Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6x29_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 3.084 N/A THR 3.A OG1 ASP 145.A OD1 no hydrogen 2.528 N/A ASN 4.A N THR 3.A OG1 no hydrogen 2.621 N/A SER 5.A N ASN 4.A OD1 no hydrogen 2.746 N/A SER 5.A OG SER 34.A O no hydrogen 2.979 N/A SER 5.A OG SER 34.A OG no hydrogen 3.160 N/A THR 7.A OG1 GLY 149.A O no hydrogen 2.294 N/A ARG 8.A NH2 PRO 147.A O no hydrogen 3.429 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.409 N/A TYR 12.A N LEU 153.A O no hydrogen 2.856 N/A ARG 18.A NH1 ASP 14.A OD2 no hydrogen 3.265 N/A SER 20.A N ASN 193.A O no hydrogen 2.747 N/A SER 24.A OG PHE 188.A O no hydrogen 3.310 N/A THR 25.A N PHE 188.A O no hydrogen 3.317 N/A LEU 28.A N ASP 27.A OD1 no hydrogen 2.767 N/A PHE 29.A N GLN 184.A O no hydrogen 2.761 N/A PHE 32.A N ASP 203.A OD2 no hydrogen 3.400 N/A PHE 33.A N SER 5.A O no hydrogen 3.134 N/A SER 34.A OG SER 5.A OG no hydrogen 3.160 N/A SER 34.A OG PRO 31.A O no hydrogen 3.238 N/A TRP 38.A N ALA 1.A O no hydrogen 2.633 N/A HIS 40.A N ASP 44.A OD2 no hydrogen 2.561 N/A ASN 45.A ND2 THR 170.A O no hydrogen 3.309 N/A GLY 53.A N PHE 50.A O no hydrogen 2.853 N/A VAL 54.A N PHE 124.A O no hydrogen 3.012 N/A PHE 56.A N PHE 122.A O no hydrogen 2.583 N/A GLU 60.A N ASN 118.A O no hydrogen 2.708 N/A ILE 64.A N GLU 60.A OE1 no hydrogen 3.100 N/A ARG 66.A NE ASN 63.A O no hydrogen 2.816 N/A ILE 69.A N GLN 169.A O no hydrogen 2.684 N/A PHE 70.A N LEU 81.A O no hydrogen 3.280 N/A THR 73.A OG1 ASP 75.A OD1 no hydrogen 3.467 N/A SER 76.A OG SER 76.A O no hydrogen 2.511 N/A SER 76.A OG GLU 96.A O no hydrogen 2.835 N/A THR 78.A OG1 GLN 79.A OE1 no hydrogen 3.562 N/A SER 80.A OG PHE 70.A O no hydrogen 2.954 N/A SER 80.A OG LEU 81.A O no hydrogen 3.543 N/A LEU 82.A N LYS 93.A O no hydrogen 2.901 N/A VAL 84.A N VAL 91.A O no hydrogen 2.590 N/A ASN 85.A N ARG 66.A O no hydrogen 3.334 N/A THR 88.A OG1 ASN 86.A O no hydrogen 3.486 N/A THR 88.A OG1 ASN 89.A OD1 no hydrogen 3.269 N/A ASN 89.A ND2 SER 115.A O no hydrogen 2.581 N/A VAL 91.A N VAL 84.A O no hydrogen 2.704 N/A ILE 92.A N TYR 113.A O no hydrogen 2.762 N/A LEU 105.A N LEU 172.A O no hydrogen 2.960 N/A VAL 107.A N LEU 174.A O no hydrogen 2.764 N/A TYR 113.A N ILE 92.A O no hydrogen 2.827 N/A SER 115.A N VAL 90.A O no hydrogen 2.994 N/A LYS 117.A N GLU 60.A O no hydrogen 2.981 N/A LYS 117.A NZ ASN 141.A OD1 no hydrogen 3.085 N/A ASN 118.A N GLU 60.A O no hydrogen 3.073 N/A LEU 119.A N THR 138.A O no hydrogen 3.434 N/A ARG 120.A N SER 58.A O no hydrogen 3.274 N/A ARG 120.A NE SER 58.A OG no hydrogen 3.363 N/A ARG 120.A NH1 ASN 63.A OD1 no hydrogen 3.475 N/A ARG 120.A NH2 ILE 65.A O no hydrogen 2.810 N/A GLU 121.A N LYS 136.A O no hydrogen 2.939 N/A PHE 122.A N PHE 56.A O no hydrogen 2.656 N/A VAL 123.A N TYR 134.A O no hydrogen 2.760 N/A PHE 124.A N VAL 54.A O no hydrogen 2.997 N/A LYS 125.A NZ TYR 11.A OH no hydrogen 2.675 N/A LYS 125.A NZ ASP 27.A OD2 no hydrogen 3.333 N/A ILE 127.A N TYR 130.A O no hydrogen 3.155 N/A TYR 130.A N ILE 127.A O no hydrogen 2.993 N/A PHE 131.A N LEU 159.A O no hydrogen 2.440 N/A LYS 132.A N LYS 125.A O no hydrogen 3.057 N/A ILE 133.A N VAL 157.A O no hydrogen 2.916 N/A TYR 134.A N VAL 123.A O no hydrogen 3.128 N/A SER 135.A N GLU 154.A O no hydrogen 2.747 N/A LYS 136.A N GLU 121.A O no hydrogen 2.976 N/A ILE 140.A N LYS 117.A O no hydrogen 2.801 N/A LEU 146.A N ASP 145.A OD1 no hydrogen 2.773 N/A GLU 154.A N SER 135.A O no hydrogen 3.190 N/A LEU 156.A N ILE 133.A O no hydrogen 3.096 N/A LEU 159.A N PHE 131.A O no hydrogen 2.480 N/A GLY 162.A N GLY 129.A O no