Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7dx9_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 2.467 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 3.095 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 199.A O no hydrogen 2.914 N/A SER 24.A OG PHE 197.A O no hydrogen 3.440 N/A THR 25.A N PHE 197.A O no hydrogen 2.973 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 2.931 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 3.258 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 2.933 N/A TYR 52.A N GLY 190.A O no hydrogen 3.277 N/A TYR 52.A OH GLU 129.A OE2 no hydrogen 2.613 N/A PHE 53.A N PHE 130.A O no hydrogen 2.923 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 3.129 N/A ARG 63.A N LEU 179.A O no hydrogen 2.945 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 3.326 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 2.612 N/A SER 73.A OG PHE 94.A O no hydrogen 2.740 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 2.774 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 2.849 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 3.037 N/A LEU 102.A N LEU 180.A O no hydrogen 3.225 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 2.917 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 2.863 N/A ARG 128.A N SER 55.A O no hydrogen 3.064 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 3.085 N/A ILE 135.A N TYR 138.A O no hydrogen 2.898 N/A TYR 138.A N ILE 135.A O no hydrogen 2.897 N/A PHE 139.A N LEU 167.A O no hydrogen 3.042 N/A LYS 140.A N LYS 133.A O no hydrogen 2.854 N/A TYR 142.A N VAL 131.A O no hydrogen 2.912 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 3.065 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 3.532 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 2.848 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 3.397 N/A GLN 177.A N ILE 66.A O no hydrogen 2.909 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 2.978 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 3.184 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 2.921 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 2.408 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 2.972 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 2.936 N/A ASN 202.A N THR 206.A O no hydrogen 2.718 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 3.343 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 3.356 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 2.948 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 3.780 N/A SER 219.A N ASP 216.A OD1 no hydrogen 3.238 N/A SER 219.A OG ASP 216.A OD1 no hydrogen 2.446 N/A GLU 220.A N ASP 216.A O no hydrogen 3.172 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 3.164 N/A LYS 222.A N LEU 218.A O no hydrogen 2.947 N/A CYS 223.A N SER 219.A O no hydrogen 2.927 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 3.348 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 3.148 N/A SER 227.A OG THR 229.A O no hydrogen 3.108 N/A THR 229.A N SER 227.A OG no hydrogen 3.035 N/A LYS 232.A NZ ASP 567.A OD1 no hydrogen 2.295 N/A LYS 232.A NZ ASP 567.A OD2 no hydrogen 2.748 N/A GLY 233.A N THR 521.A O no hydrogen 2.898 N/A TYR 235.A N VAL 