Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h3v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 9.A N ASP 6.A OD1 no hydrogen 2.756 N/A GLU 9.A N ASP 6.A OD2 no hydrogen 3.103 N/A ILE 10.A N LEU 7.A O no hydrogen 3.188 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 1.715 N/A GLN 11.A NE2 ILE 8.A O no hydrogen 2.515 N/A SER 13.A N GLU 9.A O no hydrogen 3.341 N/A SER 14.A N ILE 10.A O no hydrogen 3.350 N/A SER 14.A OG ILE 10.A O no hydrogen 3.141 N/A SER 14.A OG GLN 11.A O no hydrogen 1.809 N/A PHE 15.A N GLN 11.A O no hydrogen 1.930 N/A ARG 16.A N ARG 12.A O no hydrogen 2.105 N/A TRP 17.A N SER 13.A O no hydrogen 1.876 N/A PHE 18.A N SER 14.A O no hydrogen 3.103 N/A LEU 19.A N ARG 16.A O no hydrogen 2.561 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.138 N/A GLU 21.A N TRP 17.A O no hydrogen 2.736 N/A GLU 21.A N PHE 18.A O no hydrogen 2.736 N/A GLY 22.A N PHE 18.A O no hydrogen 1.855 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 1.888 N/A LEU 27.A N LEU 23.A O no hydrogen 3.328 N/A ASN 28.A N ILE 24.A O no hydrogen 2.751 N/A SER 29.A N ASN 28.A OD1 no hydrogen 2.624 N/A SER 29.A OG GLU 25.A O no hydrogen 3.389 N/A SER 29.A OG GLU 26.A O no hydrogen 2.555 N/A PHE 30.A N GLU 26.A O no hydrogen 3.228 N/A ILE 33.A N HIS 43.A ND1 no hydrogen 3.253 N/A THR 34.A OG1 ASP 35.A O no hydrogen 3.519 N/A THR 34.A OG1 ASP 35.A OD1 no hydrogen 2.628 N/A THR 34.A OG1 GLY 38.A O no hydrogen 2.425 N/A ASP 35.A N LEU 40.A O no hydrogen 2.499 N/A TYR 36.A N THR 329.A OG1 no hydrogen 2.408 N/A GLY 38.A N ASP 35.A OD1 no hydrogen 2.834 N/A LEU 40.A N ASP 35.A OD2 no hydrogen 2.950 N/A LEU 42.A N ILE 33.A O no hydrogen 2.642 N/A HIS 43.A N THR 76.A OG1 no hydrogen 2.837 N/A HIS 43.A NE2 GLU 41.A OE1 no hydrogen 2.819 N/A GLY 46.A N PHE 44.A O no hydrogen 2.537 N/A LYS 50.A N TYR 73.A O no hydrogen 3.452 N/A LYS 50.A NZ ASN 48.A O no hydrogen 2.690 N/A SER 57.A OG TYR 56.A O no hydrogen 2.689 N/A SER 57.A OG GLU 59.A OE2 no hydrogen 2.651 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.688 N/A GLU 60.A N SER 57.A OG no hydrogen 2.930 N/A LYS 62.A N VAL 58.A O no hydrogen 2.508 N/A ARG 64.A N GLU 60.A O no hydrogen 3.375 N/A ARG 64.A NH2 GLU 804.A OE1 no hydrogen 2.776 N/A ASP 65.A N LYS 62.A O no hydrogen 2.722 N/A SER 66.A N ALA 61.A O no hydrogen 2.975 N/A THR 67.A N SER 66.A OG no hydrogen 2.596 N/A THR 67.A OG1 TYR 68.A O no hydrogen 3.485 N/A TYR 68.A N ILE 106.A O no hydrogen 2.670 N/A VAL 70.A N LEU 96.A O no hydrogen 3.003 N/A VAL 74.A N GLU 90.A OE2 no hydrogen 2.493 N/A VAL 74.A N VAL 91.A O no hydrogen 3.236 N/A THR 76.A N GLN 89.A O no hydrogen 3.182 N/A THR 76.A OG1 HIS 43.A O no hydrogen 2.901 N/A LEU 79.A N ASP 85.A O no hydrogen 2.634 N/A ASN 80.A ND2 GLU 82.A OE1 no hydrogen 1.909 N/A ASN 80.A ND2 THR 83.A O no hydrogen 1.903 N/A GLU 82.A N LYS 39.A O no hydrogen 3.247 N/A ASP 85.A N THR 83.A O no hydrogen 2.079 N/A LYS 87.A NZ ASP 85.A OD2 no hydrogen 3.171 N/A VAL 91.A N VAL 74.A O no hydrogen 2.157 N/A ILE 93.A N MET 72.A O no hydrogen 2.423 N/A THR 100.A N THR 104.A O no hydrogen 2.436 N/A THR 100.A OG1 LEU 98.A O no hydrogen 3.430 N/A THR 100.A OG1 THR 104.A OG1 no hydrogen 2.844 N/A GLY 103.A N THR 100.A O no hydrogen 2.831 N/A ILE 107.A N ALA 110.A O no hydrogen 2.513 N/A GLY 109.A N ASP 65.A O no hydrogen 2.858 N/A ALA 110.A N ASN 108.A O no hydrogen 2.122 N/A GLN 117.A N ARG 303.A O no hydrogen 3.194 N/A GLN 117.A NE2 ARG 301.A O no hydrogen 3.127 N/A ILE 118.A N SER 380.A O no hydrogen 2.201 N/A VAL 119.A N ARG 301.A O no hydrogen 