Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wec_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.782 N/A GLN 1.A N ARG 134.A O no hydrogen 3.208 N/A CYS 2.A SG ARG 134.A O no hydrogen 3.859 N/A CYS 2.A SG VAL 135.A O no hydrogen 3.526 N/A THR 6.A N ASP 117.A OD2 no hydrogen 3.278 N/A THR 6.A OG1 LEU 5.A O no hydrogen 2.473 N/A THR 9.A OG1 LYS 56.A O no hydrogen 3.074 N/A GLN 10.A N ARG 8.A O no hydrogen 2.806 N/A ALA 14.A N TRP 51.A O no hydrogen 3.017 N/A THR 16.A N VAL 49.A O no hydrogen 2.980 N/A SER 18.A N SER 47.A O no hydrogen 2.913 N/A TYR 24.A OH LEU 41.A O no hydrogen 2.460 N/A TYR 25.A N LEU 201.A O no hydrogen 3.128 N/A ARG 31.A NH2 ASP 27.A OD2 no hydrogen 3.144 N/A SER 33.A N ASN 248.A O no hydrogen 3.221 N/A SER 33.A OG SER 32.A O no hydrogen 2.610 N/A HIS 36.A N LEU 245.A O no hydrogen 2.951 N/A THR 38.A N PHE 243.A O no hydrogen 2.929 N/A ASP 40.A N ARG 241.A O no hydrogen 2.944 N/A PHE 42.A N GLN 239.A O no hydrogen 2.914 N/A PHE 46.A N PHE 19.A O no hydrogen 3.261 N/A SER 47.A OG PRO 44.A O no hydrogen 3.271 N/A VAL 49.A N THR 16.A O no hydrogen 2.871 N/A THR 50.A N VAL 235.A O no hydrogen 2.916 N/A TRP 51.A N ALA 14.A O no hydrogen 2.854 N/A PHE 52.A N TYR 233.A O no hydrogen 2.987 N/A VAL 54.A N ALA 231.A O no hydrogen 2.899 N/A ARG 57.A NH1 HIS 53.A O no hydrogen 3.220 N/A LEU 63.A N PHE 216.A O no hydrogen 2.832 N/A PHE 65.A N THR 214.A O no hydrogen 3.306 N/A VAL 69.A N PHE 170.A O no hydrogen 2.950 N/A TYR 70.A N GLY 236.A O no hydrogen 2.891 N/A TYR 70.A OH GLU 167.A OE1 no hydrogen 2.886 N/A PHE 71.A N PHE 168.A O no hydrogen 2.926 N/A ALA 72.A N TYR 234.A O no hydrogen 2.970 N/A SER 73.A N ARG 166.A O no hydrogen 2.878 N/A SER 73.A OG GLU 75.A OE1 no hydrogen 3.506 N/A ILE 74.A N ALA 232.A O no hydrogen 2.997 N/A GLU 75.A N ASN 164.A O no hydrogen 3.001 N/A ILE 80.A N GLU 75.A OE2 no hydrogen 2.284 N/A ARG 81.A N LEU 219.A O no hydrogen 2.934 N/A GLY 82.A N LEU 219.A O no hydrogen 3.344 N/A TRP 83.A N ILE 98.A O no hydrogen 2.923 N/A ILE 84.A N GLN 217.A O no hydrogen 3.134 N/A PHE 85.A N LEU 96.A O no hydrogen 2.924 N/A GLY 86.A N ARG 215.A O no hydrogen 3.003 N/A THR 88.A OG1 ASP 90.A OD1 no hydrogen 2.634 N/A THR 88.A OG1 THR 93.A OG1 no hydrogen 2.926 N/A SER 91.A OG ASP 90.A O no hydrogen 2.617 N/A THR 93.A OG1 THR 88.A OG1 no hydrogen 2.926 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 3.093 N/A SER 95.A N CYS 110.A O no hydrogen 2.890 N/A SER 95.A OG THR 93.A O no hydrogen 3.365 N/A LEU 96.A N PHE 85.A O no hydrogen 2.873 N/A LEU 97.A N LYS 108.A O no hydrogen 2.932 N/A ILE 98.A N TRP 83.A O no hydrogen 2.976 N/A VAL 99.A N VAL 106.A O no hydrogen 2.988 N/A ALA 102.A N ASN 101.A OD1 no hydrogen 2.627 N/A VAL 105.A N SER 148.A O no hydrogen 2.801 N/A VAL 106.A N VAL 99.A O no hydrogen 2.845 N/A ILE 107.A N TYR 146.A O no hydrogen 3.362 N/A LYS 108.A N LEU 97.A O no hydrogen 2.938 N/A LYS 108.A NZ GLU 145.A OE2 no hydrogen 2.691 N/A CYS 110.A N SER 95.A O no hydrogen 2.901 N/A CYS 115.A SG VAL 135.A O no hydrogen 3.088 N/A ASN 116.A ND2 ASN 4.A OD1 no hydrogen 3.485 N/A HIS 122.A ND1 SER 222.A O no hydrogen 2.935 N/A ASN 124.A N SER 222.A OG no hydrogen 3.035 N/A LYS 126.A N ASN 125.A OD1 no hydrogen 2.549 N/A SER 131.A N MET 129.A O no hydrogen 2.768 N/A SER 131.A OG GLU 132.A OE1 no hydrogen 2.540 N/A ARG 134.A NH1 SER 137.A O no hydrogen 2.902 N/A VAL 135.A N PHE 133.A O no hydrogen 2.754 N/A SER 137.A OG GLN 113.A O no hydrogen 3.551 N/A SER 137.A OG GLN 