519.A O no hydrogen 2.800 N/A TYR 235.A OH GLU 231.A O no hydrogen 2.448 N/A THR 237.A N VAL 517.A O no hydrogen 2.877 N/A SER 238.A N VAL 517.A O no hydrogen 3.372 N/A SER 238.A OG ASN 239.A O no hydrogen 3.508 N/A PHE 240.A N GLY 515.A O no hydrogen 3.008 N/A THR 245.A N CYS 460.A O no hydrogen 3.323 N/A ILE 248.A N ASN 462.A O no hydrogen 2.636 N/A ARG 250.A NE THR 453.A O no hydrogen 3.339 N/A THR 255.A OG1 ILE 254.A O no hydrogen 2.009 N/A ASN 256.A N THR 255.A OG1 no hydrogen 2.496 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 2.933 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 3.225 N/A ALA 285.A N CYS 447.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 3.049 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 2.363 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 3.417 N/A CYS 313.A SG PHE 314.A O no hydrogen 3.669 N/A CYS 313.A SG THR 445.A O no hydrogen 2.615 N/A CYS 313.A SG VAL 446.A O no hydrogen 2.981 N/A PHE 314.A N VAL 446.A O no hydrogen 3.127 N/A THR 315.A N GLU 438.A O no hydrogen 3.252 N/A ASN 316.A N GLU 438.A O no hydrogen 3.234 N/A TYR 318.A N SER 436.A O no hydrogen 2.956 N/A ALA 319.A N LYS 278.A O no hydrogen 2.833 N/A ASP 320.A N VAL 434.A O no hydrogen 2.996 N/A PHE 322.A N VAL 432.A O no hydrogen 3.070 N/A ILE 324.A N TYR 430.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 3.348 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 3.063 N/A TYR 345.A OH ASP 320.A OD2 no hydrogen 2.480 N/A CYS 354.A N LEU 435.A O no hydrogen 2.913 N/A VAL 355.A N LYS 300.A O no hydrogen 2.831 N/A ILE 356.A N VAL 433.A O no hydrogen 2.942 N/A ALA 357.A N THR 298.A O no hydrogen 2.909 N/A TRP 358.A N ARG 431.A O no hydrogen 3.020 N/A ASN 359.A ND2 GLN 428.A OE1 no hydrogen 3.309 N/A ASN 359.A ND2 TYR 430.A OH no hydrogen 3.533 N/A SER 360.A N PRO 429.A O no hydrogen 2.993 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 2.559 N/A ASN 361.A ND2 PRO 421.A O no hydrogen 3.683 N/A ASP 364.A N SER 360.A O no hydrogen 3.350 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 419.A O no hydrogen 2.922 N/A ASN 370.A ND2 ASP 364.A O no hydrogen 2.461 N/A ASN 372.A N ASN 370.A OD1 no hydrogen 3.250 N/A TYR 373.A OH ASP 364.A OD1 no hydrogen 2.437 N/A TYR 375.A N GLN 415.A O no hydrogen 2.845 N/A ARG 376.A NH2 ASP 389.A O no hydrogen 2.876 N/A ARG 376.A NH2 SER 391.A O no hydrogen 2.950 N/A LEU 377.A N PRO 413.A O no hydrogen 3.149 N/A ARG 379.A NE ASP 389.A OD2 no hydrogen 2.613 N/A ARG 379.A NH1 SER 381.A O no hydrogen 2.327 N/A ARG 379.A NH2 ASP 389.A OD2 no hydrogen 3.292 N/A LEU 383.A N ASP 342.A O no hydrogen 2.956 N/A LYS 384.A N GLU 387.A OE1 no hydrogen 2.665 N/A PHE 386.A N LYS 346.A O no hydrogen 2.824 N/A GLU 387.A N LYS 384.A O no hydrogen 3.053 N/A SER 391.A N ASP 389.A OD1 no hydrogen 3.245 N/A SER 391.A OG ASP 389.A OD1 no hydrogen 2.394 N/A TYR 395.A N TYR 411.A O no hydrogen 2.817 N/A GLN 396.A NE2 GLY 398.A O no hydrogen 3.609 N/A ALA 397.A N ASN 409.A O no hydrogen 3.050 N/A CYS 402.A SG TYR 395.A O no hydrogen 3.449 N/A CYS 402.A SG GLN 396.A OE1 no hydrogen 3.387 N/A CYS 402.A SG ASN 409.A O no hydrogen 3.845 N/A VAL 405.A N CYS 402.A O no hydrogen 3.396 N/A GLY 407.A N CYS 410.A O no hydrogen 3.103 N/A ASN 