hydrogen 3.233 N/A THR 166.A N GLY 71.A O no hydrogen 3.083 N/A ARG 167.A N GLY 71.A O no hydrogen 3.205 N/A PHE 168.A N LEU 48.A O no hydrogen 3.148 N/A GLN 169.A N ILE 69.A O no hydrogen 2.881 N/A THR 170.A OG1 GLY 67.A O no hydrogen 2.706 N/A THR 170.A OG1 LEU 171.A O no hydrogen 3.421 N/A LEU 171.A N GLY 67.A O no hydrogen 2.648 N/A LEU 171.A N THR 170.A OG1 no hydrogen 2.583 N/A LEU 174.A N LEU 105.A O no hydrogen 2.856 N/A TYR 178.A OH ASP 44.A O no hydrogen 2.841 N/A TYR 179.A N ALA 57.A O no hydrogen 3.303 N/A GLY 181.A N TYR 55.A O no hydrogen 3.359 N/A LEU 183.A N GLY 53.A O no hydrogen 3.203 N/A GLN 184.A N PHE 29.A O no hydrogen 2.639 N/A ARG 186.A N GLN 184.A O no hydrogen 2.729 N/A ARG 186.A NH1 ASP 203.A OD2 no hydrogen 3.177 N/A PHE 188.A N THR 25.A O no hydrogen 3.100 N/A LEU 190.A N HIS 23.A O no hydrogen 2.882 N/A LYS 191.A N ASP 200.A O no hydrogen 2.849 N/A TYR 192.A N VAL 21.A O no hydrogen 3.272 N/A ASN 193.A N THR 197.A O no hydrogen 2.959 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.846 N/A GLY 196.A N ASN 193.A O no hydrogen 3.300 N/A THR 197.A N ASN 193.A OD1 no hydrogen 2.428 N/A THR 199.A N LYS 191.A O no hydrogen 2.997 N/A CYS 204.A N THR 187.A O no hydrogen 2.911 N/A CYS 204.A SG THR 187.A O no hydrogen 3.285 N/A CYS 204.A SG VAL 202.A O no hydrogen 3.867 N/A LEU 206.A N ASP 203.A O no hydrogen 3.369 N/A SER 210.A N ASP 207.A O no hydrogen 2.647 N/A SER 210.A OG ASP 207.A OD1 no hydrogen 2.647 N/A GLU 211.A N ASP 207.A O no hydrogen 3.355 N/A THR 212.A OG1 PRO 208.A O no hydrogen 2.977 N/A LYS 213.A N LEU 209.A O no hydrogen 3.140 N/A CYS 214.A N SER 210.A O no hydrogen 3.055 N/A CYS 214.A SG VAL 202.A O no hydrogen 3.947 N/A CYS 214.A SG SER 210.A O no hydrogen 3.273 N/A THR 215.A N GLU 211.A O no hydrogen 2.939 N/A THR 215.A OG1 GLU 211.A O no hydrogen 2.855 N/A LEU 216.A N THR 212.A O no hydrogen 3.225 N/A LYS 217.A N CYS 214.A O no hydrogen 3.362 N/A LYS 217.A NZ CYS 214.A O no hydrogen 3.052 N/A SER 218.A N LYS 213.A O no hydrogen 3.247 N/A SER 218.A OG THR 220.A O no hydrogen 3.523 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.914 N/A LYS 223.A NZ ASP 526.A OD1 no hydrogen 2.223 N/A GLY 224.A N THR 482.A O no hydrogen 3.055 N/A TYR 226.A N VAL 480.A O no hydrogen 3.350 N/A THR 228.A N VAL 478.A O no hydrogen 3.092 N/A THR 228.A OG1 VAL 478.A O no hydrogen 3.360 N/A ASN 230.A N SER 229.A OG no hydrogen 2.515 N/A PHE 231.A N GLY 476.A O no hydrogen 2.762 N/A VAL 233.A N SER 474.A O no hydrogen 3.179 N/A THR 236.A N CYS 421.A O no hydrogen 2.731 N/A THR 236.A OG1 CYS 421.A O no hydrogen 3.491 N/A ILE 239.A N ASN 423.A O no hydrogen 3.226 N/A VAL 240.A N THR 414.A OG1 no hydrogen 3.209 N/A ARG 241.A N ASN 425.A O no hydrogen 2.997 N/A ILE 245.A N PRO 243.A O no hydrogen 2.844 N/A CYS 249.A N VAL 275.A O no hydrogen 3.104 N/A PHE 251.A N CYS 249.A O no hydrogen 2.818 N/A VAL 254.A N PHE 251.A O no hydrogen 2.946 N/A PHE 255.A N PHE 251.A O no hydrogen 2.832 N/A ASN 256.A N GLY 252.A O no hydrogen 3.208 N/A SER 262.A OG ASN 361.A O no hydrogen 3.386 N/A ALA 265.A N SER 262.A O no hydrogen 3.317 N/A ASN 267.A N SER 312.A O no hydrogen 3.394 N/A LYS 269.A N ALA 310.A O no hydrogen 3.342 N/A LYS 269.A NZ GLU 253.A OE1 no hydrogen 2.869 N/A ARG 270.A NH2 ASN 307.A OD1 no hydrogen 3.565 N/A ILE 271.A N VAL 308.A O no hydrogen 3.061 N/A CYS 274.A SG SER 272.A O no hydrogen 3.778 N/A VAL 275.A N ASN 247.A O no hydrogen 2.607 N/A SER 279.A N ASP 277.A OD1 no hydrogen 3.270 N/A ASN 283.A N SER 279.A O no hydrogen 3.035 N/A SER 284.A OG SER 286.A OG no hydrogen 3.052 N/A SER 286.A OG SER 284.A