113.A OE1 no hydrogen 3.222 N/A THR 143.A N VAL 109.A O no hydrogen 2.997 N/A TYR 146.A N ILE 107.A O no hydrogen 3.319 N/A SER 148.A N VAL 105.A O no hydrogen 3.255 N/A LYS 158.A NZ ASN 161.A O no hydrogen 3.407 N/A LEU 165.A N THR 184.A O no hydrogen 2.951 N/A ARG 166.A N SER 73.A O no hydrogen 2.955 N/A ARG 166.A NH1 ASN 78.A OD1 no hydrogen 3.251 N/A ARG 166.A NH2 ASN 78.A OD1 no hydrogen 2.898 N/A GLU 167.A N LYS 182.A O no hydrogen 2.935 N/A PHE 168.A N PHE 71.A O no hydrogen 2.913 N/A VAL 169.A N TYR 180.A O no hydrogen 2.918 N/A PHE 170.A N VAL 69.A O no hydrogen 2.948 N/A LYS 171.A N LYS 178.A O no hydrogen 3.004 N/A LYS 171.A NZ TYR 24.A OH no hydrogen 3.141 N/A ILE 173.A N TYR 176.A O no hydrogen 2.936 N/A TYR 176.A N ILE 173.A O no hydrogen 2.916 N/A PHE 177.A N LEU 207.A O no hydrogen 2.878 N/A LYS 178.A N LYS 171.A O no hydrogen 2.830 N/A LYS 178.A NZ TYR 176.A O no hydrogen 3.103 N/A ILE 179.A N VAL 205.A O no hydrogen 2.913 N/A TYR 180.A N VAL 169.A O no hydrogen 3.006 N/A SER 181.A N GLU 202.A O no hydrogen 3.207 N/A LYS 182.A N GLU 167.A O no hydrogen 2.924 N/A THR 184.A N LEU 165.A O no hydrogen 2.880 N/A THR 184.A OG1 LEU 165.A O no hydrogen 3.094 N/A LEU 187.A N LYS 163.A O no hydrogen 3.265 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.739 N/A SER 199.A OG PHE 198.A O no hydrogen 2.680 N/A LEU 201.A N VAL 23.A O no hydrogen 2.936 N/A GLU 202.A N SER 181.A O no hydrogen 3.468 N/A LEU 204.A N ILE 179.A O no hydrogen 3.112 N/A VAL 205.A N ILE 179.A O no hydrogen 3.003 N/A LEU 207.A N PHE 177.A O no hydrogen 2.947 N/A ILE 209.A N LEU 207.A O no hydrogen 3.264 N/A THR 214.A N GLY 86.A O no hydrogen 2.869 N/A ARG 215.A N GLY 86.A O no hydrogen 2.738 N/A PHE 216.A N LEU 63.A O no hydrogen 3.035 N/A GLN 217.A N ILE 84.A O no hydrogen 3.154 N/A LEU 219.A N GLY 82.A O no hydrogen 3.049 N/A ALA 221.A N ILE 79.A O no hydrogen 2.543 N/A ALA 231.A N VAL 54.A O no hydrogen 2.908 N/A TYR 233.A N PHE 52.A O no hydrogen 2.953 N/A TYR 233.A OH ASP 59.A O no hydrogen 2.670 N/A TYR 234.A N ALA 72.A O no hydrogen 2.855 N/A TYR 234.A OH GLU 192.A O no hydrogen 2.801 N/A VAL 235.A N THR 50.A O no hydrogen 2.979 N/A GLY 236.A N TYR 70.A O no hydrogen 2.928 N/A GLN 239.A N PHE 42.A O no hydrogen 2.885 N/A ARG 241.A N ASP 40.A O no hydrogen 2.885 N/A ARG 241.A NH1 PRO 240.A O no hydrogen 3.455 N/A THR 242.A OG1 THR 38.A O no hydrogen 3.009 N/A PHE 243.A N THR 38.A O no hydrogen 2.873 N/A LEU 244.A N VAL 257.A O no hydrogen 2.954 N/A LEU 245.A N HIS 36.A O no hydrogen 2.880 N/A LYS 246.A N ASP 255.A O no hydrogen 2.929 N/A TYR 247.A N VAL 34.A O no hydrogen 3.236 N/A ASN 248.A N THR 252.A O no hydrogen 3.246 N/A GLY 251.A N ASN 248.A O no hydrogen 3.075 N/A GLY 251.A N ASN 248.A OD1 no hydrogen 3.241 N/A THR 252.A N ASN 248.A OD1 no hydrogen 2.888 N/A THR 252.A OG1 TYR 25.A OH no hydrogen 3.061 N/A THR 254.A N LYS 246.A O no hydrogen 3.163 N/A ALA 256.A N ASP 255.A OD1 no hydrogen 3.027 N/A VAL 257.A N LEU 244.A O no hydrogen 2.914 N/A CYS 259.A N THR 242.A O no hydrogen 3.192 N/A ALA 260.A N ASP 258.A OD1 no hydrogen 3.277 N/A ASP 262.A N SER 265.A OG no hydrogen 2.860 N/A SER 265.A OG ASP 262.A O no hydrogen 2.704 N/A GLU 266.A N ASP 262.A O no hydrogen 2.816 N/A THR 267.A N PRO 263.A O no hydrogen 2.924 N/A LYS 268.A N LEU 264.A O no hydrogen 2.927 N/A CYS 269.A N SER 265.A O no hydrogen 2.904 N/A THR 270.A N GLU 266.A O no hydrogen 2.923 N/A LEU 271.A N THR 267.A O no hydrogen 2.948 N/A LYS 272.A N LYS 268.A