Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8i9d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 2.902 N/A THR 7.A OG1 GLY 149.A O no hydrogen 2.948 N/A ARG 8.A NH1 GLU 125.A OE2 no hydrogen 3.294 N/A TYR 11.A OH ASP 27.A OD2 no hydrogen 2.604 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.467 N/A TYR 12.A N LEU 153.A O no hydrogen 3.160 N/A SER 19.A OG SER 20.A OG no hydrogen 2.862 N/A SER 19.A OG ASN 194.A O no hydrogen 3.095 N/A SER 20.A N SER 19.A OG no hydrogen 2.248 N/A SER 20.A OG SER 19.A OG no hydrogen 2.862 N/A HIS 23.A N LEU 191.A O no hydrogen 2.914 N/A SER 24.A OG PHE 189.A O no hydrogen 3.439 N/A THR 25.A N PHE 189.A O no hydrogen 2.973 N/A ASP 27.A N ARG 187.A O no hydrogen 2.982 N/A PHE 29.A N GLN 185.A O no hydrogen 2.871 N/A PHE 32.A N ASP 204.A OD2 no hydrogen 3.402 N/A PHE 33.A N PHE 6.A O no hydrogen 3.312 N/A SER 34.A N SER 5.A OG no hydrogen 3.042 N/A SER 34.A OG PRO 31.A O no hydrogen 2.245 N/A VAL 36.A N THR 3.A O no hydrogen 2.939 N/A TRP 38.A N SER 1.A O no hydrogen 2.848 N/A TRP 38.A NE1 TYR 180.A OH no hydrogen 3.152 N/A PHE 39.A N TYR 179.A O no hydrogen 2.894 N/A ASN 41.A ND2 HIS 40.A O no hydrogen 3.213 N/A LEU 44.A N PHE 168.A O no hydrogen 2.975 N/A PHE 46.A N THR 166.A O no hydrogen 3.257 N/A ASP 48.A N PHE 46.A O no hydrogen 2.562 N/A VAL 50.A N PHE 128.A O no hydrogen 2.933 N/A TYR 51.A N GLY 182.A O no hydrogen 3.275 N/A TYR 51.A OH GLU 125.A OE2 no hydrogen 2.614 N/A PHE 52.A N PHE 126.A O no hydrogen 2.922 N/A SER 54.A OG ALA 53.A O no hydrogen 2.406 N/A SER 58.A OG GLU 56.A OE1 no hydrogen 3.013 N/A ARG 62.A N LEU 171.A O no hydrogen 2.944 N/A ARG 62.A NE ASN 59.A O no hydrogen 2.351 N/A ARG 62.A NH1 ASN 81.A O no hydrogen 3.325 N/A PHE 66.A N LEU 77.A O no hydrogen 3.390 N/A THR 68.A OG1 THR 69.A OG1 no hydrogen 3.408 N/A THR 69.A OG1 THR 68.A OG1 no hydrogen 3.408 N/A SER 72.A N ASP 71.A OD1 no hydrogen 2.613 N/A SER 72.A OG PHE 93.A O no hydrogen 2.740 N/A LYS 73.A NZ LYS 73.A O no hydrogen 2.313 N/A GLN 75.A NE2 THR 115.A OG1 no hydrogen 3.372 N/A SER 76.A N CYS 91.A O no hydrogen 3.353 N/A SER 76.A OG LEU 77.A O no hydrogen 3.234 N/A LEU 78.A N LYS 89.A O no hydrogen 2.899 N/A ILE 79.A N TRP 64.A O no hydrogen 3.266 N/A VAL 80.A N VAL 87.A O no hydrogen 3.287 N/A THR 84.A OG1 ASN 85.A O no hydrogen 3.362 N/A VAL 87.A N VAL 80.A O no hydrogen 2.774 N/A VAL 90.A N PHE 116.A O no hydrogen 2.822 N/A GLU 92.A N ASN 112.A O no hydrogen 2.849 N/A CYS 96.A N VAL 107.A O no hydrogen 2.969 N/A CYS 96.A SG ARG 106.A O no hydrogen 3.037 N/A SER 109.A N GLN 94.A O no hydrogen 2.743 N/A SER 110.A OG SER 109.A O no hydrogen 2.920 N/A ASN 112.A N GLU 92.A O no hydrogen 2.917 N/A CYS 114.A SG ALA 111.A O no hydrogen 3.133 N/A THR 115.A N VAL 90.A O no hydrogen 2.765 N/A THR 115.A OG1 ASN 113.A O no hydrogen 3.001 N/A TYR 118.A OH SER 120.A OG no hydrogen 2.740 N/A SER 120.A OG TYR 118.A OH no hydrogen 2.740 N/A SER 120.A OG VAL 119.A O no hydrogen 2.585 N/A LEU 123.A N THR 142.A O no hydrogen 3.120 N/A ARG 124.A N SER 54.A O no hydrogen 3.167 N/A PHE 126.A N PHE 52.A O no hydrogen 2.883 N/A VAL 127.A N TYR 138.A O no hydrogen 2.913 N/A PHE 128.A N VAL 50.A O no hydrogen 2.925 N/A LYS 129.A N LYS 136.A O no hydrogen 2.992 N/A LYS 129.A NZ TYR 11.A OH no hydrogen 3.085 N/A ILE 131.A N TYR 134.A O no hydrogen 2.897 N/A TYR 134.A N ILE 131.A O no hydrogen 2.898 N/A PHE 135.A N LEU 159.A O no hydrogen 3.044 N/A LYS 136.A N LYS 129.A O no hydrogen 2.853 N/A TYR 138.A N VAL 127.A O no hydrogen 2.912 N/A SER 139.A N GLU 154.A O no hydrogen 3.215 N/A SER 139.A OG LYS 140.A O no hydrogen 