Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7dx1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 2.900 N/A THR 7.A OG1 GLY 157.A O no hydrogen 2.948 N/A ARG 8.A NH1 GLU 129.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 2.466 N/A TYR 12.A N LEU 161.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 202.A O no hydrogen 3.096 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 199.A O no hydrogen 2.915 N/A SER 24.A OG PHE 197.A O no hydrogen 3.441 N/A THR 25.A N PHE 197.A O no hydrogen 2.974 N/A ASP 27.A N ARG 195.A O no hydrogen 2.982 N/A PHE 29.A N GLN 193.A O no hydrogen 2.871 N/A PHE 32.A N ASP 212.A OD2 no hydrogen 3.364 N/A PHE 33.A N PHE 6.A O no hydrogen 3.313 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 2.244 N/A VAL 36.A N THR 3.A O no hydrogen 2.940 N/A TRP 38.A N ALA 1.A O no hydrogen 2.930 N/A PHE 39.A N TYR 187.A O no hydrogen 2.894 N/A ASN 42.A ND2 HIS 40.A O no hydrogen 3.213 N/A LEU 45.A N PHE 176.A O no hydrogen 2.975 N/A PHE 47.A N THR 174.A O no hydrogen 3.257 N/A ASP 49.A N PHE 47.A O no hydrogen 2.563 N/A VAL 51.A N PHE 132.A O no hydrogen 2.932 N/A TYR 52.A N GLY 190.A O no hydrogen 3.276 N/A TYR 52.A OH GLU 129.A OE2 no hydrogen 2.614 N/A PHE 53.A N PHE 130.A O no hydrogen 2.922 N/A SER 55.A OG ALA 54.A O no hydrogen 2.513 N/A GLU 57.A N ASN 126.A O no hydrogen 3.362 N/A SER 59.A OG GLU 57.A OE1 no hydrogen 3.128 N/A ARG 63.A N LEU 179.A O no hydrogen 2.946 N/A ARG 63.A NE ASN 60.A O no hydrogen 2.352 N/A ARG 63.A NH1 ASN 82.A O no hydrogen 3.325 N/A PHE 67.A N LEU 78.A O no hydrogen 3.388 N/A THR 69.A OG1 THR 70.A OG1 no hydrogen 3.406 N/A THR 70.A OG1 THR 69.A OG1 no hydrogen 3.406 N/A SER 73.A N ASP 72.A OD1 no hydrogen 2.613 N/A SER 73.A OG PHE 94.A O no hydrogen 2.739 N/A LYS 74.A NZ LYS 74.A O no hydrogen 2.314 N/A GLN 76.A NE2 THR 119.A OG1 no hydrogen 3.372 N/A SER 77.A N CYS 92.A O no hydrogen 3.353 N/A SER 77.A OG LEU 78.A O no hydrogen 3.235 N/A LEU 79.A N LYS 90.A O no hydrogen 2.898 N/A ILE 80.A N TRP 65.A O no hydrogen 3.266 N/A VAL 81.A N VAL 88.A O no hydrogen 3.288 N/A THR 85.A OG1 ASN 86.A O no hydrogen 3.361 N/A VAL 88.A N VAL 81.A O no hydrogen 2.773 N/A VAL 91.A N PHE 120.A O no hydrogen 2.820 N/A GLU 93.A N ASN 116.A O no hydrogen 2.848 N/A CYS 97.A N VAL 111.A O no hydrogen 2.970 N/A CYS 97.A SG ARG 110.A O no hydrogen 3.036 N/A LEU 102.A N LEU 180.A O no hydrogen 3.226 N/A SER 113.A N GLN 95.A O no hydrogen 2.743 N/A SER 114.A OG SER 113.A O no hydrogen 2.920 N/A ASN 116.A N GLU 93.A O no hydrogen 2.916 N/A CYS 118.A SG ALA 115.A O no hydrogen 3.135 N/A THR 119.A N VAL 91.A O no hydrogen 2.763 N/A THR 119.A OG1 ASN 117.A O no hydrogen 3.001 N/A TYR 122.A OH SER 124.A OG no hydrogen 2.740 N/A SER 124.A OG TYR 122.A OH no hydrogen 2.740 N/A SER 124.A OG VAL 123.A O no hydrogen 2.585 N/A LYS 125.A N LEU 150.A O no hydrogen 2.249 N/A LEU 127.A N THR 146.A O no hydrogen 2.862 N/A ARG 128.A N SER 55.A O no hydrogen 3.063 N/A GLU 129.A N LYS 144.A O no hydrogen 2.926 N/A PHE 130.A N PHE 53.A O no hydrogen 2.883 N/A VAL 131.A N TYR 142.A O no hydrogen 2.912 N/A PHE 132.A N VAL 51.A O no hydrogen 2.925 N/A LYS 133.A N LYS 140.A O no hydrogen 2.992 N/A LYS 133.A NZ TYR 11.A OH no hydrogen 3.086 N/A ILE 135.A N TYR 138.A O no hydrogen 2.904 N/A TYR 138.A N ILE 135.A O no hydrogen 2.881 N/A PHE 139.A N LEU 167.A O no hydrogen 3.041 N/A LYS 140.A N LYS 133.A O no hydrogen 2.855 N/A TYR 142.A N VAL 131.A O no hydrogen 2.913 N/A SER 143.A N GLU 162.A O no hydrogen 3.214 N/A LYS 144.A N GLU 129.A O no hydrogen 3.066 N/A LYS 144.A NZ SER 159.A OG no hydrogen 2.351 N/A