Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bf9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 12.A OG PHE 376.A O no hydrogen 2.739 N/A SER 12.A OG ARG 377.A O no hydrogen 2.328 N/A ARG 16.A N ASP 14.A OD1 no hydrogen 2.937 N/A ARG 16.A NE TYR 18.A OH no hydrogen 2.956 N/A ARG 19.A N LEU 31.A O no hydrogen 2.734 N/A LEU 21.A N VAL 29.A O no hydrogen 2.731 N/A LEU 23.A N ILE 27.A O no hydrogen 3.055 N/A ALA 24.A N ALA 1.A O no hydrogen 3.321 N/A ASN 25.A ND2 VAL 232.A O no hydrogen 2.419 N/A GLY 26.A N LEU 23.A O no hydrogen 2.998 N/A ILE 27.A N LEU 23.A O no hydrogen 3.414 N/A LYS 28.A N MET 208.A O no hydrogen 2.565 N/A LYS 28.A NZ GLU 22.A OE2 no hydrogen 2.771 N/A VAL 29.A N LEU 21.A O no hydrogen 2.747 N/A LEU 30.A N VAL 210.A O no hydrogen 2.964 N/A LEU 31.A N ARG 19.A O no hydrogen 2.492 N/A ILE 32.A N VAL 212.A O no hydrogen 2.959 N/A SER 33.A N GLU 17.A O no hydrogen 2.501 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.339 N/A THR 36.A OG1 ASP 34.A OD1 no hydrogen 3.002 N/A THR 37.A OG1 LYS 39.A O no hydrogen 3.433 N/A SER 40.A N VAL 107.A O no hydrogen 3.158 N/A SER 40.A OG HIS 109.A O no hydrogen 2.741 N/A SER 41.A N LEU 213.A O no hydrogen 2.653 N/A SER 41.A OG ALA 42.A O no hydrogen 3.515 N/A SER 41.A OG PHE 105.A O no hydrogen 2.284 N/A ALA 42.A N PHE 105.A O no hydrogen 3.367 N/A ALA 43.A N VAL 211.A O no hydrogen 3.365 N/A ASP 45.A N ALA 209.A O no hydrogen 2.874 N/A VAL 46.A N THR 101.A O no hydrogen 2.733 N/A HIS 47.A N LEU 207.A O no hydrogen 2.975 N/A SER 50.A N SER 97.A O no hydrogen 3.206 N/A SER 52.A N GLY 49.A O no hydrogen 3.452 N/A LEU 60.A N ASP 53.A OD2 no hydrogen 3.297 N/A SER 61.A N ASP 53.A OD1 no hydrogen 3.001 N/A SER 61.A OG ASP 53.A OD1 no hydrogen 3.279 N/A PHE 63.A N GLY 59.A O no hydrogen 2.835 N/A LEU 64.A N LEU 60.A O no hydrogen 2.875 N/A GLU 65.A N SER 61.A O no hydrogen 2.858 N/A HIS 66.A N HIS 62.A O no hydrogen 3.055 N/A MET 67.A N PHE 63.A O no hydrogen 2.880 N/A PHE 69.A N HIS 66.A O no hydrogen 3.349 N/A THR 72.A N TYR 75.A O no hydrogen 3.444 N/A TYR 75.A N THR 72.A OG1 no hydrogen 2.674 N/A GLN 83.A N ASN 79.A O no hydrogen 2.351 N/A PHE 84.A N GLU 80.A O no hydrogen 2.849 N/A LEU 85.A N TYR 81.A O no hydrogen 2.914 N/A SER 86.A N GLN 83.A O no hydrogen 2.857 N/A GLU 87.A N GLN 83.A O no hydrogen 2.913 N/A SER 91.A N ASP 106.A OD1 no hydrogen 2.681 N/A SER 92.A OG TYR 104.A O no hydrogen 2.705 N/A ASN 93.A N TYR 104.A O no hydrogen 2.854 