3.275 N/A LYS 140.A N GLU 125.A O no hydrogen 3.074 N/A HIS 141.A ND1 LYS 140.A O no hydrogen 2.253 N/A THR 142.A N LEU 123.A O no hydrogen 3.403 N/A LEU 153.A N VAL 10.A O no hydrogen 2.575 N/A GLU 154.A N SER 139.A O no hydrogen 3.156 N/A LEU 156.A N ILE 137.A O no hydrogen 2.848 N/A VAL 157.A N ILE 137.A O no hydrogen 3.411 N/A ILE 161.A N LEU 159.A O no hydrogen 2.940 N/A THR 166.A N GLY 67.A O no hydrogen 2.733 N/A ARG 167.A N GLY 67.A O no hydrogen 2.602 N/A PHE 168.A N LEU 44.A O no hydrogen 3.395 N/A GLN 169.A N ILE 65.A O no hydrogen 2.909 N/A ALA 173.A N ILE 60.A O no hydrogen 3.177 N/A TYR 179.A N PHE 39.A O no hydrogen 3.066 N/A TYR 180.A N ALA 53.A O no hydrogen 3.513 N/A GLY 182.A N TYR 51.A O no hydrogen 3.186 N/A LEU 184.A N ASP 48.A O no hydrogen 3.434 N/A GLN 185.A N PHE 29.A O no hydrogen 2.923 N/A ARG 187.A N ASP 27.A O no hydrogen 2.824 N/A ARG 187.A NE ASP 204.A OD1 no hydrogen 3.237 N/A ARG 187.A NH2 ASP 204.A OD1 no hydrogen 3.171 N/A ARG 187.A NH2 ASP 204.A OD2 no hydrogen 2.436 N/A PHE 189.A N THR 25.A O no hydrogen 2.898 N/A LEU 190.A N VAL 203.A O no hydrogen 2.972 N/A LEU 191.A N HIS 23.A O no hydrogen 2.853 N/A LYS 192.A N ASP 201.A O no hydrogen 2.936 N/A ASN 194.A N THR 198.A O no hydrogen 2.719 N/A GLU 195.A N ASN 194.A OD1 no hydrogen 2.505 N/A GLY 197.A N ASN 194.A O no hydrogen 3.343 N/A THR 198.A OG1 TYR 12.A OH no hydrogen 2.785 N/A ILE 199.A N TYR 12.A OH no hydrogen 3.356 N/A THR 200.A N LYS 192.A O no hydrogen 3.076 N/A ALA 202.A N ASP 201.A OD1 no hydrogen 2.947 N/A VAL 203.A N LEU 190.A O no hydrogen 2.920 N/A CYS 205.A N VAL 203.A O no hydrogen 3.161 N/A CYS 205.A SG THR 188.A O no hydrogen 3.142 N/A CYS 205.A SG VAL 203.A O no hydrogen 3.633 N/A LEU 207.A N ASP 204.A O no hydrogen 3.036 N/A SER 211.A N ASP 208.A O no hydrogen 2.567 N/A SER 211.A N ASP 208.A OD1 no hydrogen 3.365 N/A SER 211.A OG ASP 208.A OD1 no hydrogen 2.595 N/A GLU 212.A N ASP 208.A O no hydrogen 3.333 N/A THR 213.A N PRO 209.A O no hydrogen 2.949 N/A THR 213.A OG1 PRO 209.A O no hydrogen 3.164 N/A LYS 214.A N LEU 210.A O no hydrogen 2.947 N/A CYS 215.A N SER 211.A O no hydrogen 2.919 N/A THR 216.A N GLU 212.A O no hydrogen 2.947 N/A THR 216.A OG1 GLU 212.A O no hydrogen 2.407 N/A LEU 217.A N THR 213.A O no hydrogen 2.945 N/A LYS 218.A N CYS 215.A O no hydrogen 3.261 N/A LYS 218.A NZ LEU 22.A O no hydrogen 3.406 N/A SER 219.A N LYS 214.A O no hydrogen 3.149 N/A SER 219.A OG THR 221.A O no hydrogen 3.107 N/A THR 221.A N SER 219.A OG no hydrogen 3.035 N/A LYS 224.A NZ ASP 559.A OD1 no hydrogen 3.030 N/A TYR 227.A N VAL 511.A O no hydrogen 3.430 N/A TYR 227.A OH GLU 223.A O no hydrogen 2.448 N/A THR 229.A N VAL 509.A O no hydrogen 2.835 N/A SER 230.A N VAL 509.A O no hydrogen 3.262 N/A SER 230.A OG ASN 231.A O no hydrogen 3.541 N/A PHE 232.A N GLY 507.A O no hydrogen 2.783 N/A THR 237.A OG1 GLU 238.A OE1 no hydrogen 2.374 N/A ILE 240.A N ASN 454.A O no hydrogen 2.756 N/A ARG 242.A NE THR 445.A O no hydrogen 3.351 N/A ARG 242.A NH1 THR 445.A O no hydrogen 3.224 N/A ARG 242.A NH2 ASP 492.A OD1 no hydrogen 3.199 N/A CYS 250.A SG ASP 278.A O no hydrogen 3.476 N/A PHE 252.A N CYS 250.A O no hydrogen 2.610 N/A GLU 254.A N PRO 251.A O no hydrogen 3.294 N/A VAL 255.A N PHE 252.A O no hydrogen 3.291 N/A PHE 256.A N PHE 252.A O no hydrogen 3.327 N/A THR 260.A OG1 PHE 261.A O no hydrogen 3.304 N/A SER 263.A OG LEU 366.A O no hydrogen 2.336 N/A ASN 268.A N SER 313.A O no hydrogen 3.375 N/A ARG 269.A NE ASP 312.A OD1 no hydrogen 2.855 N/A ARG 269.A NH1 ASP 312.A OD1 no hydrogen 3.439 N/A ARG 269.A NH1 ASP 312.A OD2 no hydrogen 