409.A N TYR 411.A OH no hydrogen 3.401 N/A CYS 410.A N GLY 407.A O no hydrogen 2.963 N/A CYS 410.A SG ASN 409.A O no hydrogen 3.272 N/A TYR 411.A N TYR 395.A O no hydrogen 3.212 N/A GLN 415.A N TYR 375.A O no hydrogen 2.924 N/A TYR 417.A N TYR 373.A O no hydrogen 2.988 N/A TYR 417.A OH GLU 328.A OE2 no hydrogen 2.705 N/A THR 422.A OG1 THR 422.A O no hydrogen 2.312 N/A ASN 423.A ND2 TYR 427.A O no hydrogen 3.373 N/A GLN 428.A NE2 ASN 423.A O no hydrogen 2.502 N/A TYR 430.A N ILE 324.A O no hydrogen 2.891 N/A ARG 431.A N TRP 358.A O no hydrogen 2.944 N/A ARG 431.A NE ASP 364.A OD2 no hydrogen 2.853 N/A ARG 431.A NH1 ALA 266.A O no hydrogen 3.309 N/A ARG 431.A NH2 ASP 364.A OD2 no hydrogen 3.340 N/A VAL 432.A N PHE 322.A O no hydrogen 2.957 N/A VAL 433.A N ILE 356.A O no hydrogen 2.939 N/A VAL 434.A N ASP 320.A O no hydrogen 2.900 N/A LEU 435.A N CYS 354.A O no hydrogen 2.889 N/A SER 436.A N TYR 318.A O no hydrogen 2.896 N/A GLU 438.A N ASN 316.A O no hydrogen 2.891 N/A THR 445.A OG1 THR 315.A O no hydrogen 2.716 N/A THR 445.A OG1 ALA 444.A O no hydrogen 2.137 N/A CYS 447.A SG THR 445.A O no hydrogen 2.798 N/A GLY 448.A N LEU 312.A O no hydrogen 3.159 N/A ASN 458.A N LEU 474.A O no hydrogen 2.882 N/A VAL 461.A N GLY 472.A O no hydrogen 2.922 N/A PHE 463.A N GLY 470.A O no hydrogen 2.915 N/A ASN 464.A ND2 THR 469.A OG1 no hydrogen 3.069 N/A PHE 465.A N LEU 468.A O no hydrogen 2.863 N/A ASN 466.A ND2 ASN 466.A O no hydrogen 2.408 N/A GLY 467.A N ASN 464.A OD1 no hydrogen 3.442 N/A LEU 468.A N PHE 465.A O no hydrogen 2.930 N/A GLY 470.A N PHE 463.A O no hydrogen 2.956 N/A GLY 472.A N VAL 461.A O no hydrogen 2.917 N/A VAL 473.A N THR 510.A O no hydrogen 3.076 N/A THR 475.A N ASP 508.A O no hydrogen 3.001 N/A THR 475.A OG1 LEU 474.A O no hydrogen 3.477 N/A SER 477.A N ILE 506.A O no hydrogen 3.214 N/A SER 477.A OG ASP 508.A OD1 no hydrogen 3.075 N/A LYS 479.A N SER 477.A OG no hydrogen 3.004 N/A LEU 482.A N GLN 485.A OE1 no hydrogen 2.795 N/A PHE 484.A N LEU 482.A O no hydrogen 2.474 N/A GLN 485.A N LEU 482.A O no hydrogen 2.841 N/A GLY 488.A N ALA 497.A O no hydrogen 2.990 N/A ASP 490.A N THR 494.A O no hydrogen 2.995 N/A ASP 493.A N ASP 490.A O no hydrogen 2.952 N/A ASP 496.A N GLY 488.A O no hydrogen 2.969 N/A ALA 497.A N GLY 488.A O no hydrogen 3.424 N/A VAL 498.A N LEU 507.A O no hydrogen 2.924 N/A ARG 499.A NH1 LEU 482.A O no hydrogen 3.567 N/A ASP 500.A N GLU 505.A O no hydrogen 2.983 N/A GLN 502.A NE2 PHE 251.A O no hydrogen 2.407 N/A THR 503.A OG1 GLU 505.A OE2 no hydrogen 2.979 N/A LEU 504.A N ASP 500.A O no hydrogen 2.659 N/A LEU 507.A N VAL 498.A O no hydrogen 2.885 N/A ASP 508.A N THR 475.A O no hydrogen 2.871 N/A ILE 509.A N ASP 496.A O no hydrogen 2.934 N/A THR 510.A N VAL 473.A O no hydrogen 3.209 N/A THR 510.A OG1 PRO 511.A O no hydrogen 3.206 N/A GLY 515.A N PHE 240.A O no hydrogen 3.247 N/A VAL 517.A N SER 238.A O no hydrogen 3.124 N/A SER 518.A N LEU 533.A O no hydrogen 2.927 N/A VAL 519.A N TYR 235.A O no hydrogen 2.639 N/A ILE 520.A N ALA 531.A O no hydrogen 2.848 N/A THR 521.A N GLY 233.A O no hydrogen 3.290 N/A GLY 523.A N THR 521.A OG1 no hydrogen 2.905 N/A THR 524.A N VAL 230.A O no hydrogen 2.389 N/A THR 524.A OG1 VAL 230.A O no hydrogen 2.941 N/A