Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8i9c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 2.901 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 3.295 N/A TYR 11.A OH ASP 27.A OD2 no hydrogen 2.603 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.466 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 3.096 N/A SER 20.A N SER 19.A OG no hydrogen 2.249 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 2.915 N/A SER 24.A OG PHE 189.A O no hydrogen 3.440 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 2.983 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 3.303 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 3.043 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 2.999 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 2.892 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 2.974 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 2.563 N/A VAL 50.A N PHE 128.A O no hydrogen 2.934 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 2.923 N/A SER 54.A OG ALA 53.A O no hydrogen 2.408 N/A SER 58.A OG GLU 56.A OE1 no hydrogen 3.011 N/A ARG 62.A N LEU 171.A O no hydrogen 2.945 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 2.314 N/A GLN 75.A NE2 THR 115.A OG1 no hydrogen 3.371 N/A SER 76.A N CYS 91.A O no hydrogen 3.352 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 3.288 N/A THR 84.A OG1 ASN 85.A O no hydrogen 3.360 N/A VAL 87.A N VAL 80.A O no hydrogen 2.775 N/A VAL 90.A N PHE 116.A O no hydrogen 2.821 N/A GLU 92.A N ASN 112.A O no hydrogen 2.848 N/A CYS 96.A N VAL 107.A O no hydrogen 2.970 N/A CYS 96.A SG ARG 106.A O no hydrogen 3.036 N/A SER 109.A N GLN 94.A O no hydrogen 2.742 N/A SER 110.A OG SER 109.A O no hydrogen 2.921 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 3.135 N/A THR 115.A N VAL 90.A O no hydrogen 2.764 N/A THR 115.A OG1 ASN 113.A O no hydrogen 3.002 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 2.903 N/A ARG 124.A N SER 54.A O no hydrogen 3.166 N/A GLU 125.A N LYS 140.A O no hydrogen 2.928 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 2.926 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 3.086 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 2.899 N/A PHE 135.A N LEU 159.A O no hydrogen 3.043 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 3.214 N/A LYS 140.A N GLU 125.A O no hydrogen 3.063 N/A LYS 140.A NZ SER 151.A OG no hydrogen 2.350 N/A HIS 141.A ND1 LYS 140.A O no hydrogen 2.639 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 3.157 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 3.410 N/A ILE 161.A N LEU 159.A O no hydrogen 2.939 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 2.604 N/A PHE 168.A N LEU 44.A O no hydrogen 3.397 N/A GLN 169.A N ILE 65.A O no hydrogen 2.910 N/A ALA 173.A N ILE 60.A O no hydrogen 3.176 N/A TYR 179.A N PHE 39.A O no hydrogen 3.065 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 3.185 N/A LEU 184.A N ASP 48.A O no hydrogen 3.433 N/A GLN 185.A N PHE 29.A O no hydrogen 2.922 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 3.277 N/A ARG 187.A NH2 ASP 204.A OD1 no hydrogen 3.188 N/A ARG 187.A NH2 ASP 204.A OD2 no hydrogen 2.441 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 2.852 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 2.720 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 