N/A ALA 94.A N ASN 93.A OD1 no hydrogen 2.629 N/A PHE 95.A N ASN 102.A O no hydrogen 3.065 N/A THR 96.A OG1 GLU 65.A OE2 no hydrogen 3.112 N/A SER 97.A N HIS 100.A O no hydrogen 2.424 N/A SER 97.A OG HIS 100.A O no hydrogen 3.172 N/A GLU 99.A N SER 97.A OG no hydrogen 3.347 N/A HIS 100.A N SER 97.A OG no hydrogen 2.717 N/A THR 101.A N VAL 46.A O no hydrogen 2.886 N/A THR 101.A OG1 ILE 48.A O no hydrogen 3.319 N/A ASN 102.A N PHE 95.A O no hydrogen 2.637 N/A ASN 102.A ND2 SER 389.A O no hydrogen 2.994 N/A TYR 103.A N LEU 44.A O no hydrogen 2.542 N/A TYR 104.A N ASN 93.A O no hydrogen 2.787 N/A PHE 105.A N ALA 42.A O no hydrogen 3.043 N/A GLY 114.A N HIS 111.A O no hydrogen 3.037 N/A LEU 116.A N LEU 112.A O no hydrogen 2.833 N/A ASP 117.A N GLU 113.A O no hydrogen 2.825 N/A ARG 118.A N GLY 114.A O no hydrogen 2.890 N/A PHE 119.A N LEU 116.A O no hydrogen 3.160 N/A ALA 120.A N LEU 116.A O no hydrogen 2.882 N/A SER 125.A N GLN 121.A O no hydrogen 3.474 N/A SER 131.A OG GLU 78.A OE1 no hydrogen 3.294 N/A SER 131.A OG GLU 78.A OE2 no hydrogen 3.135 N/A ASP 134.A N GLU 130.A O no hydrogen 2.931 N/A ARG 135.A N SER 131.A O no hydrogen 2.930 N/A GLU 136.A N ALA 132.A O no hydrogen 2.828 N/A VAL 137.A N LYS 133.A O no hydrogen 2.962 N/A ALA 139.A N ARG 135.A O no hydrogen 2.969 N/A VAL 140.A N GLU 136.A O no hydrogen 2.783 N/A ASP 141.A N VAL 137.A O no hydrogen 2.970 N/A SER 142.A N ASN 138.A O no hydrogen 2.907 N/A GLU 143.A N ALA 139.A O no hydrogen 2.861 N/A HIS 144.A N VAL 140.A O no hydrogen 2.893 N/A GLU 145.A N ASP 141.A O no hydrogen 2.808 N/A LYS 146.A N SER 142.A O no hydrogen 2.927 N/A VAL 148.A N GLU 145.A O no hydrogen 3.231 N/A ARG 154.A N ASN 150.A O no hydrogen 2.820 N/A ARG 154.A NH1 VAL 148.A O no hydrogen 2.904 N/A LEU 155.A N ASP 151.A O no hydrogen 2.856 N/A PHE 156.A N ALA 152.A O no hydrogen 2.838 N/A GLN 157.A N TRP 153.A O no hydrogen 2.821 N/A LEU 158.A N ARG 154.A O no hydrogen 2.856 N/A GLU 159.A N LEU 155.A O no hydrogen 2.928 N/A LYS 160.A N PHE 156.A O no hydrogen 2.871 N/A THR 162.A N LEU 158.A O no hydrogen 3.243 N/A THR 162.A OG1 LEU 158.A O no hydrogen 3.076 N/A LYS 166.A N ASN 164.A OD1 no hydrogen 2.777 N/A SER 170.A N HIS 167.A O no hydrogen 2.949 N/A SER 170.A OG PRO 165.A O no hydrogen 3.260 N/A SER 170.A OG HIS 167.A O no hydrogen 2.429 N/A LYS 177.A N ASP 141.A OD1 no hydrogen 3.111 N/A LYS 177.A NZ VAL 137.A O no hydrogen 2.859 N/A LYS 177.A NZ ASN 138.A OD1 no hydrogen 3.059 