2.459 N/A SER 121.A OG ASN 299.A O no hydrogen 3.039 N/A GLY 123.A N ILE 143.A O no hydrogen 2.586 N/A GLY 134.A N ASN 133.A OD1 no hydrogen 2.172 N/A ARG 135.A NH2 ARG 156.A O no hydrogen 2.196 N/A THR 137.A OG1 GLU 129.A O no hydrogen 2.068 N/A THR 137.A OG1 GLU 129.A OE2 no hydrogen 3.043 N/A TYR 138.A N THR 154.A OG1 no hydrogen 2.493 N/A SER 139.A N LYS 127.A O no hydrogen 3.023 N/A SER 139.A OG GLU 129.A OE2 no hydrogen 2.344 N/A SER 139.A OG TYR 138.A O no hydrogen 2.225 N/A ALA 140.A N PHE 152.A O no hydrogen 2.163 N/A SER 141.A OG TYR 125.A O no hydrogen 1.918 N/A ILE 143.A N GLY 123.A O no hydrogen 2.654 N/A ASN 145.A N LEU 246.A O no hydrogen 2.677 N/A ASN 145.A ND2 LEU 246.A O no hydrogen 2.728 N/A LEU 150.A N LEU 142.A O no hydrogen 2.431 N/A LYS 151.A N ARG 163.A O no hydrogen 3.299 N/A PHE 152.A N ALA 140.A O no hydrogen 1.985 N/A THR 154.A OG1 TYR 138.A O no hydrogen 2.009 N/A ARG 156.A N THR 154.A O no hydrogen 2.622 N/A TRP 161.A NE1 ASP 155.A OD2 no hydrogen 2.572 N/A VAL 162.A N SER 171.A O no hydrogen 2.351 N/A ARG 163.A N LYS 151.A O no hydrogen 3.177 N/A LYS 166.A NZ ILE 164.A O no hydrogen 2.648 N/A LYS 166.A NZ ASP 165.A O no hydrogen 2.973 N/A THR 167.A OG1 LYS 166.A O no hydrogen 2.617 N/A SER 171.A N LYS 169.A O no hydrogen 2.489 N/A SER 171.A OG VAL 162.A O no hydrogen 3.013 N/A GLN 173.A NE2 GLU 209.A O no hydrogen 3.012 N/A LEU 176.A N GLN 173.A O no hydrogen 2.548 N/A GLY 180.A N GLU 210.A OE1 no hydrogen 3.042 N/A ASN 184.A N LEU 181.A O no hydrogen 2.873 N/A ASN 184.A ND2 LEU 181.A O no hydrogen 2.703 N/A PHE 187.A N ASN 184.A O no hydrogen 2.936 N/A ASP 188.A N GLU 185.A O no hydrogen 2.880 N/A ALA 189.A N GLU 185.A O no hydrogen 2.447 N/A LEU 190.A N GLU 185.A O no hydrogen 3.118 N/A ARG 191.A N ALA 189.A O no hydrogen 2.590 N/A TYR 195.A N ASP 158.A OD2 no hydrogen 2.983 N/A GLN 197.A N GLU 194.A O no hydrogen 2.687 N/A LYS 202.A NZ ALA 172.A O no hydrogen 3.388 N/A GLN 205.A NE2 SER 207.A OG no hydrogen 2.712 N/A GLU 208.A N GLU 209.A OE1 no hydrogen 2.990 N/A GLU 209.A N PHE 206.A O no hydrogen 2.676 N/A GLU 210.A N PHE 206.A O no hydrogen 2.795 N/A LEU 212.A N GLU 209.A O no hydrogen 2.636 N/A GLY 229.A N THR 226.A OG1 no hydrogen 2.802 N/A GLY 230.A N THR 226.A O no hydrogen 3.349 N/A GLN 231.A N VAL 227.A O no hydrogen 3.053 N/A GLN 232.A N LEU 228.A O no hydrogen 2.843 N/A GLN 232.A NE2 LEU 228.A O no hydrogen 3.186 N/A LEU 233.A N GLY 229.A O no hydrogen 2.872 N/A LEU 234.A N GLY 230.A O no hydrogen 2.754 N/A LEU 234.A N GLN 231.A O no hydrogen 2.383 N/A ASP 235.A N GLN 231.A O no hydrogen 3.071 N/A SER 236.A N GLN 232.A O no hydrogen 3.077 N/A SER 236.A N ASP 235.A OD1 no hydrogen 2.187 N/A PHE 238.A N LEU 234.A O no hydrogen 3.290 N/A PHE 239.A N ASP 235.A O no hydrogen 2.483 N/A ASP 240.A N PHE 238.A O no hydrogen 2.230 N/A ARG 243.A N ASP 240.A O no hydrogen 2.639 N/A TYR 244.A N PRO 241.A O no hydrogen 2.104 N/A TYR 244.A OH ALA 148.A O no hydrogen 2.613 N/A LEU 246.A N ARG 267.A O no hydrogen 2.465 N/A ARG 248.A NH2 TYR 433.A OH no hydrogen 3.468 N/A GLY 250.A N GLY 247.A O no hydrogen 1.922 N/A ARG 251.A N GLY 247.A O no hydrogen 2.986 N/A TYR 252.A N ARG 248.A O no hydrogen 2.946 N/A LYS 253.A N VAL 249.A O no hydrogen 2.688 N/A LEU 254.A N GLY 250.A O no hydrogen 2.621 N/A LYS 256.A N TYR 252.A O no hydrogen 2.934 N/A LYS 256.A N ASN 255.A OD1 no hydrogen 2.123 N/A LYS 256.A NZ TYR 252.A OH no hydrogen 2.118 N/A LYS 257.A N LYS 253.A O no hydrogen 2.850 N/A LEU 258.A N LEU 254.A O no hydrogen 2.713 N/A ARG 259.A N