THR 526.A N GLY 523.A O no hydrogen 2.932 N/A SER 527.A N GLY 523.A O no hydrogen 3.135 N/A GLN 529.A N SER 527.A OG no hydrogen 3.029 N/A ALA 531.A N ILE 520.A O no hydrogen 2.953 N/A VAL 532.A N ILE 555.A O no hydrogen 2.913 N/A LEU 533.A N SER 518.A O no hydrogen 2.893 N/A TYR 534.A N CYS 553.A O no hydrogen 2.909 N/A GLN 535.A N GLY 516.A O no hydrogen 2.981 N/A ASP 536.A N ALA 551.A O no hydrogen 3.144 N/A GLU 541.A N ASN 538.A O no hydrogen 3.185 N/A ASN 545.A N SER 544.A OG no hydrogen 2.481 N/A PHE 547.A N LEU 554.A O no hydrogen 3.007 N/A GLN 548.A NE2 ASN 538.A OD1 no hydrogen 3.080 N/A THR 549.A N GLY 552.A O no hydrogen 2.851 N/A GLY 552.A N THR 549.A O no hydrogen 3.292 N/A CYS 553.A N TYR 534.A O no hydrogen 2.911 N/A LEU 554.A N PHE 547.A O no hydrogen 2.907 N/A ILE 555.A N VAL 532.A O no hydrogen 2.912 N/A GLY 556.A N ASN 545.A O no hydrogen 3.175 N/A GLU 558.A N ILE 583.A O no hydrogen 2.887 N/A VAL 560.A N ALA 585.A O no hydrogen 3.260 N/A ILE 568.A N ALA 576.A O no hydrogen 3.141 N/A ILE 570.A N ILE 574.A O no hydrogen 2.914 N/A GLY 571.A N ILE 574.A O no hydrogen 3.039 N/A ILE 574.A N GLY 571.A O no hydrogen 2.929 N/A CYS 575.A N TYR 586.A O no hydrogen 3.093 N/A ALA 576.A N ILE 568.A O no hydrogen 2.932 N/A SER 577.A N ILE 584.A O no hydrogen 3.109 N/A SER 577.A OG ASP 567.A OD2 no hydrogen 2.221 N/A GLN 579.A NE2 TYR 564.A OH no hydrogen 3.235 N/A GLN 579.A NE2 THR 580.A OG1 no hydrogen 2.810 N/A SER 582.A OG GLU 558.A OE1 no hydrogen 2.935 N/A ILE 584.A N SER 577.A O no hydrogen 2.988 N/A ALA 585.A N GLU 558.A O no hydrogen 2.719 N/A TYR 586.A N CYS 575.A O no hydrogen 3.066 N/A TYR 586.A OH GLU 565.A O no hydrogen 3.262 N/A MET 588.A N GLY 573.A O no hydrogen 3.134 N/A SER 589.A N TYR 564.A O no hydrogen 2.812 N/A SER 589.A OG TYR 564.A O no hydrogen 3.360 N/A ASN 601.A N SER 599.A OG no hydrogen 3.305 N/A ASN 601.A ND2 SER 599.A OG no hydrogen 3.391 N/A ILE 603.A N PHE 935.A O no hydrogen 2.983 N/A ILE 605.A N LYS 933.A O no hydrogen 2.911 N/A THR 607.A N GLN 931.A O no hydrogen 3.137 N/A THR 607.A OG1 GLN 931.A O no hydrogen 2.498 N/A ASN 608.A N ALA 930.A O no hydrogen 2.947 N/A THR 610.A N VAL 928.A O no hydrogen 2.871 N/A SER 612.A N THR 926.A O no hydrogen 2.967 N/A THR 614.A N HIS 924.A O no hydrogen 2.953 N/A GLU 616.A N PHE 922.A O no hydrogen 2.916 N/A LEU 618.A N VAL 920.A O no hydrogen 2.983 N/A VAL 620.A N HIS 918.A O no hydrogen 2.858 N/A SER 621.A OG HIS 918.A ND1 no hydrogen 3.148 N/A MET 622.A N GLN 665.A OE1 no hydrogen 3.074 N/A LYS 624.A NZ ASP 666.A OD1 no hydrogen 3.399 N/A LYS 624.A NZ ASP 666.A OD2 no hydrogen 3.096 N/A LYS 624.A NZ PRO 726.A O no hydrogen 3.102 N/A THR 625.A OG1 TYR 867.A OH no hydrogen 3.372 N/A SER 626.A N THR 723.A O no hydrogen 2.802 N/A ASP 628.A N GLY 721.A O no hydrogen 3.037 N/A TYR 632.A N ASP 628.A O no hydrogen 2.957 N/A TYR 632.A OH LEU 822.A O no hydrogen 2.828 N/A ILE 633.A N CYS 629.A O no hydrogen 2.984 N/A SER 637.A N GLY 635.A O no hydrogen 2.981 N/A THR 638.A OG1 GLU 639.A OE2 no hydrogen 3.106 N/A SER 641.A OG SER 637.A O no hydrogen 3.270 N/A LEU 644.A N CYS 640.A O no hydrogen 2.898 N/A LEU 645.A N SER 641.A O no hydrogen 2.940 N/A GLN 646.A N LEU 643.A O no hydrogen 3.266 N/A TYR 