3.087 N/A LYS 270.A N ALA 311.A O no hydrogen 3.147 N/A ARG 271.A NE ILE 272.A O no hydrogen 3.241 N/A ARG 271.A NH2 ILE 272.A O no hydrogen 2.675 N/A ILE 272.A N VAL 309.A O no hydrogen 3.176 N/A CYS 275.A SG VAL 276.A O no hydrogen 3.214 N/A VAL 276.A N ASN 248.A O no hydrogen 3.001 N/A ILE 282.A N TYR 279.A O no hydrogen 3.269 N/A TYR 283.A N TYR 279.A O no hydrogen 2.946 N/A PHE 285.A N ILE 282.A O no hydrogen 3.038 N/A ALA 290.A N ALA 349.A O no hydrogen 3.072 N/A LYS 292.A N VAL 347.A O no hydrogen 3.119 N/A TYR 294.A N GLY 345.A O no hydrogen 3.450 N/A LYS 300.A NZ SER 297.A OG no hydrogen 2.886 N/A ASP 303.A N LYS 300.A O no hydrogen 2.969 N/A THR 307.A OG1 GLU 430.A O no hydrogen 2.380 N/A ASN 308.A N GLU 430.A O no hydrogen 3.217 N/A TYR 310.A N SER 428.A O no hydrogen 2.859 N/A ALA 311.A N LYS 270.A O no hydrogen 3.325 N/A ASP 312.A N VAL 426.A O no hydrogen 2.935 N/A SER 313.A N ASN 268.A O no hydrogen 3.152 N/A PHE 314.A N VAL 424.A O no hydrogen 3.362 N/A ILE 316.A N TYR 422.A O no hydrogen 3.177 N/A ASN 319.A N GLY 418.A O no hydrogen 3.167 N/A GLN 323.A N GLU 320.A O no hydrogen 3.061 N/A ILE 324.A N VAL 321.A O no hydrogen 3.064 N/A GLY 330.A N ASP 334.A OD1 no hydrogen 2.680 N/A ASN 336.A ND2 ARG 368.A O no hydrogen 2.993 N/A TYR 337.A N ILE 332.A O no hydrogen 3.050 N/A TYR 337.A OH ASP 312.A OD2 no hydrogen 2.343 N/A THR 344.A OG1 ASP 342.A O no hydrogen 3.109 N/A CYS 346.A N LEU 427.A O no hydrogen 3.131 N/A VAL 347.A N LYS 292.A O no hydrogen 3.220 N/A ALA 349.A N ALA 290.A O no hydrogen 2.894 N/A TRP 350.A N ARG 423.A O no hydrogen 3.229 N/A ASN 351.A ND2 GLN 420.A OE1 no hydrogen 3.295 N/A ASN 351.A ND2 TYR 422.A OH no hydrogen 3.343 N/A SER 352.A N PRO 421.A O no hydrogen 3.364 N/A SER 352.A OG SER 352.A O no hydrogen 2.319 N/A SER 352.A OG ASP 356.A OD2 no hydrogen 3.011 N/A SER 352.A OG PRO 421.A O no hydrogen 3.317 N/A ASN 353.A N ASN 351.A OD1 no hydrogen 2.638 N/A ASP 356.A N SER 352.A O no hydrogen 3.521 N/A SER 357.A OG ASN 353.A O no hydrogen 2.258 N/A SER 357.A OG ASN 353.A OD1 no hydrogen 3.137 N/A SER 360.A OG PRO 359.A O no hydrogen 2.525 N/A ASN 362.A ND2 ASP 356.A O no hydrogen 2.402 N/A TYR 367.A N GLN 407.A O no hydrogen 2.872 N/A ARG 368.A NH2 SER 383.A O no hydrogen 2.335 N/A ARG 371.A NE ASP 381.A OD2 no hydrogen 3.129 N/A ARG 371.A NH1 SER 373.A O no hydrogen 3.083 N/A ARG 371.A NH2 ASP 381.A OD2 no hydrogen 2.342 N/A LYS 374.A NZ ASP 334.A OD2 no hydrogen 3.012 N/A LEU 375.A N ASP 334.A O no hydrogen 2.824 N/A PHE 378.A N LYS 338.A O no hydrogen 3.358 N/A SER 383.A OG GLU 385.A OE2 no hydrogen 2.512 N/A THR 384.A N GLU 385.A OE2 no hydrogen 2.793 N/A GLU 385.A N SER 383.A OG no hydrogen 3.307 N/A TYR 387.A N TYR 403.A O no hydrogen 3.112 N/A ALA 389.A N ASN 401.A O no hydrogen 2.839 N/A LYS 392.A NZ SER 400.A O no hydrogen 2.959 N/A TYR 403.A N TYR 387.A O no hydrogen 3.138 N/A TYR 409.A N TYR 365.A O no hydrogen 2.954 N/A TYR 409.A OH GLU 320.A OE2 no hydrogen 3.394 N/A THR 414.A OG1 THR 414.A O no hydrogen 2.382 N/A TYR 415.A OH GLY 410.A O no hydrogen 2.492 N/A HIS 419.A N GLY 416.A O no hydrogen 3.022 N/A GLN 420.A NE2 TYR 415.A O no hydrogen 3.121 N/A TYR 422.A N ILE 316.A O no hydrogen 3.043 N/A ARG 423.A N TRP 350.A O no hydrogen 3.188 N/A VAL 424.A N PHE 314.A O no hydrogen 3.172 N/A VAL 425.A N ILE 348.A O no hydrogen 3.120 N/A VAL 426.A N ASP 312.A O no hydrogen 3.320 N/A LEU 427.A N CYS 346.A O no hydrogen 3.010 N/A SER 428.A N TYR 310.A O no hydrogen 2.816 N/A LEU 432.A N THR 307.A OG1 no hydrogen 3.368 N/A THR 437.A OG1 PHE 306.A O no hydrogen 2.263 N/A THR 437.A OG1 THR 