ASN 255.A O no hydrogen 1.984 N/A THR 265.A N PRO 263.A O no hydrogen 2.367 N/A THR 270.A OG1 SER 271.A OG no hydrogen 2.273 N/A SER 271.A OG THR 270.A OG1 no hydrogen 2.273 N/A GLY 272.A N THR 270.A OG1 no hydrogen 3.262 N/A ILE 274.A N ASP 273.A OD1 no hydrogen 2.121 N/A LEU 275.A N SER 271.A O no hydrogen 3.057 N/A ALA 276.A N GLY 272.A O no hydrogen 2.801 N/A ALA 277.A N ASP 273.A O no hydrogen 2.759 N/A VAL 278.A N LEU 275.A O no hydrogen 1.866 N/A ASP 279.A N LEU 275.A O no hydrogen 2.915 N/A TYR 280.A N ALA 276.A O no hydrogen 2.907 N/A TYR 280.A OH TYR 126.A OH no hydrogen 3.401 N/A LEU 281.A N ALA 277.A O no hydrogen 2.799 N/A ILE 282.A N VAL 278.A O no hydrogen 3.228 N/A ASN 283.A N ASP 279.A O no hydrogen 2.622 N/A LEU 284.A N TYR 280.A O no hydrogen 2.727 N/A GLU 285.A N LEU 281.A O no hydrogen 2.521 N/A TYR 286.A N ILE 282.A O no hydrogen 2.551 N/A ASP 287.A N LEU 284.A O no hydrogen 2.686 N/A ILE 288.A N ASN 283.A O no hydrogen 2.676 N/A ASP 295.A N ASN 299.A OD1 no hydrogen 2.626 N/A GLY 298.A N HIS 296.A ND1 no hydrogen 3.355 N/A ASN 299.A N HIS 296.A O no hydrogen 2.743 N/A ARG 300.A N HIS 296.A O no hydrogen 2.625 N/A ARG 300.A NH2 ILE 118.A O no hydrogen 2.971 N/A ARG 301.A NH1 TYR 433.A O no hydrogen 3.383 N/A ARG 301.A NH2 ASN 145.A OD1 no hydrogen 2.967 N/A ARG 303.A N GLN 117.A O no hydrogen 2.734 N/A SER 304.A OG GLU 307.A OE2 no hydrogen 3.447 N/A GLU 307.A N GLU 307.A OE2 no hydrogen 2.702 N/A LEU 308.A N SER 304.A O no hydrogen 3.096 N/A LEU 309.A N VAL 305.A O no hydrogen 2.530 N/A GLN 310.A N GLU 307.A O no hydrogen 2.648 N/A ASN 311.A N GLU 307.A O no hydrogen 2.521 N/A ARG 314.A N GLN 310.A O no hydrogen 3.157 N/A ARG 314.A NE GLN 310.A O no hydrogen 3.412 N/A VAL 315.A N ASN 311.A O no hydrogen 3.056 N/A GLY 316.A N GLN 312.A O no hydrogen 2.479 N/A LEU 317.A N VAL 313.A O no hydrogen 2.670 N/A ASN 318.A N ARG 314.A O no hydrogen 2.434 N/A ARG 319.A N VAL 315.A O no hydrogen 2.668 N/A LEU 320.A N GLY 316.A O no hydrogen 3.246 N/A GLU 321.A N LEU 317.A O no hydrogen 2.484 N/A ARG 322.A N ASN 318.A O no hydrogen 3.044 N/A ILE 323.A N ARG 319.A O no hydrogen 3.236 N/A ILE 324.A N LEU 320.A O no hydrogen 2.806 N/A ARG 325.A N GLU 321.A O no hydrogen 2.956 N/A GLU 326.A N ARG 322.A O no hydrogen 3.096 N/A ARG 327.A N ILE 323.A O no hydrogen 2.625 N/A MET 328.A N ILE 324.A O no hydrogen 2.361 N/A VAL 330.A N ARG 327.A O no hydrogen 3.041 N/A SER 331.A OG ASP 332.A OD1 no hydrogen 2.855 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.120 N/A ALA 339.A N THR 337.A OG1 no hydrogen 3.316 N/A SER 340.A N THR 337.A O no hydrogen 2.228 N/A LEU 341.A N THR 337.A O no hydrogen 2.887 N/A LYS 345.A N ASN 343.A OD1 no hydrogen 3.156 N/A LEU 347.A N PRO 344.A O no hydrogen 2.463 N/A ALA 349.A N LYS 345.A O no hydrogen 2.925 N/A ALA 350.A N PRO 346.A O no hydrogen 2.841 N/A ILE 351.A N LEU 347.A O no hydrogen 2.862 N/A LYS 352.A N VAL 348.A O no hydrogen 2.796 N/A GLU 353.A N ALA 349.A O no hydrogen 2.794 N/A GLU 353.A N ALA 350.A O no hydrogen 2.419 N/A PHE 354.A N ALA 350.A O no hydrogen 2.994 N/A PHE 355.A N ILE 351.A O no hydrogen 2.873 N/A GLY 356.A N LYS 352.A O no hydrogen 2.775 N/A SER 357.A N GLU 353.A O no hydrogen 2.195 N/A SER 358.A OG SER 358.A O no hydrogen 2.557 N/A SER 361.A OG VAL 113.A O no hydrogen 3.047 N/A SER 361.A OG GLN 362.A O no hydrogen 2.056 N/A GLN 362.A N VAL 113.A O no hydrogen 3.084 N/A GLN 366.A N ASN 623.A OD1 no hydrogen 2.847 N/A GLN 366.A NE2 GLU 111.A OE2 no hydrogen 3.292 N/A ASN 368.A ND2 GLN 537.A O no hydrogen 2.901 