD1 no hydrogen 2.530 N/A VAL 350.A N LYS 295.A O no hydrogen 3.386 N/A ILE 351.A N VAL 428.A O no hydrogen 2.945 N/A ALA 352.A N THR 293.A O no hydrogen 3.136 N/A TRP 353.A N ARG 426.A O no hydrogen 3.021 N/A SER 355.A N PRO 424.A O no hydrogen 3.143 N/A SER 355.A OG ASP 359.A OD2 no hydrogen 2.823 N/A LEU 358.A N SER 355.A O no hydrogen 3.150 N/A ASP 359.A N SER 355.A O no hydrogen 2.765 N/A SER 360.A OG ASN 356.A O no hydrogen 2.722 N/A SER 360.A OG ASN 356.A OD1 no hydrogen 3.334 N/A GLY 364.A N LYS 361.A O no hydrogen 3.088 N/A ASN 365.A N PHE 414.A O no hydrogen 2.664 N/A ASN 365.A ND2 ASP 359.A O no hydrogen 2.571 N/A LEU 369.A N SER 266.A OG no hydrogen 3.176 N/A TYR 370.A N GLN 410.A O no hydrogen 2.963 N/A ARG 371.A N ASN 339.A OD1 no hydrogen 2.661 N/A ARG 371.A NH1 SER 386.A O no hydrogen 3.194 N/A ARG 371.A NH2 ASP 384.A O no hydrogen 3.346 N/A LEU 372.A N PRO 408.A O no hydrogen 2.795 N/A ARG 374.A NE ASP 384.A OD2 no hydrogen 3.258 N/A ARG 374.A NH1 SER 376.A O no hydrogen 3.389 N/A LEU 378.A N ASP 337.A O no hydrogen 2.876 N/A GLU 388.A N SER 386.A OG no hydrogen 3.393 N/A TYR 390.A N TYR 406.A O no hydrogen 2.720 N/A GLN 391.A NE2 GLY 393.A O no hydrogen 3.116 N/A ALA 392.A N ASN 404.A O no hydrogen 2.995 N/A CYS 397.A SG TYR 390.A O no hydrogen 3.808 N/A VAL 400.A N CYS 397.A O no hydrogen 3.417 N/A GLY 402.A N CYS 405.A O no hydrogen 3.037 N/A CYS 405.A N GLY 402.A O no hydrogen 3.258 N/A CYS 405.A SG ASN 404.A O no hydrogen 3.373 N/A TYR 406.A N TYR 390.A O no hydrogen 3.010 N/A GLN 410.A N TYR 370.A O no hydrogen 2.881 N/A SER 411.A OG TYR 366.A O no hydrogen 3.374 N/A SER 411.A OG TYR 368.A O no hydrogen 3.545 N/A TYR 412.A N TYR 368.A O no hydrogen 2.896 N/A TYR 412.A OH GLU 323.A OE1 no hydrogen 2.939 N/A PHE 414.A N ASN 365.A O no hydrogen 2.948 N/A TYR 422.A N GLY 419.A O no hydrogen 3.057 N/A GLN 423.A N VAL 420.A O no hydrogen 3.217 N/A TYR 425.A N ILE 319.A O no hydrogen 2.942 N/A ARG 426.A N TRP 353.A O no hydrogen 2.642 N/A ARG 426.A NE ASP 359.A OD2 no hydrogen 3.375 N/A VAL 427.A N PHE 317.A O no hydrogen 2.806 N/A VAL 428.A N ILE 351.A O no hydrogen 2.858 N/A VAL 429.A N ASP 315.A O no hydrogen 2.653 N/A LEU 430.A N CYS 349.A O no hydrogen 2.452 N/A SER 431.A OG TYR 313.A O no hydrogen 3.569 N/A PHE 432.A N THR 347.A O no hydrogen 3.317 N/A THR 448.A N VAL 249.A O no hydrogen 2.935 N/A THR 448.A OG1 ASN 449.A OD1 no hydrogen 3.436 N/A ASN 453.A N LEU 469.A O no hydrogen 2.805 N/A VAL 456.A N GLY 467.A O no hydrogen 3.199 N/A ASN 459.A N ILE 248.A O no hydrogen 2.851 N/A PHE 460.A N LEU 463.A O no hydrogen 