307.A O no hydrogen 3.069 N/A THR 437.A OG1 VAL 438.A O no hydrogen 3.100 N/A CYS 439.A N CYS 275.A O no hydrogen 3.147 N/A CYS 439.A SG GLY 440.A O no hydrogen 3.915 N/A LYS 442.A NZ GLY 440.A O no hydrogen 2.722 N/A THR 445.A OG1 VAL 241.A O no hydrogen 3.022 N/A ASN 450.A N LEU 466.A O no hydrogen 3.053 N/A PHE 455.A N GLY 462.A O no hydrogen 2.916 N/A ASN 456.A N ILE 240.A O no hydrogen 2.555 N/A PHE 457.A N LEU 460.A O no hydrogen 2.676 N/A ASN 458.A N ARG 242.A O no hydrogen 2.683 N/A ASN 458.A ND2 ASN 458.A O no hydrogen 2.409 N/A LEU 460.A N PHE 457.A O no hydrogen 2.375 N/A GLY 462.A N PHE 455.A O no hydrogen 2.957 N/A VAL 465.A N THR 502.A O no hydrogen 2.845 N/A THR 467.A N ASP 500.A O no hydrogen 3.002 N/A THR 467.A OG1 LEU 466.A O no hydrogen 3.478 N/A SER 469.A N ILE 498.A O no hydrogen 3.214 N/A SER 469.A OG ASP 500.A OD1 no hydrogen 3.074 N/A LYS 471.A N SER 469.A OG no hydrogen 3.004 N/A LEU 474.A N GLN 477.A OE1 no hydrogen 2.796 N/A PHE 476.A N LEU 474.A O no hydrogen 2.475 N/A GLN 477.A N LEU 474.A O no hydrogen 2.840 N/A GLY 480.A N ALA 489.A O no hydrogen 2.991 N/A ASP 482.A N THR 486.A O no hydrogen 2.995 N/A ASP 485.A N ASP 482.A O no hydrogen 2.952 N/A ASP 488.A N GLY 480.A O no hydrogen 2.968 N/A ALA 489.A N GLY 480.A O no hydrogen 3.424 N/A VAL 490.A N LEU 499.A O no hydrogen 2.925 N/A ARG 491.A NH1 LEU 474.A O no hydrogen 3.568 N/A ASP 492.A N GLU 497.A O no hydrogen 2.983 N/A THR 495.A OG1 GLU 497.A OE2 no hydrogen 2.978 N/A LEU 496.A N ASP 492.A O no hydrogen 2.659 N/A LEU 499.A N VAL 490.A O no hydrogen 2.885 N/A ASP 500.A N THR 467.A O no hydrogen 2.871 N/A ILE 501.A N ASP 488.A O no hydrogen 2.921 N/A THR 502.A N VAL 465.A O no hydrogen 2.956 N/A THR 502.A OG1 PRO 503.A O no hydrogen 3.400 N/A VAL 509.A N SER 230.A O no hydrogen 2.753 N/A SER 510.A N LEU 525.A O no hydrogen 2.926 N/A VAL 511.A N TYR 227.A O no hydrogen 2.990 N/A ILE 512.A N ALA 523.A O no hydrogen 2.849 N/A GLY 515.A N THR 513.A OG1 no hydrogen 2.906 N/A THR 518.A N GLY 515.A O no hydrogen 2.932 N/A SER 519.A N GLY 515.A O no hydrogen 3.136 N/A GLN 521.A N SER 519.A OG no hydrogen 3.029 N/A ALA 523.A N ILE 512.A O no hydrogen 2.954 N/A VAL 524.A N ILE 547.A O no hydrogen 2.912 N/A LEU 525.A N SER 510.A O no hydrogen 2.893 N/A TYR 526.A N CYS 545.A O no hydrogen 2.908 N/A GLN 527.A N GLY 508.A O no hydrogen 2.983 N/A GLY 528.A N ALA 543.A O no hydrogen 3.144 N/A GLU 533.A N ASN 530.A O no hydrogen 3.184 N/A ASN 537.A N SER 536.A OG no hydrogen 2.482 N/A PHE 539.A N LEU 546.A O no hydrogen 3.006 N/A GLN 540.A NE2 ASN 530.A OD1 no hydrogen 3.081 N/A THR 541.A N GLY 544.A O no hydrogen 2.850 N/A GLY 544.A N THR 541.A O no hydrogen 3.292 N/A CYS 545.A N TYR 526.A O no hydrogen 2.911 N/A LEU 546.A N PHE 539.A O no hydrogen 2.906 N/A ILE 547.A N VAL 524.A O no hydrogen 2.912 N/A GLY 548.A N ASN 537.A O no hydrogen 3.176 N/A ILE 560.A N ALA 568.A O no hydrogen 3.141 N/A ILE 562.A N ILE 566.A O no hydrogen 2.915 N/A GLY 563.A N ILE 566.A O no hydrogen 3.038 N/A ILE 566.A N GLY 563.A O no hydrogen 2.930 N/A CYS 567.A N TYR 578.A O no hydrogen 3.028 N/A ALA 568.A N ILE 560.A O no hydrogen 2.932 N/A SER 569.A N ILE 576.A O no hydrogen 2.874 N/A SER 569.A OG ASP 559.A OD2 no hydrogen 2.222 N/A GLN 571.A NE2 TYR 556.A OH no hydrogen 3.236 N/A GLN 571.A NE2 THR 572.A OG1 no hydrogen 2.810 N/A ILE 576.A N SER 569.A O no hydrogen 2.433 N/A TYR 578.A OH GLU 557.A O no hydrogen 2.765 N/A MET 580.A N GLY 565.A O no hydrogen 3.221 N/A TYR 590.A N VAL 588.A O no hydrogen 2.842 N/A SER 591.A OG ASN 593.A OD1 no hydrogen 3.490 N/A ASN 593.A N SER 591.A