N/A THR 179.A N ASN 176.A O no hydrogen 3.247 N/A THR 179.A N ASN 176.A OD1 no hydrogen 3.182 N/A THR 179.A OG1 ASN 176.A O no hydrogen 3.176 N/A THR 179.A OG1 ASN 176.A OD1 no hydrogen 3.322 N/A LEU 180.A N ASN 176.A O no hydrogen 2.912 N/A GLU 181.A N LYS 177.A O no hydrogen 3.245 N/A THR 182.A N LYS 177.A O no hydrogen 3.031 N/A THR 182.A OG1 LYS 177.A O no hydrogen 3.055 N/A GLN 186.A N THR 182.A O no hydrogen 3.362 N/A GLU 187.A N PRO 184.A O no hydrogen 2.994 N/A GLY 188.A N ASN 185.A O no hydrogen 3.086 N/A ILE 189.A N PRO 184.A O no hydrogen 2.494 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.208 N/A GLU 194.A N ASP 190.A O no hydrogen 3.492 N/A LEU 195.A N VAL 191.A O no hydrogen 2.904 N/A LEU 196.A N ARG 192.A O no hydrogen 2.886 N/A LYS 197.A N GLN 193.A O no hydrogen 2.911 N/A LYS 197.A NZ GLU 194.A OE2 no hydrogen 3.159 N/A PHE 198.A N GLU 194.A O no hydrogen 2.772 N/A HIS 199.A N LEU 195.A O no hydrogen 2.929 N/A SER 200.A N LEU 196.A O no hydrogen 2.904 N/A SER 200.A OG LEU 196.A O no hydrogen 2.903 N/A SER 200.A OG LYS 197.A O no hydrogen 2.764 N/A ALA 201.A N LYS 197.A O no hydrogen 2.898 N/A TYR 202.A N PHE 198.A O no hydrogen 2.972 N/A SER 205.A OG ASN 234.A OD1 no hydrogen 3.276 N/A MET 208.A N GLY 26.A O no hydrogen 2.810 N/A VAL 210.A N LYS 28.A O no hydrogen 2.451 N/A VAL 211.A N ALA 43.A O no hydrogen 3.234 N/A VAL 212.A N LEU 30.A O no hydrogen 2.892 N/A LEU 213.A N SER 41.A O no hydrogen 2.493 N/A GLY 214.A N ILE 32.A O no hydrogen 2.957 N/A ARG 215.A NE HIS 109.A O no hydrogen 3.379 N/A SER 217.A OG ASP 219.A OD1 no hydrogen 2.454 N/A SER 217.A OG ASP 220.A OD1 no hydrogen 2.424 N/A ASP 220.A N SER 217.A OG no hydrogen 3.146 N/A THR 222.A N LEU 218.A O no hydrogen 2.851 N/A THR 222.A OG1 LEU 218.A O no hydrogen 2.246 N/A ASN 223.A N ASP 219.A O no hydrogen 2.948 N/A LEU 224.A N ASP 220.A O no hydrogen 2.986 N/A VAL 225.A N LEU 221.A O no hydrogen 2.942 N/A VAL 226.A N THR 222.A O no hydrogen 2.931 N/A LEU 228.A N LEU 224.A O no hydrogen 2.725 N/A PHE 229.A N VAL 225.A O no hydrogen 2.732 N/A PHE 229.A N VAL 226.A O no hydrogen 3.272 N/A ASN 236.A N ASN 234.A OD1 no hydrogen 2.907 N/A VAL 237.A N SER 205.A OG no hydrogen 2.617 N/A GLU 249.A N PHE 247.A O no hydrogen 2.936 N/A LYS 253.A NZ GLU 428.A O no hydrogen 3.535 N/A GLN 254.A NE2 LEU 252.A O no hydrogen 2.993 N/A TYR 256.A OH GLN 456.A OE1 no hydrogen 2.648 N/A ILE 258.A N ILE 434.A O no hydrogen 2.454 N/A LYS 262.A