THR 146.A N LEU 127.A O no hydrogen 2.909 N/A THR 146.A OG1 GLU 129.A OE1 no hydrogen 3.531 N/A LEU 161.A N VAL 10.A O no hydrogen 2.575 N/A GLU 162.A N SER 143.A O no hydrogen 3.156 N/A LEU 164.A N ILE 141.A O no hydrogen 2.847 N/A VAL 165.A N ILE 141.A O no hydrogen 3.410 N/A ILE 169.A N LEU 167.A O no hydrogen 2.940 N/A THR 174.A N GLY 68.A O no hydrogen 2.732 N/A ARG 175.A N GLY 68.A O no hydrogen 2.602 N/A PHE 176.A N LEU 45.A O no hydrogen 3.398 N/A GLN 177.A N ILE 66.A O no hydrogen 2.908 N/A ALA 181.A N ILE 61.A O no hydrogen 3.176 N/A LEU 182.A N LEU 102.A O no hydrogen 2.980 N/A TYR 187.A N PHE 39.A O no hydrogen 3.066 N/A TYR 188.A N ALA 54.A O no hydrogen 3.514 N/A GLY 190.A N TYR 52.A O no hydrogen 3.185 N/A LEU 192.A N ASP 49.A O no hydrogen 3.435 N/A GLN 193.A N PHE 29.A O no hydrogen 2.920 N/A ARG 195.A N ASP 27.A O no hydrogen 2.823 N/A ARG 195.A NH2 ASP 212.A OD2 no hydrogen 2.409 N/A PHE 197.A N THR 25.A O no hydrogen 2.900 N/A LEU 198.A N VAL 211.A O no hydrogen 2.973 N/A LEU 199.A N HIS 23.A O no hydrogen 2.852 N/A LYS 200.A N ASP 209.A O no hydrogen 2.935 N/A ASN 202.A N THR 206.A O no hydrogen 2.720 N/A GLU 203.A N ASN 202.A OD1 no hydrogen 2.505 N/A GLY 205.A N ASN 202.A O no hydrogen 3.342 N/A THR 206.A OG1 TYR 12.A OH no hydrogen 2.786 N/A ILE 207.A N TYR 12.A OH no hydrogen 3.355 N/A THR 208.A N LYS 200.A O no hydrogen 3.076 N/A ALA 210.A N ASP 209.A OD1 no hydrogen 2.947 N/A VAL 211.A N LEU 198.A O no hydrogen 2.920 N/A CYS 213.A N THR 196.A O no hydrogen 3.413 N/A CYS 213.A SG THR 196.A O no hydrogen 3.725 N/A CYS 213.A SG VAL 211.A O no hydrogen 3.781 N/A SER 219.A N ASP 216.A OD1 no hydrogen 3.239 N/A SER 219.A OG ASP 216.A OD1 no hydrogen 2.445 N/A GLU 220.A N ASP 216.A O no hydrogen 3.173 N/A THR 221.A N PRO 217.A O no hydrogen 2.949 N/A THR 221.A OG1 PRO 217.A O no hydrogen 3.165 N/A LYS 222.A N LEU 218.A O no hydrogen 2.946 N/A CYS 223.A N SER 219.A O no hydrogen 2.928 N/A THR 224.A N GLU 220.A O no hydrogen 2.948 N/A THR 224.A OG1 GLU 220.A O no hydrogen 2.406 N/A LEU 225.A N THR 221.A O no hydrogen 2.944 N/A LYS 226.A N CYS 223.A O no hydrogen 3.349 N/A LYS 226.A NZ LEU 22.A O no hydrogen 2.843 N/A SER 227.A N LYS 222.A O no hydrogen 3.149 N/A SER 227.A OG THR 229.A O no hydrogen 3.109 N/A THR 229.A N SER 227.A OG no hydrogen 3.035 N/A VAL 230.A N THR 489.A OG1 no hydrogen 3.231 N/A LYS 232.A NZ ASP 532.A OD1 no hydrogen 2.965 N/A TYR 235.A N VAL 484.A O no hydrogen 3.179 N/A TYR 235.A OH GLU 231.A O no hydrogen 2.448 N/A THR 237.A N VAL 482.A O no hydrogen 2.860 N/A SER 238.A N VAL 482.A O no hydrogen 3.419 N/A SER 238.A OG ASN 239.A O no hydrogen 3.541 N/A PHE 240.A N GLY 480.A O no hydrogen 3.026 N/A THR 245.A OG1 GLU 246.A OE1 no hydrogen 2.373 N/A ILE 248.A N ASN 427.A O no hydrogen 3.230 N/A ARG 250.A N ASN 429.A O no hydrogen 2.787 N/A THR 255.A OG1 ASN 256.A OD1 no hydrogen 2.884 N/A LEU 257.A N THR 255.A O no hydrogen 3.167 N/A VAL 263.A N PHE 260.A O no hydrogen 2.775 N/A PHE 264.A N PHE 260.A O no hydrogen 3.049 N/A ASN 276.A N SER 321.A O no hydrogen 3.072 N/A ARG 277.A NH2 ASP 320.A OD1 no hydrogen 3.097 N/A LYS 278.A N ALA 319.A O no hydrogen 2.934 N/A ARG 279.A NH2 TYR 318.A OH no hydrogen 3.058 N/A CYS 283.A SG SER 281.A O no hydrogen 3.226 N/A VAL 284.A N ASN 256.A O no hydrogen 2.731 N/A ALA 285.A N CYS 412.A O no hydrogen 3.254 N/A TYR 291.A N TYR 287.A O no hydrogen 2.876 N/A ASN 292.A N SER 288.A O no hydrogen 2.980 N/A SER 293.A N LEU 290.A O no hydrogen 3.062 N/A THR 298.A N ALA 357.A O no hydrogen 2.985 N/A THR 298.A OG1 SER 297.A O no hydrogen 3.050 N/A LYS 300.A N VAL 