2.543 N/A LEU 463.A N PHE 460.A O no hydrogen 2.683 N/A THR 464.A OG1 ASN 459.A OD1 no hydrogen 3.019 N/A GLY 465.A N PHE 458.A O no hydrogen 3.191 N/A GLY 467.A N VAL 456.A O no hydrogen 3.431 N/A VAL 468.A N THR 505.A O no hydrogen 2.781 N/A THR 470.A N ASP 503.A O no hydrogen 3.273 N/A THR 470.A OG1 ASN 453.A OD1 no hydrogen 3.565 N/A LYS 474.A NZ ASP 491.A OD2 no hydrogen 2.935 N/A LYS 475.A NZ ASN 473.A O no hydrogen 3.507 N/A LEU 477.A N GLN 480.A OE1 no hydrogen 3.270 N/A GLN 480.A N LEU 477.A O no hydrogen 2.931 N/A GLN 481.A NE2 PHE 479.A O no hydrogen 3.271 N/A GLY 483.A N ALA 492.A O no hydrogen 2.695 N/A ILE 486.A N ASP 485.A OD1 no hydrogen 2.631 N/A ILE 486.A N THR 489.A OG1 no hydrogen 3.381 N/A THR 489.A N ILE 486.A O no hydrogen 3.434 N/A THR 489.A OG1 ASP 485.A OD1 no hydrogen 2.298 N/A THR 489.A OG1 ILE 486.A O no hydrogen 2.444 N/A THR 490.A OG1 ASP 488.A O no hydrogen 3.193 N/A ARG 494.A N GLN 481.A O no hydrogen 3.004 N/A ARG 494.A NH1 LEU 477.A O no hydrogen 2.748 N/A ARG 494.A NH1 GLN 480.A O no hydrogen 3.159 N/A ASP 495.A N GLU 500.A O no hydrogen 3.269 N/A THR 498.A N ASP 495.A O no hydrogen 3.483 N/A THR 498.A OG1 ASP 495.A OD1 no hydrogen 3.459 N/A LEU 499.A N ASP 495.A O no hydrogen 2.807 N/A LEU 502.A N VAL 493.A O no hydrogen 2.887 N/A ILE 504.A N ASP 491.A O no hydrogen 2.486 N/A THR 505.A N VAL 468.A O no hydrogen 3.370 N/A CYS 507.A SG VAL 242.A O no hydrogen 3.795 N/A GLY 510.A N PHE 240.A O no hydrogen 3.247 N/A VAL 512.A N SER 238.A O no hydrogen 2.736 N/A SER 513.A N LEU 528.A O no hydrogen 2.903 N/A SER 513.A OG LEU 528.A O no hydrogen 3.564 N/A VAL 514.A N TYR 235.A O no hydrogen 3.082 N/A ILE 515.A N ALA 526.A O no hydrogen 2.665 N/A THR 516.A N GLY 233.A O no hydrogen 3.007 N/A THR 519.A N VAL 230.A O no hydrogen 3.150 N/A SER 522.A N GLY 518.A O no hydrogen 3.320 N/A SER 522.A OG GLN 524.A OE1 no hydrogen 2.373 N/A GLN 524.A N SER 522.A OG no hydrogen 3.360 N/A ALA 526.A N ILE 515.A O no hydrogen 3.118 N/A VAL 527.A N ILE 549.A O no hydrogen 2.788 N/A LEU 528.A N SER 513.A O no hydrogen 2.579 N/A TYR 529.A N CYS 547.A O no hydrogen 3.082 N/A GLN 530.A N GLY 511.A O no hydrogen 3.209 N/A CYS 534.A N GLN 542.A OE1 no hydrogen 3.217 N/A CYS 534.A SG GLN 542.A OE1 no hydrogen 3.377 N/A THR 535.A N ASN 533.A O no hydrogen 2.644 N/A GLU 536.A N GLU 536.A OE1 no hydrogen 2.814 N/A ASN 539.A N SER 538.A OG no hydrogen 2.381 N/A PHE 541.A N LEU 548.A O no hydrogen 2.912 N/A GLN 542.A NE2 VAL 532.A O no hydrogen 2.702 N/A THR 543.A N GLY 546.A O no hydrogen 3.093 N/A THR 543.A OG1 GLY 546.A O no