O no hydrogen 2.993 N/A LYS 272.A NZ CYS 269.A O no hydrogen 3.152 N/A SER 273.A OG THR 275.A O no hydrogen 2.958 N/A VAL 276.A N THR 570.A OG1 no hydrogen 2.932 N/A GLU 277.A N TYR 281.A OH no hydrogen 3.252 N/A GLY 279.A N THR 567.A O no hydrogen 3.142 N/A TYR 281.A N VAL 565.A O no hydrogen 3.355 N/A TYR 281.A OH GLU 277.A O no hydrogen 2.351 N/A THR 283.A N VAL 563.A O no hydrogen 3.034 N/A THR 283.A OG1 VAL 563.A O no hydrogen 3.182 N/A GLN 289.A N GLN 596.A O no hydrogen 2.818 N/A THR 291.A N CYS 506.A O no hydrogen 2.833 N/A THR 291.A OG1 CYS 506.A O no hydrogen 3.364 N/A ILE 294.A N ASN 508.A O no hydrogen 3.300 N/A VAL 295.A N THR 499.A OG1 no hydrogen 3.223 N/A ARG 296.A N ASN 510.A O no hydrogen 3.045 N/A ARG 296.A NE ASP 546.A OD1 no hydrogen 2.795 N/A CYS 304.A N VAL 330.A O no hydrogen 2.948 N/A PHE 306.A N CYS 304.A O no hydrogen 2.672 N/A ASN 311.A N ASP 307.A O no hydrogen 2.829 N/A ASN 311.A ND2 ASP 307.A OD2 no hydrogen 2.445 N/A ARG 314.A NE THR 313.A O no hydrogen 3.359 N/A ARG 323.A NE ASP 366.A OD1 no hydrogen 2.986 N/A ARG 323.A NH2 ASP 366.A OD1 no hydrogen 3.168 N/A ARG 323.A NH2 ASP 366.A OD2 no hydrogen 2.986 N/A LYS 324.A N ALA 365.A O no hydrogen 3.198 N/A ILE 326.A N VAL 363.A O no hydrogen 2.854 N/A CYS 329.A SG SER 327.A O no hydrogen 3.892 N/A VAL 330.A N ASN 302.A O no hydrogen 3.186 N/A ALA 331.A N CYS 493.A O no hydrogen 3.183 N/A TYR 333.A N ASN 356.A OD1 no hydrogen 3.176 N/A SER 334.A N ASP 332.A OD1 no hydrogen 3.159 N/A SER 334.A OG ASP 332.A OD1 no hydrogen 3.037 N/A TYR 337.A N TYR 333.A O no hydrogen 3.044 N/A PHE 343.A N ALA 403.A O no hydrogen 3.396 N/A THR 344.A N ALA 403.A O no hydrogen 3.172 N/A LYS 346.A NZ TYR 348.A OH no hydrogen 2.315 N/A TYR 348.A N GLY 399.A O no hydrogen 3.457 N/A LYS 354.A N SER 351.A O no hydrogen 2.936 N/A PHE 360.A N VAL 492.A O no hydrogen 2.976 N/A THR 361.A OG1 ASN 362.A OD1 no hydrogen 2.580 N/A VAL 363.A N ILE 326.A O no hydrogen 3.435 N/A TYR 364.A N SER 482.A O no hydrogen 3.439 N/A ALA 365.A N LYS 324.A O no hydrogen 3.212 N/A ASP 366.A N VAL 480.A O no hydrogen 3.036 N/A PHE 368.A N VAL 478.A O no hydrogen 3.251 N/A ILE 370.A N TYR 476.A O no hydrogen 3.278 N/A GLY 372.A N GLN 474.A O no hydrogen 3.312 N/A GLU 374.A N ARG 371.A O no hydrogen 3.030 N/A GLN 377.A N GLU 374.A O no hydrogen 3.157 N/A ILE 378.A N VAL 375.A O no hydrogen 3.308 N/A GLN 382.A N ALA 379.A O no hydrogen 3.408 N/A GLY 384.A N ASP 388.A OD2 no hydrogen 3.360 N/A TYR 391.A N ILE 386.A O no hydrogen 3.089 N/A CYS 400.A N LEU 481.A O no hydrogen 2.894 N/A ILE 402.A N VAL 479.A O no hydrogen 2.797 N/A ALA 403.A N THR 344.A O no hydrogen 3.125 N/A TRP 404.A N ARG 477.A O no hydrogen 3.156 N/A ASN 405.A ND2 GLN 474.A OE1 no hydrogen 2.591 N/A SER 406.A N PRO 475.A O no hydrogen 3.435 N/A SER 406.A OG SER 406.A O no hydrogen 2.432 N/A SER 411.A OG PHE 465.A O no hydrogen 3.398 N/A LYS 412.A NZ GLY 415.A O no hydrogen 3.491 N/A GLY 415.A N LYS 412.A O no hydrogen 3.366 N/A ASN 416.A ND2 ASP 410.A O no hydrogen 3.439 N/A TYR 419.A OH ASP 410.A OD1 no hydrogen 3.214 N/A LEU 420.A N SER 317.A OG no hydrogen 2.968 N/A TYR 421.A N ARG 461.A O no hydrogen 2.960 N/A ARG 422.A NH2 SER 437.A O no hydrogen 2.188 N/A LEU 423.A N PRO 459.A O no hydrogen 3.394 N/A ARG 425.A NH1 SER 427.A O no hydrogen 2.739 N/A PHE 432.A N LYS 392.A O no hydrogen 3.419 N/A ARG 434.A NE ARG 434.A O no hydrogen 3.217 N/A THR 438.A OG1 THR 438.A O no hydrogen 2.615 N/A ILE 440.A N GLU 439.A OE1 no