OG no hydrogen 3.303 N/A ILE 595.A N PHE 928.A O no hydrogen 3.226 N/A ILE 597.A N LYS 926.A O no hydrogen 2.899 N/A THR 599.A N ALA 923.A O no hydrogen 3.199 N/A THR 599.A N GLN 924.A O no hydrogen 3.170 N/A THR 599.A OG1 GLN 924.A O no hydrogen 2.487 N/A ASN 600.A N ALA 923.A O no hydrogen 2.980 N/A PHE 601.A N ASN 600.A OD1 no hydrogen 3.064 N/A THR 602.A N VAL 921.A O no hydrogen 2.842 N/A SER 604.A N THR 919.A O no hydrogen 3.011 N/A SER 604.A OG THR 919.A OG1 no hydrogen 3.176 N/A THR 606.A N HIS 917.A O no hydrogen 2.960 N/A GLU 608.A N PHE 915.A O no hydrogen 2.937 N/A LEU 610.A N VAL 913.A O no hydrogen 2.956 N/A VAL 612.A N HIS 911.A O no hydrogen 2.812 N/A SER 613.A N HIS 911.A O no hydrogen 3.285 N/A MET 614.A N GLN 657.A OE1 no hydrogen 3.186 N/A LYS 616.A NZ ASP 658.A OD1 no hydrogen 3.412 N/A LYS 616.A NZ ASP 658.A OD2 no hydrogen 3.008 N/A LYS 616.A NZ PRO 718.A O no hydrogen 3.008 N/A THR 617.A OG1 TYR 860.A OH no hydrogen 3.375 N/A SER 618.A N THR 715.A O no hydrogen 2.857 N/A ASP 620.A N GLY 713.A O no hydrogen 2.747 N/A TYR 624.A N ASP 620.A O no hydrogen 3.028 N/A TYR 624.A N CYS 621.A O no hydrogen 3.181 N/A TYR 624.A OH LEU 815.A O no hydrogen 2.872 N/A ILE 625.A N CYS 621.A O no hydrogen 2.922 N/A CYS 626.A N THR 622.A O no hydrogen 2.962 N/A GLY 627.A N THR 622.A O no hydrogen 3.329 N/A GLU 631.A N GLU 631.A OE2 no hydrogen 2.629 N/A CYS 632.A SG ILE 625.A O no hydrogen 3.893 N/A SER 633.A N SER 629.A O no hydrogen 3.140 N/A ASN 634.A N THR 630.A O no hydrogen 3.166 N/A ASN 634.A ND2 THR 630.A O no hydrogen 2.653 N/A LEU 635.A N GLU 631.A O no hydrogen 3.417 N/A LEU 636.A N CYS 632.A O no hydrogen 3.053 N/A GLN 638.A N LEU 635.A O no hydrogen 3.191 N/A TYR 639.A N LEU 636.A O no hydrogen 2.952 N/A TYR 639.A OH THR 851.A OG1 no hydrogen 3.260 N/A GLY 640.A N LEU 637.A O no hydrogen 3.507 N/A THR 644.A N SER 641.A O no hydrogen 3.240 N/A GLN 645.A N SER 641.A O no hydrogen 3.326 N/A LEU 646.A N PHE 642.A O no hydrogen 3.060 N/A LYS 647.A NZ ASP 620.A OD1 no hydrogen 3.328 N/A ARG 648.A N THR 644.A O no hydrogen 2.978 N/A ALA 649.A N GLN 645.A O no hydrogen 2.972 N/A LEU 650.A N LEU 646.A O no hydrogen 3.044 N/A THR 651.A N LYS 647.A O no hydrogen 2.944 N/A THR 651.A OG1 LYS 647.A O no hydrogen 2.960 N/A GLY 652.A N ARG 648.A O no hydrogen 2.971 N/A ILE 653.A N ALA 649.A O no hydrogen 3.065 N/A ALA 654.A N LEU 650.A O no hydrogen 2.969 N/A VAL 655.A N THR 651.A O no hydrogen 3.035 N/A GLN 657.A NE2 ILE 653.A O no hydrogen 2.899 N/A GLN 657.A NE2 GLU 656.A OE2 no hydrogen 3.088 N/A ASP 658.A N VAL 655.A O no hydrogen 3.233 N/A LYS 659.A N VAL 655.A O no hydrogen 3.153 N/A ASN 660.A N GLU 656.A O no hydrogen 2.888 N/A ASN 660.A ND2 VAL 612.A O no hydrogen 3.297 N/A ASN 660.A ND2 GLU 656.A OE2 no hydrogen 3.508 N/A THR 661.A OG1 GLN 657.A O no hydrogen 3.350 N/A GLN 662.A N ASP 658.A O no hydrogen 3.068 N/A GLU 663.A N LYS 659.A O no hydrogen 3.410 N/A VAL 664.A N THR 661.A O no hydrogen 3.247 N/A PHE 665.A N THR 661.A O no hydrogen 3.075 N/A ALA 666.A N GLN 662.A O no hydrogen 3.164 N/A GLN 667.A N PHE 665.A O no hydrogen 2.872 N/A GLN 667.A NE2 GLU 663.A O no hydrogen 3.300 N/A GLN 667.A NE2 ALA 879.A O no hydrogen 3.204 N/A ASN 684.A N ASN 784.A OD1 no hydrogen 3.153 N/A SER 686.A N ASN 684.A OD1 no hydrogen 3.246 N/A SER 686.A OG ASN 684.A OD1 no hydrogen 3.069 N/A SER 686.A OG GLN 687.A OE1 no hydrogen 2.966 N/A GLN 687.A NE2 GLN 791.A OE1 no hydrogen 3.060 N/A ILE 688.A N PHE 685.A O no hydrogen 3.235 N/A ASP 691.A N ARG 698.A O no hydrogen 3.013 N/A SER 693.A OG ASP 691.A OD2 no hydrogen 2.857 N/A LYS 