647.A N LEU 644.A O no hydrogen 3.104 N/A GLN 653.A N SER 649.A O no hydrogen 3.321 N/A GLN 653.A NE2 SER 649.A O no hydrogen 3.441 N/A ASN 655.A N CYS 651.A O no hydrogen 3.252 N/A ASN 655.A ND2 CYS 651.A O no hydrogen 2.941 N/A ARG 656.A N THR 652.A O no hydrogen 3.021 N/A ALA 657.A N GLN 653.A O no hydrogen 2.925 N/A LEU 658.A N LEU 654.A O no hydrogen 2.979 N/A THR 659.A N ASN 655.A O no hydrogen 2.956 N/A THR 659.A OG1 ASN 655.A O no hydrogen 2.863 N/A GLY 660.A N ARG 656.A O no hydrogen 3.027 N/A ILE 661.A N ALA 657.A O no hydrogen 3.405 N/A ALA 662.A N LEU 658.A O no hydrogen 3.275 N/A VAL 663.A N THR 659.A O no hydrogen 3.012 N/A GLU 664.A N GLY 660.A O no hydrogen 3.004 N/A GLN 665.A N ILE 661.A O no hydrogen 3.258 N/A GLN 665.A NE2 ILE 661.A O no hydrogen 2.864 N/A GLN 665.A NE2 GLU 664.A OE1 no hydrogen 2.978 N/A LYS 667.A NZ ASN 668.A OD1 no hydrogen 3.518 N/A ASN 668.A N GLU 664.A O no hydrogen 2.996 N/A ASN 668.A ND2 VAL 620.A O no hydrogen 3.312 N/A ASN 668.A ND2 GLN 665.A OE1 no hydrogen 3.655 N/A THR 669.A OG1 GLN 665.A O no hydrogen 3.390 N/A GLN 670.A N ASP 666.A O no hydrogen 2.972 N/A GLU 671.A N LYS 667.A O no hydrogen 2.945 N/A VAL 672.A N ASN 668.A O no hydrogen 3.083 N/A PHE 673.A N THR 669.A O no hydrogen 2.986 N/A ALA 674.A N GLN 670.A O no hydrogen 3.180 N/A GLN 675.A NE2 GLU 671.A O no hydrogen 3.383 N/A GLN 675.A NE2 ALA 886.A O no hydrogen 3.210 N/A LYS 677.A NZ GLY 755.A O no hydrogen 3.511 N/A LYS 686.A NZ PRO 683.A O no hydrogen 3.428 N/A PHE 691.A N PHE 688.A O no hydrogen 3.384 N/A ASN 692.A N ASN 792.A OD1 no hydrogen 3.300 N/A SER 694.A OG ASN 692.A OD1 no hydrogen 3.542 N/A GLN 695.A NE2 GLN 799.A OE1 no hydrogen 2.969 N/A ILE 696.A N PHE 693.A O no hydrogen 3.137 N/A LEU 697.A N PHE 693.A O no hydrogen 3.122 N/A ASP 699.A N ARG 706.A O no hydrogen 2.932 N/A SER 701.A OG SER 701.A O no hydrogen 2.349 N/A LYS 702.A NZ SER 701.A O no hydrogen 3.061 N/A ARG 706.A NE ASP 711.A OD1 no hydrogen 3.156 N/A SER 707.A N GLU 710.A OE1 no hydrogen 3.190 N/A SER 707.A OG GLU 710.A OE1 no hydrogen 3.151 N/A GLU 710.A N SER 707.A OG no hydrogen 3.370 N/A ASP 711.A N SER 707.A O no hydrogen 2.872 N/A LEU 712.A N PHE 708.A O no hydrogen 3.012 N/A LEU 713.A N ILE 709.A O no hydrogen 2.983 N/A PHE 714.A N GLU 710.A O no hydrogen 3.322 N/A GLY 721.A N PHE 719.A O no hydrogen 2.819 N/A THR 723.A N SER 626.A O no hydrogen 2.930 N/A LEU 725.A N LYS 624.A O no hydrogen 2.895 N/A ILE 734.A N THR 730.A O no hydrogen 3.286 N/A ALA 735.A N ASP 731.A O no hydrogen 2.958 N/A GLN 736.A N GLU 732.A O no hydrogen 2.935 N/A TYR 737.A N MET 733.A O no hydrogen 2.930 N/A THR 738.A N ILE 734.A O no hydrogen 2.986 N/A THR 738.A OG1 GLU 710.A OE2 no hydrogen 3.157 N/A THR 738.A OG1 ALA 735.A O no hydrogen 2.889 N/A SER 739.A N ALA 735.A O no hydrogen 3.026 N/A SER 739.A OG GLN 736.A O no hydrogen 3.304 N/A ALA 740.A N GLN 736.A O no hydrogen 3.420 N/A LEU 741.A N TYR 737.A O no hydrogen 3.038 N/A LEU 742.A N THR 738.A O no hydrogen 2.986 N/A ALA 743.A N SER 739.A O no hydrogen 2.972 N/A GLY 744.A N ALA 740.A O no hydrogen 2.974 N/A THR 745.A N LEU 741.A O no hydrogen 3.279 N/A THR 745.A OG1 LEU 741.A O no hydrogen 2.825 N/A ILE 746.A N LEU 742.A O no hydrogen 3.000 