OG no hydrogen 3.052 N/A SER 288.A N ALA 348.A O no hydrogen 2.747 N/A THR 289.A N ALA 348.A O no hydrogen 3.161 N/A LYS 291.A N VAL 346.A O no hydrogen 2.877 N/A LYS 291.A NZ CYS 292.A O no hydrogen 3.495 N/A TYR 293.A N GLY 344.A O no hydrogen 3.113 N/A TYR 293.A OH ILE 323.A O no hydrogen 3.074 N/A LYS 299.A N CYS 296.A O no hydrogen 3.501 N/A LEU 300.A N PRO 297.A O no hydrogen 3.434 N/A LEU 303.A N LYS 299.A O no hydrogen 3.079 N/A CYS 304.A SG ASN 427.A O no hydrogen 3.241 N/A PHE 305.A N VAL 407.A O no hydrogen 2.880 N/A THR 306.A OG1 GLU 399.A O no hydrogen 2.894 N/A ASN 307.A ND2 GLU 399.A OE1 no hydrogen 3.186 N/A VAL 308.A N ILE 271.A O no hydrogen 3.456 N/A TYR 309.A N SER 397.A O no hydrogen 2.818 N/A ALA 310.A N LYS 269.A O no hydrogen 3.359 N/A ASP 311.A N VAL 395.A O no hydrogen 2.757 N/A SER 312.A N ASN 267.A O no hydrogen 3.441 N/A PHE 313.A N VAL 393.A O no hydrogen 3.240 N/A ILE 315.A N TYR 391.A O no hydrogen 3.189 N/A ASP 318.A N GLY 387.A O no hydrogen 3.139 N/A GLU 319.A N ARG 316.A O no hydrogen 3.314 N/A ILE 323.A N VAL 320.A O no hydrogen 2.938 N/A ALA 324.A N GLN 322.A O no hydrogen 3.110 N/A GLN 327.A N ALA 324.A O no hydrogen 3.285 N/A ILE 331.A N GLN 322.A OE1 no hydrogen 3.114 N/A ASP 333.A N GLY 329.A O no hydrogen 2.441 N/A TYR 336.A N ILE 331.A O no hydrogen 3.165 N/A TYR 336.A OH ASP 311.A OD2 no hydrogen 2.767 N/A CYS 345.A N LEU 396.A O no hydrogen 3.023 N/A VAL 346.A N LYS 291.A O no hydrogen 2.553 N/A ILE 347.A N VAL 394.A O no hydrogen 2.846 N/A ALA 348.A N THR 289.A O no hydrogen 3.011 N/A TRP 349.A N ARG 392.A O no hydrogen 2.783 N/A SER 351.A N PRO 390.A O no hydrogen 2.718 N/A SER 351.A OG ASP 355.A OD2 no hydrogen 2.780 N/A SER 351.A OG PRO 390.A O no hydrogen 2.477 N/A ASP 355.A N SER 351.A O no hydrogen 3.013 N/A SER 356.A OG ASN 352.A O no hydrogen 3.515 N/A SER 356.A OG ASN 352.A OD1 no hydrogen 2.875 N/A LYS 357.A N PHE 381.A O no hydrogen 3.425 N/A ASN 359.A N PHE 381.A O no hydrogen 2.561 N/A ASN 359.A ND2 ASP 355.A O no hydrogen 2.522 N/A ASN 361.A ND2 ASN 359.A OD1 no hydrogen 3.686 N/A TYR 364.A N GLN 377.A O no hydrogen 2.654 N/A ARG 365.A NH1 ASP 371.A OD1 no hydrogen 2.957 N/A PHE 368.A N LYS 337.A O no hydrogen 3.183 N/A ARG 370.A NH2 ALA 265.A O no hydrogen 3.520 N/A GLN 377.A N TYR 364.A O no hydrogen 2.884 N/A TYR 379.A N TYR 362.A O no hydrogen 2.807 N/A TYR 379.A OH GLU 319.A OE1 no hydrogen 2.574 N/A TYR 379.A OH GLU 319.A OE2 no hydrogen 3.361 N/A PHE 381.A N ASN 359.A O no hydrogen 2.926 N/A ASN 385.A N GLN 382.A O no hydrogen 3.200 N/A ASN 385.A ND2 GLN 382.A O no hydrogen 3.609 N/A GLN 389.A N VAL 386.A O no hydrogen 3.121 N/A TYR 391.A N ILE 315.A O no hydrogen 2.961 N/A ARG 392.A NE ASP 355.A OD2 no hydrogen 3.462 N/A VAL 393.A N PHE 313.A O no hydrogen 3.154 N/A VAL 394.A N ILE 347.A O no hydrogen 2.625 N/A VAL 395.A N ASP 311.A O no hydrogen 2.940 N/A LEU 396.A N CYS 345.A O no hydrogen 2.815 N/A SER 397.A N TYR 309.A O no hydrogen 2.620 N/A PHE 398.A N THR 343.A O no hydrogen 2.801 N/A GLU 399.A N ASN 307.A O no hydrogen 3.114 N/A THR 406.A OG1 THR 306.A O no hydrogen 2.266 N/A CYS 408.A N CYS 274.A O no hydrogen 3.398 N/A CYS 408.A SG VAL 407.A O no hydrogen 3.293 N/A LYS 411.A N GLY 409.A O no hydrogen 2.729 N/A LYS 411.A NZ ASP 302.A OD1 no hydrogen 2.443 N/A THR 414.A N VAL 240.A O no hydrogen 2.757 N/A THR 414.A OG1 VAL 240.A O no hydrogen 3.256 N/A THR 414.A OG1 ASN 415.A O no hydrogen 3.279 N/A LEU 416.A N ASN 415.A OD1 no hydrogen 2.643 N/A LYS 418.A NZ GLU 437.A OE2 no hydrogen 3.085 N/A LYS 418.A NZ GLU 466.A OE1 no hydrogen 3.514 N/A LYS 418.A