N ASP 151.A OD2 no hydrogen 3.118 N/A ASN 266.A N VAL 435.A O no hydrogen 3.319 N/A LEU 267.A N VAL 331.A O no hydrogen 2.856 N/A TYR 268.A N ALA 433.A O no hydrogen 2.799 N/A VAL 269.A N ILE 329.A O no hydrogen 2.671 N/A THR 270.A N ARG 431.A O no hydrogen 2.874 N/A PHE 271.A N PHE 327.A O no hydrogen 2.636 N/A ILE 273.A N MET 325.A O no hydrogen 2.507 N/A GLN 277.A N ASP 275.A OD1 no hydrogen 2.697 N/A TYR 279.A N LEU 276.A O no hydrogen 2.824 N/A TYR 280.A OH GLU 402.A OE2 no hydrogen 3.015 N/A SER 282.A OG GLU 412.A O no hydrogen 3.188 N/A ASN 283.A N TYR 279.A O no hydrogen 2.927 N/A HIS 286.A N ASN 283.A O no hydrogen 3.179 N/A LEU 288.A N PRO 284.A O no hydrogen 2.770 N/A GLY 289.A N GLY 285.A O no hydrogen 2.871 N/A HIS 290.A N HIS 286.A O no hydrogen 2.841 N/A LEU 291.A N TYR 287.A O no hydrogen 2.814 N/A ILE 292.A N LEU 288.A O no hydrogen 2.804 N/A SER 299.A N GLY 296.A O no hydrogen 3.113 N/A SER 299.A OG HIS 294.A O no hydrogen 2.948 N/A LEU 301.A N SER 299.A OG no hydrogen 3.318 N/A SER 302.A OG GLY 296.A O no hydrogen 3.437 N/A SER 302.A OG SER 299.A O no hydrogen 2.437 N/A GLU 303.A N SER 299.A O no hydrogen 3.314 N/A LEU 304.A N LEU 300.A O no hydrogen 2.944 N/A LYS 305.A N LEU 301.A O no hydrogen 2.857 N/A LYS 305.A NZ ASP 556.A O no hydrogen 2.678 N/A SER 306.A N SER 302.A O no hydrogen 2.814 N/A LYS 307.A N GLU 303.A O no hydrogen 2.571 N/A TRP 309.A N LEU 304.A O no hydrogen 2.851 N/A TRP 309.A NE1 GLU 336.A OE2 no hydrogen 2.496 N/A ASN 311.A ND2 ASP 332.A OD2 no hydrogen 2.681 N/A VAL 314.A N ASN 330.A O no hydrogen 3.037 N/A GLY 316.A N ILE 328.A O no hydrogen 2.399 N/A LYS 318.A N PHE 326.A O no hydrogen 2.874 N/A LYS 318.A NZ GLU 159.A OE1 no hydrogen 2.790 N/A LYS 318.A NZ GLU 159.A OE2 no hydrogen 3.554 N/A ARG 322.A N GLU 99.A OE2 no hydrogen 3.030 N/A ARG 322.A NH1 HIS 396.A NE2 no hydrogen 2.996 N/A MET 325.A N ILE 273.A O no hydrogen 2.412 N/A PHE 326.A N LYS 318.A O no hydrogen 2.988 N/A ILE 328.A N GLY 316.A O no hydrogen 2.492 N/A ILE 329.A N VAL 269.A O no hydrogen 2.741 N/A ASN 330.A N VAL 314.A O no hydrogen 2.746 N/A VAL 331.A N LEU 267.A O no hydrogen 2.800 N/A ASP 332.A N THR 312.A O no hydrogen 3.176 N/A LEU 333.A N ASP 332.A OD1 no hydrogen 2.535 N/A THR 334.A N TRP 309.A O no hydrogen 2.893 N/A THR 334.A OG1 GLY 308.A O no hydrogen 3.411 N/A THR 334.A OG1 TRP 309.A O no hydrogen 3.006 N/A GLY 337.A N THR 334.A OG1 no hydrogen 3.257 N/A LEU 338.A N THR 334.A O no