hydrogen 2.585 N/A ALA 545.A N THR 543.A OG1 no hydrogen 3.235 N/A CYS 547.A N TYR 529.A O no hydrogen 3.073 N/A CYS 547.A SG VAL 532.A O no hydrogen 3.430 N/A LEU 548.A N PHE 541.A O no hydrogen 2.562 N/A ILE 549.A N VAL 527.A O no hydrogen 2.739 N/A GLY 550.A N ASN 539.A O no hydrogen 3.122 N/A GLU 552.A N ILE 576.A O no hydrogen 2.841 N/A VAL 554.A N ALA 578.A O no hydrogen 3.401 N/A SER 557.A OG THR 580.A O no hydrogen 3.251 N/A TYR 558.A OH ASN 556.A OD1 no hydrogen 2.975 N/A GLY 565.A N ILE 568.A O no hydrogen 3.149 N/A ILE 568.A N GLY 565.A O no hydrogen 3.133 N/A CYS 569.A N TYR 579.A O no hydrogen 2.989 N/A ALA 570.A N ILE 562.A O no hydrogen 2.659 N/A ALA 572.A N SER 575.A O no hydrogen 3.042 N/A SER 573.A OG SER 573.A O no hydrogen 2.419 N/A SER 575.A OG GLU 552.A OE1 no hydrogen 3.286 N/A ALA 578.A N GLU 552.A O no hydrogen 2.837 N/A MET 581.A N GLY 567.A O no hydrogen 2.971 N/A SER 582.A N TYR 558.A O no hydrogen 2.664 N/A TYR 591.A N VAL 589.A O no hydrogen 2.903 N/A SER 592.A OG TYR 591.A O no hydrogen 3.189 N/A ILE 596.A N PHE 932.A O no hydrogen 2.781 N/A ILE 598.A N LYS 930.A O no hydrogen 3.373 N/A THR 600.A N GLN 928.A O no hydrogen 3.075 N/A THR 600.A OG1 GLN 928.A O no hydrogen 2.382 N/A ASN 601.A ND2 GLN 928.A OE1 no hydrogen 3.528 N/A PHE 602.A N ASN 601.A OD1 no hydrogen 2.578 N/A THR 603.A N VAL 925.A O no hydrogen 2.766 N/A SER 605.A N THR 923.A O no hydrogen 2.962 N/A SER 605.A OG THR 923.A OG1 no hydrogen 2.874 N/A THR 607.A N HIS 921.A O no hydrogen 3.054 N/A GLU 609.A N PHE 919.A O no hydrogen 3.139 N/A LEU 611.A N VAL 917.A O no hydrogen 2.929 N/A VAL 613.A N HIS 915.A O no hydrogen 3.255 N/A SER 614.A OG MET 615.A O no hydrogen 3.389 N/A MET 615.A N GLN 658.A OE1 no hydrogen 2.892 N/A LYS 617.A NZ ASP 659.A OD1 no hydrogen 3.282 N/A LYS 617.A NZ ASP 659.A OD2 no hydrogen 3.461 N/A LYS 617.A NZ PRO 719.A O no hydrogen 3.517 N/A SER 619.A N THR 716.A O no hydrogen 3.092 N/A TYR 625.A OH LEU 819.A O no hydrogen 2.922 N/A ILE 626.A N CYS 622.A O no hydrogen 2.884 N/A CYS 627.A N THR 623.A O no hydrogen 2.877 N/A CYS 633.A N SER 630.A OG no hydrogen 3.334 N/A SER 634.A N SER 630.A O no hydrogen 3.362 N/A ASN 635.A N THR 631.A O no hydrogen 2.894 N/A LEU 636.A N GLU 632.A O no hydrogen 2.996 N/A LEU 637.A N CYS 633.A O no hydrogen 2.867 N/A LEU 638.A N SER 634.A O no hydrogen 2.974 N/A GLN 639.A N LEU 636.A O no hydrogen 3.422 N/A TYR 640.A N LEU 637.A O no hydrogen 3.108 N/A TYR 640.A OH ASP 851.A OD1 no hydrogen 2.980 N/A TYR 640.A OH THR 855.A OG1 no hydrogen 2.700 N/A GLY 641.A N LEU 638.A O no hydrogen 