3.341 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 3.077 N/A ALA 202.A N ASP 201.A OD1 no hydrogen 2.948 N/A VAL 203.A N LEU 190.A O no hydrogen 2.919 N/A CYS 205.A N THR 188.A O no hydrogen 2.896 N/A CYS 205.A SG VAL 203.A O no hydrogen 3.978 N/A ALA 206.A N ASP 204.A O no hydrogen 2.915 N/A SER 211.A N ASP 208.A OD1 no hydrogen 3.239 N/A SER 211.A OG ASP 208.A OD1 no hydrogen 2.445 N/A GLU 212.A N ASP 208.A O no hydrogen 3.172 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 3.166 N/A LYS 214.A N LEU 210.A O no hydrogen 2.946 N/A CYS 215.A N SER 211.A O no hydrogen 2.926 N/A THR 216.A N GLU 212.A O no hydrogen 2.949 N/A THR 216.A OG1 GLU 212.A O no hydrogen 2.408 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 3.349 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 3.108 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 3.163 N/A TYR 227.A N VAL 511.A O no hydrogen 3.258 N/A TYR 227.A OH GLU 223.A O no hydrogen 2.449 N/A THR 229.A N VAL 509.A O no hydrogen 2.436 N/A SER 230.A N VAL 509.A O no hydrogen 3.244 N/A SER 230.A OG ASN 231.A O no hydrogen 3.542 N/A PHE 232.A N GLY 507.A O no hydrogen 2.734 N/A VAL 234.A N SER 505.A O no hydrogen 3.012 N/A THR 237.A OG1 GLU 238.A OE1 no hydrogen 2.374 N/A ARG 242.A N ASN 456.A O no hydrogen 2.338 N/A ARG 242.A NH1 THR 445.A O no hydrogen 2.416 N/A ARG 242.A NH2 ASP 492.A OD2 no hydrogen 3.067 N/A CYS 250.A N VAL 276.A O no hydrogen 2.616 N/A CYS 250.A SG ASP 278.A OD1 no hydrogen 3.841 N/A PHE 252.A N CYS 250.A O no hydrogen 2.780 N/A GLU 254.A N PRO 251.A O no hydrogen 3.499 N/A ASN 257.A N GLU 254.A O no hydrogen 3.338 N/A SER 263.A OG ASN 364.A O no hydrogen 3.238 N/A ARG 269.A NE ASP 312.A OD1 no hydrogen 3.297 N/A ILE 272.A N VAL 309.A O no hydrogen 3.053 N/A CYS 275.A SG SER 273.A O no hydrogen 3.392 N/A VAL 276.A N ASN 248.A O no hydrogen 2.933 N/A ALA 277.A N CYS 439.A O no hydrogen 3.125 N/A VAL 281.A N ASP 278.A O no hydrogen 3.419 N/A LEU 282.A N TYR 279.A O no hydrogen 3.080 N/A TYR 283.A N TYR 279.A O no hydrogen 2.955 N/A ALA 290.A N ALA 349.A O no hydrogen 3.114 N/A LYS 292.A N VAL 347.A O no hydrogen 3.251 N/A ASP 303.A N LYS 300.A O no hydrogen 3.325 N/A THR 307.A N GLU 430.A O no hydrogen 2.710 N/A ASN 308.A N GLU 430.A O no hydrogen 3.264 N/A TYR 310.A N SER 428.A O no hydrogen 3.100 N/A ALA 311.A N LYS 270.A O no hydrogen 3.043 N/A PHE 314.A N VAL 424.A O no hydrogen 3.426 N/A ILE 316.A N TYR 422.A O no hydrogen 3.471 N/A ASN 319.A N GLY 418.A O no hydrogen 3.160 N/A GLU 320.A N ARG 317.A O no hydrogen 3.372 N/A VAL 321.A N GLY 318.A O no hydrogen 3.267 N/A GLN 323.A N GLU 320.A O no hydrogen 3.008 N/A ILE 324.A N VAL 321.A O no hydrogen 3.229 N/A ALA 325.A N GLN 323.A O no hydrogen 3.032 N/A GLY 330.A N ASP 334.A OD2 no hydrogen 2.575 N/A ASP 334.A N GLY 330.A O no hydrogen 3.096 N/A ASN 336.A N ILE 332.A O no hydrogen 3.407 N/A ASN 336.A ND2 ARG 368.A O no hydrogen 3.269 N/A TYR 337.A N ILE 332.A O no hydrogen 2.938 N/A ASP 341.A N ASP 341.A OD1 no hydrogen 2.415 N/A THR 344.A OG1 ASP 342.A O no hydrogen 3.443 N/A CYS 346.A N LEU 427.A O no hydrogen 2.818 N/A CYS 346.A SG LYS 292.A O no hydrogen 3.955 N/A CYS 346.A SG VAL 347.A O no hydrogen 4.045 N/A VAL 347.A N LYS 292.A O no hydrogen 2.996 N/A ILE 348.A N VAL 425.A O no hydrogen 3.080 N/A ALA 349.A N ALA 290.A O no hydrogen 3.090 N/A TRP 350.A N ARG 