hydrogen 3.301 N/A ALA 443.A N ASN 455.A O no hydrogen 2.492 N/A GLY 444.A N ASN 455.A O no hydrogen 3.067 N/A GLY 453.A N CYS 456.A O no hydrogen 3.442 N/A CYS 456.A SG PHE 454.A O no hydrogen 3.646 N/A TYR 457.A N TYR 441.A O no hydrogen 3.187 N/A ARG 461.A N TYR 421.A O no hydrogen 2.889 N/A SER 462.A OG TYR 417.A O no hydrogen 3.112 N/A SER 462.A OG TYR 419.A O no hydrogen 3.304 N/A SER 462.A OG TYR 463.A O no hydrogen 3.477 N/A TYR 463.A N TYR 419.A O no hydrogen 2.919 N/A SER 464.A OG TYR 417.A OH no hydrogen 2.920 N/A ARG 466.A NH2 VAL 413.A O no hydrogen 2.357 N/A TYR 469.A N ARG 466.A O no hydrogen 3.178 N/A HIS 473.A N GLY 470.A O no hydrogen 3.396 N/A TYR 476.A N ILE 370.A O no hydrogen 2.908 N/A VAL 478.A N PHE 368.A O no hydrogen 3.042 N/A VAL 479.A N ILE 402.A O no hydrogen 2.895 N/A VAL 480.A N ASP 366.A O no hydrogen 2.985 N/A LEU 481.A N CYS 400.A O no hydrogen 2.904 N/A SER 482.A OG TYR 364.A O no hydrogen 3.461 N/A THR 491.A OG1 THR 361.A O no hydrogen 3.290 N/A CYS 493.A SG VAL 492.A O no hydrogen 3.446 N/A LYS 496.A N GLY 494.A O no hydrogen 3.047 N/A SER 498.A OG GLN 548.A OE1 no hydrogen 2.720 N/A THR 499.A N VAL 295.A O no hydrogen 2.718 N/A THR 499.A OG1 VAL 295.A O no hydrogen 3.251 N/A LYS 503.A NZ GLU 522.A OE1 no hydrogen 2.869 N/A ASN 504.A N LEU 520.A O no hydrogen 2.911 N/A LYS 505.A NZ THR 291.A OG1 no hydrogen 2.355 N/A CYS 506.A SG VAL 288.A O no hydrogen 4.022 N/A VAL 507.A N GLY 518.A O no hydrogen 3.136 N/A GLY 513.A N ASN 510.A OD1 no hydrogen 3.153 N/A LEU 514.A N PHE 511.A O no hydrogen 3.041 N/A THR 517.A OG1 ASN 508.A OD1 no hydrogen 3.097 N/A THR 517.A OG1 GLY 516.A O no hydrogen 2.721 N/A GLY 518.A N VAL 507.A O no hydrogen 3.362 N/A VAL 519.A N THR 556.A O no hydrogen 3.014 N/A THR 521.A N ASP 554.A O no hydrogen 3.312 N/A THR 521.A OG1 ASP 554.A O no hydrogen 3.371 N/A SER 523.A OG ASP 554.A OD2 no hydrogen 3.077 N/A LYS 526.A NZ ASN 524.A O no hydrogen 3.174 N/A LEU 528.A N GLN 531.A OE1 no hydrogen 3.090 N/A GLN 531.A N LEU 528.A O no hydrogen 2.949 N/A GLY 534.A N ALA 543.A O no hydrogen 2.798 N/A ASP 539.A N ASP 536.A O no hydrogen 2.841 N/A THR 540.A N ASP 536.A OD1 no hydrogen 2.968 N/A ASP 542.A N GLY 534.A O no hydrogen 3.430 N/A VAL 544.A N LEU 553.A O no hydrogen 3.339 N/A ASP 546.A N GLU 551.A O no hydrogen 3.233 N/A GLU 551.A N GLU 551.A OE1 no hydrogen 2.928 N/A LEU 553.A N VAL 544.A O no hydrogen 2.963 N/A ASP 554.A N THR 521.A O no hydrogen 3.278 N/A ILE 555.A N ASP 542.A O no hydrogen 3.219 N/A THR 556.A N VAL 519.A O no hydrogen 3.384 N/A CYS 558.A SG VAL 288.A O no hydrogen 3.749 N/A SER 564.A N LEU 579.A O no hydrogen 3.066 N/A VAL 565.A N TYR 281.A O no hydrogen 3.094 N/A ILE 566.A N ALA 577.A O no hydrogen 2.695 N/A THR 567.A N GLY 279.A O no hydrogen 3.316 N/A THR 567.A OG1 PRO 568.A O no hydrogen 2.545 N/A THR 570.A N VAL 276.A O no hydrogen 3.312 N/A THR 570.A OG1 VAL 276.A O no hydrogen 3.418 N/A SER 573.A OG TYR 642.A OH no hydrogen 2.622 N/A VAL 578.A N ILE 619.A O no hydrogen 3.224 N/A LEU 579.A N SER 564.A O no hydrogen 2.657 N/A GLN 581.A N GLY 562.A O no hydrogen 3.172 N/A GLY 582.A N ALA 615.A O no hydrogen 2.793 N/A THR 586.A N ASN 584.A OD1 no hydrogen 3.402 N/A THR 586.A OG1 ASN 584.A OD1 no hydrogen 3.361 N/A GLU 587.A N ASN 584.A O no hydrogen 3.102 N/A ILE 592.A N PRO 589.A O no hydrogen 3.240 N/A HIS 593.A ND1 ALA 594.A O no hydrogen 3.008 N/A THR 598.A OG1 GLN 289.A OE1 no hydrogen 3.290 N/A ARG 602.A NE THR 600.A O no hydrogen 