hydrogen 2.479 N/A LEU 339.A N GLU 335.A O no hydrogen 3.084 N/A HIS 340.A N GLU 336.A O no hydrogen 2.536 N/A HIS 340.A ND1 GLU 336.A O no hydrogen 3.162 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.524 N/A ILE 345.A N VAL 341.A O no hydrogen 2.978 N/A LEU 346.A N GLU 342.A O no hydrogen 2.833 N/A HIS 347.A N ASP 343.A O no hydrogen 2.814 N/A HIS 347.A ND1 ASP 343.A O no hydrogen 2.343 N/A MET 348.A N ILE 344.A O no hydrogen 2.869 N/A PHE 349.A N ILE 345.A O no hydrogen 2.886 N/A GLN 350.A N LEU 346.A O no hydrogen 2.803 N/A TYR 351.A N HIS 347.A O no hydrogen 2.904 N/A TYR 351.A OH LEU 291.A O no hydrogen 2.139 N/A ILE 352.A N MET 348.A O no hydrogen 2.814 N/A GLN 353.A N PHE 349.A O no hydrogen 2.847 N/A LYS 354.A N GLN 350.A O no hydrogen 2.824 N/A LEU 355.A N TYR 351.A O no hydrogen 2.972 N/A ARG 356.A N ILE 352.A O no hydrogen 2.822 N/A ALA 357.A N LYS 354.A O no hydrogen 3.299 N/A GLU 358.A N LYS 354.A O no hydrogen 3.454 N/A GLY 359.A N LEU 355.A O no hydrogen 3.227 N/A GLN 361.A N TYR 287.A OH no hydrogen 2.522 N/A GLN 366.A N GLU 362.A O no hydrogen 2.780 N/A GLN 366.A NE2 ASP 370.A OD2 no hydrogen 2.957 N/A GLU 367.A N TRP 363.A O no hydrogen 2.862 N/A LEU 368.A N VAL 364.A O no hydrogen 2.856 N/A LYS 369.A N PHE 365.A O no hydrogen 2.838 N/A LYS 369.A NZ GLU 411.A O no hydrogen 2.701 N/A ASP 370.A N GLN 366.A O no hydrogen 2.838 N/A LEU 371.A N GLU 367.A O no hydrogen 2.967 N/A ASN 372.A N LEU 368.A O no hydrogen 2.919 N/A ALA 373.A N LYS 369.A O no hydrogen 2.807 N/A VAL 374.A N ASP 370.A O no hydrogen 2.975 N/A ALA 375.A N LEU 371.A O no hydrogen 2.929 N/A PHE 376.A N ASN 372.A O no hydrogen 2.781 N/A ARG 377.A N ALA 373.A O no hydrogen 2.885 N/A PHE 378.A N VAL 374.A O no hydrogen 2.691 N/A LYS 381.A N ASP 380.A OD1 no hydrogen 2.759 N/A SER 389.A OG GLY 386.A O no hydrogen 2.652 N/A LYS 390.A N GLY 386.A O no hydrogen 2.892 N/A ILE 391.A N TYR 387.A O no hydrogen 2.898 N/A ALA 392.A N THR 388.A O no hydrogen 2.893 N/A GLY 393.A N SER 389.A O no hydrogen 2.874 N/A ILE 394.A N LYS 390.A O no hydrogen 3.043 N/A TYR 398.A N LEU 395.A O no hydrogen 3.391 N/A GLU 402.A N PRO 399.A O no hydrogen 2.716 N/A GLU 411.A N LYS 281.A O no hydrogen 3.103 N/A ARG 414.A NH2 ASP 416.A OD2 no hydrogen 3.373 N/A LEU 417.A N ARG 414.A O no hydrogen 3.091 N/A GLU 419.A N PRO 415.A O no hydrogen 2.805 N/A MET 420.A N ASP 416.A O no hydrogen 2.871 N/A VAL 421.A N LEU 417.A O no hydrogen 2.901 N/A LEU 422.A N ILE 