NZ GLU 466.A OE2 no hydrogen 3.036 N/A ASN 419.A N LEU 435.A O no hydrogen 2.939 N/A CYS 421.A SG VAL 233.A O no hydrogen 3.751 N/A CYS 421.A SG GLN 234.A O no hydrogen 3.741 N/A VAL 422.A N GLY 433.A O no hydrogen 3.092 N/A ASN 423.A N GLU 237.A O no hydrogen 2.728 N/A ASN 425.A N ILE 239.A O no hydrogen 2.940 N/A ASN 425.A ND2 ASP 302.A OD1 no hydrogen 2.960 N/A PHE 426.A N LEU 429.A O no hydrogen 3.243 N/A ASN 427.A N ARG 241.A O no hydrogen 3.388 N/A LEU 429.A N PHE 426.A O no hydrogen 2.784 N/A THR 432.A OG1 ASN 423.A OD1 no hydrogen 3.547 N/A GLY 433.A N VAL 422.A O no hydrogen 3.169 N/A VAL 434.A N THR 471.A O no hydrogen 2.459 N/A THR 436.A N ASP 469.A O no hydrogen 3.361 N/A THR 436.A OG1 GLU 437.A O no hydrogen 3.476 N/A SER 438.A OG ILE 467.A O no hydrogen 2.819 N/A LEU 443.A N GLN 446.A OE1 no hydrogen 3.136 N/A GLN 446.A N LEU 443.A O no hydrogen 2.773 N/A GLN 447.A NE2 ARG 460.A O no hydrogen 3.060 N/A GLY 449.A N ALA 458.A O no hydrogen 2.435 N/A ARG 450.A NH1 ASP 454.A O no hydrogen 2.777 N/A ASP 451.A N THR 455.A O no hydrogen 2.907 N/A ILE 452.A N ASP 451.A OD1 no hydrogen 2.827 N/A ASP 457.A N GLY 449.A O no hydrogen 2.495 N/A ALA 458.A N GLY 449.A O no hydrogen 2.872 N/A VAL 459.A N LEU 468.A O no hydrogen 2.992 N/A ARG 460.A NH2 GLN 447.A OE1 no hydrogen 3.056 N/A ASP 461.A N GLU 466.A O no hydrogen 3.022 N/A GLN 463.A NE2 PHE 242.A O no hydrogen 2.392 N/A GLN 463.A NE2 SER 413.A OG no hydrogen 2.971 N/A GLU 466.A N THR 464.A O no hydrogen 2.617 N/A LEU 468.A N VAL 459.A O no hydrogen 2.861 N/A ASP 469.A N THR 436.A O no hydrogen 3.174 N/A ILE 470.A N ASP 457.A O no hydrogen 2.757 N/A THR 471.A N VAL 434.A O no hydrogen 3.311 N/A GLY 476.A N PHE 231.A O no hydrogen 3.149 N/A VAL 478.A N SER 229.A O no hydrogen 3.261 N/A SER 479.A N LEU 494.A O no hydrogen 2.822 N/A VAL 480.A N TYR 226.A O no hydrogen 2.710 N/A ILE 481.A N ALA 492.A O no hydrogen 2.839 N/A THR 482.A N GLY 224.A O no hydrogen 3.447 N/A THR 482.A OG1 PRO 483.A O no hydrogen 2.406 N/A THR 485.A N VAL 221.A O no hydrogen 3.013 N/A THR 485.A OG1 VAL 221.A O no hydrogen 3.541 N/A ASN 486.A ND2 ASN 486.A O no hydrogen 2.889 N/A THR 487.A N GLY 484.A O no hydrogen 2.898 N/A SER 488.A N GLY 484.A O no hydrogen 2.949 N/A GLN 490.A N SER 488.A OG no hydrogen 3.180 N/A ALA 492.A N ILE 481.A O no hydrogen 2.951 N/A VAL 493.A N ILE 514.A O no hydrogen 2.686 N/A LEU 494.A N SER 479.A O no hydrogen 2.655 N/A TYR 495.A N CYS 512.A O no hydrogen 3.058 N/A GLN 496.A N GLY 477.A O no hydrogen 2.647 N/A ASP 497.A N ALA 510.A O no hydrogen 2.742 N/A CYS 500.A N ASN 499.A OD1 no hydrogen 2.805 N/A CYS 500.A SG PHE 506.A O no hydrogen 3.776 N/A CYS 500.A SG GLN 507.A OE1 no hydrogen 3.224 N/A THR 501.A OG1 GLU 502.A OE1 no hydrogen 2.747 N/A PHE 506.A N LEU 513.A O no hydrogen 2.790 N/A GLN 507.A NE2 THR 508.A O no hydrogen 2.645 N/A THR 508.A N GLY 511.A O no hydrogen 2.991 N/A THR 508.A OG1 GLY 511.A O no hydrogen 2.761 N/A ALA 510.A N THR 508.A OG1 no hydrogen 2.865 N/A GLY 511.A N THR 508.A OG1 no hydrogen 2.859 N/A CYS 512.A N TYR 495.A O no hydrogen 3.063 N/A LEU 513.A N PHE 506.A O no hydrogen 2.770 N/A ILE 514.A N VAL 493.A O no hydrogen 2.859 N/A GLU 517.A N ILE 543.A O no hydrogen 2.972 N/A VAL 519.A N ALA 545.A O no hydrogen 3.077 N/A ILE 527.A N ALA 535.A O no hydrogen 2.741 N/A ILE 529.A N ILE 533.A O no hydrogen 3.107 N/A GLY 530.A N ILE 533.A O no hydrogen 3.421 N/A CYS 534.A N TYR 546.A O no hydrogen 3.063 N/A ALA 535.A N ILE 527.A O no hydrogen 2.817 N/A SER 536.A N ILE 544.A O no hydrogen 3.061 N/A TYR 537.A OH GLN 541.A OE1 no hydrogen 3.089 