3.303 N/A GLN 646.A N SER 642.A O no hydrogen 3.396 N/A LEU 647.A N PHE 643.A O no hydrogen 3.028 N/A ASN 648.A N CYS 644.A O no hydrogen 2.910 N/A ASN 648.A ND2 VAL 620.A O no hydrogen 2.806 N/A ARG 649.A N THR 645.A O no hydrogen 2.921 N/A ALA 650.A N GLN 646.A O no hydrogen 2.956 N/A LEU 651.A N LEU 647.A O no hydrogen 3.079 N/A THR 652.A N ASN 648.A O no hydrogen 2.912 N/A THR 652.A OG1 ASN 648.A O no hydrogen 2.618 N/A GLY 653.A N ARG 649.A O no hydrogen 2.920 N/A ILE 654.A N ALA 650.A O no hydrogen 3.076 N/A ALA 655.A N LEU 651.A O no hydrogen 2.954 N/A VAL 656.A N THR 652.A O no hydrogen 2.990 N/A GLU 657.A N GLY 653.A O no hydrogen 2.998 N/A GLN 658.A N ILE 654.A O no hydrogen 3.078 N/A GLN 658.A NE2 ILE 654.A O no hydrogen 2.825 N/A GLN 658.A NE2 GLU 657.A OE1 no hydrogen 3.411 N/A LYS 660.A N VAL 656.A O no hydrogen 3.084 N/A LYS 660.A NZ LYS 660.A O no hydrogen 2.573 N/A ASN 661.A N GLU 657.A O no hydrogen 2.915 N/A ASN 661.A ND2 VAL 613.A O no hydrogen 3.497 N/A THR 662.A N GLN 658.A O no hydrogen 3.060 N/A THR 662.A OG1 GLN 658.A O no hydrogen 3.116 N/A GLN 663.A N ASP 659.A O no hydrogen 2.976 N/A GLU 664.A N LYS 660.A O no hydrogen 2.989 N/A VAL 665.A N ASN 661.A O no hydrogen 3.006 N/A PHE 666.A N THR 662.A O no hydrogen 2.984 N/A ALA 667.A N GLN 663.A O no hydrogen 3.121 N/A GLN 668.A N PHE 666.A O no hydrogen 2.674 N/A GLN 668.A NE2 GLU 664.A O no hydrogen 3.456 N/A GLY 682.A N ASP 680.A O no hydrogen 2.606 N/A PHE 684.A N PHE 681.A O no hydrogen 2.944 N/A ASN 685.A N ASN 785.A OD1 no hydrogen 3.149 N/A SER 687.A N ASN 685.A OD1 no hydrogen 3.255 N/A SER 687.A OG ASN 685.A OD1 no hydrogen 3.214 N/A ILE 689.A N PHE 686.A O no hydrogen 3.053 N/A LEU 690.A N PHE 686.A O no hydrogen 2.886 N/A ASP 692.A N ARG 696.A O no hydrogen 2.779 N/A LYS 695.A NZ SER 694.A OG no hydrogen 2.786 N/A ARG 696.A NE ASP 701.A OD1 no hydrogen 2.763 N/A ARG 696.A NH1 ASP 701.A OD1 no hydrogen 2.773 N/A SER 697.A OG ILE 689.A O no hydrogen 2.356 N/A SER 697.A OG GLU 700.A OE2 no hydrogen 3.529 N/A ASP 701.A N SER 697.A O no hydrogen 3.127 N/A LEU 702.A N PRO 698.A O no hydrogen 2.996 N/A LEU 703.A N ILE 699.A O no hydrogen 2.943 N/A PHE 704.A N GLU 700.A O no hydrogen 2.904 N/A ASN 705.A N ASP 701.A O no hydrogen 2.957 N/A LYS 706.A N LEU 702.A O no hydrogen 2.945 N/A THR 716.A N SER 619.A O no hydrogen 3.176 N/A THR 716.A OG1 SER 619.A O no hydrogen 2.629 N/A LEU 718.A N LYS 617.A O no hydrogen 2.602 N/A MET 726.A N THR 723.A OG1 no hydrogen 3.358 N/A ILE 727.A N THR 723.A O no hydrogen 2.948 N/A ALA 728.A N ASP 724.A O no hydrogen 2.950 N/A