3.143 N/A TYR 604.A N TRP 601.A O no hydrogen 3.220 N/A SER 605.A N ARG 602.A O no hydrogen 3.135 N/A PHE 611.A N LEU 618.A O no hydrogen 3.069 N/A GLN 612.A NE2 THR 613.A O no hydrogen 2.399 N/A THR 613.A N GLY 616.A O no hydrogen 3.257 N/A THR 613.A OG1 GLY 616.A O no hydrogen 2.347 N/A GLY 616.A N THR 613.A O no hydrogen 3.317 N/A ILE 619.A N VAL 578.A O no hydrogen 3.102 N/A GLU 622.A N ILE 648.A O no hydrogen 3.426 N/A VAL 624.A N ALA 650.A O no hydrogen 3.298 N/A ILE 632.A N ALA 640.A O no hydrogen 2.987 N/A ILE 634.A N ILE 638.A O no hydrogen 2.932 N/A GLY 635.A N ILE 638.A O no hydrogen 3.371 N/A CYS 639.A N TYR 651.A O no hydrogen 3.196 N/A ALA 640.A N ILE 632.A O no hydrogen 3.003 N/A SER 641.A N ILE 649.A O no hydrogen 3.001 N/A SER 641.A OG ASP 631.A OD2 no hydrogen 2.785 N/A GLN 643.A N SER 647.A O no hydrogen 3.366 N/A SER 647.A N GLN 643.A O no hydrogen 3.362 N/A SER 647.A OG GLU 622.A OE2 no hydrogen 3.248 N/A ILE 649.A N SER 641.A O no hydrogen 3.087 N/A ALA 650.A N GLU 622.A O no hydrogen 2.764 N/A TYR 651.A N CYS 639.A O no hydrogen 3.026 N/A TYR 651.A OH GLU 629.A O no hydrogen 2.178 N/A SER 654.A OG TYR 628.A O no hydrogen 2.796 N/A SER 664.A OG ASN 666.A OD1 no hydrogen 3.197 N/A SER 667.A OG PHE 1011.A O no hydrogen 3.027 N/A ILE 668.A N PHE 1011.A O no hydrogen 2.889 N/A ILE 670.A N LYS 1009.A O no hydrogen 3.209 N/A THR 672.A N GLN 1007.A O no hydrogen 3.017 N/A PHE 674.A N ASN 673.A OD1 no hydrogen 2.543 N/A THR 675.A N VAL 1004.A O no hydrogen 2.800 N/A SER 677.A N THR 1002.A O no hydrogen 3.346 N/A SER 677.A OG THR 1002.A OG1 no hydrogen 3.345 N/A THR 679.A N HIS 1000.A O no hydrogen 2.906 N/A LEU 683.A N VAL 996.A O no hydrogen 3.094 N/A VAL 685.A N HIS 994.A O no hydrogen 3.267 N/A MET 687.A N GLN 730.A OE1 no hydrogen 2.831 N/A LYS 689.A NZ ASP 731.A OD1 no hydrogen 2.589 N/A LYS 689.A NZ ASP 731.A OD2 no hydrogen 3.197 N/A THR 690.A OG1 THR 795.A O no hydrogen 3.156 N/A SER 691.A N THR 795.A O no hydrogen 3.202 N/A SER 691.A OG THR 690.A O no hydrogen 2.839 N/A ASP 693.A N GLY 793.A O no hydrogen 3.194 N/A TYR 697.A N ASP 693.A O no hydrogen 3.124 N/A TYR 697.A OH LEU 898.A O no hydrogen 2.887 N/A SER 702.A N CYS 699.A O no hydrogen 3.353 N/A SER 702.A OG GLU 704.A OE1 no hydrogen 3.300 N/A GLU 704.A N GLU 704.A OE1 no hydrogen 2.712 N/A SER 706.A OG THR 703.A O no hydrogen 3.477 N/A LEU 709.A N CYS 705.A O no hydrogen 3.073 N/A LEU 710.A N ASN 707.A O no hydrogen 3.171 N/A GLN 711.A N LEU 708.A O no hydrogen 3.217 N/A TYR 712.A N LEU 709.A O no hydrogen 3.249 N/A GLY 713.A N LEU 710.A O no hydrogen 3.343 N/A SER 714.A OG SER 714.A O no hydrogen 2.403 N/A GLN 718.A N PHE 715.A O no hydrogen 3.286 N/A LEU 719.A N PHE 715.A O no hydrogen 3.347 N/A LYS 720.A N CYS 716.A O no hydrogen 3.143 N/A ARG 721.A N THR 717.A O no hydrogen 3.272 N/A ALA 722.A N GLN 718.A O no hydrogen 2.936 N/A LEU 723.A N LEU 719.A O no hydrogen 2.989 N/A THR 724.A N LYS 720.A O no hydrogen 3.238 N/A THR 724.A OG1 LYS 720.A O no hydrogen 2.489 N/A GLY 725.A N ARG 721.A O no hydrogen 3.375 N/A ILE 726.A N ALA 722.A O no hydrogen 3.307 N/A ALA 727.A N LEU 723.A O no hydrogen 3.038 N/A VAL 728.A N THR 724.A O no hydrogen 3.061 N/A GLU 729.A N GLY 725.A O no hydrogen 3.214 N/A GLN 730.A N ILE 726.A O no hydrogen 3.105 N/A ASP 731.A N VAL 728.A O no hydrogen 3.262 N/A LYS 732.A N GLU 729.A O no hydrogen 2.856 N/A LYS 732.A NZ GLU 736.A OE2 no hydrogen 2.349 N/A ASN 733.A N GLU 729.A O no hydrogen 3.228 N/A ASN 733.A