423.A O no hydrogen 3.253 N/A ASN 351.A ND2 GLN 420.A OE1 no hydrogen 3.336 N/A ASN 351.A ND2 TYR 422.A OH no hydrogen 3.153 N/A SER 352.A N PRO 421.A O no hydrogen 3.203 N/A SER 352.A OG ASP 356.A OD2 no hydrogen 2.351 N/A ASN 353.A N ASN 351.A OD1 no hydrogen 2.613 N/A LEU 355.A N SER 352.A O no hydrogen 3.352 N/A ASP 356.A N SER 352.A O no hydrogen 3.308 N/A GLY 361.A N LYS 358.A O no hydrogen 3.046 N/A ASN 362.A N PHE 411.A O no hydrogen 3.139 N/A ASN 364.A ND2 ASN 362.A OD1 no hydrogen 3.289 N/A LEU 369.A N PRO 405.A O no hydrogen 3.341 N/A ARG 371.A NE ASP 381.A OD2 no hydrogen 2.902 N/A ARG 371.A NH1 SER 373.A O no hydrogen 2.898 N/A ARG 371.A NH2 ASP 381.A OD2 no hydrogen 3.244 N/A SER 373.A OG ASN 374.A O no hydrogen 3.123 N/A LEU 375.A N ASP 334.A O no hydrogen 2.783 N/A PHE 378.A N LYS 338.A O no hydrogen 3.135 N/A THR 384.A OG1 ILE 382.A O no hydrogen 3.283 N/A TYR 387.A N TYR 403.A O no hydrogen 3.237 N/A ALA 389.A N ASN 401.A O no hydrogen 2.836 N/A CYS 402.A SG TYR 387.A O no hydrogen 3.923 N/A CYS 402.A SG ASN 401.A O no hydrogen 3.209 N/A TYR 403.A N TYR 387.A O no hydrogen 3.338 N/A GLN 407.A N TYR 367.A O no hydrogen 3.344 N/A TYR 409.A N TYR 365.A O no hydrogen 2.811 N/A TYR 409.A OH GLU 320.A OE2 no hydrogen 3.348 N/A TYR 415.A OH GLY 410.A O no hydrogen 2.503 N/A HIS 419.A N GLY 416.A O no hydrogen 2.738 N/A GLN 420.A NE2 TYR 415.A O no hydrogen 3.401 N/A TYR 422.A N ILE 316.A O no hydrogen 3.051 N/A ARG 423.A NE ASP 356.A OD2 no hydrogen 2.719 N/A ARG 423.A NH2 ASP 356.A OD1 no hydrogen 2.418 N/A ARG 423.A NH2 ASP 356.A OD2 no hydrogen 3.312 N/A VAL 424.A N PHE 314.A O no hydrogen 3.144 N/A VAL 425.A N ILE 348.A O no hydrogen 3.096 N/A VAL 426.A N ASP 312.A O no hydrogen 3.202 N/A SER 428.A N TYR 310.A O no hydrogen 3.074 N/A GLU 430.A N ASN 308.A O no hydrogen 3.200 N/A THR 437.A OG1 PHE 306.A O no hydrogen 2.213 N/A THR 437.A OG1 VAL 438.A O no hydrogen 2.765 N/A CYS 439.A N CYS 275.A O no hydrogen 3.394 N/A CYS 439.A SG THR 437.A O no hydrogen 3.847 N/A CYS 439.A SG VAL 438.A O no hydrogen 3.201 N/A LYS 442.A NZ ASN 302.A O no hydrogen 2.782 N/A LYS 442.A NZ PRO 441.A O no hydrogen 2.805 N/A THR 445.A OG1 VAL 241.A O no hydrogen 3.531 N/A THR 445.A OG1 ASN 446.A O no hydrogen 3.479 N/A ASN 450.A N LEU 466.A O no hydrogen 3.035 N/A VAL 453.A N GLY 464.A O no hydrogen 2.923 N/A ASN 454.A N GLU 238.A O no hydrogen 3.424 N/A PHE 455.A N GLY 462.A O no hydrogen 2.915 N/A ASN 456.A N ILE 240.A O no hydrogen 2.868 N/A PHE 457.A N LEU 460.A O no hydrogen 2.862 N/A ASN 458.A N ARG 242.A O no hydrogen 3.029 N/A ASN 458.A ND2 ASN 458.A O no hydrogen 2.408 N/A GLY 459.A N ASN 456.A OD1 no hydrogen 3.443 N/A LEU 460.A N PHE 457.A O no hydrogen 2.930 N/A GLY 462.A N PHE 455.A O no hydrogen 2.956 N/A GLY 464.A N VAL 453.A O no hydrogen 2.915 N/A VAL 465.A N THR 502.A O no hydrogen 2.846 N/A THR 467.A N ASP 500.A O no hydrogen 3.001 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 3.075 N/A LYS 471.A N SER 469.A OG no hydrogen 3.005 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 2.474 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 2.990 N/A ASP 482.A N THR 486.A O no hydrogen 2.996 N/A ASP 485.A N ASP 482.A O no hydrogen 2.953 N/A ASP 488.A N GLY 480.A O no hydrogen 2.969 N/A ALA 489.A N GLY 480.A O no hydrogen 3.425 N/A VAL 490.A N LEU 499.A O no hydrogen 2.924 N/A