GLN 729.A N GLU 725.A O no hydrogen 2.893 N/A TYR 730.A N MET 726.A O no hydrogen 3.001 N/A THR 731.A N ILE 727.A O no hydrogen 2.956 N/A THR 731.A OG1 ILE 727.A O no hydrogen 3.416 N/A THR 731.A OG1 ALA 728.A O no hydrogen 2.898 N/A SER 732.A N ALA 728.A O no hydrogen 2.877 N/A ALA 733.A N GLN 729.A O no hydrogen 2.937 N/A LEU 734.A N TYR 730.A O no hydrogen 2.900 N/A LEU 735.A N THR 731.A O no hydrogen 2.949 N/A ALA 736.A N SER 732.A O no hydrogen 2.893 N/A GLY 737.A N ALA 733.A O no hydrogen 2.948 N/A THR 738.A OG1 GLY 742.A O no hydrogen 3.434 N/A THR 740.A OG1 ALA 736.A O no hydrogen 2.718 N/A SER 741.A N GLY 737.A O no hydrogen 2.763 N/A SER 741.A OG LEU 751.A O no hydrogen 3.536 N/A GLY 742.A N GLY 737.A O no hydrogen 3.383 N/A THR 744.A OG1 PRO 749.A O no hydrogen 3.374 N/A GLY 746.A N TRP 743.A O no hydrogen 2.761 N/A GLY 748.A N THR 744.A O no hydrogen 3.203 N/A GLN 752.A N GLN 752.A OE1 no hydrogen 2.890 N/A ILE 753.A N THR 740.A O no hydrogen 3.339 N/A GLN 758.A N PRO 754.A O no hydrogen 3.014 N/A GLN 758.A NE2 THR 738.A O no hydrogen 3.482 N/A MET 759.A N PHE 755.A O no hydrogen 2.943 N/A ALA 760.A N PRO 756.A O no hydrogen 2.855 N/A TYR 761.A N MET 757.A O no hydrogen 3.029 N/A ARG 762.A N GLN 758.A O no hydrogen 2.926 N/A ARG 762.A NE GLN 758.A OE1 no hydrogen 3.142 N/A ARG 762.A NH1 LEU 906.A O no hydrogen 2.404 N/A ARG 762.A NH2 GLN 758.A OE1 no hydrogen 3.283 N/A PHE 763.A N MET 759.A O no hydrogen 2.913 N/A ASN 764.A N ALA 760.A O no hydrogen 2.942 N/A GLY 765.A N TYR 761.A O no hydrogen 2.895 N/A ILE 766.A N PHE 763.A O no hydrogen 3.170 N/A THR 769.A OG1 ASN 771.A OD1 no hydrogen 2.661 N/A ASN 771.A ND2 GLU 968.A OE1 no hydrogen 2.956 N/A VAL 772.A N THR 769.A O no hydrogen 3.348 N/A GLU 775.A N ASN 771.A O no hydrogen 2.944 N/A ASN 776.A N LEU 773.A O no hydrogen 2.880 N/A ILE 780.A N ASN 776.A O no hydrogen 3.069 N/A ALA 781.A N GLN 777.A O no hydrogen 2.922 N/A ASN 782.A N LYS 778.A O no hydrogen 2.902 N/A GLN 783.A N LEU 779.A O no hydrogen 2.927 N/A GLN 783.A NE2 PHE 602.A O no hydrogen 3.295 N/A PHE 784.A N ILE 780.A O no hydrogen 2.910 N/A ASN 785.A N ALA 781.A O no hydrogen 2.973 N/A ASN 785.A ND2 GLY 683.A O no hydrogen 3.686 N/A SER 786.A N ASN 782.A O no hydrogen 2.922 N/A SER 786.A OG ASN 782.A O no hydrogen 3.259 N/A SER 786.A OG GLN 783.A O no hydrogen 2.860 N/A ALA 787.A N GLN 783.A O no hydrogen 2.968 N/A ILE 788.A N PHE 784.A O no hydrogen 3.007 N/A GLY 789.A N ASN 785.A O no hydrogen 2.955 N/A LYS 790.A N SER 786.A O no hydrogen 2.936 N/A LYS 790.A NZ ASP 793.A OD2 no hydrogen 2.998 N/A ILE 791.A