ND2 VAL 685.A O no hydrogen 3.578 N/A GLN 735.A N ASP 731.A O no hydrogen 3.254 N/A GLU 736.A N LYS 732.A O no hydrogen 3.102 N/A GLN 740.A NE2 ALA 962.A O no hydrogen 3.228 N/A THR 747.A OG1 PRO 748.A O no hydrogen 3.550 N/A LYS 751.A NZ PRO 748.A O no hydrogen 3.020 N/A LYS 751.A NZ PRO 749.A O no hydrogen 3.009 N/A ASN 757.A N ASN 864.A OD1 no hydrogen 2.871 N/A SER 759.A N ASN 757.A OD1 no hydrogen 3.208 N/A SER 759.A OG ASN 757.A OD1 no hydrogen 3.515 N/A ILE 761.A N PHE 758.A O no hydrogen 3.193 N/A LEU 762.A N PHE 758.A O no hydrogen 3.094 N/A SER 766.A OG ASP 764.A OD2 no hydrogen 3.473 N/A SER 769.A OG GLU 804.A OE1 no hydrogen 2.664 N/A SER 769.A OG GLU 804.A OE2 no hydrogen 3.151 N/A LYS 770.A N GLU 804.A OE2 no hydrogen 3.155 N/A LYS 770.A NZ PRO 768.A O no hydrogen 3.132 N/A ARG 771.A NH2 ASP 776.A OD1 no hydrogen 3.148 N/A SER 772.A OG ILE 761.A O no hydrogen 2.326 N/A SER 772.A OG LEU 762.A O no hydrogen 2.924 N/A ILE 774.A N GLN 760.A O no hydrogen 3.445 N/A ASP 776.A N PHE 773.A O no hydrogen 3.256 N/A LEU 778.A N ILE 774.A O no hydrogen 3.235 N/A PHE 779.A N GLU 775.A O no hydrogen 3.043 N/A ASN 780.A N ASP 776.A O no hydrogen 3.172 N/A LYS 781.A N LEU 778.A O no hydrogen 3.480 N/A ALA 788.A N LEU 785.A O no hydrogen 2.979 N/A GLN 789.A N ILE 786.A O no hydrogen 2.837 N/A THR 795.A N SER 691.A O no hydrogen 3.207 N/A MET 805.A N THR 802.A O no hydrogen 3.251 N/A ILE 806.A N THR 802.A O no hydrogen 3.228 N/A ALA 807.A N ASP 803.A O no hydrogen 3.188 N/A GLN 808.A N MET 805.A O no hydrogen 3.304 N/A TYR 809.A N MET 805.A O no hydrogen 3.428 N/A THR 810.A N ILE 806.A O no hydrogen 3.160 N/A THR 810.A OG1 ILE 806.A O no hydrogen 3.456 N/A SER 811.A N ALA 807.A O no hydrogen 3.359 N/A ALA 812.A N GLN 808.A O no hydrogen 3.196 N/A LEU 813.A N TYR 809.A O no hydrogen 3.146 N/A LEU 814.A N THR 810.A O no hydrogen 3.154 N/A THR 819.A OG1 ALA 815.A O no hydrogen 3.327 N/A SER 820.A OG GLY 816.A O no hydrogen 2.213 N/A THR 823.A N SER 820.A O no hydrogen 3.385 N/A THR 823.A OG1 SER 820.A O no hydrogen 2.875 N/A THR 823.A OG1 LEU 830.A O no hydrogen 3.557 N/A LEU 830.A N THR 823.A OG1 no hydrogen 3.223 N/A GLN 831.A N GLN 831.A OE1 no hydrogen 2.892 N/A ILE 832.A N THR 819.A O no hydrogen 2.882 N/A MET 836.A N PRO 833.A O no hydrogen 2.990 N/A GLN 837.A N PRO 833.A O no hydrogen 2.741 N/A GLN 837.A NE2 THR 817.A O no hydrogen 3.549 N/A MET 838.A N PHE 834.A O no hydrogen 3.022 N/A ALA 839.A N MET 836.A O no hydrogen 3.276 N/A TYR 840.A N GLN 837.A O no hydrogen 2.859 N/A PHE 842.A N MET 838.A O no hydrogen 3.202 N/A ASN 843.A N ALA 839.A O no hydrogen 3.318 N/A GLY 844.A N TYR 840.A O no hydrogen 3.213 N/A GLY 844.A N ARG 841.A O no hydrogen 3.339 N/A ILE 845.A N PHE 842.A O no hydrogen 3.153 N/A THR 848.A OG1 ASN 850.A OD1 no hydrogen 2.768 N/A ASN 850.A ND2 GLU 1047.A OE2 no hydrogen 3.409 N/A VAL 851.A N THR 848.A O no hydrogen 3.478 N/A LEU 852.A N GLN 849.A O no hydrogen 3.361 N/A ASN 855.A N LEU 852.A O no hydrogen 3.153 N/A GLN 856.A N TYR 853.A O no hydrogen 3.385 N/A ILE 859.A N ASN 855.A O no hydrogen 3.034 N/A ALA 860.A N GLN 856.A O no hydrogen 3.009 N/A ASN 861.A N LYS 857.A O no hydrogen 3.205 N/A GLN 862.A N LEU 858.A O no hydrogen 2.975 N/A PHE 863.A N ILE 859.A O no hydrogen 2.890 N/A ASN 864.A N ALA 860.A O no hydrogen 2.855 N/A ASN 864.A ND2 GLY 755.A O no hydrogen 3.243 N/A SER 865.A N ASN 861.A O no hydrogen 2.945 N/A ALA 866.A N GLN 862.A O no hydrogen 3.414 N/A ILE 867.A N PHE 863.A