355.A O no hydrogen 2.992 N/A TYR 302.A N GLY 353.A O no hydrogen 3.151 N/A GLY 303.A N THR 352.A O no hydrogen 3.205 N/A LYS 308.A NZ SER 305.A OG no hydrogen 2.345 N/A LYS 308.A NZ THR 307.A OG1 no hydrogen 2.364 N/A LEU 309.A N PRO 306.A O no hydrogen 3.182 N/A LEU 312.A N LEU 309.A O no hydrogen 3.415 N/A CYS 313.A SG PHE 314.A O no hydrogen 3.668 N/A CYS 313.A SG THR 410.A O no hydrogen 2.615 N/A CYS 313.A SG VAL 411.A O no hydrogen 2.981 N/A PHE 314.A N VAL 411.A O no hydrogen 3.128 N/A THR 315.A N GLU 403.A O no hydrogen 3.251 N/A ASN 316.A N GLU 403.A O no hydrogen 3.234 N/A TYR 318.A N SER 401.A O no hydrogen 2.956 N/A ALA 319.A N LYS 278.A O no hydrogen 2.834 N/A ASP 320.A N VAL 399.A O no hydrogen 2.995 N/A PHE 322.A N VAL 397.A O no hydrogen 3.069 N/A ILE 324.A N TYR 395.A O no hydrogen 3.003 N/A ARG 330.A NE ASP 327.A O no hydrogen 3.286 N/A GLN 331.A N GLU 328.A O no hydrogen 3.347 N/A ILE 340.A N GLN 331.A OE1 no hydrogen 3.326 N/A ALA 341.A N GLN 331.A OE1 no hydrogen 3.392 N/A ASP 342.A N GLY 338.A O no hydrogen 2.667 N/A TYR 345.A N ILE 340.A O no hydrogen 3.064 N/A TYR 345.A OH ASP 320.A OD2 no hydrogen 2.481 N/A CYS 354.A N LEU 400.A O no hydrogen 2.912 N/A VAL 355.A N LYS 300.A O no hydrogen 2.831 N/A ILE 356.A N VAL 398.A O no hydrogen 2.943 N/A ALA 357.A N THR 298.A O no hydrogen 2.910 N/A TRP 358.A N ARG 396.A O no hydrogen 3.020 N/A ASN 359.A ND2 GLN 393.A OE1 no hydrogen 3.308 N/A ASN 359.A ND2 TYR 395.A OH no hydrogen 3.533 N/A SER 360.A N PRO 394.A O no hydrogen 2.992 N/A SER 360.A OG SER 360.A O no hydrogen 2.209 N/A SER 360.A OG ASP 364.A OD2 no hydrogen 2.691 N/A ASN 361.A N ASN 359.A OD1 no hydrogen 2.558 N/A ASN 361.A ND2 PRO 386.A O no hydrogen 3.683 N/A ASP 364.A N SER 360.A O no hydrogen 3.349 N/A SER 365.A N ASN 361.A O no hydrogen 3.357 N/A GLY 369.A N LYS 366.A O no hydrogen 2.830 N/A ASN 370.A N PHE 384.A O no hydrogen 2.922 N/A ASN 370.A ND2 ASP 364.A O no hydrogen 2.460 N/A ASN 372.A N ASN 370.A OD1 no hydrogen 3.251 N/A TYR 373.A OH ASP 364.A OD1 no hydrogen 2.437 N/A TYR 375.A N GLN 380.A O no hydrogen 2.847 N/A LEU 377.A N PRO 378.A O no hydrogen 3.148 N/A GLN 380.A N TYR 375.A O no hydrogen 2.924 N/A TYR 382.A N TYR 373.A O no hydrogen 2.987 N/A TYR 382.A OH GLU 328.A OE2 no hydrogen 2.706 N/A THR 387.A OG1 THR 387.A O no hydrogen 2.313 N/A ASN 388.A ND2 TYR 392.A O no hydrogen 3.554 N/A TYR 392.A N GLY 389.A O no hydrogen 2.905 N/A GLN 393.A NE2 ASN 388.A O no hydrogen 2.501 N/A TYR 395.A N ILE 324.A O no hydrogen 2.891 N/A ARG 396.A N TRP 358.A O no hydrogen 2.944 N/A ARG 396.A NE ASP 364.A OD2 no hydrogen 2.851 N/A ARG 396.A NH1 ALA 266.A O no hydrogen 3.309 N/A ARG 396.A NH2 ASP 364.A OD2 no hydrogen 3.339 N/A VAL 397.A N PHE 322.A O no hydrogen 2.957 N/A VAL 398.A N ILE 356.A O no hydrogen 2.939 N/A VAL 399.A N ASP 320.A O no hydrogen 2.901 N/A LEU 400.A N CYS 354.A O no hydrogen 2.890 N/A SER 401.A N TYR 318.A O no hydrogen 2.895 N/A GLU 403.A N ASN 316.A O no hydrogen 2.892 N/A THR 410.A OG1 THR 315.A O no hydrogen 2.716 N/A THR 410.A OG1 ALA 409.A O no hydrogen 2.137 N/A CYS 412.A SG THR 410.A O no hydrogen 2.798 N/A GLY 413.A N LEU 312.A O no hydrogen 3.160 N/A THR 418.A N VAL 249.A O no hydrogen 3.131 N/A THR 418.A OG1 ASN 419.A O no hydrogen 3.279 N/A ASN 423.A N LEU 439.A O no hydrogen 3.035 N/A VAL 426.A N GLY 437.A O no hydrogen 2.921 N/A PHE 428.A N GLY 435.A O no hydrogen 2.915 N/A ASN 429.A N ILE 248.A O no hydrogen 3.221 N/A ASN 429.A ND2 THR 434.A OG1 no hydrogen 3.069 N/A PHE 430.A N LEU 433.A O no hydrogen 2.863 N/A ASN 431.A N ARG 250.A O no hydrogen 3.297 N/A ASN 