N ALA 787.A O no hydrogen 2.985 N/A GLN 792.A N ILE 788.A O no hydrogen 3.011 N/A GLN 792.A NE2 GLN 688.A O no hydrogen 3.325 N/A ASP 793.A N GLY 789.A O no hydrogen 2.921 N/A SER 794.A N LYS 790.A O no hydrogen 2.902 N/A LEU 795.A N ILE 791.A O no hydrogen 2.951 N/A SER 796.A N GLN 792.A O no hydrogen 2.894 N/A SER 797.A N ASP 793.A O no hydrogen 2.918 N/A SER 797.A OG ASP 793.A O no hydrogen 2.897 N/A THR 798.A N SER 794.A O no hydrogen 3.027 N/A SER 800.A OG PRO 799.A O no hydrogen 2.789 N/A LYS 804.A NZ ILE 610.A O no hydrogen 3.159 N/A LEU 805.A N LEU 802.A O no hydrogen 3.160 N/A GLN 806.A N GLY 803.A O no hydrogen 3.250 N/A GLN 806.A NE2 ASN 810.A OD1 no hydrogen 3.553 N/A ASP 807.A N GLY 803.A O no hydrogen 2.942 N/A ASN 810.A N GLN 806.A O no hydrogen 2.946 N/A GLN 811.A N ASP 807.A O no hydrogen 2.858 N/A ASN 812.A N VAL 808.A O no hydrogen 3.008 N/A ASN 812.A ND2 VAL 808.A O no hydrogen 2.905 N/A ALA 813.A N VAL 809.A O no hydrogen 2.920 N/A GLN 814.A N ASN 810.A O no hydrogen 2.874 N/A ALA 815.A N GLN 811.A O no hydrogen 2.981 N/A LEU 816.A N ASN 812.A O no hydrogen 2.989 N/A ASN 817.A N ALA 813.A O no hydrogen 2.879 N/A THR 818.A N GLN 814.A O no hydrogen 2.969 N/A LEU 819.A N ALA 815.A O no hydrogen 2.976 N/A VAL 820.A N LEU 816.A O no hydrogen 2.970 N/A LYS 821.A N ASN 817.A O no hydrogen 2.934 N/A GLN 822.A N THR 818.A O no hydrogen 2.974 N/A LEU 823.A N VAL 820.A O no hydrogen 2.945 N/A SER 824.A N LYS 821.A O no hydrogen 3.485 N/A SER 825.A OG GLN 822.A O no hydrogen 3.333 N/A ALA 829.A N ASN 826.A O no hydrogen 2.953 N/A LEU 838.A N LEU 834.A O no hydrogen 2.998 N/A SER 839.A N ASN 835.A O no hydrogen 2.834 N/A ARG 840.A N ASP 836.A O no hydrogen 2.902 N/A ASP 842.A N GLU 845.A OE2 no hydrogen 3.169 N/A GLU 845.A N GLU 845.A OE1 no hydrogen 2.614 N/A ALA 846.A N ASP 842.A O no hydrogen 3.011 N/A GLU 847.A N PRO 843.A O no hydrogen 2.892 N/A GLN 849.A N GLU 845.A O no hydrogen 3.077 N/A ILE 850.A N ALA 846.A O no hydrogen 2.817 N/A ASP 851.A N GLU 847.A O no hydrogen 2.965 N/A ARG 852.A N VAL 848.A O no hydrogen 3.027 N/A LEU 853.A N GLN 849.A O no hydrogen 3.054 N/A ILE 854.A N ILE 850.A O no hydrogen 2.877 N/A THR 855.A N ASP 851.A O no hydrogen 2.994 N/A THR 855.A OG1 TYR 640.A OH no hydrogen 2.700 N/A THR 855.A OG1 ASP 851.A O no hydrogen 3.220 N/A GLY 856.A N ARG 852.A O no hydrogen 3.083 N/A ARG 857.A N LEU 853.A O no hydrogen 2.963 N/A ARG 857.A NH1 ILE 626.A O no hydrogen 2.475 N/A LEU 858.A N ILE 854.A O no hydrogen 2.896 N/A GLN 859.A N THR 855.A O no hydrogen 3.053 N/A SER 860.A N GLY 856.A O no hydrogen 