N/A GLN 538.A N SER 542.A O no hydrogen 3.131 N/A SER 542.A N GLN 538.A O no hydrogen 2.964 N/A ILE 544.A N SER 536.A O no hydrogen 2.859 N/A ALA 545.A N GLU 517.A O no hydrogen 2.838 N/A TYR 546.A N CYS 534.A O no hydrogen 3.314 N/A TYR 546.A OH GLU 524.A O no hydrogen 2.441 N/A MET 548.A N GLY 532.A O no hydrogen 2.973 N/A SER 549.A N TYR 523.A O no hydrogen 2.655 N/A TYR 558.A N VAL 556.A O no hydrogen 2.676 N/A ILE 563.A N PHE 900.A O no hydrogen 2.838 N/A THR 567.A N GLN 896.A O no hydrogen 2.453 N/A THR 567.A OG1 GLN 896.A O no hydrogen 2.866 N/A ASN 568.A ND2 GLN 896.A OE1 no hydrogen 3.652 N/A PHE 569.A N ASN 568.A OD1 no hydrogen 2.727 N/A THR 570.A N VAL 893.A O no hydrogen 2.721 N/A SER 572.A N THR 891.A O no hydrogen 2.976 N/A SER 572.A OG THR 891.A OG1 no hydrogen 2.690 N/A THR 574.A N HIS 889.A O no hydrogen 3.037 N/A GLU 576.A N PHE 887.A O no hydrogen 3.456 N/A LEU 578.A N VAL 885.A O no hydrogen 2.932 N/A SER 581.A OG HIS 883.A ND1 no hydrogen 3.168 N/A MET 582.A N GLN 625.A OE1 no hydrogen 2.805 N/A LYS 584.A NZ ASP 626.A OD1 no hydrogen 3.341 N/A LYS 584.A NZ ASP 626.A OD2 no hydrogen 2.443 N/A LYS 584.A NZ PRO 687.A O no hydrogen 3.194 N/A THR 585.A OG1 TYR 832.A OH no hydrogen 3.349 N/A SER 586.A N THR 684.A O no hydrogen 3.074 N/A ASP 588.A N GLY 682.A O no hydrogen 2.764 N/A CYS 589.A SG CYS 611.A O no hydrogen 3.159 N/A TYR 592.A N ASP 588.A O no hydrogen 2.954 N/A TYR 592.A OH LEU 787.A O no hydrogen 2.754 N/A CYS 594.A N THR 590.A O no hydrogen 2.958 N/A SER 597.A N CYS 594.A O no hydrogen 3.299 N/A GLU 599.A N GLU 599.A OE1 no hydrogen 2.932 N/A CYS 600.A N SER 597.A OG no hydrogen 3.320 N/A SER 601.A N SER 597.A O no hydrogen 3.292 N/A ASN 602.A N THR 598.A O no hydrogen 3.112 N/A LEU 604.A N CYS 600.A O no hydrogen 3.085 N/A LEU 605.A N SER 601.A O no hydrogen 3.320 N/A GLN 606.A N LEU 603.A O no hydrogen 3.401 N/A TYR 607.A N LEU 604.A O no hydrogen 3.157 N/A TYR 607.A OH THR 823.A OG1 no hydrogen 3.211 N/A GLY 608.A N LEU 605.A O no hydrogen 3.354 N/A CYS 611.A SG THR 590.A OG1 no hydrogen 3.184 N/A LEU 614.A N CYS 611.A O no hydrogen 3.177 N/A ASN 615.A N CYS 611.A O no hydrogen 3.294 N/A ALA 617.A N GLN 613.A O no hydrogen 2.984 N/A LEU 618.A N LEU 614.A O no hydrogen 3.210 N/A THR 619.A N ARG 616.A O no hydrogen 3.235 N/A THR 619.A OG1 ASN 615.A O no hydrogen 2.613 N/A GLY 620.A N ARG 616.A O no hydrogen 2.890 N/A ILE 621.A N ALA 617.A O no hydrogen 3.233 N/A VAL 623.A N THR 619.A O no hydrogen 2.759 N/A GLN 625.A N ILE 621.A O no hydrogen 3.096 N/A ASP 626.A N VAL 623.A O no hydrogen 2.955 N/A LYS 627.A N GLU 624.A O no hydrogen 3.062 N/A ASN 628.A N GLU 624.A O no hydrogen 2.769 N/A THR 629.A OG1 GLN 625.A O no hydrogen 3.308 N/A GLU 631.A N LYS 627.A O no hydrogen 2.882 N/A VAL 632.A N ASN 628.A O no hydrogen 3.135 N/A PHE 633.A N THR 629.A O no hydrogen 3.427 N/A ALA 634.A N GLN 630.A O no hydrogen 3.206 N/A GLN 635.A N PHE 633.A O no hydrogen 2.701 N/A GLN 635.A NE2 GLU 631.A O no hydrogen 2.972 N/A GLN 635.A NE2 ALA 851.A O no hydrogen 3.269 N/A LYS 646.A NZ PRO 643.A O no hydrogen 2.675 N/A PHE 651.A N PHE 648.A O no hydrogen 2.829 N/A ASN 652.A N ASN 753.A OD1 no hydrogen 2.672 N/A SER 654.A N ASN 652.A OD1 no hydrogen 3.431 N/A SER 654.A OG ASN 652.A OD1 no hydrogen 3.163 N/A ILE 656.A N PHE 653.A O no hydrogen 3.135 N/A LEU 657.A N PHE 653.A O no hydrogen 3.018 N/A ASP 659.A N ARG 666.A O no hydrogen 3.289 N/A SER 661.A N ASP 659.A OD1 no hydrogen 3.508 N/A LYS 662.A N ASP 659.A O no hydrogen 3.429 N/A LYS 662.A NZ ASP 671.A OD2 no hydrogen 2.123 N/A SER 667.A N GLU 670.A OE1 no hydrogen 