N/A THR 747.A N ALA 743.A O no hydrogen 3.287 N/A THR 747.A OG1 ALA 743.A O no hydrogen 3.260 N/A SER 748.A N GLY 744.A O no hydrogen 2.931 N/A SER 748.A OG GLY 744.A O no hydrogen 3.564 N/A GLY 749.A N THR 745.A O no hydrogen 3.192 N/A THR 751.A N SER 748.A O no hydrogen 3.275 N/A THR 751.A OG1 SER 748.A O no hydrogen 3.093 N/A THR 751.A OG1 LEU 758.A O no hydrogen 3.464 N/A ALA 754.A N THR 751.A O no hydrogen 3.249 N/A LEU 758.A N THR 751.A OG1 no hydrogen 2.931 N/A GLN 759.A N GLN 759.A OE1 no hydrogen 2.989 N/A ILE 760.A N THR 747.A O no hydrogen 3.391 N/A GLN 765.A N PRO 761.A O no hydrogen 3.041 N/A MET 766.A N PHE 762.A O no hydrogen 2.902 N/A ALA 767.A N ALA 763.A O no hydrogen 2.927 N/A TYR 768.A N MET 764.A O no hydrogen 2.950 N/A ARG 769.A N GLN 765.A O no hydrogen 3.024 N/A ARG 769.A NH1 LEU 909.A O no hydrogen 3.017 N/A PHE 770.A N MET 766.A O no hydrogen 2.993 N/A ASN 771.A N ALA 767.A O no hydrogen 3.312 N/A GLY 772.A N TYR 768.A O no hydrogen 3.304 N/A GLY 772.A N ARG 769.A O no hydrogen 3.096 N/A GLY 774.A N ASN 771.A O no hydrogen 3.142 N/A VAL 775.A N PHE 770.A O no hydrogen 2.973 N/A VAL 779.A N THR 776.A O no hydrogen 3.072 N/A LEU 780.A N GLN 777.A O no hydrogen 3.377 N/A GLU 782.A N ASN 778.A O no hydrogen 2.948 N/A ASN 783.A N LEU 780.A O no hydrogen 3.170 N/A ILE 787.A N ASN 783.A O no hydrogen 2.935 N/A ALA 788.A N GLN 784.A O no hydrogen 2.926 N/A ASN 789.A N LYS 785.A O no hydrogen 2.939 N/A GLN 790.A N LEU 786.A O no hydrogen 2.965 N/A PHE 791.A N ILE 787.A O no hydrogen 3.004 N/A ASN 792.A N ALA 788.A O no hydrogen 2.964 N/A ASN 792.A ND2 GLY 690.A O no hydrogen 3.413 N/A SER 793.A N ASN 789.A O no hydrogen 2.930 N/A SER 793.A OG ASN 789.A O no hydrogen 2.853 N/A ALA 794.A N GLN 790.A O no hydrogen 2.983 N/A ILE 795.A N PHE 791.A O no hydrogen 2.923 N/A GLY 796.A N ASN 792.A O no hydrogen 2.980 N/A LYS 797.A N SER 793.A O no hydrogen 2.975 N/A ILE 798.A N ILE 795.A O no hydrogen 3.256 N/A SER 801.A N LYS 797.A O no hydrogen 2.922 N/A LEU 802.A N GLN 799.A O no hydrogen 2.767 N/A SER 803.A N GLN 799.A O no hydrogen 2.560 N/A SER 803.A OG GLN 799.A O no hydrogen 3.014 N/A LYS 807.A NZ ILE 617.A O no hydrogen 2.996 N/A GLN 809.A N LEU 805.A O no hydrogen 3.234 N/A GLN 809.A NE2 ASN 813.A OD1 no hydrogen 3.613 N/A ASP 810.A N GLY 806.A O no hydrogen 2.921 N/A ASN 813.A N GLN 809.A O no hydrogen 2.888 N/A GLN 814.A N ASP 810.A O no hydrogen 2.885 N/A ASN 815.A N VAL 811.A O no hydrogen 3.018 N/A ALA 816.A N VAL 812.A O no hydrogen 2.965 N/A GLN 817.A N ASN 813.A O no hydrogen 2.907 N/A ALA 818.A N GLN 814.A O no hydrogen 2.970 N/A LEU 819.A N ASN 815.A O no hydrogen 2.994 N/A ASN 820.A N ALA 816.A O no hydrogen 2.974 N/A THR 821.A N GLN 817.A O no hydrogen 3.418 N/A THR 821.A OG1 GLN 817.A O no hydrogen 3.200 N/A LYS 824.A N ASN 820.A O no hydrogen 2.994 N/A LYS 824.A NZ ASN 820.A OD1 no hydrogen 3.366 N/A GLN 825.A N THR 821.A O no hydrogen 2.962 N/A GLN 825.A NE2 SER 863.A OG no hydrogen 3.155 N/A LEU 826.A N VAL 823.A O no hydrogen 3.179 N/A SER 827.A N LYS 824.A O no hydrogen 3.422 N/A SER 827.A OG LYS 824.A O no hydrogen 3.492 N/A SER 827.A OG SER 827.A O no hydrogen 2.457 N/A ALA 832.A N ASN 829.A O no hydrogen 3.204 N/A VAL 836.A N SER 