3.016 N/A LEU 861.A N ARG 857.A O no hydrogen 2.966 N/A GLN 862.A N LEU 858.A O no hydrogen 2.977 N/A THR 863.A N GLN 859.A O no hydrogen 3.032 N/A THR 863.A OG1 GLN 859.A O no hydrogen 2.904 N/A TYR 864.A N SER 860.A O no hydrogen 3.064 N/A VAL 865.A N LEU 861.A O no hydrogen 2.969 N/A THR 866.A N GLN 862.A O no hydrogen 3.005 N/A THR 866.A OG1 GLN 862.A O no hydrogen 3.017 N/A GLN 867.A N THR 863.A O no hydrogen 3.062 N/A GLN 868.A N TYR 864.A O no hydrogen 2.945 N/A GLN 868.A NE2 ASN 812.A OD1 no hydrogen 3.080 N/A LEU 869.A N VAL 865.A O no hydrogen 2.931 N/A ILE 870.A N THR 866.A O no hydrogen 3.107 N/A ARG 871.A N GLN 867.A O no hydrogen 2.978 N/A ALA 872.A N GLN 868.A O no hydrogen 2.840 N/A ALA 873.A N LEU 869.A O no hydrogen 3.007 N/A GLU 874.A N ILE 870.A O no hydrogen 3.065 N/A ILE 875.A N ARG 871.A O no hydrogen 2.933 N/A ARG 876.A N ALA 872.A O no hydrogen 2.876 N/A ALA 877.A N ALA 873.A O no hydrogen 2.999 N/A SER 878.A N GLU 874.A O no hydrogen 3.036 N/A SER 878.A OG PRO 612.A O no hydrogen 3.070 N/A ALA 879.A N ILE 875.A O no hydrogen 2.831 N/A ASN 880.A N ARG 876.A O no hydrogen 2.929 N/A LEU 881.A N ALA 877.A O no hydrogen 3.011 N/A ALA 882.A N SER 878.A O no hydrogen 2.918 N/A ALA 883.A N ALA 879.A O no hydrogen 2.887 N/A THR 884.A N ASN 880.A O no hydrogen 2.955 N/A THR 884.A OG1 ASN 880.A O no hydrogen 3.217 N/A LYS 885.A N LEU 881.A O no hydrogen 2.903 N/A LYS 885.A NZ GLU 609.A OE1 no hydrogen 3.310 N/A LYS 885.A NZ GLU 609.A OE2 no hydrogen 2.725 N/A LYS 885.A NZ PHE 899.A O no hydrogen 3.268 N/A MET 886.A N ALA 882.A O no hydrogen 2.857 N/A SER 887.A N ALA 883.A O no hydrogen 2.933 N/A SER 887.A OG ALA 883.A O no hydrogen 3.560 N/A SER 887.A OG THR 884.A O no hydrogen 3.293 N/A GLU 888.A N THR 884.A O no hydrogen 2.907 N/A CYS 889.A N LYS 885.A O no hydrogen 2.917 N/A VAL 890.A N MET 886.A O no hydrogen 3.325 N/A LEU 891.A N MET 886.A O no hydrogen 3.394 N/A GLN 893.A NE2 ARG 762.A O no hydrogen 3.118 N/A GLN 893.A NE2 HIS 905.A O no hydrogen 3.023 N/A SER 894.A N HIS 905.A ND1 no hydrogen 3.383 N/A ARG 896.A NH1 GLU 888.A OE1 no hydrogen 3.012 N/A TYR 904.A N TYR 924.A O no hydrogen 3.051 N/A HIS 905.A NE2 SER 908.A OG no hydrogen 2.755 N/A LEU 906.A N VAL 922.A O no hydrogen 2.972 N/A MET 907.A N VAL 922.A O no hydrogen 3.381 N/A SER 908.A OG HIS 905.A NE2 no hydrogen 2.755 N/A SER 908.A OG HIS 921.A ND1 no hydrogen 2.945 N/A PHE 909.A N LEU 920.A O no hydrogen 3.286 N/A GLN 911.A N VAL 918.A O no hydrogen 2.762 N/A SER 912.A OG GLU 700.A OE1 no hydrogen 2.574 N/A VAL 917.A N LEU 611.A O no hydrogen 2.955 