N/A GLU 372.A N ASN 368.A O no hydrogen 3.303 N/A LEU 373.A N PRO 369.A O no hydrogen 3.074 N/A THR 374.A N LEU 370.A O no hydrogen 2.938 N/A HIS 375.A N ALA 371.A O no hydrogen 2.642 N/A LYS 376.A N GLU 372.A O no hydrogen 3.063 N/A LYS 376.A N LEU 373.A O no hydrogen 2.076 N/A LYS 376.A NZ ARG 102.A O no hydrogen 3.206 N/A LYS 376.A NZ GLY 103.A O no hydrogen 2.603 N/A ARG 377.A N THR 374.A O no hydrogen 2.076 N/A ARG 377.A NH2 ALA 425.A O no hydrogen 2.717 N/A ARG 378.A NE HIS 375.A ND1 no hydrogen 2.903 N/A ARG 378.A NH2 GLU 411.A OE2 no hydrogen 3.295 N/A SER 380.A N ASN 116.A O no hydrogen 2.688 N/A GLY 386.A N GLY 383.A O no hydrogen 1.919 N/A LEU 387.A N ALA 381.A O no hydrogen 2.860 N/A ARG 389.A NE ARG 389.A O no hydrogen 3.509 N/A GLU 390.A N THR 388.A OG1 no hydrogen 2.892 N/A ARG 391.A N THR 388.A OG1 no hydrogen 2.180 N/A ALA 392.A N THR 388.A OG1 no hydrogen 2.723 N/A ARG 397.A N PHE 394.A O no hydrogen 1.888 N/A ARG 397.A NH1 ALA 418.A O no hydrogen 2.262 N/A ASP 398.A N PHE 394.A O no hydrogen 2.954 N/A SER 402.A OG HIS 400.A O no hydrogen 2.014 N/A HIS 403.A N HIS 400.A O no hydrogen 2.113 N/A ARG 406.A N HIS 403.A O no hydrogen 2.664 N/A ARG 406.A NE SER 402.A O no hydrogen 3.023 N/A ARG 406.A NH1 GLU 461.A O no hydrogen 2.685 N/A ARG 406.A NH2 GLU 461.A O no hydrogen 2.919 N/A ILE 407.A N HIS 403.A O no hydrogen 2.656 N/A CYS 408.A SG ILE 511.A O no hydrogen 2.814 N/A CYS 408.A SG THR 516.A OG1 no hydrogen 3.294 N/A THR 412.A OG1 GLU 411.A O no hydrogen 2.470 N/A ALA 418.A N GLY 415.A O no hydrogen 3.124 N/A SER 423.A OG CYS 408.A O no hydrogen 2.479 N/A THR 426.A OG1 VAL 509.A O no hydrogen 2.972 N/A HIS 427.A NE2 VAL 509.A O no hydrogen 2.938 N/A ALA 428.A N ALA 425.A O no hydrogen 2.667 N/A TYR 433.A N GLN 432.A OE1 no hydrogen 3.009 N/A GLY 434.A N ASN 431.A O no hydrogen 2.694 N/A GLU 437.A N ARG 429.A O no hydrogen 2.179 N/A THR 438.A N MET 457.A O no hydrogen 3.129 N/A THR 438.A OG1 THR 438.A O no hydrogen 2.635 N/A THR 438.A OG1 THR 458.A O no hydrogen 3.255 N/A THR 438.A OG1 THR 458.A OG1 no hydrogen 3.112 N/A ARG 441.A N VAL 504.A O no hydrogen 3.268 N/A GLU 444.A N ARG 447.A O no hydrogen 2.545 N/A ASN 445.A N VAL 443.A O no hydrogen 2.499 N/A ARG 447.A N GLU 444.A O no hydrogen 3.343 N/A ARG 449.A NE ASP 451.A OD1 no hydrogen 2.833 N/A ARG 449.A NH2 ASP 451.A OD1 no hydrogen 2.980 N/A ASP 451.A N VAL 448.A O no hydrogen 3.390 N/A GLN 452.A NE2 VAL 448.A O no hydrogen 2.835 N/A THR 458.A OG1 THR 438.A OG1 no hydrogen 3.112 N/A THR 458.A OG1 MET 457.A O no hydrogen 2.572 N/A GLU 461.A N THR 458.A O no hydrogen 3.206 N/A LEU 465.A N ASP 463.A OD1 no hydrogen 2.130 N/A ALA 468.A N TYR 503.A O no hydrogen 2.386 N/A ASP 475.A N TYR 479.A O no hydrogen 2.768 N/A TYR 479.A N ASN 477.A O no hydrogen 2.532 N/A ILE 481.A N PRO 473.A O no hydrogen 3.068 N/A VAL 485.A N THR 496.A O no hydrogen 2.775 N/A VAL 487.A N SER 494.A O no hydrogen 2.956 N/A ARG 488.A N VAL 467.A O no hydrogen 2.136 N/A ARG 488.A NH2 PRO 401.A O no hydrogen 3.173 N/A TYR 489.A N GLU 492.A OE1 no hydrogen 3.125 N/A SER 494.A N GLU 492.A OE1 no hydrogen 2.610 N/A SER 494.A OG THR 495.A O no hydrogen 3.526 N/A THR 495.A OG1 GLN 484.A OE1 no hydrogen 2.648 N/A THR 496.A N VAL 485.A O no hydrogen 2.737 N/A THR 496.A OG1 GLU 499.A OE1 no hydrogen 2.606 N/A THR 497.A N GLU 499.A OE1 no hydrogen 2.265 N/A THR 497.A OG1 GLU 499.A OE2 no hydrogen 1.773 N/A GLN 500.A NE2 THR 497.A O no hydrogen 2.100 N/A ALA 505.A N PRO 469.A O no hydrogen 3.030 N/A ALA 505.A N GLY 470.A O no hydrogen 3.233 