2.870 N/A SER 667.A OG GLN 879.A OE1 no hydrogen 3.301 N/A GLU 670.A N SER 667.A OG no hydrogen 2.926 N/A ASP 671.A N SER 667.A O no hydrogen 3.337 N/A LEU 672.A N PHE 668.A O no hydrogen 3.244 N/A LEU 673.A N ILE 669.A O no hydrogen 3.066 N/A PHE 674.A N GLU 670.A O no hydrogen 3.094 N/A THR 678.A N GLN 774.A OE1 no hydrogen 3.056 N/A THR 684.A OG1 SER 586.A O no hydrogen 2.923 N/A LEU 686.A N LYS 584.A O no hydrogen 2.613 N/A LEU 689.A N ASP 626.A OD1 no hydrogen 3.084 N/A MET 694.A N THR 691.A O no hydrogen 2.990 N/A ILE 695.A N THR 691.A O no hydrogen 3.104 N/A GLN 697.A N MET 694.A O no hydrogen 3.032 N/A TYR 698.A N MET 694.A O no hydrogen 3.169 N/A THR 699.A N ILE 695.A O no hydrogen 3.113 N/A THR 699.A OG1 GLU 670.A OE2 no hydrogen 2.907 N/A THR 699.A OG1 ILE 695.A O no hydrogen 3.263 N/A ALA 701.A N GLN 697.A O no hydrogen 3.088 N/A LEU 702.A N TYR 698.A O no hydrogen 2.565 N/A ALA 704.A N SER 700.A O no hydrogen 2.706 N/A THR 706.A OG1 LEU 702.A O no hydrogen 2.850 N/A ILE 707.A N LEU 703.A O no hydrogen 3.316 N/A THR 708.A N ALA 704.A O no hydrogen 3.429 N/A THR 708.A OG1 ALA 704.A O no hydrogen 2.603 N/A SER 709.A N GLY 705.A O no hydrogen 2.935 N/A SER 709.A OG GLY 705.A O no hydrogen 2.333 N/A THR 712.A OG1 SER 709.A O no hydrogen 2.959 N/A GLY 714.A N TRP 711.A O no hydrogen 3.193 N/A GLY 716.A N THR 712.A O no hydrogen 3.276 N/A LEU 719.A N THR 712.A OG1 no hydrogen 3.297 N/A GLN 720.A N GLN 720.A OE1 no hydrogen 2.787 N/A ILE 721.A N THR 708.A O no hydrogen 3.274 N/A MET 725.A N PRO 722.A O no hydrogen 2.802 N/A GLN 726.A N PRO 722.A O no hydrogen 3.042 N/A GLN 726.A N PHE 723.A O no hydrogen 3.287 N/A GLN 726.A NE2 THR 706.A O no hydrogen 3.130 N/A MET 727.A N PHE 723.A O no hydrogen 3.416 N/A ARG 730.A N GLN 726.A O no hydrogen 2.980 N/A ARG 730.A NH1 GLY 860.A O no hydrogen 2.904 N/A PHE 731.A N MET 727.A O no hydrogen 2.738 N/A ASN 732.A N ALA 728.A O no hydrogen 3.366 N/A ASN 732.A ND2 GLN 738.A OE1 no hydrogen 3.252 N/A GLY 733.A N TYR 729.A O no hydrogen 3.042 N/A GLY 733.A N ARG 730.A O no hydrogen 3.298 N/A ILE 734.A N PHE 731.A O no hydrogen 3.248 N/A GLY 735.A N ASN 732.A O no hydrogen 3.473 N/A VAL 736.A N PHE 731.A O no hydrogen 3.027 N/A THR 737.A N GLN 931.A OE1 no hydrogen 3.091 N/A THR 737.A OG1 GLN 931.A OE1 no hydrogen 2.757 N/A ASN 739.A ND2 GLU 936.A OE1 no hydrogen 3.436 N/A VAL 740.A N THR 737.A O no hydrogen 2.922 N/A TYR 742.A N GLN 738.A O no hydrogen 3.491 N/A TYR 742.A OH ALA 724.A O no hydrogen 3.288 N/A GLU 743.A N ASN 739.A O no hydrogen 3.353 N/A ASN 744.A N LEU 741.A O no hydrogen 2.995 N/A ASN 744.A ND2 VAL 740.A O no hydrogen 3.238 N/A GLN 745.A NE2 GLY 649.A O no hydrogen 2.903 N/A ILE 748.A N ASN 744.A O no hydrogen 3.098 N/A ALA 749.A N GLN 745.A O no hydrogen 2.977 N/A ASN 750.A N LYS 746.A O no hydrogen 3.311 N/A GLN 751.A N LEU 747.A O no hydrogen 2.943 N/A PHE 752.A N ILE 748.A O no hydrogen 2.785 N/A ASN 753.A N ALA 749.A O no hydrogen 3.122 N/A ASN 753.A ND2 GLY 650.A O no hydrogen 3.452 N/A SER 754.A OG ASN 750.A O no hydrogen 3.032 N/A ALA 755.A N PHE 752.A O no hydrogen 3.262 N/A ILE 756.A N PHE 752.A O no hydrogen 3.136 N/A GLY 757.A N ASN 753.A O no hydrogen 3.093 N/A ILE 759.A N ILE 756.A O no hydrogen 2.972 N/A GLN 760.A NE2 GLN 655.A OE1 no hydrogen 2.350 N/A SER 762.A N LYS 758.A O no hydrogen 3.079 N/A LEU 763.A N GLN 760.A O no hydrogen 2.847 N/A SER 764.A N GLN 760.A O no hydrogen 2.444 N/A SER 764.A OG GLN 760.A O no hydrogen 3.261 N/A SER 765.A OG ASP 761.A O no hydrogen 2.991 N/A LEU 773.A N LEU 770.A O no hydrogen 3.284 N/A GLN 774.A N LEU 770.A O