N/A VAL 918.A N GLN 911.A O no hydrogen 3.043 N/A PHE 919.A N GLU 609.A O no hydrogen 3.140 N/A LEU 920.A N PHE 909.A O no hydrogen 2.960 N/A HIS 921.A N THR 607.A O no hydrogen 2.851 N/A HIS 921.A ND1 SER 908.A OG no hydrogen 2.945 N/A HIS 921.A NE2 GLU 609.A OE1 no hydrogen 2.396 N/A VAL 922.A N MET 907.A O no hydrogen 2.875 N/A THR 923.A N SER 605.A O no hydrogen 2.892 N/A THR 923.A OG1 SER 605.A OG no hydrogen 2.874 N/A THR 923.A OG1 LYS 902.A O no hydrogen 2.918 N/A TYR 924.A N TYR 904.A O no hydrogen 2.755 N/A VAL 925.A N THR 603.A O no hydrogen 3.323 N/A ALA 927.A N ASN 601.A O no hydrogen 2.891 N/A GLU 929.A N GLU 929.A OE2 no hydrogen 2.718 N/A PHE 932.A N ILE 596.A O no hydrogen 2.809 N/A THR 933.A N SER 954.A O no hydrogen 3.340 N/A THR 934.A N ASN 594.A O no hydrogen 3.154 N/A THR 934.A OG1 ALA 935.A O no hydrogen 3.534 N/A THR 934.A OG1 PHE 952.A O no hydrogen 2.713 N/A ILE 938.A N HIS 945.A O no hydrogen 3.158 N/A CYS 939.A N VAL 990.A O no hydrogen 2.943 N/A HIS 940.A N LYS 943.A O no hydrogen 3.175 N/A LYS 943.A N HIS 940.A O no hydrogen 3.394 N/A ALA 944.A N GLY 981.A O no hydrogen 3.086 N/A HIS 945.A N ILE 938.A O no hydrogen 2.774 N/A HIS 945.A ND1 LYS 943.A O no hydrogen 2.956 N/A PHE 946.A N PHE 978.A O no hydrogen 2.930 N/A ARG 948.A N ASN 976.A O no hydrogen 3.207 N/A ARG 948.A NH1 ASP 975.A O no hydrogen 3.172 N/A VAL 951.A N THR 962.A O no hydrogen 3.005 N/A VAL 953.A N PHE 960.A O no hydrogen 2.877 N/A SER 954.A OG THR 933.A O no hydrogen 3.062 N/A PHE 960.A N VAL 953.A O no hydrogen 2.957 N/A VAL 961.A N GLN 970.A O no hydrogen 3.320 N/A THR 962.A N VAL 951.A O no hydrogen 3.174 N/A THR 962.A OG1 GLN 963.A O no hydrogen 3.477 N/A GLN 963.A N GLN 963.A OE1 no hydrogen 3.069 N/A PHE 966.A N GLN 963.A O no hydrogen 3.502 N/A TYR 967.A N PRO 599.A O no hydrogen 3.040 N/A GLN 970.A N VAL 961.A O no hydrogen 3.155 N/A THR 973.A N ASN 976.A OD1 no hydrogen 2.991 N/A THR 973.A OG1 ASN 976.A OD1 no hydrogen 2.453 N/A ASP 975.A N THR 973.A OG1 no hydrogen 3.087 N/A ASN 976.A N THR 973.A OG1 no hydrogen 3.236 N/A ASN 976.A ND2 ILE 971.A O no hydrogen 3.577 N/A THR 977.A OG1 THR 973.A O no hydrogen 2.460 N/A PHE 978.A N PHE 946.A O no hydrogen 2.740 N/A SER 980.A N ALA 944.A O no hydrogen 3.406 N/A VAL 990.A N ALA 937.A O no hydrogen 3.325 N/A THR 993.A N ASN 992.A OD1 no hydrogen 2.670 N/A TYR 995.A N ILE 972.A O no hydrogen 2.759 N/A ASP 996.A N ASP 996.A OD1 no hydrogen 2.434 N/A GLU 1001.A N PRO 997.A O no hydrogen 2.985 N/A LEU 1002.A N LEU 998.A O no hydrogen 2.890 N/A ASP 1003.A N GLN 999.A O no hydrogen 3.179 N/A