431.A ND2 ASN 431.A O no hydrogen 2.409 N/A GLY 432.A N ASN 429.A OD1 no hydrogen 3.442 N/A LEU 433.A N PHE 430.A O no hydrogen 2.929 N/A GLY 435.A N PHE 428.A O no hydrogen 2.956 N/A GLY 437.A N VAL 426.A O no hydrogen 2.916 N/A VAL 438.A N THR 475.A O no hydrogen 3.140 N/A THR 440.A N ASP 473.A O no hydrogen 3.002 N/A THR 440.A OG1 LEU 439.A O no hydrogen 3.477 N/A SER 442.A N ILE 471.A O no hydrogen 3.215 N/A SER 442.A OG ASP 473.A OD1 no hydrogen 3.075 N/A LYS 444.A N SER 442.A OG no hydrogen 3.004 N/A LEU 447.A N GLN 450.A OE1 no hydrogen 2.795 N/A PHE 449.A N LEU 447.A O no hydrogen 2.473 N/A GLN 450.A N LEU 447.A O no hydrogen 2.840 N/A GLY 453.A N ALA 462.A O no hydrogen 2.991 N/A ASP 455.A N THR 459.A O no hydrogen 2.995 N/A ASP 458.A N ASP 455.A O no hydrogen 2.952 N/A ASP 461.A N GLY 453.A O no hydrogen 2.968 N/A ALA 462.A N GLY 453.A O no hydrogen 3.423 N/A VAL 463.A N LEU 472.A O no hydrogen 2.924 N/A ARG 464.A NH1 LEU 447.A O no hydrogen 3.568 N/A ASP 465.A N GLU 470.A O no hydrogen 2.983 N/A GLN 467.A NE2 PHE 251.A O no hydrogen 3.105 N/A THR 468.A OG1 GLU 470.A OE2 no hydrogen 2.978 N/A LEU 469.A N ASP 465.A O no hydrogen 2.660 N/A LEU 472.A N VAL 463.A O no hydrogen 2.884 N/A ASP 473.A N THR 440.A O no hydrogen 2.871 N/A ILE 474.A N ASP 461.A O no hydrogen 2.921 N/A THR 475.A N VAL 438.A O no hydrogen 2.960 N/A SER 478.A OG GLU 506.A OE2 no hydrogen 3.297 N/A GLY 480.A N PHE 240.A O no hydrogen 3.335 N/A VAL 482.A N SER 238.A O no hydrogen 2.905 N/A SER 483.A N LEU 498.A O no hydrogen 2.927 N/A VAL 484.A N TYR 235.A O no hydrogen 2.821 N/A ILE 485.A N ALA 496.A O no hydrogen 2.848 N/A GLY 488.A N THR 486.A OG1 no hydrogen 2.905 N/A THR 489.A N VAL 230.A O no hydrogen 3.304 N/A THR 489.A OG1 VAL 230.A O no hydrogen 3.052 N/A THR 491.A N GLY 488.A O no hydrogen 2.931 N/A SER 492.A N GLY 488.A O no hydrogen 3.135 N/A GLN 494.A N SER 492.A OG no hydrogen 3.029 N/A GLN 494.A NE2 GLN 546.A O no hydrogen 3.353 N/A ALA 496.A N ILE 485.A O no hydrogen 2.954 N/A VAL 497.A N ILE 520.A O no hydrogen 2.912 N/A LEU 498.A N SER 483.A O no hydrogen 2.894 N/A TYR 499.A N CYS 518.A O no hydrogen 2.909 N/A GLN 500.A N GLY 481.A O no hydrogen 2.947 N/A GLY 501.A N ALA 516.A O no hydrogen 3.144 N/A GLU 506.A N ASN 503.A O no hydrogen 3.184 N/A ASN 510.A N SER 509.A OG no hydrogen 2.482 N/A PHE 512.A N LEU 519.A O no hydrogen 3.006 N/A GLN 513.A NE2 ASN 503.A OD1 no hydrogen 3.080 N/A THR 514.A N GLY 517.A O no hydrogen 2.850 N/A GLY 517.A N THR 514.A O no hydrogen 3.291 N/A CYS 518.A N TYR 499.A O no hydrogen 2.911 N/A LEU 519.A N PHE 512.A O no hydrogen 2.906 N/A ILE 520.A N VAL 497.A O no hydrogen 2.913 N/A GLY 521.A N ASN 510.A O no hydrogen 3.175 N/A GLU 523.A N ILE 548.A O no hydrogen 2.984 N/A VAL 525.A N ALA 550.A O no hydrogen 3.172 N/A ILE 533.A N ALA 541.A O no hydrogen 3.141 N/A ILE 535.A N ILE 539.A O no hydrogen 2.914 N/A GLY 536.A N ILE 539.A O no hydrogen 3.038 N/A ILE 539.A N GLY 536.A O no hydrogen 2.929 N/A CYS 540.A N TYR 551.A O no hydrogen 3.380 N/A ALA 541.A N ILE 533.A O no hydrogen 2.932 N/A SER 542.A OG ASP 532.A OD2 no hydrogen 2.220 N/A GLN 544.A NE2 TYR 529.A OH no hydrogen 3.235 N/A GLN 544.A NE2 THR 545.A OG1 no hydrogen 2.810 N/A GLN 546.A NE2 GLN 546.A O no hydrogen 3.057 N/A ILE 549.A N SER 542.A O no hydrogen 3.265 N/A ALA 550.A N GLU 523.A O no hydrogen 2.654 N/A MET 553.A N GLY 538.A O no hydrogen 2.996 N/A TYR 563.A N VAL 561.A O no hydrogen 2.840 N/A SER 564.A OG ASN 566.A OD1 no hydrogen 3.492 N/A ASN 566.A N SER 564.A OG no hydrogen 3.304 N/A ILE 568.A N PHE 901.A O no hydrogen 3.225 N/A ILE 570.A