N/A VAL 506.A N GLN 510.A OE1 no hydrogen 2.831 N/A SER 507.A N GLN 510.A OE1 no hydrogen 3.129 N/A GLN 510.A NE2 HIS 427.A NE2 no hydrogen 3.163 N/A GLN 510.A NE2 SER 507.A O no hydrogen 2.941 N/A SER 513.A N THR 516.A OG1 no hydrogen 2.907 N/A SER 513.A OG GLU 411.A OE1 no hydrogen 3.483 N/A SER 513.A OG SER 513.A O no hydrogen 2.591 N/A ALA 515.A N SER 513.A O no hydrogen 2.556 N/A MET 518.A N ALA 515.A O no hydrogen 3.059 N/A HIS 524.A N PHE 521.A O no hydrogen 2.655 N/A ASP 525.A N LEU 522.A O no hydrogen 2.650 N/A ALA 530.A N ASP 526.A O no hydrogen 2.877 N/A SER 534.A OG ILE 410.A O no hydrogen 3.537 N/A SER 534.A OG LEU 531.A O no hydrogen 2.642 N/A ASN 535.A N MET 532.A O no hydrogen 2.645 N/A ASN 535.A ND2 ILE 410.A O no hydrogen 3.377 N/A MET 536.A N GLY 533.A O no hydrogen 3.004 N/A GLN 537.A N GLN 537.A OE1 no hydrogen 2.526 N/A GLN 537.A NE2 ALA 515.A O no hydrogen 2.766 N/A GLN 537.A NE2 ARG 832.A O no hydrogen 3.128 N/A ARG 538.A NH1 SER 513.A O no hydrogen 2.369 N/A ARG 538.A NH1 SER 513.A OG no hydrogen 3.239 N/A ARG 538.A NH2 SER 513.A OG no hydrogen 3.095 N/A GLN 539.A N MET 536.A O no hydrogen 2.774 N/A ALA 540.A N GLN 537.A O no hydrogen 2.875 N/A LEU 544.A N THR 692.A OG1 no hydrogen 3.360 N/A ARG 548.A NE GLU 653.A OE2 no hydrogen 2.006 N/A THR 553.A OG1 THR 553.A O no hydrogen 1.969 N/A THR 553.A OG1 ILE 893.A O no hydrogen 3.080 N/A ALA 560.A N GLU 556.A O no hydrogen 2.764 N/A ARG 561.A N ALA 557.A O no hydrogen 3.151 N/A ASP 562.A N GLN 558.A O no hydrogen 3.074 N/A SER 563.A N GLY 559.A O no hydrogen 2.901 N/A SER 563.A N ALA 560.A O no hydrogen 2.904 N/A SER 563.A OG GLY 559.A O no hydrogen 2.950 N/A SER 563.A OG ALA 560.A O no hydrogen 2.773 N/A GLY 564.A N ALA 560.A O no hydrogen 3.443 N/A SER 569.A N GLN 644.A O no hydrogen 3.091 N/A SER 569.A OG THR 571.A O no hydrogen 2.704 N/A ASP 574.A N LEU 591.A O no hydrogen 2.578 N/A ARG 586.A NE TYR 614.A O no hydrogen 2.734 N/A ARG 586.A NH2 TYR 614.A O no hydrogen 2.440 N/A SER 588.A OG ARG 584.A O no hydrogen 2.219 N/A SER 588.A OG ARG 586.A O no hydrogen 2.748 N/A THR 593.A N GLN 590.A O no hydrogen 2.161 N/A SER 595.A N LEU 591.A O no hydrogen 3.151 N/A GLY 596.A N PRO 592.A O no hydrogen 2.811 N/A LYS 597.A N ALA 594.A O no hydrogen 2.418 N/A SER 598.A N SER 595.A O no hydrogen 2.309 N/A SER 598.A OG SER 595.A O no hydrogen 2.213 N/A THR 605.A OG1 THR 605.A O no hydrogen 2.147 N/A SER 606.A N LEU 604.A O no hydrogen 2.837 N/A SER 606.A OG ASP 600.A OD2 no hydrogen 2.035 N/A SER 606.A OG ASN 601.A O no hydrogen 3.001 N/A SER 606.A OG GLN 607.A OE1 no hydrogen 3.327 N/A LYS 608.A N GLN 610.A OE1 no hydrogen 3.111 N/A GLN 610.A N THR 593.A OG1 no hydrogen 1.894 N/A GLN 610.A NE2 THR 605.A O no hydrogen 2.026 N/A ILE 612.A N VAL 585.A O no hydrogen 2.101 N/A SER 617.A N GLN 630.A OE1 no hydrogen 2.757 N/A SER 617.A OG LYS 618.A O no hydrogen 3.097 N/A SER 617.A OG LEU 628.A O no hydrogen 3.414 N/A SER 617.A OG GLN 630.A OE1 no hydrogen 2.742 N/A GLN 620.A NE2 LYS 618.A O no hydrogen 2.652 N/A SER 622.A N THR 626.A O no hydrogen 2.616 N/A SER 622.A OG THR 626.A O no hydrogen 2.769 N/A GLN 624.A N SER 622.A OG no hydrogen 3.256 N/A ASP 625.A N SER 622.A O no hydrogen 2.652 N/A THR 626.A OG1 THR 367.A O no hydrogen 3.055 N/A CYS 627.A SG ILE 694.A O no hydrogen 2.959 N/A VAL 634.A N LEU 646.A O no hydrogen 3.408 N/A GLY 637.A N VAL 575.A O no hydrogen 2.242 N/A ARG 639.A NE VAL 640.A O no hydrogen 2.233 N/A ARG 639.A NH2 VAL 640.A O no hydrogen 2.462 N/A GLY 643.A N SER 569.A OG no hydrogen 2.403 