ARG 491.A NH1 LEU 474.A O no hydrogen 3.567 N/A ASP 492.A N GLU 497.A O no hydrogen 2.983 N/A GLN 494.A NE2 PHE 243.A O no hydrogen 3.179 N/A THR 495.A OG1 GLU 497.A OE2 no hydrogen 2.980 N/A LEU 496.A N ASP 492.A O no hydrogen 2.660 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 2.920 N/A THR 502.A N VAL 465.A O no hydrogen 2.957 N/A THR 502.A OG1 PRO 503.A O no hydrogen 3.120 N/A SER 505.A OG GLU 533.A OE2 no hydrogen 2.860 N/A VAL 509.A N SER 230.A O no hydrogen 2.572 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 2.801 N/A ILE 512.A N ALA 523.A O no hydrogen 2.848 N/A GLY 515.A N THR 513.A OG1 no hydrogen 2.906 N/A THR 516.A OG1 VAL 222.A O no hydrogen 3.455 N/A THR 518.A N GLY 515.A O no hydrogen 2.930 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 GLN 521.A NE2 GLN 573.A O no hydrogen 3.354 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 2.910 N/A GLN 527.A N GLY 508.A O no hydrogen 2.981 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 3.185 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 3.007 N/A GLN 540.A NE2 ASN 530.A OD1 no hydrogen 3.080 N/A THR 541.A N GLY 544.A O no hydrogen 2.851 N/A GLY 544.A N THR 541.A O no hydrogen 3.291 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 2.907 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 3.177 N/A ILE 560.A N ALA 568.A O no hydrogen 3.140 N/A ILE 562.A N ILE 566.A O no hydrogen 2.913 N/A GLY 563.A N ILE 566.A O no hydrogen 3.037 N/A ILE 566.A N GLY 563.A O no hydrogen 2.929 N/A CYS 567.A N TYR 578.A O no hydrogen 2.285 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 2.471 N/A SER 569.A OG ASP 559.A OD2 no hydrogen 2.221 N/A GLN 571.A NE2 TYR 556.A OH no hydrogen 3.235 N/A GLN 571.A NE2 THR 572.A OG1 no hydrogen 2.811 N/A SER 574.A OG GLN 521.A OE1 no hydrogen 3.203 N/A TYR 578.A OH GLU 557.A O no hydrogen 3.291 N/A TYR 578.A OH ALA 568.A O no hydrogen 3.360 N/A SER 581.A N TYR 556.A O no hydrogen 2.924 N/A SER 581.A OG TYR 556.A O no hydrogen 3.346 N/A ASN 586.A ND2 SER 587.A O no hydrogen 3.041 N/A TYR 590.A N VAL 588.A O no hydrogen 2.632 N/A ILE 595.A N PHE 927.A O no hydrogen 2.974 N/A ILE 597.A N LYS 925.A O no hydrogen 2.922 N/A THR 599.A N ALA 922.A O no hydrogen 3.243 N/A THR 599.A N GLN 923.A O no hydrogen 3.075 N/A THR 599.A OG1 GLN 923.A O no hydrogen 2.695 N/A ASN 600.A N ALA 922.A O no hydrogen 2.945 N/A ASN 600.A ND2 GLN 923.A OE1 no hydrogen 3.636 N/A PHE 601.A N ASN 600.A OD1 no hydrogen 2.988 N/A THR 602.A N VAL 920.A O no hydrogen 2.856 N/A THR 602.A OG1 VAL 920.A O no hydrogen 3.276 N/A SER 604.A N THR 918.A O no hydrogen 2.954 N/A THR 606.A N HIS 916.A O no hydrogen 2.971 N/A GLU 608.A N PHE 914.A O no hydrogen 2.925 N/A LEU 610.A N VAL 912.A O no hydrogen 2.966 N/A VAL 612.A N HIS 910.A O no hydrogen 2.852 N/A SER 613.A N HIS 910.A O no hydrogen 3.354 N/A SER 613.A OG MET 614.A O no hydrogen 3.343 N/A MET 614.A N GLN 657.A OE1 no hydrogen 2.911 N/A LYS 616.A NZ ALA 654.A O no hydrogen 3.277 N/A LYS 616.A NZ ASP 658.A OD2 no hydrogen 3.015 N/A THR 617.A OG1 TYR 859.A OH no hydrogen 3.371 N/A SER 618.A N THR 715.A O no hydrogen 2.759 N/A TYR 624.A N ASP 620.A O no hydrogen 3.112 N/A TYR 624.A OH LEU 814.A O no hydrogen 2.702 N/A ILE 625.A N CYS 621.A O no hydrogen 3.349 N/A CYS 626.A N THR 622.A O no hydrogen 2.905 N/A GLY 627.A N THR 622.A O no hydrogen 3.445 N/A