no hydrogen 2.970 N/A GLN 774.A NE2 ASN 778.A OD1 no hydrogen 3.543 N/A ASP 775.A N GLY 771.A O no hydrogen 3.252 N/A VAL 777.A N LEU 773.A O no hydrogen 3.440 N/A ASN 778.A N GLN 774.A O no hydrogen 2.860 N/A GLN 779.A N ASP 775.A O no hydrogen 2.894 N/A ALA 781.A N VAL 777.A O no hydrogen 3.121 N/A GLN 782.A N ASN 778.A O no hydrogen 2.864 N/A LEU 784.A N ASN 780.A O no hydrogen 3.090 N/A ASN 785.A N ALA 781.A O no hydrogen 3.267 N/A THR 786.A N GLN 782.A O no hydrogen 2.902 N/A THR 786.A OG1 GLN 782.A O no hydrogen 2.833 N/A VAL 788.A N LEU 784.A O no hydrogen 2.857 N/A GLN 790.A N LEU 787.A O no hydrogen 3.316 N/A LEU 791.A N VAL 788.A O no hydrogen 3.150 N/A SER 792.A N LYS 789.A O no hydrogen 3.410 N/A SER 792.A OG LYS 789.A O no hydrogen 2.936 N/A SER 793.A N GLN 790.A O no hydrogen 3.360 N/A ALA 797.A N ASN 794.A O no hydrogen 2.735 N/A ILE 798.A N GLN 817.A OE1 no hydrogen 3.023 N/A VAL 801.A N SER 799.A OG no hydrogen 3.417 N/A ASP 804.A N VAL 801.A O no hydrogen 3.137 N/A LEU 806.A N LEU 802.A O no hydrogen 3.397 N/A SER 807.A OG ASN 803.A O no hydrogen 3.049 N/A ARG 808.A N ILE 805.A O no hydrogen 3.190 N/A ALA 814.A N CYS 810.A O no hydrogen 2.620 N/A VAL 816.A N GLU 813.A O no hydrogen 3.035 N/A ILE 818.A N ALA 814.A O no hydrogen 2.925 N/A ARG 820.A N GLN 817.A O no hydrogen 3.166 N/A ARG 820.A NH1 GLY 796.A O no hydrogen 3.068 N/A ILE 822.A N ILE 818.A O no hydrogen 2.937 N/A THR 823.A OG1 TYR 607.A OH no hydrogen 3.211 N/A THR 823.A OG1 ASP 819.A O no hydrogen 2.539 N/A GLY 824.A N ARG 820.A O no hydrogen 3.079 N/A ARG 825.A N LEU 821.A O no hydrogen 2.689 N/A ARG 825.A NH1 ILE 593.A O no hydrogen 2.791 N/A LEU 826.A N ILE 822.A O no hydrogen 3.027 N/A SER 828.A N GLY 824.A O no hydrogen 3.257 N/A LEU 829.A N ARG 825.A O no hydrogen 3.025 N/A GLN 830.A N LEU 826.A O no hydrogen 3.152 N/A THR 831.A N GLN 827.A O no hydrogen 3.033 N/A THR 831.A OG1 GLN 827.A O no hydrogen 2.860 N/A TYR 832.A N SER 828.A O no hydrogen 3.318 N/A TYR 832.A OH THR 585.A OG1 no hydrogen 3.349 N/A VAL 833.A N LEU 829.A O no hydrogen 2.707 N/A THR 834.A N GLN 830.A O no hydrogen 3.196 N/A THR 834.A OG1 GLN 830.A O no hydrogen 2.755 N/A GLN 835.A N THR 831.A O no hydrogen 3.064 N/A GLN 836.A N TYR 832.A O no hydrogen 2.945 N/A LEU 837.A N VAL 833.A O no hydrogen 2.754 N/A ILE 838.A N THR 834.A O no hydrogen 3.302 N/A ARG 839.A N GLN 835.A O no hydrogen 3.035 N/A ALA 840.A N GLN 836.A O no hydrogen 2.809 N/A ALA 841.A N LEU 837.A O no hydrogen 3.058 N/A ALA 841.A N ILE 838.A O no hydrogen 3.245 N/A GLU 842.A N ARG 839.A O no hydrogen 3.038 N/A ILE 843.A N ARG 839.A O no hydrogen 3.151 N/A ARG 844.A N ALA 840.A O no hydrogen 3.256 N/A ARG 844.A NH1 GLU 624.A OE1 no hydrogen 3.069 N/A SER 846.A N GLU 842.A O no hydrogen 3.026 N/A SER 846.A OG PRO 579.A O no hydrogen 3.167 N/A ALA 847.A N ARG 844.A O no hydrogen 3.278 N/A ASN 848.A N ARG 844.A O no hydrogen 2.961 N/A ALA 851.A N ALA 847.A O no hydrogen 2.573 N/A THR 852.A N ASN 848.A O no hydrogen 3.124 N/A THR 852.A OG1 ASN 848.A O no hydrogen 2.640 N/A LYS 853.A N LEU 849.A O no hydrogen 3.005 N/A LYS 853.A NZ PHE 867.A O no hydrogen 2.479 N/A MET 854.A N ALA 850.A O no hydrogen 2.826 N/A SER 855.A OG GLN 635.A OE1 no hydrogen 2.878 N/A SER 855.A OG ALA 851.A O no hydrogen 3.198 N/A GLU 856.A N THR 852.A O no hydrogen 2.900 N/A CYS 857.A SG HIS 873.A NE2 no hydrogen 3.337 N/A CYS 857.A SG SER 876.A OG no hydrogen 3.112 N/A CYS 857.A SG HIS 889.A ND1 no hydrogen 3.478 N/A LEU 859.A N MET 854.A O no hydrogen 3.495 N/A GLN 861.A NE2 ARG 730.A O no hydrogen 3.173 N/A GLN 861.A NE2 HIS 873.A O