N/A GLN 644.A NE2 ALA 642.A O no hydrogen 3.562 N/A LEU 646.A N ILE 567.A O no hydrogen 2.535 N/A ALA 647.A N ILE 567.A O no hydrogen 2.838 N/A ASP 648.A N LYS 631.A O no hydrogen 3.089 N/A SER 650.A OG SER 651.A OG no hydrogen 1.971 N/A SER 651.A OG SER 650.A OG no hydrogen 1.971 N/A THR 652.A OG1 GLU 656.A OE2 no hydrogen 2.021 N/A GLY 654.A N GLU 656.A OE2 no hydrogen 1.905 N/A ALA 658.A N SER 651.A O no hydrogen 1.942 N/A LEU 659.A N TYR 955.A OH no hydrogen 2.699 N/A GLY 660.A N TYR 955.A OH no hydrogen 2.666 N/A ILE 663.A N ALA 954.A O no hydrogen 3.061 N/A GLU 676.A N ASP 677.A OD1 no hydrogen 2.548 N/A ILE 679.A N ILE 838.A O no hydrogen 2.051 N/A SER 682.A OG LEU 843.A O no hydrogen 2.923 N/A GLU 683.A N LEU 843.A O no hydrogen 2.926 N/A ARG 684.A N SER 682.A OG no hydrogen 3.232 N/A LEU 685.A N SER 682.A O no hydrogen 2.661 N/A VAL 686.A N GLU 683.A O no hydrogen 2.685 N/A ASP 688.A N ARG 684.A O no hydrogen 2.390 N/A ASP 689.A N VAL 686.A O no hydrogen 2.653 N/A THR 692.A OG1 THR 692.A O no hydrogen 1.846 N/A SER 693.A OG ARG 821.A O no hydrogen 2.607 N/A GLU 697.A N VAL 817.A O no hydrogen 3.015 N/A TYR 699.A OH GLU 697.A OE2 no hydrogen 2.254 N/A ILE 701.A N VAL 813.A O no hydrogen 2.221 N/A ALA 703.A N ASN 810.A OD1 no hydrogen 3.010 N/A GLN 705.A NE2 GLY 808.A O no hydrogen 2.108 N/A THR 706.A OG1 GLU 711.A OE1 no hydrogen 3.184 N/A GLY 709.A N THR 706.A O no hydrogen 2.292 N/A THR 714.A N GLY 748.A O no hydrogen 1.945 N/A THR 714.A OG1 GLU 716.A O no hydrogen 2.222 N/A ARG 715.A NH1 GLU 730.A OE1 no hydrogen 2.099 N/A ARG 715.A NH2 GLU 730.A OE2 no hydrogen 2.397 N/A GLU 716.A N THR 714.A OG1 no hydrogen 2.127 N/A GLU 722.A N GLU 722.A OE1 no hydrogen 2.155 N/A LEU 725.A N GLY 721.A O no hydrogen 2.074 N/A ARG 726.A N ALA 724.A O no hydrogen 2.251 N/A ARG 726.A NE GLN 727.A OE1 no hydrogen 1.919 N/A ARG 726.A NH1 ALA 724.A O no hydrogen 2.211 N/A ARG 726.A NH2 ALA 724.A O no hydrogen 2.347 N/A LEU 728.A N ARG 726.A O no hydrogen 1.984 N/A GLY 732.A N ASP 729.A O no hydrogen 2.628 N/A ILE 733.A N ASP 729.A O no hydrogen 2.536 N/A ARG 735.A N GLN 727.A O no hydrogen 3.461 N/A GLU 741.A N ASP 744.A OD2 no hydrogen 2.392 N/A ASP 744.A N ALA 742.A O no hydrogen 2.414 N/A LEU 746.A N LEU 781.A O no hydrogen 2.088 N/A LYS 749.A N VAL 747.A O no hydrogen 3.053 N/A LYS 749.A NZ GLU 702.A O no hydrogen 2.635 N/A VAL 750.A N GLU 712.A O no hydrogen 2.447 N/A THR 751.A N ARG 777.A O no hydrogen 2.551 N/A GLU 762.A N PRO 759.A O no hydrogen 2.148 N/A LEU 765.A N GLU 761.A O no hydrogen 2.812 N/A ARG 766.A N GLU 762.A O no hydrogen 2.995 N/A ALA 767.A N LYS 763.A O no hydrogen 2.862 N/A ILE 768.A N LEU 765.A O no hydrogen 2.393 N/A PHE 769.A N LEU 765.A O no hydrogen 2.558 N/A GLU 771.A N ARG 766.A O no hydrogen 2.985 N/A ARG 777.A N THR 751.A O no hydrogen 2.501 N/A LEU 781.A N VAL 747.A O no hydrogen 2.918 N/A ARG 782.A NE GLY 743.A O no hydrogen 2.945 N/A ARG 790.A NH1 GLY 737.A O no hydrogen 2.658 N/A VAL 791.A N ALA 738.A O no hydrogen 3.023 N/A VAL 792.A N TYR 816.A O no hydrogen 3.417 N/A ARG 795.A NH1 LYS 62.A O no hydrogen 2.383 N/A GLY 802.A N ARG 799.A O no hydrogen 3.002 N/A ASN 810.A N ALA 703.A O no hydrogen 2.890 N/A MET 811.A N ASN 810.A OD1 no hydrogen 2.218 N/A VAL 812.A N PHE 797.A O no hydrogen 2.845 N/A VAL 812.A N ASP 803.A OD2 no hydrogen 3.170 N/A VAL 813.A N GLU 702.A OE2 no hydrogen 2.208 N/A TYR 816.A OH ASP 793.A OD2 no hydrogen 2.236 N/A ARG 821.A N SER 693.A O no hydrogen 2.916 N/A ARG 821.A NH2 HIS 695.A ND1 no hydrogen 3.069 N/A ARG 821.A