GLU 631.A N GLU 631.A OE1 no hydrogen 2.624 N/A SER 633.A N SER 629.A O no hydrogen 3.154 N/A SER 633.A OG SER 629.A O no hydrogen 2.808 N/A ASN 634.A N THR 630.A O no hydrogen 3.264 N/A LEU 636.A N CYS 632.A O no hydrogen 2.936 N/A LEU 637.A N ASN 634.A O no hydrogen 3.361 N/A GLN 638.A N LEU 635.A O no hydrogen 3.323 N/A TYR 639.A N LEU 636.A O no hydrogen 3.448 N/A TYR 639.A OH ASP 846.A OD1 no hydrogen 3.199 N/A GLN 645.A N SER 641.A O no hydrogen 3.203 N/A GLN 645.A NE2 SER 641.A O no hydrogen 3.357 N/A LEU 646.A N PHE 642.A O no hydrogen 2.961 N/A LYS 647.A N CYS 643.A O no hydrogen 2.966 N/A LYS 647.A NZ ASP 620.A OD1 no hydrogen 2.508 N/A ARG 648.A N THR 644.A O no hydrogen 2.963 N/A ALA 649.A N GLN 645.A O no hydrogen 2.939 N/A LEU 650.A N LEU 646.A O no hydrogen 3.022 N/A THR 651.A N LYS 647.A O no hydrogen 2.973 N/A THR 651.A OG1 LYS 647.A O no hydrogen 3.340 N/A GLY 652.A N ARG 648.A O no hydrogen 3.299 N/A ALA 654.A N THR 651.A O no hydrogen 3.157 N/A VAL 655.A N THR 651.A O no hydrogen 3.013 N/A GLU 656.A N GLY 652.A O no hydrogen 3.323 N/A GLN 657.A NE2 ILE 653.A O no hydrogen 3.109 N/A LYS 659.A NZ GLU 663.A OE2 no hydrogen 3.333 N/A ASN 660.A N GLU 656.A O no hydrogen 2.948 N/A ASN 660.A ND2 VAL 612.A O no hydrogen 3.249 N/A ASN 660.A ND2 GLU 656.A OE1 no hydrogen 3.390 N/A GLN 662.A N ASP 658.A O no hydrogen 2.988 N/A GLU 663.A N LYS 659.A O no hydrogen 2.976 N/A PHE 665.A N THR 661.A O no hydrogen 3.007 N/A ALA 666.A N GLN 662.A O no hydrogen 3.350 N/A GLN 667.A N PHE 665.A O no hydrogen 2.885 N/A GLN 667.A NE2 SER 882.A OG no hydrogen 2.955 N/A LYS 678.A N PRO 676.A O no hydrogen 2.610 N/A PHE 683.A N PHE 680.A O no hydrogen 2.530 N/A ASN 684.A N ASN 784.A OD1 no hydrogen 3.108 N/A SER 686.A OG GLN 687.A OE1 no hydrogen 3.559 N/A GLN 687.A NE2 GLN 791.A OE1 no hydrogen 2.736 N/A ILE 688.A N PHE 685.A O no hydrogen 3.402 N/A ASP 691.A N ARG 698.A O no hydrogen 3.210 N/A SER 693.A N ASP 691.A O no hydrogen 2.644 N/A SER 693.A OG ASP 691.A OD1 no hydrogen 3.228 N/A LYS 694.A NZ ASP 703.A OD1 no hydrogen 2.820 N/A SER 699.A N GLU 702.A OE1 no hydrogen 2.974 N/A SER 699.A OG GLN 906.A OE1 no hydrogen 2.853 N/A ILE 701.A N GLN 687.A O no hydrogen 3.178 N/A GLU 702.A N SER 699.A OG no hydrogen 3.157 N/A ASP 703.A N SER 699.A O no hydrogen 3.415 N/A LEU 705.A N ILE 701.A O no hydrogen 3.293 N/A PHE 706.A N GLU 702.A O no hydrogen 2.945 N/A ASN 707.A N ASP 703.A O no hydrogen 2.947 N/A LYS 710.A N LEU 714.A O no hydrogen 2.992 N/A THR 715.A N SER 618.A O no hydrogen 2.901 N/A LEU 717.A N LYS 616.A O no hydrogen 2.963 N/A LEU 720.A N ASP 658.A OD1 no hydrogen 3.335 N/A THR 722.A OG1 GLU 724.A OE1 no hydrogen 3.128 N/A MET 725.A N THR 722.A O no hydrogen 3.117 N/A ILE 726.A N THR 722.A O no hydrogen 3.172 N/A ALA 727.A N ASP 723.A O no hydrogen 2.998 N/A GLN 728.A N GLU 724.A O no hydrogen 3.314 N/A TYR 729.A N MET 725.A O no hydrogen 3.014 N/A THR 730.A N ILE 726.A O no hydrogen 3.033 N/A THR 730.A OG1 GLU 702.A OE2 no hydrogen 3.177 N/A THR 730.A OG1 ALA 727.A O no hydrogen 3.264 N/A SER 731.A N ALA 727.A O no hydrogen 2.975 N/A SER 731.A OG ALA 727.A O no hydrogen 3.562 N/A SER 731.A OG GLN 728.A O no hydrogen 3.086 N/A ALA 732.A N GLN 728.A O no hydrogen 3.396 N/A LEU 733.A N TYR 729.A O no hydrogen 3.075 N/A LEU 734.A N THR 730.A O no hydrogen 3.209 N/A ALA 735.A N SER 731.A O no