418.A O no hydrogen 2.845 N/A ASP 423.A N GLU 419.A O no hydrogen 2.837 N/A LYS 424.A N MET 420.A O no hydrogen 2.608 N/A LEU 425.A N VAL 421.A O no hydrogen 2.847 N/A ARG 426.A NE ASP 423.A O no hydrogen 2.780 N/A ARG 426.A NE ASP 423.A OD1 no hydrogen 2.878 N/A ARG 426.A NH2 ASP 423.A OD1 no hydrogen 3.089 N/A ASN 429.A N ARG 426.A O no hydrogen 2.998 N/A ASN 429.A ND2 PRO 272.A O no hydrogen 3.319 N/A ASN 429.A ND2 LYS 424.A O no hydrogen 3.600 N/A ARG 431.A N THR 270.A O no hydrogen 2.759 N/A VAL 432.A N GLN 254.A O no hydrogen 2.665 N/A ALA 433.A N TYR 268.A O no hydrogen 2.874 N/A ILE 434.A N TYR 256.A O no hydrogen 2.497 N/A VAL 435.A N ASN 266.A O no hydrogen 2.773 N/A SER 436.A N ILE 258.A O no hydrogen 2.624 N/A SER 436.A OG SER 438.A OG no hydrogen 3.088 N/A LYS 437.A NZ ILE 261.A O no hydrogen 2.930 N/A SER 438.A N SER 436.A OG no hydrogen 3.354 N/A SER 438.A OG SER 436.A OG no hydrogen 3.088 N/A THR 443.A OG1 GLN 453.A OE1 no hydrogen 3.489 N/A ARG 445.A N TYR 454.A O no hydrogen 2.710 N/A THR 446.A OG1 ASP 444.A O no hydrogen 3.135 N/A GLU 447.A N THR 452.A O no hydrogen 2.464 N/A GLU 448.A N GLU 448.A OE1 no hydrogen 2.799 N/A TRP 449.A N GLU 447.A OE2 no hydrogen 3.300 N/A THR 452.A OG1 VAL 259.A O no hydrogen 3.240 N/A TYR 454.A N ARG 445.A O no hydrogen 2.797 N/A GLN 456.A NE2 GLN 254.A OE1 no hydrogen 3.001 N/A GLN 456.A NE2 TYR 256.A OH no hydrogen 2.774 N/A LYS 465.A N ASP 461.A O no hydrogen 2.763 N/A LYS 465.A NZ ASP 461.A OD2 no hydrogen 3.212 N/A LYS 466.A N GLU 462.A O no hydrogen 2.967 N/A TRP 467.A N VAL 463.A O no hydrogen 2.811 N/A GLN 468.A N ILE 464.A O no hydrogen 2.916 N/A ASN 469.A N LYS 465.A O no hydrogen 3.420 N/A ALA 470.A N LYS 466.A O no hydrogen 3.284 N/A LYS 477.A N GLY 298.A O no hydrogen 2.771 N/A LYS 481.A NZ ASN 482.A O no hydrogen 3.295 N/A ASN 482.A N GLU 367.A OE2 no hydrogen 2.591 N/A PHE 484.A N ASN 482.A OD1 no hydrogen 2.573 N/A ASN 488.A ND2 GLU 490.A OE1 no hydrogen 2.392 N/A THR 499.A OG1 TYR 501.A O no hydrogen 2.736 N/A TYR 501.A N THR 499.A OG1 no hydrogen 3.147 N/A TYR 501.A OH ASP 873.A OD1 no hydrogen 3.077 N/A LYS 506.A NZ LEU 693.A O no hydrogen 3.368 N/A THR 508.A N SER 511.A O no hydrogen 3.418 N/A THR 508.A OG1 SER 511.A OG no hydrogen 3.353 N/A MET 510.A N THR 508.A OG1 no hydrogen 2.822 N/A SER 511.A N THR 508.A OG1 no hydrogen 2.600 N/A SER 511.A OG THR 508.A OG1 no hydrogen 3.353 N/A TRP 514.A N ALA 681.A O no hydrogen 2.883 N/A LYS 516.A