N LYS 899.A O no hydrogen 2.899 N/A THR 572.A N ALA 896.A O no hydrogen 3.199 N/A THR 572.A N GLN 897.A O no hydrogen 3.170 N/A THR 572.A OG1 GLN 897.A O no hydrogen 2.486 N/A ASN 573.A N ALA 896.A O no hydrogen 2.980 N/A PHE 574.A N ASN 573.A OD1 no hydrogen 3.064 N/A THR 575.A N VAL 894.A O no hydrogen 2.842 N/A SER 577.A N THR 892.A O no hydrogen 3.010 N/A SER 577.A OG THR 892.A OG1 no hydrogen 3.177 N/A THR 579.A N HIS 890.A O no hydrogen 2.961 N/A GLU 581.A N PHE 888.A O no hydrogen 2.937 N/A LEU 583.A N VAL 886.A O no hydrogen 2.955 N/A VAL 585.A N HIS 884.A O no hydrogen 2.814 N/A SER 586.A N HIS 884.A O no hydrogen 3.285 N/A MET 587.A N GLN 630.A OE1 no hydrogen 3.184 N/A LYS 589.A NZ ASP 631.A OD1 no hydrogen 3.412 N/A LYS 589.A NZ ASP 631.A OD2 no hydrogen 3.009 N/A LYS 589.A NZ PRO 691.A O no hydrogen 3.007 N/A THR 590.A OG1 TYR 833.A OH no hydrogen 3.373 N/A SER 591.A N THR 688.A O no hydrogen 2.856 N/A ASP 593.A N GLY 686.A O no hydrogen 2.746 N/A TYR 597.A N ASP 593.A O no hydrogen 3.028 N/A TYR 597.A N CYS 594.A O no hydrogen 3.182 N/A TYR 597.A OH LEU 788.A O no hydrogen 2.873 N/A ILE 598.A N CYS 594.A O no hydrogen 2.922 N/A CYS 599.A N THR 595.A O no hydrogen 2.961 N/A GLY 600.A N THR 595.A O no hydrogen 3.328 N/A GLU 604.A N GLU 604.A OE2 no hydrogen 2.631 N/A CYS 605.A SG ILE 598.A O no hydrogen 3.894 N/A SER 606.A N SER 602.A O no hydrogen 3.141 N/A ASN 607.A N THR 603.A O no hydrogen 3.166 N/A ASN 607.A ND2 THR 603.A O no hydrogen 2.653 N/A LEU 608.A N GLU 604.A O no hydrogen 3.417 N/A LEU 609.A N CYS 605.A O no hydrogen 3.052 N/A GLN 611.A N LEU 608.A O no hydrogen 3.190 N/A TYR 612.A N LEU 609.A O no hydrogen 2.950 N/A TYR 612.A OH THR 824.A OG1 no hydrogen 3.258 N/A GLY 613.A N LEU 610.A O no hydrogen 3.509 N/A THR 617.A N SER 614.A O no hydrogen 3.243 N/A GLN 618.A N SER 614.A O no hydrogen 3.327 N/A LEU 619.A N PHE 615.A O no hydrogen 3.061 N/A ASN 620.A ND2 CYS 616.A O no hydrogen 2.703 N/A ARG 621.A N THR 617.A O no hydrogen 2.979 N/A ALA 622.A N GLN 618.A O no hydrogen 2.972 N/A LEU 623.A N LEU 619.A O no hydrogen 3.043 N/A THR 624.A N ASN 620.A O no hydrogen 2.943 N/A THR 624.A OG1 ASN 620.A O no hydrogen 2.959 N/A GLY 625.A N ARG 621.A O no hydrogen 2.971 N/A ILE 626.A N ALA 622.A O no hydrogen 3.065 N/A ALA 627.A N LEU 623.A O no hydrogen 2.969 N/A VAL 628.A N THR 624.A O no hydrogen 3.037 N/A GLN 630.A NE2 ILE 626.A O no hydrogen 2.899 N/A GLN 630.A NE2 GLU 629.A OE2 no hydrogen 3.086 N/A ASP 631.A N VAL 628.A O no hydrogen 3.234 N/A LYS 632.A N VAL 628.A O no hydrogen 3.154 N/A ASN 633.A N GLU 629.A O no hydrogen 2.888 N/A ASN 633.A ND2 VAL 585.A O no hydrogen 3.295 N/A ASN 633.A ND2 GLU 629.A OE2 no hydrogen 3.509 N/A THR 634.A OG1 GLN 630.A O no hydrogen 3.350 N/A GLN 635.A N ASP 631.A O no hydrogen 3.067 N/A GLU 636.A N LYS 632.A O no hydrogen 3.412 N/A VAL 637.A N THR 634.A O no hydrogen 3.245 N/A PHE 638.A N THR 634.A O no hydrogen 3.077 N/A ALA 639.A N GLN 635.A O no hydrogen 3.165 N/A GLN 640.A N PHE 638.A O no hydrogen 2.872 N/A GLN 640.A NE2 GLU 636.A O no hydrogen 3.300 N/A GLN 640.A NE2 ALA 852.A O no hydrogen 3.204 N/A ASN 657.A N ASN 757.A OD1 no hydrogen 3.130 N/A SER 659.A OG GLN 660.A OE1 no hydrogen 2.968 N/A GLN 660.A NE2 GLN 764.A OE1 no hydrogen 3.059 N/A ILE 661.A N PHE 658.A O no hydrogen 3.233 N/A ASP 664.A N ARG 671.A O no hydrogen 3.013 N/A SER 666.A OG ASP 664.A OD2 no hydrogen 2.856 N/A LYS 667.A N ASP 664.A O no hydrogen 3.252 N/A LYS 667.A NZ ASP 676.A OD2 no hydrogen 2.990 N/A SER 669.A OG SER 669.A O no hydrogen 2.184 N/A ARG 671.A NH2 ASP 676.A OD1 no hydrogen 