hydrogen 2.964 N/A GLY 736.A N ALA 732.A O no hydrogen 2.946 N/A THR 737.A N LEU 733.A O no hydrogen 3.048 N/A ILE 738.A N LEU 734.A O no hydrogen 3.191 N/A THR 739.A N ALA 735.A O no hydrogen 3.387 N/A THR 739.A OG1 ALA 735.A O no hydrogen 2.819 N/A SER 740.A N GLY 736.A O no hydrogen 3.276 N/A THR 743.A N SER 740.A O no hydrogen 3.383 N/A THR 743.A OG1 SER 740.A O no hydrogen 2.875 N/A THR 743.A OG1 LEU 750.A O no hydrogen 3.539 N/A ALA 746.A N THR 743.A O no hydrogen 3.185 N/A LEU 750.A N THR 743.A OG1 no hydrogen 3.044 N/A GLN 751.A N GLN 751.A OE1 no hydrogen 3.124 N/A ILE 752.A N THR 739.A O no hydrogen 3.271 N/A GLN 757.A N PRO 753.A O no hydrogen 3.041 N/A MET 758.A N PHE 754.A O no hydrogen 2.920 N/A ALA 759.A N PRO 755.A O no hydrogen 2.979 N/A TYR 760.A N MET 756.A O no hydrogen 3.244 N/A ARG 761.A N GLN 757.A O no hydrogen 3.021 N/A ARG 761.A NH1 LEU 901.A O no hydrogen 2.883 N/A PHE 762.A N MET 758.A O no hydrogen 2.945 N/A ASN 763.A N ALA 759.A O no hydrogen 2.967 N/A ASN 763.A ND2 VAL 767.A O no hydrogen 3.108 N/A GLY 764.A N TYR 760.A O no hydrogen 2.997 N/A ILE 765.A N PHE 762.A O no hydrogen 3.209 N/A GLY 766.A N ASN 763.A O no hydrogen 3.095 N/A VAL 767.A N PHE 762.A O no hydrogen 3.153 N/A THR 768.A OG1 GLN 958.A OE1 no hydrogen 3.229 N/A VAL 771.A N THR 768.A O no hydrogen 3.289 N/A LEU 772.A N GLN 769.A O no hydrogen 2.981 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 2.895 N/A ASN 775.A N LEU 772.A O no hydrogen 3.129 N/A ASN 775.A ND2 VAL 771.A O no hydrogen 2.696 N/A GLN 776.A NE2 GLY 681.A O no hydrogen 3.023 N/A ILE 779.A N ASN 775.A O no hydrogen 2.938 N/A ALA 780.A N GLN 776.A O no hydrogen 2.952 N/A ASN 781.A N LYS 777.A O no hydrogen 2.955 N/A GLN 782.A N LEU 778.A O no hydrogen 2.923 N/A PHE 783.A N ILE 779.A O no hydrogen 3.002 N/A ASN 784.A N ALA 780.A O no hydrogen 2.945 N/A ASN 784.A ND2 GLY 682.A O no hydrogen 3.519 N/A SER 785.A N ASN 781.A O no hydrogen 2.992 N/A SER 785.A OG ASN 781.A O no hydrogen 2.746 N/A ALA 786.A N GLN 782.A O no hydrogen 2.981 N/A ILE 787.A N PHE 783.A O no hydrogen 2.970 N/A GLY 788.A N ASN 784.A O no hydrogen 2.956 N/A LYS 789.A N SER 785.A O no hydrogen 3.003 N/A ILE 790.A N ILE 787.A O no hydrogen 3.258 N/A SER 793.A N LYS 789.A O no hydrogen 3.288 N/A LEU 794.A N ILE 790.A O no hydrogen 2.942 N/A SER 795.A N GLN 791.A O no hydrogen 2.902 N/A SER 795.A OG GLN 791.A O no hydrogen 2.871 N/A LYS 799.A NZ ILE 609.A O no hydrogen 3.051 N/A LEU 800.A N LEU 797.A O no hydrogen 3.242 N/A GLN 801.A N LEU 797.A O no hydrogen 3.152 N/A GLN 801.A NE2 ASN 805.A OD1 no hydrogen 3.632 N/A ASP 802.A N GLY 798.A O no hydrogen 2.912 N/A VAL 804.A N LEU 800.A O no hydrogen 3.529 N/A ASN 805.A N GLN 801.A O no hydrogen 2.930 N/A HIS 806.A N ASP 802.A O no hydrogen 2.935 N/A ASN 807.A N VAL 803.A O no hydrogen 3.042 N/A ALA 808.A N VAL 804.A O no hydrogen 3.037 N/A GLN 809.A N ASN 805.A O no hydrogen 2.901 N/A ALA 810.A N HIS 806.A O no hydrogen 3.046 N/A ALA 810.A N ASN 807.A O no hydrogen 3.220 N/A LEU 811.A N ASN 807.A O no hydrogen 3.048 N/A ASN 812.A N ALA 808.A O no hydrogen 2.975 N/A THR 813.A OG1 GLN 809.A O no hydrogen 3.059 N/A LEU 814.A N ALA 810.A O no hydrogen 3.081 N/A VAL 815.A N LEU 811.A O no hydrogen 2.985 N/A LYS 816.A N ASN 812.A O no hydrogen 2.922 N/A GLN 817.A N THR 813.A O no hydrogen 3.032 N/A GLN 817.A NE2 SER 855.A