O no hydrogen 3.249 N/A GLY 868.A N ASN 864.A O no hydrogen 3.359 N/A LYS 869.A N SER 865.A O no hydrogen 3.165 N/A ILE 870.A N ALA 866.A O no hydrogen 3.363 N/A GLN 871.A N GLY 868.A O no hydrogen 3.307 N/A SER 873.A N LYS 869.A O no hydrogen 3.189 N/A LEU 874.A N ILE 870.A O no hydrogen 3.039 N/A SER 875.A OG ASP 872.A O no hydrogen 3.438 N/A SER 876.A N SER 873.A O no hydrogen 3.231 N/A SER 876.A OG ASP 872.A O no hydrogen 2.477 N/A LYS 883.A NZ ILE 682.A O no hydrogen 3.567 N/A GLN 885.A N GLY 882.A O no hydrogen 3.056 N/A ASP 886.A N GLY 882.A O no hydrogen 3.294 N/A VAL 888.A N GLN 885.A O no hydrogen 3.039 N/A ASN 889.A N GLN 885.A O no hydrogen 2.971 N/A HIS 890.A N ASP 886.A O no hydrogen 2.933 N/A ALA 892.A N ASN 889.A O no hydrogen 3.071 N/A GLN 893.A N ASN 889.A O no hydrogen 2.663 N/A ALA 894.A N HIS 890.A O no hydrogen 3.356 N/A THR 897.A OG1 ALA 894.A O no hydrogen 3.106 N/A VAL 899.A N LEU 895.A O no hydrogen 3.124 N/A LYS 900.A N ASN 896.A O no hydrogen 2.857 N/A LEU 902.A N VAL 899.A O no hydrogen 3.434 N/A SER 903.A OG LYS 900.A O no hydrogen 3.429 N/A SER 904.A N GLN 901.A O no hydrogen 3.439 N/A SER 904.A OG GLN 901.A O no hydrogen 3.570 N/A ALA 908.A N LYS 905.A O no hydrogen 2.997 N/A SER 911.A OG SER 904.A O no hydrogen 3.347 N/A GLU 924.A N ASP 921.A O no hydrogen 3.376 N/A ALA 925.A N ASP 921.A O no hydrogen 3.064 N/A VAL 927.A N GLU 924.A O no hydrogen 3.054 N/A ILE 929.A N ALA 925.A O no hydrogen 3.359 N/A LEU 932.A N ILE 929.A O no hydrogen 3.041 N/A ILE 933.A N ILE 929.A O no hydrogen 2.750 N/A THR 934.A N ASP 930.A O no hydrogen 3.065 N/A THR 934.A OG1 ASP 930.A O no hydrogen 2.725 N/A THR 934.A OG1 ARG 931.A O no hydrogen 3.564 N/A ARG 936.A N LEU 932.A O no hydrogen 3.458 N/A ARG 936.A NH1 ILE 698.A O no hydrogen 2.869 N/A LEU 937.A N THR 934.A O no hydrogen 3.269 N/A GLN 938.A N THR 934.A O no hydrogen 2.898 N/A SER 939.A N GLY 935.A O no hydrogen 3.003 N/A GLN 941.A N LEU 937.A O no hydrogen 3.157 N/A THR 942.A N GLN 938.A O no hydrogen 3.341 N/A THR 942.A OG1 GLN 938.A O no hydrogen 2.824 N/A VAL 944.A N LEU 940.A O no hydrogen 3.378 N/A THR 945.A N GLN 941.A O no hydrogen 3.182 N/A THR 945.A OG1 GLN 941.A O no hydrogen 3.083 N/A GLN 946.A N THR 942.A O no hydrogen 3.160 N/A GLN 947.A N TYR 943.A O no hydrogen 3.245 N/A LEU 948.A N VAL 944.A O no hydrogen 3.054 N/A ILE 949.A N THR 945.A O no hydrogen 3.236 N/A ARG 950.A N GLN 946.A O no hydrogen 2.971 N/A ALA 951.A N GLN 947.A O no hydrogen 2.835 N/A ALA 952.A N ILE 949.A O no hydrogen 3.210 N/A GLU 953.A N ARG 950.A O no hydrogen 2.994 N/A ILE 954.A N ARG 950.A O no hydrogen 3.134 N/A ARG 955.A N ALA 951.A O no hydrogen 3.159 N/A ARG 955.A NH1 ASN 733.A OD1 no hydrogen 2.597 N/A ARG 955.A NH1 GLU 736.A OE1 no hydrogen 3.487 N/A SER 957.A N ILE 954.A O no hydrogen 2.928 N/A SER 957.A OG PRO 684.A O no hydrogen 2.972 N/A ALA 958.A N ILE 954.A O no hydrogen 2.823 N/A ALA 961.A N SER 957.A O no hydrogen 3.111 N/A THR 963.A OG1 ASN 959.A O no hydrogen 2.903 N/A LYS 964.A N LEU 960.A O no hydrogen 2.967 N/A LYS 964.A NZ GLU 681.A OE2 no hydrogen 2.734 N/A MET 965.A N ALA 961.A O no hydrogen 3.170 N/A SER 966.A OG ALA 962.A O no hydrogen 2.851 N/A GLU 967.A N THR 963.A O no hydrogen 3.037 N/A CYS 968.A N LYS 964.A O no hydrogen 2.955 N/A LEU 970.A N MET 965.A O no hydrogen 3.350 N/A GLN 972.A NE2 ARG 841.A O no hydrogen 3.347 N/A GLN 972.A NE2 HIS 984.A O no hydrogen 2.939 N/A SER 973.A N HIS 984.A ND1 no hydrogen 3.515 N/A LYS 974.A