3.186 N/A SER 672.A N GLU 675.A OE2 no hydrogen 2.944 N/A SER 672.A OG GLU 675.A OE2 no hydrogen 3.235 N/A SER 672.A OG GLN 880.A OE1 no hydrogen 2.984 N/A ILE 674.A N GLN 660.A O no hydrogen 3.317 N/A GLU 675.A N SER 672.A OG no hydrogen 3.107 N/A ASP 676.A N SER 672.A O no hydrogen 3.326 N/A LEU 678.A N ILE 674.A O no hydrogen 3.404 N/A PHE 679.A N GLU 675.A O no hydrogen 3.379 N/A ASN 680.A N ASP 676.A O no hydrogen 3.052 N/A LYS 681.A N LEU 678.A O no hydrogen 3.421 N/A LYS 681.A NZ LEU 767.A O no hydrogen 2.898 N/A THR 688.A N SER 591.A O no hydrogen 2.911 N/A LEU 690.A N LYS 589.A O no hydrogen 2.875 N/A MET 698.A N THR 695.A OG1 no hydrogen 3.388 N/A ILE 699.A N THR 695.A O no hydrogen 3.391 N/A ALA 700.A N ASP 696.A O no hydrogen 3.004 N/A GLN 701.A N GLU 697.A O no hydrogen 2.968 N/A TYR 702.A N MET 698.A O no hydrogen 2.981 N/A THR 703.A N ILE 699.A O no hydrogen 3.027 N/A THR 703.A OG1 GLU 675.A OE1 no hydrogen 3.072 N/A THR 703.A OG1 ALA 700.A O no hydrogen 3.182 N/A SER 704.A N ALA 700.A O no hydrogen 3.000 N/A SER 704.A OG ALA 700.A O no hydrogen 3.308 N/A SER 704.A OG GLN 701.A O no hydrogen 2.944 N/A ALA 705.A N GLN 701.A O no hydrogen 3.025 N/A LEU 706.A N TYR 702.A O no hydrogen 3.028 N/A LEU 707.A N THR 703.A O no hydrogen 2.961 N/A ALA 708.A N SER 704.A O no hydrogen 2.952 N/A GLY 709.A N ALA 705.A O no hydrogen 3.086 N/A THR 710.A N LEU 706.A O no hydrogen 3.045 N/A ILE 711.A N LEU 707.A O no hydrogen 3.194 N/A SER 713.A N GLY 709.A O no hydrogen 2.968 N/A THR 716.A N SER 713.A O no hydrogen 3.389 N/A THR 716.A OG1 SER 713.A O no hydrogen 2.769 N/A THR 716.A OG1 LEU 723.A O no hydrogen 3.400 N/A ALA 719.A N THR 716.A O no hydrogen 3.306 N/A LEU 723.A N THR 716.A OG1 no hydrogen 3.111 N/A GLN 724.A N GLN 724.A OE1 no hydrogen 2.842 N/A ILE 725.A N THR 712.A O no hydrogen 3.444 N/A GLN 730.A N PRO 726.A O no hydrogen 3.139 N/A MET 731.A N PHE 727.A O no hydrogen 2.957 N/A ALA 732.A N ALA 728.A O no hydrogen 2.940 N/A TYR 733.A N MET 729.A O no hydrogen 3.009 N/A ARG 734.A N GLN 730.A O no hydrogen 3.005 N/A ARG 734.A NH1 LEU 875.A O no hydrogen 3.536 N/A PHE 735.A N MET 731.A O no hydrogen 2.961 N/A ASN 736.A N ALA 732.A O no hydrogen 2.978 N/A GLY 737.A N TYR 733.A O no hydrogen 3.011 N/A ILE 738.A N PHE 735.A O no hydrogen 3.245 N/A GLY 739.A N ASN 736.A O no hydrogen 3.112 N/A VAL 740.A N PHE 735.A O no hydrogen 3.055 N/A VAL 744.A N THR 741.A O no hydrogen 3.365 N/A LEU 745.A N GLN 742.A O no hydrogen 3.001 N/A TYR 746.A N GLN 742.A O no hydrogen 3.019 N/A GLU 747.A N ASN 743.A O no hydrogen 2.933 N/A ASN 748.A N LEU 745.A O no hydrogen 3.173 N/A GLN 749.A NE2 GLY 654.A O no hydrogen 3.264 N/A ILE 752.A N ASN 748.A O no hydrogen 2.934 N/A ALA 753.A N GLN 749.A O no hydrogen 2.929 N/A ASN 754.A N LYS 750.A O no hydrogen 2.929 N/A GLN 755.A N LEU 751.A O no hydrogen 2.946 N/A PHE 756.A N ILE 752.A O no hydrogen 2.999 N/A ASN 757.A N ALA 753.A O no hydrogen 2.950 N/A ASN 757.A ND2 GLY 655.A O no hydrogen 3.202 N/A SER 758.A N ASN 754.A O no hydrogen 2.931 N/A ALA 759.A N GLN 755.A O no hydrogen 2.974 N/A ALA 759.A N PHE 756.A O no hydrogen 3.247 N/A ILE 760.A N PHE 756.A O no hydrogen 2.959 N/A GLY 761.A N ASN 757.A O no hydrogen 3.011 N/A SER 766.A N LYS 762.A O no hydrogen 2.931 N/A SER 766.A OG ILE 763.A O no hydrogen 3.427 N/A LEU 767.A N ILE 763.A O no hydrogen 2.947 N/A SER 768.A N GLN 764.A O no hydrogen 2.895 N/A SER 769.A N ASP 765.A O no hydrogen 2.890 N/A SER 769.A OG ASP 765.A O no hydrogen 3.536 N/A SER 769.A OG SER 769.A O no hydrogen 2.328 N/A GLN 775.A N LEU 771.A O no hydrogen 3.105 N/A ASP 776.A