694.A N ASP 691.A O no hydrogen 3.252 N/A LYS 694.A NZ ASP 703.A OD2 no hydrogen 2.990 N/A SER 696.A OG SER 696.A O no hydrogen 2.184 N/A ARG 698.A NH2 ASP 703.A OD1 no hydrogen 3.185 N/A SER 699.A N GLU 702.A OE2 no hydrogen 2.945 N/A SER 699.A OG GLU 702.A OE2 no hydrogen 3.235 N/A SER 699.A OG GLN 907.A OE1 no hydrogen 2.981 N/A GLU 702.A N SER 699.A OG no hydrogen 3.107 N/A ASP 703.A N SER 699.A O no hydrogen 3.326 N/A LEU 705.A N ILE 701.A O no hydrogen 3.404 N/A PHE 706.A N GLU 702.A O no hydrogen 3.379 N/A ASN 707.A N ASP 703.A O no hydrogen 3.052 N/A LYS 708.A N LEU 705.A O no hydrogen 3.419 N/A LYS 708.A NZ LEU 794.A O no hydrogen 2.898 N/A THR 715.A N SER 618.A O no hydrogen 2.911 N/A LEU 717.A N LYS 616.A O no hydrogen 2.874 N/A MET 725.A N THR 722.A OG1 no hydrogen 3.387 N/A ILE 726.A N THR 722.A O no hydrogen 3.390 N/A ALA 727.A N ASP 723.A O no hydrogen 3.005 N/A GLN 728.A N GLU 724.A O no hydrogen 2.968 N/A TYR 729.A N MET 725.A O no hydrogen 2.981 N/A THR 730.A N ILE 726.A O no hydrogen 3.027 N/A THR 730.A OG1 GLU 702.A OE1 no hydrogen 3.073 N/A THR 730.A OG1 ALA 727.A O no hydrogen 3.182 N/A SER 731.A N ALA 727.A O no hydrogen 3.000 N/A SER 731.A OG ALA 727.A O no hydrogen 3.308 N/A SER 731.A OG GLN 728.A O no hydrogen 2.944 N/A ALA 732.A N GLN 728.A O no hydrogen 3.025 N/A LEU 733.A N TYR 729.A O no hydrogen 3.030 N/A LEU 734.A N THR 730.A O no hydrogen 2.960 N/A ALA 735.A N SER 731.A O no hydrogen 2.952 N/A GLY 736.A N ALA 732.A O no hydrogen 3.087 N/A THR 737.A N LEU 733.A O no hydrogen 3.043 N/A ILE 738.A N LEU 734.A O no hydrogen 3.195 N/A SER 740.A N GLY 736.A O no hydrogen 2.967 N/A THR 743.A N SER 740.A O no hydrogen 3.390 N/A THR 743.A OG1 SER 740.A O no hydrogen 2.770 N/A THR 743.A OG1 LEU 750.A O no hydrogen 3.402 N/A ALA 746.A N THR 743.A O no hydrogen 3.306 N/A LEU 750.A N THR 743.A OG1 no hydrogen 3.112 N/A GLN 751.A N GLN 751.A OE1 no hydrogen 2.841 N/A ILE 752.A N THR 739.A O no hydrogen 3.445 N/A GLN 757.A N PRO 753.A O no hydrogen 3.138 N/A MET 758.A N PHE 754.A O no hydrogen 2.957 N/A ALA 759.A N PRO 755.A O no hydrogen 2.954 N/A TYR 760.A N MET 756.A O no hydrogen 3.009 N/A ARG 761.A N GLN 757.A O no hydrogen 3.006 N/A ARG 761.A NH1 LEU 902.A O no hydrogen 3.537 N/A PHE 762.A N MET 758.A O no hydrogen 2.961 N/A ASN 763.A N ALA 759.A O no hydrogen 2.977 N/A GLY 764.A N TYR 760.A O no hydrogen 3.011 N/A ILE 765.A N PHE 762.A O no hydrogen 3.245 N/A GLY 766.A N ASN 763.A O no hydrogen 3.112 N/A VAL 767.A N PHE 762.A O no hydrogen 3.055 N/A VAL 771.A N THR 768.A O no hydrogen 3.364 N/A LEU 772.A N GLN 769.A O no hydrogen 3.001 N/A TYR 773.A N GLN 769.A O no hydrogen 3.017 N/A GLU 774.A N ASN 770.A O no hydrogen 2.932 N/A ASN 775.A N LEU 772.A O no hydrogen 3.173 N/A ILE 779.A N ASN 775.A O no hydrogen 2.934 N/A ALA 780.A N GLN 776.A O no hydrogen 2.931 N/A ASN 781.A N LYS 777.A O no hydrogen 2.929 N/A GLN 782.A N LEU 778.A O no hydrogen 2.945 N/A PHE 783.A N ILE 779.A O no hydrogen 2.999 N/A ASN 784.A N ALA 780.A O no hydrogen 2.951 N/A ASN 784.A ND2 GLY 682.A O no hydrogen 3.029 N/A SER 785.A N ASN 781.A O no hydrogen 2.930 N/A ALA 786.A N GLN 782.A O no hydrogen 2.974 N/A ALA 786.A N PHE 783.A O no hydrogen 3.246 N/A ILE 787.A N PHE 783.A O no hydrogen 2.960 N/A GLY 788.A N ASN 784.A O no hydrogen 3.013 N/A SER 793.A N LYS 789.A O no hydrogen 2.932 N/A SER 793.A OG ILE 790.A O no hydrogen 3.427 N/A LEU 794.A N ILE 790.A O no hydrogen 2.947 N/A SER 795.A N GLN 791.A O no hydrogen 2.895 N/A SER 796.A N ASP 792.A O no hydrogen 2.890 N/A SER 796.A OG ASP 792.A O no hydrogen 3.535 N/A SER 796.A OG