NH2 ASP 964.A OD2 no hydrogen 3.066 N/A ILE 823.A N TYR 691.A O no hydrogen 2.760 N/A GLN 824.A N ASP 827.A OD1 no hydrogen 2.851 N/A GLN 824.A N ASP 827.A OD2 no hydrogen 3.228 N/A MET 829.A N ASP 827.A O no hydrogen 2.519 N/A ALA 830.A N LEU 957.A O no hydrogen 2.602 N/A SER 840.A N ILE 679.A O no hydrogen 2.647 N/A ILE 845.A N GLU 683.A OE2 no hydrogen 2.050 N/A GLU 846.A N GLU 846.A OE1 no hydrogen 2.620 N/A SER 855.A N ASP 853.A OD1 no hydrogen 2.523 N/A SER 855.A OG PRO 856.A O no hydrogen 2.748 N/A VAL 857.A N PRO 849.A O no hydrogen 2.890 N/A GLY 865.A N ASN 862.A OD1 no hydrogen 2.393 N/A SER 868.A N LEU 864.A O no hydrogen 3.431 N/A SER 868.A OG LEU 864.A O no hydrogen 2.998 N/A MET 870.A N VAL 866.A O no hydrogen 2.487 N/A MET 870.A N PRO 867.A O no hydrogen 3.125 N/A ASN 871.A N VAL 866.A O no hydrogen 3.392 N/A GLY 873.A N ASP 525.A OD1 no hydrogen 2.873 N/A GLN 874.A NE2 ASN 871.A O no hydrogen 1.891 N/A VAL 875.A N VAL 872.A O no hydrogen 2.966 N/A PHE 876.A N GLY 873.A O no hydrogen 1.652 N/A GLU 877.A N GLY 873.A O no hydrogen 3.064 N/A GLU 877.A N GLU 877.A OE1 no hydrogen 1.967 N/A CYS 878.A N GLN 874.A O no hydrogen 2.971 N/A CYS 878.A SG ILE 951.A O no hydrogen 2.936 N/A LEU 879.A N VAL 875.A O no hydrogen 2.869 N/A LEU 880.A N PHE 876.A O no hydrogen 2.746 N/A GLY 881.A N GLU 877.A O no hydrogen 2.631 N/A TRP 882.A N CYS 878.A O no hydrogen 2.781 N/A ALA 883.A N LEU 879.A O no hydrogen 3.078 N/A GLY 884.A N LEU 880.A O no hydrogen 3.090 N/A HIS 885.A N GLY 881.A O no hydrogen 2.740 N/A THR 886.A N TRP 882.A O no hydrogen 2.846 N/A THR 886.A N ALA 883.A O no hydrogen 2.167 N/A THR 886.A OG1 ALA 883.A O no hydrogen 2.638 N/A LEU 887.A N ALA 883.A O no hydrogen 2.913 N/A VAL 889.A N GLY 884.A O no hydrogen 3.060 N/A ARG 890.A NH2 VAL 551.A O no hydrogen 2.974 N/A LYS 892.A NZ GLU 556.A OE2 no hydrogen 2.941 N/A ILE 893.A N GLY 552.A O no hydrogen 2.593 N/A ASP 897.A N GLU 523.A OE1 no hydrogen 2.083 N/A GLU 903.A N GLU 903.A OE1 no hydrogen 2.730 N/A SER 904.A N GLU 902.A O no hydrogen 2.608 N/A SER 904.A OG MET 899.A O no hydrogen 2.981 N/A SER 904.A OG GLU 902.A O no hydrogen 3.241 N/A SER 904.A OG GLU 902.A OE2 no hydrogen 2.581 N/A ARG 906.A NH2 HIS 910.A NE2 no hydrogen 2.630 N/A ILE 908.A N SER 904.A O no hydrogen 2.596 N/A VAL 909.A N SER 905.A O no hydrogen 2.833 N/A VAL 909.A N ARG 906.A O no hydrogen 2.166 N/A HIS 910.A N ARG 906.A O no hydrogen 3.066 N/A GLY 911.A N ARG 907.A O no hydrogen 2.893 N/A LYS 912.A N ILE 908.A O no hydrogen 2.695 N/A LEU 913.A N VAL 909.A O no hydrogen 2.827 N/A GLN 914.A N GLY 911.A O no hydrogen 1.864 N/A GLU 915.A N GLU 915.A OE1 no hydrogen 2.626 N/A ALA 916.A N LYS 912.A O no hydrogen 3.068 N/A ARG 917.A N LEU 913.A O no hydrogen 2.688 N/A ARG 917.A NH2 ASP 923.A O no hydrogen 3.174 N/A ARG 917.A NH2 TYR 926.A O no hydrogen 2.821 N/A ASP 918.A N GLN 914.A O no hydrogen 2.680 N/A GLU 919.A N GLU 915.A O no hydrogen 2.572 N/A THR 920.A N ARG 917.A O no hydrogen 2.787 N/A LYS 922.A N THR 920.A O no hydrogen 2.884 N/A ASP 929.A N ASN 927.A OD1 no hydrogen 2.966 N/A ASP 930.A N ASN 927.A O no hydrogen 2.576 N/A GLY 932.A N ASP 930.A O no hydrogen 2.567 N/A LYS 933.A N ASP 930.A O no hydrogen 3.049 N/A ILE 934.A N VAL 949.A O no hydrogen 3.260 N/A GLY 942.A N GLY 939.A O no hydrogen 2.727 N/A PHE 945.A N VAL 936.A O no hydrogen 3.121 N/A THR 950.A OG1 GLY 932.A O no hydrogen 2.967 N/A THR 950.A OG1 ILE 951.A O no hydrogen 3.083 N/A VAL 953.A N CYS 878.A O no hydrogen 2.945 N/A ALA 954.A N ILE 663.A O no hydrogen 