OG no hydrogen 2.708 N/A LEU 818.A N VAL 815.A O no hydrogen 3.184 N/A SER 819.A OG LYS 816.A O no hydrogen 3.482 N/A SER 820.A OG GLN 817.A O no hydrogen 3.563 N/A LYS 821.A NZ ILE 825.A O no hydrogen 3.491 N/A ALA 824.A N LYS 821.A O no hydrogen 3.092 N/A SER 826.A OG ASP 831.A OD2 no hydrogen 2.917 N/A SER 827.A OG LEU 818.A O no hydrogen 3.567 N/A ASP 831.A N VAL 828.A O no hydrogen 3.199 N/A SER 834.A N ASP 831.A O no hydrogen 2.750 N/A ARG 835.A N ASP 831.A O no hydrogen 3.222 N/A ARG 835.A N ILE 832.A O no hydrogen 2.541 N/A ARG 835.A NE ASP 831.A OD1 no hydrogen 3.018 N/A GLU 840.A N ASP 837.A O no hydrogen 2.583 N/A GLU 840.A N ASP 837.A OD1 no hydrogen 2.538 N/A ALA 841.A N ASP 837.A O no hydrogen 2.883 N/A GLU 842.A N PRO 838.A O no hydrogen 3.045 N/A VAL 843.A N GLU 840.A O no hydrogen 3.137 N/A ILE 845.A N ALA 841.A O no hydrogen 2.903 N/A ASP 846.A N GLU 842.A O no hydrogen 2.981 N/A ILE 849.A N ILE 845.A O no hydrogen 2.966 N/A THR 850.A N ASP 846.A O no hydrogen 2.931 N/A THR 850.A OG1 ASP 846.A O no hydrogen 2.870 N/A GLY 851.A N ARG 847.A O no hydrogen 2.990 N/A ARG 852.A N LEU 848.A O no hydrogen 2.980 N/A ARG 852.A NH1 ILE 625.A O no hydrogen 2.964 N/A LEU 853.A N ILE 849.A O no hydrogen 2.975 N/A GLN 854.A N THR 850.A O no hydrogen 3.362 N/A SER 855.A N GLY 851.A O no hydrogen 3.049 N/A LEU 856.A N ARG 852.A O no hydrogen 3.025 N/A GLN 857.A N LEU 853.A O no hydrogen 2.981 N/A THR 858.A N GLN 854.A O no hydrogen 3.018 N/A THR 858.A OG1 GLN 854.A O no hydrogen 2.963 N/A TYR 859.A N SER 855.A O no hydrogen 3.085 N/A TYR 859.A OH THR 617.A OG1 no hydrogen 3.371 N/A VAL 860.A N LEU 856.A O no hydrogen 3.011 N/A THR 861.A N GLN 857.A O no hydrogen 3.001 N/A THR 861.A OG1 GLN 857.A O no hydrogen 3.324 N/A GLN 862.A N THR 858.A O no hydrogen 3.068 N/A GLN 863.A N TYR 859.A O no hydrogen 2.994 N/A LEU 864.A N VAL 860.A O no hydrogen 3.010 N/A ILE 865.A N THR 861.A O no hydrogen 3.095 N/A ARG 866.A N GLN 862.A O no hydrogen 3.350 N/A ARG 866.A NH1 GLN 863.A OE1 no hydrogen 3.263 N/A ALA 867.A N GLN 863.A O no hydrogen 2.941 N/A GLU 869.A N ARG 866.A O no hydrogen 3.207 N/A ILE 870.A N ARG 866.A O no hydrogen 3.068 N/A ARG 871.A N ALA 867.A O no hydrogen 2.994 N/A ARG 871.A NH1 GLU 656.A OE2 no hydrogen 3.118 N/A ALA 872.A N ALA 868.A O no hydrogen 3.476 N/A SER 873.A N GLU 869.A O no hydrogen 3.376 N/A SER 873.A OG PRO 611.A O no hydrogen 3.146 N/A ALA 874.A N ILE 870.A O no hydrogen 3.001 N/A ASN 875.A N ARG 871.A O no hydrogen 2.914 N/A LEU 876.A N ALA 872.A O no hydrogen 2.991 N/A ALA 877.A N SER 873.A O no hydrogen 2.929 N/A ALA 878.A N ALA 874.A O no hydrogen 2.976 N/A THR 879.A N ASN 875.A O no hydrogen 3.013 N/A LYS 880.A N LEU 876.A O no hydrogen 2.977 N/A LYS 880.A NZ PHE 894.A O no hydrogen 3.159 N/A MET 881.A N ALA 877.A O no hydrogen 2.931 N/A SER 882.A N ALA 878.A O no hydrogen 3.062 N/A GLU 883.A N THR 879.A O no hydrogen 2.972 N/A CYS 884.A N LYS 880.A O no hydrogen 2.822 N/A CYS 884.A SG LYS 880.A O no hydrogen 3.172 N/A VAL 885.A N MET 881.A O no hydrogen 3.381 N/A LEU 886.A N MET 881.A O no hydrogen 3.355 N/A GLN 888.A NE2 ARG 761.A O no hydrogen 3.143 N/A GLN 888.A NE2 HIS 900.A O no hydrogen 2.924 N/A SER 889.A N HIS 900.A ND1 no hydrogen 3.283 N/A LYS 890.A NZ GLY 764.A O no hydrogen 2.651 N/A ARG 891.A NH1 GLU 883.A OE2 no hydrogen 2.875 N/A PHE 894.A N ARG 