SER 796.A O no hydrogen 2.328 N/A GLN 802.A N LEU 798.A O no hydrogen 3.100 N/A ASP 803.A N GLY 799.A O no hydrogen 2.914 N/A ASN 806.A N GLN 802.A O no hydrogen 3.011 N/A HIS 807.A N ASP 803.A O no hydrogen 2.880 N/A ASN 808.A N VAL 804.A O no hydrogen 3.254 N/A ALA 809.A N VAL 805.A O no hydrogen 3.069 N/A GLN 810.A N ASN 806.A O no hydrogen 2.888 N/A GLN 810.A NE2 GLN 810.A O no hydrogen 3.455 N/A ALA 811.A N HIS 807.A O no hydrogen 3.000 N/A LEU 812.A N ASN 808.A O no hydrogen 2.961 N/A ASN 813.A N ALA 809.A O no hydrogen 2.962 N/A THR 814.A N GLN 810.A O no hydrogen 3.308 N/A THR 814.A OG1 GLN 810.A O no hydrogen 3.175 N/A LEU 815.A N ALA 811.A O no hydrogen 3.012 N/A VAL 816.A N LEU 812.A O no hydrogen 3.372 N/A LYS 817.A N ASN 813.A O no hydrogen 2.925 N/A GLN 818.A N LEU 815.A O no hydrogen 3.448 N/A LEU 819.A N VAL 816.A O no hydrogen 3.030 N/A SER 820.A OG SER 820.A O no hydrogen 2.241 N/A SER 827.A OG VAL 829.A O no hydrogen 3.312 N/A ASP 832.A N VAL 829.A O no hydrogen 3.293 N/A ILE 833.A N VAL 829.A O no hydrogen 3.365 N/A LEU 834.A N LEU 830.A O no hydrogen 2.941 N/A ARG 836.A NH2 ASP 832.A OD2 no hydrogen 3.368 N/A GLU 841.A N ASP 838.A O no hydrogen 2.736 N/A ALA 842.A N ASP 838.A O no hydrogen 2.972 N/A GLU 843.A N PRO 839.A O no hydrogen 3.358 N/A ILE 846.A N ALA 842.A O no hydrogen 2.868 N/A ASP 847.A N GLU 843.A O no hydrogen 2.973 N/A ILE 850.A N ILE 846.A O no hydrogen 2.919 N/A THR 851.A N ASP 847.A O no hydrogen 2.980 N/A THR 851.A OG1 TYR 639.A OH no hydrogen 3.260 N/A GLY 852.A N ARG 848.A O no hydrogen 3.486 N/A ARG 853.A N LEU 849.A O no hydrogen 2.952 N/A ARG 853.A NH1 ILE 625.A O no hydrogen 2.645 N/A LEU 854.A N ILE 850.A O no hydrogen 2.930 N/A GLN 855.A N THR 851.A O no hydrogen 3.011 N/A SER 856.A N GLY 852.A O no hydrogen 2.984 N/A SER 856.A OG GLY 852.A O no hydrogen 3.481 N/A SER 856.A OG ARG 853.A O no hydrogen 2.766 N/A LEU 857.A N ARG 853.A O no hydrogen 2.995 N/A GLN 858.A N LEU 854.A O no hydrogen 2.965 N/A THR 859.A N GLN 855.A O no hydrogen 2.979 N/A THR 859.A OG1 GLN 855.A O no hydrogen 3.346 N/A TYR 860.A N SER 856.A O no hydrogen 3.042 N/A TYR 860.A OH THR 617.A OG1 no hydrogen 3.375 N/A VAL 861.A N LEU 857.A O no hydrogen 3.018 N/A THR 862.A N GLN 858.A O no hydrogen 2.997 N/A THR 862.A OG1 GLN 858.A O no hydrogen 3.361 N/A GLN 863.A N THR 859.A O no hydrogen 3.098 N/A GLN 864.A N TYR 860.A O no hydrogen 3.257 N/A LEU 865.A N VAL 861.A O no hydrogen 3.347 N/A ILE 866.A N THR 862.A O no hydrogen 3.110 N/A ARG 867.A N GLN 863.A O no hydrogen 2.977 N/A ALA 868.A N GLN 864.A O no hydrogen 2.885 N/A ALA 869.A N LEU 865.A O no hydrogen 3.054 N/A GLU 870.A N ARG 867.A O no hydrogen 3.254 N/A ILE 871.A N ARG 867.A O no hydrogen 3.096 N/A ARG 872.A N ALA 868.A O no hydrogen 2.962 N/A ARG 872.A NH1 ASN 660.A OD1 no hydrogen 2.580 N/A ARG 872.A NH1 GLU 663.A OE1 no hydrogen 3.501 N/A SER 874.A N GLU 870.A O no hydrogen 3.341 N/A SER 874.A OG PRO 611.A O no hydrogen 3.063 N/A ALA 875.A N ILE 871.A O no hydrogen 3.032 N/A ASN 876.A N ARG 872.A O no hydrogen 2.937 N/A LEU 877.A N ALA 873.A O no hydrogen 2.996 N/A ALA 878.A N SER 874.A O no hydrogen 2.947 N/A ALA 879.A N ALA 875.A O no hydrogen 2.972 N/A THR 880.A N ASN 876.A O no hydrogen 3.351 N/A THR 880.A OG1 ASN 876.A O no hydrogen 3.195 N/A LYS 881.A N LEU 877.A O no hydrogen 2.963 N/A LYS 881.A NZ GLU 608.A OE2 no hydrogen 3.354 N/A LYS 881.A NZ PHE 895.A O no hydrogen 2.717 N/A MET 882.A N ALA 878.A O no hydrogen 2.977 N/A SER 883.A N ALA 879.A O no hydrogen 3.346 N/A SER 883.A OG GLN 667.A OE1 no hydrogen 3.045 N/A GLU 884.A N THR 880.A