2.751 N/A LEU 957.A N ALA 830.A O no hydrogen 2.691 N/A LEU 962.A N VAL 960.A O no hydrogen 1.879 N/A LYS 966.A N LEU 962.A O no hydrogen 2.737 N/A ILE 967.A N ASP 964.A O no hydrogen 3.277 N/A HIS 968.A NE2 GLN 988.A O no hydrogen 2.992 N/A ARG 970.A NH2 GLN 989.A O no hydrogen 2.295 N/A SER 971.A OG SER 971.A O no hydrogen 2.605 N/A THR 972.A OG1 SER 971.A O no hydrogen 2.595 N/A THR 979.A OG1 GLN 981.A OE1 no hydrogen 3.495 N/A GLN 981.A N SER 976.A OG no hydrogen 2.906 N/A GLN 981.A NE2 SER 1019.A O no hydrogen 2.390 N/A LYS 986.A NZ ILE 967.A O no hydrogen 2.944 N/A GLY 991.A N LEU 983.A O no hydrogen 3.127 N/A GLY 995.A N GLU 998.A OE2 no hydrogen 2.763 N/A GLU 998.A N GLY 995.A O no hydrogen 2.386 N/A VAL 999.A N GLY 995.A O no hydrogen 3.152 N/A TRP 1000.A N MET 997.A O no hydrogen 3.304 N/A ALA 1001.A N GLU 998.A O no hydrogen 2.398 N/A THR 1010.A OG1 ALA 1008.A O no hydrogen 2.789 N/A LEU 1011.A N ALA 1008.A O no hydrogen 2.440 N/A GLN 1012.A N ALA 1008.A O no hydrogen 3.351 N/A GLU 1013.A N TYR 1009.A O no hydrogen 2.443 N/A LEU 1015.A N LEU 1011.A O no hydrogen 2.594 N/A LEU 1015.A N GLN 1012.A O no hydrogen 3.126 N/A THR 1016.A N GLN 1012.A O no hydrogen 3.003 N/A THR 1016.A OG1 GLN 1012.A O no hydrogen 2.940 N/A THR 1016.A OG1 GLU 1013.A O no hydrogen 2.165 N/A THR 1016.A OG1 GLU 1013.A OE2 no hydrogen 3.116 N/A VAL 1017.A N GLU 1013.A O no hydrogen 2.878 N/A LYS 1018.A N LEU 1015.A O no hydrogen 2.683 N/A SER 1019.A N THR 1016.A O no hydrogen 1.970 N/A SER 1019.A OG GLN 981.A OE1 no hydrogen 1.869 N/A GLN 1023.A N GLN 1023.A OE1 no hydrogen 2.020 N/A GLY 1024.A N ASP 1021.A OD1 no hydrogen 2.064 N/A ARG 1025.A N ASP 1021.A O no hydrogen 2.513 N/A ARG 1025.A NE ASP 1021.A O no hydrogen 2.667 N/A ASN 1026.A N MET 1022.A O no hydrogen 2.875 N/A GLU 1027.A N GLN 1023.A O no hydrogen 2.647 N/A ALA 1028.A N GLY 1024.A O no hydrogen 2.859 N/A LEU 1029.A N ARG 1025.A O no hydrogen 3.006 N/A ASN 1030.A N ASN 1026.A O no hydrogen 2.971 N/A ALA 1031.A N GLU 1027.A O no hydrogen 2.754 N/A ILE 1032.A N ALA 1028.A O no hydrogen 3.370 N/A LYS 1034.A N ASN 1030.A O no hydrogen 2.632 N/A LYS 1034.A N ALA 1031.A O no hydrogen 3.009 N/A GLY 1035.A N ILE 1032.A O no hydrogen 2.712 N/A LYS 1036.A N ALA 1031.A O no hydrogen 2.491 N/A THR 1043.A OG1 PRO 1044.A O no hydrogen 2.809 N/A GLU 1045.A N ASP 1020.A OD2 no hydrogen 2.028 N/A SER 1046.A N ASP 1020.A OD1 no hydrogen 2.304 N/A SER 1046.A OG ASP 1020.A OD2 no hydrogen 2.578 N/A PHE 1047.A N ASP 1020.A OD2 no hydrogen 3.405 N/A LYS 1048.A NZ ASP 1076.A O no hydrogen 2.851 N/A LYS 1048.A NZ VAL 1077.A O no hydrogen 2.822 N/A VAL 1049.A N GLU 1045.A O no hydrogen 2.595 N/A LEU 1050.A N SER 1046.A O no hydrogen 2.641 N/A MET 1051.A N PHE 1047.A O no hydrogen 2.828 N/A ARG 1052.A N LYS 1048.A O no hydrogen 2.597 N/A GLU 1053.A N VAL 1049.A O no hydrogen 3.239 N/A LEU 1054.A N LEU 1050.A O no hydrogen 3.133 N/A GLN 1055.A N MET 1051.A O no hydrogen 2.673 N/A SER 1056.A N ARG 1052.A O no hydrogen 2.948 N/A SER 1056.A OG GLU 1053.A O no hydrogen 2.589 N/A LEU 1057.A N GLU 1053.A O no hydrogen 2.561 N/A GLY 1058.A N LEU 1054.A O no hydrogen 2.855 N/A GLY 1058.A N GLN 1055.A O no hydrogen 3.137 N/A LEU 1059.A N GLN 1055.A O no hydrogen 2.829 N/A THR 1068.A OG1 LYS 1065.A O no hydrogen 3.520 N/A THR 1068.A OG1 ASP 1071.A O no hydrogen 2.064 N/A ASP 1071.A N THR 1068.A O no hydrogen 2.698 N/A SER 1074.A OG VAL 1063.A O no hydrogen 2.990 N/A SER 1074.A OG ASP 1076.A OD1 no hydrogen 2.774 N/A SER 1074.A OG ASP 1076.A OD2 no hydrogen 2.661 N/A