N GLY 772.A O no hydrogen 2.935 N/A ASN 779.A N GLN 775.A O no hydrogen 2.965 N/A GLN 780.A N ASP 776.A O no hydrogen 2.928 N/A GLN 780.A NE2 ASP 776.A O no hydrogen 3.258 N/A ASN 781.A N VAL 777.A O no hydrogen 3.314 N/A ALA 782.A N VAL 778.A O no hydrogen 3.068 N/A GLN 783.A N ASN 779.A O no hydrogen 2.888 N/A GLN 783.A NE2 GLN 783.A O no hydrogen 3.454 N/A ALA 784.A N GLN 780.A O no hydrogen 3.001 N/A LEU 785.A N ASN 781.A O no hydrogen 2.960 N/A ASN 786.A N ALA 782.A O no hydrogen 2.961 N/A THR 787.A N GLN 783.A O no hydrogen 3.308 N/A THR 787.A OG1 GLN 783.A O no hydrogen 3.176 N/A LEU 788.A N ALA 784.A O no hydrogen 3.013 N/A VAL 789.A N LEU 785.A O no hydrogen 3.371 N/A LYS 790.A N ASN 786.A O no hydrogen 2.926 N/A GLN 791.A N LEU 788.A O no hydrogen 3.450 N/A LEU 792.A N VAL 789.A O no hydrogen 3.031 N/A SER 793.A OG SER 793.A O no hydrogen 2.241 N/A SER 800.A OG VAL 802.A O no hydrogen 3.311 N/A ASP 805.A N VAL 802.A O no hydrogen 3.291 N/A ILE 806.A N VAL 802.A O no hydrogen 3.364 N/A LEU 807.A N LEU 803.A O no hydrogen 2.939 N/A ARG 809.A NH2 ASP 805.A OD2 no hydrogen 3.367 N/A GLU 814.A N ASP 811.A O no hydrogen 2.735 N/A ALA 815.A N ASP 811.A O no hydrogen 2.971 N/A GLU 816.A N PRO 812.A O no hydrogen 3.358 N/A ILE 819.A N ALA 815.A O no hydrogen 2.868 N/A ASP 820.A N GLU 816.A O no hydrogen 2.972 N/A ILE 823.A N ILE 819.A O no hydrogen 2.921 N/A THR 824.A N ASP 820.A O no hydrogen 2.979 N/A THR 824.A OG1 TYR 612.A OH no hydrogen 3.258 N/A GLY 825.A N ARG 821.A O no hydrogen 3.487 N/A ARG 826.A N LEU 822.A O no hydrogen 2.952 N/A ARG 826.A NH1 ILE 598.A O no hydrogen 2.646 N/A LEU 827.A N ILE 823.A O no hydrogen 2.932 N/A GLN 828.A N THR 824.A O no hydrogen 3.010 N/A SER 829.A N GLY 825.A O no hydrogen 2.983 N/A SER 829.A OG GLY 825.A O no hydrogen 3.479 N/A SER 829.A OG ARG 826.A O no hydrogen 2.766 N/A LEU 830.A N ARG 826.A O no hydrogen 2.994 N/A GLN 831.A N LEU 827.A O no hydrogen 2.966 N/A THR 832.A N GLN 828.A O no hydrogen 2.978 N/A THR 832.A OG1 GLN 828.A O no hydrogen 3.347 N/A TYR 833.A N SER 829.A O no hydrogen 3.043 N/A TYR 833.A OH THR 590.A OG1 no hydrogen 3.373 N/A VAL 834.A N LEU 830.A O no hydrogen 3.019 N/A THR 835.A N GLN 831.A O no hydrogen 2.998 N/A THR 835.A OG1 GLN 831.A O no hydrogen 3.361 N/A GLN 836.A N THR 832.A O no hydrogen 3.100 N/A GLN 837.A N TYR 833.A O no hydrogen 3.258 N/A LEU 838.A N VAL 834.A O no hydrogen 3.348 N/A ILE 839.A N THR 835.A O no hydrogen 3.109 N/A ARG 840.A N GLN 836.A O no hydrogen 2.976 N/A ARG 840.A NE GLN 780.A OE1 no hydrogen 3.027 N/A ALA 841.A N GLN 837.A O no hydrogen 2.885 N/A ALA 842.A N LEU 838.A O no hydrogen 3.054 N/A GLU 843.A N ARG 840.A O no hydrogen 3.252 N/A ILE 844.A N ARG 840.A O no hydrogen 3.097 N/A ARG 845.A N ALA 841.A O no hydrogen 2.962 N/A ARG 845.A NH1 ASN 633.A OD1 no hydrogen 2.578 N/A ARG 845.A NH1 GLU 636.A OE1 no hydrogen 3.501 N/A SER 847.A N GLU 843.A O no hydrogen 3.340 N/A SER 847.A OG PRO 584.A O no hydrogen 3.064 N/A ALA 848.A N ILE 844.A O no hydrogen 3.032 N/A ASN 849.A N ARG 845.A O no hydrogen 2.938 N/A LEU 850.A N ALA 846.A O no hydrogen 2.997 N/A ALA 851.A N SER 847.A O no hydrogen 2.948 N/A ALA 852.A N ALA 848.A O no hydrogen 2.972 N/A THR 853.A N ASN 849.A O no hydrogen 3.351 N/A THR 853.A OG1 ASN 849.A O no hydrogen 3.196 N/A LYS 854.A N LEU 850.A O no hydrogen 2.963 N/A LYS 854.A NZ GLU 581.A OE2 no hydrogen 3.353 N/A LYS 854.A NZ PHE 868.A O no hydrogen 2.717 N/A MET 855.A N ALA 851.A O no hydrogen 2.978 N/A SER 856.A N ALA 852.A O no hydrogen 3.345 N/A SER 856.A OG GLN 640.A OE1 no hydrogen 3.046 N/A GLU 857.A N THR 