O no hydrogen 2.914 N/A CYS 885.A N LYS 881.A O no hydrogen 2.873 N/A LEU 887.A N MET 882.A O no hydrogen 3.335 N/A GLN 889.A NE2 ARG 761.A O no hydrogen 3.029 N/A GLN 889.A NE2 HIS 901.A O no hydrogen 2.976 N/A SER 890.A N HIS 901.A ND1 no hydrogen 3.318 N/A ARG 892.A NE GLU 884.A OE1 no hydrogen 3.433 N/A ARG 892.A NH2 GLU 884.A OE1 no hydrogen 3.373 N/A LYS 898.A NZ ASP 894.A OD1 no hydrogen 3.470 N/A LYS 898.A NZ ASP 894.A OD2 no hydrogen 2.981 N/A TYR 900.A N TYR 920.A O no hydrogen 3.034 N/A HIS 901.A NE2 SER 904.A OG no hydrogen 3.160 N/A LEU 902.A N VAL 918.A O no hydrogen 2.891 N/A MET 903.A N VAL 918.A O no hydrogen 3.073 N/A SER 904.A OG HIS 901.A NE2 no hydrogen 3.160 N/A SER 904.A OG HIS 917.A ND1 no hydrogen 2.460 N/A PHE 905.A N LEU 916.A O no hydrogen 2.919 N/A GLN 907.A N VAL 914.A O no hydrogen 2.874 N/A GLN 907.A NE2 PRO 906.A O no hydrogen 2.877 N/A SER 908.A N GLU 702.A OE1 no hydrogen 3.230 N/A SER 908.A OG GLU 702.A OE1 no hydrogen 2.812 N/A ALA 909.A N GLY 912.A O no hydrogen 2.945 N/A GLY 912.A N ALA 909.A O no hydrogen 3.529 N/A VAL 913.A N LEU 610.A O no hydrogen 2.969 N/A VAL 914.A N GLN 907.A O no hydrogen 2.883 N/A PHE 915.A N GLU 608.A O no hydrogen 2.888 N/A LEU 916.A N PHE 905.A O no hydrogen 2.884 N/A HIS 917.A N THR 606.A O no hydrogen 2.852 N/A HIS 917.A ND1 SER 904.A OG no hydrogen 2.460 N/A HIS 917.A NE2 GLU 608.A OE2 no hydrogen 3.291 N/A VAL 918.A N MET 903.A O no hydrogen 2.803 N/A THR 919.A N SER 604.A O no hydrogen 2.920 N/A THR 919.A OG1 SER 604.A OG no hydrogen 3.176 N/A THR 919.A OG1 LYS 898.A O no hydrogen 3.225 N/A TYR 920.A N TYR 900.A O no hydrogen 2.953 N/A VAL 921.A N THR 602.A O no hydrogen 2.966 N/A ALA 923.A N ASN 600.A O no hydrogen 2.926 N/A GLU 925.A N GLU 925.A OE1 no hydrogen 2.669 N/A LYS 926.A N ILE 597.A O no hydrogen 2.982 N/A PHE 928.A N ILE 595.A O no hydrogen 2.921 N/A THR 930.A N ASN 593.A O no hydrogen 3.148 N/A ILE 934.A N HIS 941.A O no hydrogen 2.981 N/A CYS 935.A N VAL 986.A O no hydrogen 2.768 N/A CYS 935.A SG LYS 939.A O no hydrogen 3.764 N/A HIS 936.A N LYS 939.A O no hydrogen 2.951 N/A LYS 939.A N HIS 936.A O no hydrogen 2.924 N/A ALA 940.A N GLY 977.A O no hydrogen 3.302 N/A HIS 941.A N ILE 934.A O no hydrogen 2.874 N/A PHE 942.A N PHE 974.A O no hydrogen 2.917 N/A ARG 944.A N ASN 972.A O no hydrogen 2.930 N/A ARG 944.A NE THR 973.A O no hydrogen 3.217 N/A ARG 944.A NH2 THR 973.A O no hydrogen 3.423 N/A VAL 947.A N THR 958.A O no hydrogen 2.913 N/A VAL 949.A N PHE 956.A O no hydrogen 2.948 N/A SER 950.A OG HIS 954.A O no hydrogen 3.303 N/A ASN 951.A N HIS 954.A O no hydrogen 3.207 N/A GLY 952.A N SER 950.A OG no hydrogen 3.287 N/A THR 953.A N ASN 951.A OD1 no hydrogen 3.204 N/A HIS 954.A N ASN 951.A OD1 no hydrogen 3.262 N/A PHE 956.A N VAL 949.A O no hydrogen 2.890 N/A VAL 957.A N GLN 966.A O no hydrogen 3.033 N/A THR 958.A N VAL 947.A O no hydrogen 2.962 N/A TYR 963.A N PRO 598.A O no hydrogen 2.998 N/A GLN 966.A N VAL 957.A O no hydrogen 2.978 N/A THR 969.A N ASN 972.A OD1 no hydrogen 2.969 N/A THR 969.A OG1 ASN 972.A OD1 no hydrogen 3.487 N/A THR 970.A N TYR 991.A O no hydrogen 3.231 N/A ASP 971.A N THR 969.A OG1 no hydrogen 3.198 N/A ASN 972.A ND2 ILE 967.A O no hydrogen 3.137 N/A THR 973.A OG1 THR 969.A O no hydrogen 2.701 N/A PHE 974.A N PHE 942.A O no hydrogen 2.910 N/A SER 976.A N ALA 940.A O no hydrogen 3.176 N/A VAL 986.A N ALA 933.A O no hydrogen 3.474 N/A ASN 988.A N CYS 935.A O no hydrogen 3.405 N/A ASN 988.A ND2 THR 989.A O no hydrogen 3.466 N/A TYR 991.A N ILE 968.A O no hydrogen 3.207 N/A LEU 998.A N LEU 994.A O no hydrogen 2.898 N/A