N LEU 683.A O no hydrogen 3.158 N/A LYS 516.A NZ GLN 517.A O no hydrogen 2.854 N/A LEU 523.A N ASP 518.A OD2 no hydrogen 3.293 N/A ALA 526.A N GLY 587.A O no hydrogen 2.558 N/A ASN 527.A N HIS 684.A O no hydrogen 2.520 N/A ASN 527.A ND2 SER 858.A OG no hydrogen 3.081 N/A PHE 532.A N MET 581.A O no hydrogen 2.684 N/A PHE 536.A N SER 534.A OG no hydrogen 3.328 N/A HIS 543.A N ASP 540.A OD1 no hydrogen 2.894 N/A HIS 543.A N ASP 540.A OD2 no hydrogen 3.287 N/A HIS 543.A ND1 ASP 540.A OD1 no hydrogen 3.014 N/A HIS 543.A ND1 ASP 540.A OD2 no hydrogen 2.503 N/A SER 544.A OG ASP 540.A O no hydrogen 2.960 N/A SER 544.A OG PRO 541.A O no hydrogen 2.392 N/A ASN 545.A N PRO 541.A O no hydrogen 2.819 N/A ASN 545.A ND2 LEU 654.A O no hydrogen 3.550 N/A MET 546.A N LEU 542.A O no hydrogen 3.020 N/A ALA 547.A N HIS 543.A O no hydrogen 2.858 N/A TYR 548.A N SER 544.A O no hydrogen 2.945 N/A LEU 549.A N ASN 545.A O no hydrogen 3.002 N/A TYR 550.A N MET 546.A O no hydrogen 2.841 N/A LEU 551.A N ALA 547.A O no hydrogen 2.961 N/A GLU 552.A N TYR 548.A O no hydrogen 2.945 N/A LEU 553.A N LEU 549.A O no hydrogen 2.955 N/A LEU 554.A N TYR 550.A O no hydrogen 2.786 N/A LYS 555.A N LEU 551.A O no hydrogen 3.007 N/A LYS 555.A NZ ASP 573.A OD1 no hydrogen 3.423 N/A LYS 555.A NZ LEU 574.A O no hydrogen 2.667 N/A ASP 556.A N GLU 552.A O no hydrogen 2.986 N/A SER 557.A N LEU 553.A O no hydrogen 2.900 N/A LEU 558.A N LEU 554.A O no hydrogen 3.162 N/A ALA 562.A N LEU 558.A O no hydrogen 3.228 N/A GLU 566.A N ALA 562.A O no hydrogen 2.897 N/A LEU 567.A N TYR 563.A O no hydrogen 2.799 N/A ALA 568.A N ALA 565.A O no hydrogen 2.933 N/A LEU 570.A N ALA 565.A O no hydrogen 2.787 N/A SER 571.A N LYS 586.A O no hydrogen 2.607 N/A SER 571.A OG LYS 586.A O no hydrogen 2.536 N/A GLN 575.A N TYR 582.A O no hydrogen 2.453 N/A THR 577.A N GLY 580.A O no hydrogen 2.438 N/A THR 577.A OG1 GLY 580.A O no hydrogen 3.089 N/A TYR 579.A N THR 577.A OG1 no hydrogen 2.895 N/A GLY 580.A N THR 577.A OG1 no hydrogen 2.696 N/A TYR 582.A N GLN 575.A O no hydrogen 2.321 N/A LEU 583.A N PHE 530.A O no hydrogen 2.773 N/A SER 584.A N ASP 573.A O no hydrogen 2.842 N/A SER 584.A OG ASN 529.A OD1 no hydrogen 2.774 N/A VAL 585.A N LEU 528.A O no hydrogen 2.745 N/A LYS 586.A N SER 571.A O no hydrogen 2.758 N/A GLY 587.A N ALA 526.A O no hydrogen 3.025 N/A ASN 589.A ND2 ASN 686.A O no hydrogen 2.318 N/A LEU 595.A N LYS 591.A O no hydrogen 2.446 N/A LEU 596.A N GLN 592.A O no