834.A OG no hydrogen 3.211 N/A ILE 840.A N VAL 836.A O no hydrogen 3.434 N/A SER 842.A N ASN 838.A O no hydrogen 2.701 N/A SER 842.A OG ASN 838.A O no hydrogen 3.278 N/A ARG 843.A NE ASP 839.A O no hydrogen 2.979 N/A GLU 848.A N ASP 845.A O no hydrogen 2.716 N/A ALA 849.A N ASP 845.A O no hydrogen 3.087 N/A GLU 850.A N PRO 846.A O no hydrogen 2.864 N/A ILE 853.A N ALA 849.A O no hydrogen 2.927 N/A ASP 854.A N GLU 850.A O no hydrogen 2.983 N/A ARG 855.A N VAL 851.A O no hydrogen 3.486 N/A ARG 855.A NE PHE 830.A O no hydrogen 3.449 N/A ARG 855.A NE GLY 831.A O no hydrogen 2.918 N/A ARG 855.A NH2 PHE 830.A O no hydrogen 3.461 N/A LEU 856.A N GLN 852.A O no hydrogen 3.046 N/A ILE 857.A N ILE 853.A O no hydrogen 2.915 N/A THR 858.A N ASP 854.A O no hydrogen 2.956 N/A THR 858.A OG1 ASP 854.A O no hydrogen 3.252 N/A GLY 859.A N ARG 855.A O no hydrogen 3.060 N/A ARG 860.A N LEU 856.A O no hydrogen 2.999 N/A ARG 860.A NH1 ILE 633.A O no hydrogen 2.845 N/A ARG 860.A NH2 LEU 826.A O no hydrogen 3.262 N/A LEU 861.A N ILE 857.A O no hydrogen 2.915 N/A GLN 862.A N THR 858.A O no hydrogen 3.048 N/A SER 863.A N GLY 859.A O no hydrogen 3.053 N/A SER 863.A OG GLY 859.A O no hydrogen 2.993 N/A LEU 864.A N ARG 860.A O no hydrogen 3.380 N/A GLN 865.A N LEU 861.A O no hydrogen 3.036 N/A THR 866.A N GLN 862.A O no hydrogen 3.041 N/A THR 866.A OG1 GLN 862.A O no hydrogen 2.892 N/A TYR 867.A N SER 863.A O no hydrogen 3.025 N/A TYR 867.A OH THR 625.A OG1 no hydrogen 3.372 N/A VAL 868.A N LEU 864.A O no hydrogen 2.984 N/A THR 869.A N GLN 865.A O no hydrogen 2.967 N/A THR 869.A OG1 GLN 865.A O no hydrogen 3.384 N/A GLN 870.A N THR 866.A O no hydrogen 3.110 N/A GLN 871.A N TYR 867.A O no hydrogen 3.000 N/A LEU 872.A N VAL 868.A O no hydrogen 2.970 N/A ILE 873.A N THR 869.A O no hydrogen 3.039 N/A ARG 874.A N GLN 870.A O no hydrogen 2.899 N/A ARG 874.A NH1 ASN 815.A OD1 no hydrogen 3.372 N/A ALA 875.A N GLN 871.A O no hydrogen 2.929 N/A ARG 879.A N ALA 875.A O no hydrogen 2.987 N/A ARG 879.A NH1 GLU 664.A OE2 no hydrogen 3.114 N/A ALA 880.A N ALA 876.A O no hydrogen 3.361 N/A SER 881.A OG PRO 619.A O no hydrogen 3.336 N/A ALA 882.A N ILE 878.A O no hydrogen 2.978 N/A ASN 883.A N ARG 879.A O no hydrogen 2.955 N/A LEU 884.A N ALA 880.A O no hydrogen 3.349 N/A ALA 885.A N SER 881.A O no hydrogen 2.997 N/A ALA 886.A N ALA 882.A O no hydrogen 2.972 N/A THR 887.A N ASN 883.A O no hydrogen 3.245 N/A THR 887.A OG1 ASN 883.A O no hydrogen 3.146 N/A LYS 888.A N LEU 884.A O no hydrogen 2.976 N/A LYS 888.A NZ PHE 902.A O no hydrogen 3.031 N/A MET 889.A N ALA 885.A O no hydrogen 2.889 N/A SER 890.A N ALA 886.A O no hydrogen 3.009 N/A SER 890.A OG GLN 675.A OE1 no hydrogen 3.090 N/A GLU 891.A N THR 887.A O no hydrogen 2.907 N/A CYS 892.A N LYS 888.A O no hydrogen 2.825 N/A CYS 892.A SG PHE 902.A O no hydrogen 4.035 N/A LEU 894.A N MET 889.A O no hydrogen 3.365 N/A GLN 896.A NE2 ARG 769.A O no hydrogen 3.160 N/A GLN 896.A NE2 HIS 908.A O no hydrogen 3.064 N/A SER 897.A N HIS 908.A ND1 no hydrogen 3.307 N/A ARG 899.A NH1 GLU 891.A OE1 no hydrogen 3.188 N/A PHE 902.A N ARG 899.A O no hydrogen 3.471 N/A TYR 907.A N TYR 927.A O no hydrogen 3.129 N/A HIS 908.A NE2 SER 911.A OG no hydrogen 2.828 N/A LEU 909.A N VAL 