853.A O no hydrogen 2.914 N/A CYS 858.A N LYS 854.A O no hydrogen 2.873 N/A LEU 860.A N MET 855.A O no hydrogen 3.336 N/A GLN 862.A NE2 ARG 734.A O no hydrogen 3.030 N/A GLN 862.A NE2 HIS 874.A O no hydrogen 2.976 N/A SER 863.A N HIS 874.A ND1 no hydrogen 3.317 N/A ARG 865.A NE GLU 857.A OE1 no hydrogen 3.433 N/A ARG 865.A NH2 GLU 857.A OE1 no hydrogen 3.373 N/A LYS 871.A NZ ASP 867.A OD1 no hydrogen 3.471 N/A LYS 871.A NZ ASP 867.A OD2 no hydrogen 2.982 N/A TYR 873.A N TYR 893.A O no hydrogen 3.034 N/A HIS 874.A NE2 SER 877.A OG no hydrogen 3.160 N/A LEU 875.A N VAL 891.A O no hydrogen 2.890 N/A MET 876.A N VAL 891.A O no hydrogen 3.075 N/A SER 877.A OG HIS 874.A NE2 no hydrogen 3.160 N/A SER 877.A OG HIS 890.A ND1 no hydrogen 2.460 N/A PHE 878.A N LEU 889.A O no hydrogen 2.918 N/A GLN 880.A N VAL 887.A O no hydrogen 2.874 N/A GLN 880.A NE2 PRO 879.A O no hydrogen 2.879 N/A SER 881.A N GLU 675.A OE1 no hydrogen 3.231 N/A SER 881.A OG GLU 675.A OE1 no hydrogen 2.813 N/A ALA 882.A N GLY 885.A O no hydrogen 2.946 N/A GLY 885.A N ALA 882.A O no hydrogen 3.530 N/A VAL 886.A N LEU 583.A O no hydrogen 2.969 N/A VAL 887.A N GLN 880.A O no hydrogen 2.885 N/A PHE 888.A N GLU 581.A O no hydrogen 2.889 N/A LEU 889.A N PHE 878.A O no hydrogen 2.882 N/A HIS 890.A N THR 579.A O no hydrogen 2.851 N/A HIS 890.A ND1 SER 877.A OG no hydrogen 2.460 N/A HIS 890.A NE2 GLU 581.A OE2 no hydrogen 3.291 N/A VAL 891.A N MET 876.A O no hydrogen 2.804 N/A THR 892.A N SER 577.A O no hydrogen 2.921 N/A THR 892.A OG1 SER 577.A OG no hydrogen 3.177 N/A THR 892.A OG1 LYS 871.A O no hydrogen 3.224 N/A TYR 893.A N TYR 873.A O no hydrogen 2.953 N/A VAL 894.A N THR 575.A O no hydrogen 2.966 N/A ALA 896.A N ASN 573.A O no hydrogen 2.928 N/A GLU 898.A N GLU 898.A OE1 no hydrogen 2.669 N/A LYS 899.A N ILE 570.A O no hydrogen 2.984 N/A PHE 901.A N ILE 568.A O no hydrogen 2.922 N/A THR 903.A N ASN 566.A O no hydrogen 3.147 N/A ILE 907.A N HIS 914.A O no hydrogen 2.981 N/A CYS 908.A N VAL 959.A O no hydrogen 2.768 N/A CYS 908.A SG LYS 912.A O no hydrogen 3.764 N/A HIS 909.A N LYS 912.A O no hydrogen 2.951 N/A LYS 912.A N HIS 909.A O no hydrogen 2.924 N/A ALA 913.A N GLY 950.A O no hydrogen 3.303 N/A HIS 914.A N ILE 907.A O no hydrogen 2.874 N/A PHE 915.A N PHE 947.A O no hydrogen 2.917 N/A ARG 917.A N ASN 945.A O no hydrogen 2.930 N/A ARG 917.A NE THR 946.A O no hydrogen 3.217 N/A ARG 917.A NH2 THR 946.A O no hydrogen 3.424 N/A VAL 920.A N THR 931.A O no hydrogen 2.913 N/A VAL 922.A N PHE 929.A O no hydrogen 2.948 N/A SER 923.A OG HIS 927.A O no hydrogen 3.302 N/A ASN 924.A N HIS 927.A O no hydrogen 3.207 N/A GLY 925.A N SER 923.A OG no hydrogen 3.286 N/A THR 926.A N ASN 924.A OD1 no hydrogen 3.206 N/A HIS 927.A N ASN 924.A OD1 no hydrogen 3.262 N/A PHE 929.A N VAL 922.A O no hydrogen 2.890 N/A VAL 930.A N GLN 939.A O no hydrogen 3.033 N/A THR 931.A N VAL 920.A O no hydrogen 2.961 N/A TYR 936.A N PRO 571.A O no hydrogen 2.998 N/A GLN 939.A N VAL 930.A O no hydrogen 2.977 N/A THR 942.A N ASN 945.A OD1 no hydrogen 2.969 N/A THR 942.A OG1 ASN 945.A OD1 no hydrogen 3.488 N/A THR 943.A N TYR 964.A O no hydrogen 3.232 N/A ASP 944.A N THR 942.A OG1 no hydrogen 3.197 N/A ASN 945.A ND2 ILE 940.A O no hydrogen 3.139 N/A THR 946.A OG1 THR 942.A O no hydrogen 2.702 N/A PHE 947.A N PHE 915.A O no hydrogen 2.909 N/A SER 949.A N ALA 913.A O no hydrogen 3.177 N/A VAL 959.A N ALA 906.A O no hydrogen 3.475 N/A ASN 961.A N CYS 908.A O no hydrogen 3.404 N/A ASN 961.A ND2 THR 962.A O no hydrogen 3.468 N/A TYR 964.A N ILE 941.A O no hydrogen 3.206 N/A LEU 971.A N LEU 967.A O no hydrogen 2.900 N/A