NZ GLN 972.A O no hydrogen 2.925 N/A TYR 983.A N TYR 1003.A O no hydrogen 3.217 N/A HIS 984.A NE2 SER 987.A OG no hydrogen 3.252 N/A LEU 985.A N VAL 1001.A O no hydrogen 2.937 N/A SER 987.A OG HIS 984.A NE2 no hydrogen 3.252 N/A SER 987.A OG MET 986.A O no hydrogen 2.736 N/A SER 987.A OG HIS 1000.A ND1 no hydrogen 2.601 N/A GLN 990.A N VAL 997.A O no hydrogen 2.694 N/A GLN 990.A NE2 PRO 989.A O no hydrogen 2.350 N/A SER 991.A OG GLU 775.A OE1 no hydrogen 2.494 N/A GLY 995.A N ALA 992.A O no hydrogen 3.278 N/A VAL 996.A N LEU 683.A O no hydrogen 3.027 N/A VAL 997.A N GLN 990.A O no hydrogen 2.842 N/A PHE 998.A N GLU 681.A O no hydrogen 2.945 N/A HIS 1000.A N THR 679.A O no hydrogen 2.895 N/A HIS 1000.A ND1 SER 987.A OG no hydrogen 2.601 N/A HIS 1000.A NE2 GLU 681.A OE1 no hydrogen 2.549 N/A VAL 1001.A N MET 986.A O no hydrogen 3.178 N/A THR 1002.A N SER 677.A O no hydrogen 3.105 N/A THR 1002.A OG1 SER 677.A OG no hydrogen 3.345 N/A TYR 1003.A N TYR 983.A O no hydrogen 2.817 N/A VAL 1004.A N THR 675.A O no hydrogen 3.015 N/A ALA 1006.A N ASN 673.A O no hydrogen 2.666 N/A GLN 1007.A N GLN 1007.A OE1 no hydrogen 3.165 N/A LYS 1009.A N ILE 670.A O no hydrogen 3.287 N/A THR 1013.A N ASN 666.A O no hydrogen 3.375 N/A THR 1013.A OG1 PHE 1031.A O no hydrogen 2.713 N/A ILE 1017.A N HIS 1024.A O no hydrogen 3.034 N/A CYS 1018.A N VAL 1069.A O no hydrogen 3.267 N/A ALA 1023.A N GLY 1060.A O no hydrogen 3.222 N/A HIS 1024.A ND1 THR 1056.A OG1 no hydrogen 3.093 N/A PHE 1025.A N PHE 1057.A O no hydrogen 3.013 N/A ARG 1027.A N ASN 1055.A O no hydrogen 3.346 N/A VAL 1030.A N THR 1041.A O no hydrogen 3.021 N/A VAL 1032.A N PHE 1039.A O no hydrogen 2.729 N/A SER 1033.A N THR 1012.A O no hydrogen 3.147 N/A PHE 1039.A N VAL 1032.A O no hydrogen 2.621 N/A VAL 1040.A N GLN 1049.A O no hydrogen 3.293 N/A THR 1041.A N VAL 1030.A O no hydrogen 3.274 N/A THR 1041.A OG1 GLN 1042.A O no hydrogen 3.517 N/A THR 1041.A OG1 PHE 1045.A O no hydrogen 3.420 N/A GLN 1042.A NE2 THR 848.A OG1 no hydrogen 3.273 N/A ARG 1043.A NH2 GLY 1029.A O no hydrogen 3.518 N/A GLU 1047.A N THR 1041.A OG1 no hydrogen 2.911 N/A GLN 1049.A N VAL 1040.A O no hydrogen 3.096 N/A THR 1052.A OG1 ILE 1050.A O no hydrogen 3.173 N/A THR 1053.A N TYR 1074.A O no hydrogen 3.236 N/A ASN 1055.A N THR 1052.A O no hydrogen 2.701 N/A THR 1056.A OG1 HIS 1024.A ND1 no hydrogen 3.093 N/A PHE 1057.A N PHE 1025.A O no hydrogen 3.119 N/A CYS 1062.A N ASN 1061.A OD1 no hydrogen 2.390 N/A CYS 1062.A SG ASN 1061.A OD1 no hydrogen 4.014 N/A LEU 1077.A N ASP 1075.A OD1 no hydrogen 2.910 N/A LEU 1081.A N LEU 1077.A O no hydrogen 3.157 N/A LEU 1081.A N GLN 1078.A O no hydrogen 2.675 N/A ASP 1082.A N GLN 1078.A O no hydrogen 2.139 N/A SER 1083.A N PRO 1079.A O no hydrogen 2.879 N/A SER 1083.A OG PRO 1079.A O no hydrogen 2.795 N/A LYS 1085.A N LEU 1081.A O no hydrogen 2.156 N/A GLU 1086.A N ASP 1082.A O no hydrogen 2.505 N/A GLU 1087.A N PHE 1084.A O no hydrogen 2.864 N/A LEU 1088.A N PHE 1084.A O no hydrogen 2.166 N/A TYR 1091.A N GLU 1087.A O no hydrogen 2.726 N/A TYR 1091.A OH GLU 1087.A OE2 no hydrogen 2.993 N/A PHE 1092.A N LEU 1088.A O no hydrogen 2.900 N/A LYS 1093.A N ASP 1089.A O no hydrogen 2.675 N/A LYS 1093.A NZ ASP 1089.A OD2 no hydrogen 2.784 N/A ASN 1094.A N LYS 1090.A O no hydrogen 2.506 N/A HIS 1095.A N PHE 1092.A O no hydrogen 3.046 N/A THR 1096.A N PHE 1092.A O no hydrogen 2.610 N/A THR 1096.A OG1 PHE 1092.A O no hydrogen 2.657 N/A SER 1097.A OG LYS 1093.A O no hydrogen 3.393 N/A