925.A O no hydrogen 2.843 N/A MET 910.A N VAL 925.A O no hydrogen 3.123 N/A SER 911.A OG HIS 908.A NE2 no hydrogen 2.828 N/A SER 911.A OG HIS 924.A ND1 no hydrogen 2.730 N/A PHE 912.A N LEU 923.A O no hydrogen 2.925 N/A GLN 914.A N VAL 921.A O no hydrogen 2.874 N/A GLN 914.A NE2 SER 707.A OG no hydrogen 2.988 N/A SER 915.A N GLU 710.A OE2 no hydrogen 2.965 N/A SER 915.A OG GLU 710.A OE2 no hydrogen 2.964 N/A ALA 916.A N GLY 919.A O no hydrogen 2.979 N/A HIS 918.A ND1 SER 621.A OG no hydrogen 3.148 N/A GLY 919.A N ALA 916.A O no hydrogen 3.400 N/A VAL 920.A N LEU 618.A O no hydrogen 2.964 N/A VAL 921.A N GLN 914.A O no hydrogen 2.884 N/A PHE 922.A N GLU 616.A O no hydrogen 2.843 N/A LEU 923.A N PHE 912.A O no hydrogen 2.891 N/A HIS 924.A N THR 614.A O no hydrogen 2.874 N/A HIS 924.A ND1 SER 911.A OG no hydrogen 2.730 N/A HIS 924.A NE2 GLU 616.A OE2 no hydrogen 3.277 N/A VAL 925.A N MET 910.A O no hydrogen 2.786 N/A THR 926.A N SER 612.A O no hydrogen 2.942 N/A THR 926.A OG1 LYS 905.A O no hydrogen 2.728 N/A TYR 927.A N TYR 907.A O no hydrogen 2.998 N/A VAL 928.A N THR 610.A O no hydrogen 2.947 N/A ALA 930.A N ASN 608.A O no hydrogen 2.900 N/A GLU 932.A N GLU 932.A OE2 no hydrogen 2.759 N/A LYS 933.A N ILE 605.A O no hydrogen 2.928 N/A PHE 935.A N ILE 603.A O no hydrogen 2.857 N/A THR 937.A N ASN 601.A O no hydrogen 3.051 N/A THR 937.A OG1 PHE 955.A O no hydrogen 2.773 N/A ILE 941.A N HIS 948.A O no hydrogen 2.966 N/A CYS 942.A N VAL 993.A O no hydrogen 2.751 N/A CYS 942.A SG ASN 994.A OD1 no hydrogen 3.898 N/A HIS 943.A N LYS 946.A O no hydrogen 2.948 N/A LYS 946.A N HIS 943.A O no hydrogen 2.926 N/A ALA 947.A N GLY 984.A O no hydrogen 3.247 N/A HIS 948.A N ILE 941.A O no hydrogen 2.862 N/A PHE 949.A N PHE 981.A O no hydrogen 2.939 N/A ARG 951.A N ASN 979.A O no hydrogen 3.014 N/A ARG 951.A NE THR 980.A O no hydrogen 2.914 N/A VAL 954.A N THR 965.A O no hydrogen 2.897 N/A VAL 956.A N PHE 963.A O no hydrogen 2.901 N/A SER 957.A N THR 936.A O no hydrogen 2.926 N/A SER 957.A OG HIS 961.A O no hydrogen 3.226 N/A ASN 958.A N HIS 961.A O no hydrogen 3.200 N/A GLY 959.A N SER 957.A OG no hydrogen 3.331 N/A THR 960.A N ASN 958.A OD1 no hydrogen 3.238 N/A THR 960.A OG1 HIS 961.A ND1 no hydrogen 3.097 N/A HIS 961.A N ASN 958.A OD1 no hydrogen 3.213 N/A PHE 963.A N VAL 956.A O no hydrogen 2.883 N/A VAL 964.A N GLN 973.A O no hydrogen 3.058 N/A THR 965.A N VAL 954.A O no hydrogen 2.975 N/A THR 965.A OG1 GLN 966.A O no hydrogen 3.051 N/A TYR 970.A N PRO 606.A O no hydrogen 2.879 N/A GLU 971.A N THR 965.A OG1 no hydrogen 3.009 N/A GLN 973.A N VAL 964.A O no hydrogen 3.004 N/A THR 976.A OG1 ASP 978.A OD1 no hydrogen 3.421 N/A THR 977.A N TYR 998.A O no hydrogen 3.118 N/A ASP 978.A N THR 976.A OG1 no hydrogen 3.029 N/A THR 980.A OG1 THR 976.A O no hydrogen 2.858 N/A PHE 981.A N PHE 949.A O no hydrogen 2.929 N/A SER 983.A N ALA 947.A O no hydrogen 3.112 N/A ASP 987.A N ASN 985.A O no hydrogen 2.993 N/A ASN 995.A ND2 THR 996.A O no hydrogen 3.280 N/A TYR 998.A N ILE 975.A O no hydrogen 2.993 N/A LEU 1001.A N ASP 999.A OD1 no hydrogen 3.360 N/A GLU 1004.A N PRO 1000.A O no hydrogen 3.027 N/A GLU 1004.A N LEU 1001.A O no hydrogen 2.831 N/A LEU 1005.A N LEU 1001.A O no hydrogen 2.912 N/A