891.A O no hydrogen 3.321 N/A TYR 899.A N TYR 919.A O no hydrogen 3.217 N/A LEU 901.A N VAL 917.A O no hydrogen 2.799 N/A MET 902.A N VAL 917.A O no hydrogen 3.091 N/A SER 903.A OG HIS 900.A NE2 no hydrogen 3.357 N/A SER 903.A OG HIS 916.A ND1 no hydrogen 2.480 N/A PHE 904.A N LEU 915.A O no hydrogen 2.898 N/A GLN 906.A N VAL 913.A O no hydrogen 2.868 N/A GLN 906.A NE2 ILE 688.A O no hydrogen 3.563 N/A GLN 906.A NE2 PRO 905.A O no hydrogen 3.023 N/A SER 907.A N GLU 702.A OE2 no hydrogen 3.219 N/A SER 907.A OG GLU 702.A OE2 no hydrogen 3.000 N/A ALA 908.A N GLY 911.A O no hydrogen 3.262 N/A VAL 912.A N LEU 610.A O no hydrogen 2.969 N/A VAL 913.A N GLN 906.A O no hydrogen 2.918 N/A PHE 914.A N GLU 608.A O no hydrogen 2.850 N/A LEU 915.A N PHE 904.A O no hydrogen 2.895 N/A HIS 916.A N THR 606.A O no hydrogen 2.839 N/A HIS 916.A ND1 SER 903.A OG no hydrogen 2.480 N/A VAL 917.A N MET 902.A O no hydrogen 2.779 N/A THR 918.A N SER 604.A O no hydrogen 2.893 N/A THR 918.A OG1 LYS 897.A O no hydrogen 3.217 N/A TYR 919.A N TYR 899.A O no hydrogen 2.978 N/A VAL 920.A N THR 602.A O no hydrogen 2.945 N/A ALA 922.A N ASN 600.A O no hydrogen 2.882 N/A GLU 924.A N GLU 924.A OE2 no hydrogen 2.691 N/A LYS 925.A N ILE 597.A O no hydrogen 2.924 N/A PHE 927.A N ILE 595.A O no hydrogen 2.886 N/A THR 929.A N ASN 593.A O no hydrogen 2.970 N/A ILE 933.A N HIS 940.A O no hydrogen 2.966 N/A CYS 934.A N VAL 985.A O no hydrogen 2.783 N/A HIS 935.A N LYS 938.A O no hydrogen 2.973 N/A LYS 938.A N HIS 935.A O no hydrogen 2.959 N/A ALA 939.A N GLY 976.A O no hydrogen 3.389 N/A HIS 940.A N ILE 933.A O no hydrogen 2.848 N/A PHE 941.A N PHE 973.A O no hydrogen 2.901 N/A ARG 943.A N ASN 971.A O no hydrogen 2.857 N/A ARG 943.A NH1 ASP 970.A O no hydrogen 3.103 N/A VAL 946.A N THR 957.A O no hydrogen 2.905 N/A VAL 948.A N PHE 955.A O no hydrogen 2.911 N/A SER 949.A N THR 928.A O no hydrogen 2.908 N/A SER 949.A OG HIS 953.A O no hydrogen 3.376 N/A ASN 950.A N HIS 953.A O no hydrogen 3.233 N/A GLY 951.A N SER 949.A OG no hydrogen 3.060 N/A THR 952.A N ASN 950.A OD1 no hydrogen 3.004 N/A THR 952.A OG1 ASN 950.A OD1 no hydrogen 3.289 N/A HIS 953.A N ASN 950.A OD1 no hydrogen 3.179 N/A PHE 955.A N VAL 948.A O no hydrogen 2.864 N/A VAL 956.A N GLN 965.A O no hydrogen 3.003 N/A THR 957.A N VAL 946.A O no hydrogen 2.963 N/A THR 957.A OG1 GLN 958.A O no hydrogen 3.349 N/A THR 957.A OG1 PHE 961.A O no hydrogen 3.304 N/A TYR 962.A N PRO 598.A O no hydrogen 2.982 N/A GLU 963.A N THR 957.A OG1 no hydrogen 2.928 N/A GLN 965.A N VAL 956.A O no hydrogen 2.939 N/A THR 968.A N ASN 971.A OD1 no hydrogen 2.966 N/A THR 969.A N TYR 990.A O no hydrogen 3.270 N/A THR 969.A OG1 ASP 970.A OD1 no hydrogen 3.228 N/A THR 969.A OG1 ASP 991.A OD1 no hydrogen 3.445 N/A ASP 970.A N THR 968.A OG1 no hydrogen 2.886 N/A ASN 971.A ND2 ILE 966.A O no hydrogen 2.956 N/A THR 972.A OG1 THR 968.A O no hydrogen 2.951 N/A PHE 973.A N PHE 941.A O no hydrogen 2.912 N/A SER 975.A N ALA 939.A O no hydrogen 3.081 N/A CYS 978.A SG LYS 938.A O no hydrogen 3.404 N/A VAL 985.A N ALA 932.A O no hydrogen 3.358 N/A ASN 987.A N CYS 934.A O no hydrogen 3.373 N/A ASN 987.A ND2 THR 988.A O no hydrogen 3.582 N/A TYR 990.A N ILE 967.A O no hydrogen 3.087 N/A LEU 993.A N ASP 991.A OD1 no hydrogen 3.458 N/A GLU 996.A N PRO 992.A O no hydrogen 3.027 N/A LEU 997.A N LEU 993.A O no hydrogen 2.921 N/A