no hydrogen 3.003 N/A SER 862.A N HIS 873.A ND1 no hydrogen 3.529 N/A LYS 863.A NZ GLY 733.A O no hydrogen 2.856 N/A ARG 864.A N SER 862.A OG no hydrogen 3.005 N/A ARG 864.A NH1 GLU 856.A OE1 no hydrogen 2.822 N/A PHE 867.A N ARG 864.A O no hydrogen 3.256 N/A TYR 872.A N TYR 892.A O no hydrogen 3.016 N/A HIS 873.A NE2 SER 876.A OG no hydrogen 3.170 N/A LEU 874.A N VAL 890.A O no hydrogen 3.014 N/A MET 875.A N VAL 890.A O no hydrogen 3.373 N/A SER 876.A OG CYS 857.A O no hydrogen 3.163 N/A SER 876.A OG HIS 873.A NE2 no hydrogen 3.170 N/A SER 876.A OG HIS 889.A ND1 no hydrogen 2.768 N/A PHE 877.A N LEU 888.A O no hydrogen 3.356 N/A GLN 879.A N VAL 886.A O no hydrogen 2.561 N/A SER 880.A N GLU 670.A OE2 no hydrogen 3.507 N/A HIS 883.A ND1 SER 581.A OG no hydrogen 3.168 N/A VAL 885.A N LEU 578.A O no hydrogen 2.913 N/A VAL 886.A N GLN 879.A O no hydrogen 2.761 N/A PHE 887.A N GLU 576.A O no hydrogen 2.955 N/A LEU 888.A N PHE 877.A O no hydrogen 2.913 N/A HIS 889.A ND1 SER 876.A OG no hydrogen 2.768 N/A HIS 889.A NE2 GLU 576.A OE1 no hydrogen 2.519 N/A VAL 890.A N MET 875.A O no hydrogen 2.719 N/A THR 891.A N SER 572.A O no hydrogen 2.876 N/A THR 891.A OG1 SER 572.A O no hydrogen 2.760 N/A THR 891.A OG1 LYS 870.A O no hydrogen 3.522 N/A TYR 892.A N TYR 872.A O no hydrogen 2.487 N/A VAL 893.A N THR 570.A O no hydrogen 2.853 N/A ALA 895.A N ASN 568.A O no hydrogen 2.753 N/A GLN 896.A N ASN 568.A O no hydrogen 3.306 N/A LYS 898.A N ILE 565.A O no hydrogen 3.421 N/A PHE 900.A N ILE 563.A O no hydrogen 2.731 N/A THR 902.A N ASN 561.A O no hydrogen 2.865 N/A THR 902.A OG1 PHE 920.A O no hydrogen 2.725 N/A ILE 906.A N HIS 913.A O no hydrogen 3.276 N/A CYS 907.A N VAL 958.A O no hydrogen 2.863 N/A HIS 908.A N LYS 911.A O no hydrogen 3.165 N/A HIS 913.A N ILE 906.A O no hydrogen 2.893 N/A PHE 914.A N PHE 946.A O no hydrogen 2.900 N/A ARG 916.A N ASN 944.A O no hydrogen 2.715 N/A ARG 916.A NH1 THR 942.A O no hydrogen 3.199 N/A VAL 919.A N THR 930.A O no hydrogen 2.860 N/A VAL 921.A N PHE 928.A O no hydrogen 2.659 N/A SER 922.A OG HIS 926.A O no hydrogen 2.917 N/A GLY 924.A N SER 922.A OG no hydrogen 2.968 N/A THR 925.A N ASN 923.A OD1 no hydrogen 3.312 N/A THR 925.A OG1 ASN 923.A OD1 no hydrogen 3.423 N/A THR 925.A OG1 HIS 926.A ND1 no hydrogen 2.855 N/A HIS 926.A N ASN 923.A OD1 no hydrogen 3.408 N/A HIS 926.A ND1 THR 925.A OG1 no hydrogen 2.855 N/A PHE 928.A N VAL 921.A O no hydrogen 2.845 N/A VAL 929.A N GLN 938.A O no hydrogen 3.285 N/A THR 930.A N VAL 919.A O no hydrogen 2.903 N/A THR 930.A OG1 GLN 931.A O no hydrogen 3.432 N/A THR 930.A OG1 PHE 934.A O no hydrogen 3.468 N/A THR 930.A OG1 GLU 936.A O no hydrogen 2.951 N/A GLN 931.A NE2 PHE 934.A O no hydrogen 3.686 N/A ASN 933.A ND2 ILE 734.A O no hydrogen 3.246 N/A TYR 935.A N PRO 566.A O no hydrogen 2.716 N/A GLU 936.A N THR 930.A OG1 no hydrogen 2.831 N/A GLN 938.A N VAL 929.A O no hydrogen 2.977 N/A ASP 943.A N THR 941.A OG1 no hydrogen 3.349 N/A ASN 944.A N THR 941.A O no hydrogen 3.300 N/A THR 945.A N THR 941.A O no hydrogen 3.274 N/A THR 945.A OG1 THR 941.A O no hydrogen 2.926 N/A PHE 946.A N PHE 914.A O no hydrogen 2.849 N/A SER 948.A N ALA 912.A O no hydrogen 3.279 N/A CYS 951.A SG GLY 910.A O no hydrogen 3.259 N/A VAL 958.A N ALA 905.A O no hydrogen 3.423 N/A ASN 960.A N CYS 907.A O no hydrogen 3.314 N/A VAL 962.A N HIS 908.A ND1 no hydrogen 3.170 N/A TYR 963.A N ILE 940.A O no hydrogen 2.925 N/A LEU 966.A N ASP 964.A OD1 no hydrogen 3.497 N/A LEU 970.A N LEU 966.A O no hydrogen 3.228 N/A ASP 971.A N GLN 967.A O no hydrogen 2.805 N/A SER 972.A N PRO 968.A O no hydrogen 3.415 N/A