hydrogen 3.008 N/A LYS 597.A N PRO 593.A O no hydrogen 2.772 N/A LYS 597.A NZ THR 702.A OG1 no hydrogen 2.760 N/A LYS 598.A N ILE 594.A O no hydrogen 2.997 N/A ILE 599.A N LEU 595.A O no hydrogen 2.860 N/A ILE 600.A N LEU 596.A O no hydrogen 2.893 N/A GLU 601.A N LYS 597.A O no hydrogen 2.892 N/A LYS 602.A N LYS 598.A O no hydrogen 2.792 N/A LYS 602.A N ILE 599.A O no hydrogen 3.147 N/A MET 603.A N ILE 599.A O no hydrogen 2.942 N/A ALA 604.A N ILE 600.A O no hydrogen 2.879 N/A THR 605.A N GLU 601.A O no hydrogen 3.210 N/A PHE 613.A N ASP 609.A O no hydrogen 3.094 N/A GLU 614.A N GLU 610.A O no hydrogen 2.984 N/A ILE 615.A N LYS 611.A O no hydrogen 2.914 N/A ILE 616.A N ARG 612.A O no hydrogen 2.932 N/A LYS 617.A N PHE 613.A O no hydrogen 2.963 N/A GLU 618.A N GLU 614.A O no hydrogen 2.956 N/A ALA 619.A N ILE 615.A O no hydrogen 2.835 N/A TYR 620.A N ILE 616.A O no hydrogen 3.041 N/A MET 621.A N LYS 617.A O no hydrogen 2.905 N/A ARG 622.A N GLU 618.A O no hydrogen 2.862 N/A SER 623.A N ALA 619.A O no hydrogen 2.940 N/A LEU 624.A N MET 621.A O no hydrogen 3.414 N/A PHE 627.A N LEU 624.A O no hydrogen 3.014 N/A ARG 628.A N ASN 625.A O no hydrogen 3.507 N/A ALA 629.A N ASN 626.A O no hydrogen 2.916 N/A GLN 631.A N GLN 631.A OE1 no hydrogen 2.791 N/A GLN 634.A NE2 HIS 633.A NE2 no hydrogen 3.513 N/A HIS 635.A N GLN 631.A O no hydrogen 2.984 N/A ALA 636.A N PRO 632.A O no hydrogen 2.797 N/A MET 637.A N HIS 633.A O no hydrogen 2.888 N/A TYR 638.A N GLN 634.A O no hydrogen 2.951 N/A TYR 638.A OH TRP 649.A O no hydrogen 3.088 N/A TYR 639.A N HIS 635.A O no hydrogen 2.990 N/A LEU 640.A N ALA 636.A O no hydrogen 2.749 N/A ARG 641.A N MET 637.A O no hydrogen 2.960 N/A LEU 642.A N TYR 638.A O no hydrogen 2.855 N/A LEU 643.A N TYR 639.A O no hydrogen 2.826 N/A MET 644.A N LEU 640.A O no hydrogen 3.093 N/A THR 645.A OG1 VAL 647.A O no hydrogen 3.569 N/A TRP 649.A N TYR 538.A OH no hydrogen 3.046 N/A TRP 649.A NE1 TYR 538.A O no hydrogen 2.588 N/A THR 650.A N GLU 653.A OE2 no hydrogen 2.297 N/A THR 650.A OG1 GLU 653.A OE2 no hydrogen 3.187 N/A LEU 654.A N THR 650.A O no hydrogen 3.217 N/A LYS 655.A N LYS 651.A O no hydrogen 2.846 N/A GLU 656.A N ASP 652.A O no hydrogen 2.860 N/A ALA 657.A N GLU 653.A O no hydrogen 3.274 N/A ASP 659.A N GLU 656.A O no hydrogen 3.150 N/A ARG 665.A NH2 ARG 665.A O no hydrogen 2.649 N/A LEU 666.A N THR 662.A O no hydrogen 3.502 N/A LYS 667.A N LEU 663.A O no hydrogen 2.956 N/A ALA 668.A N PRO 664.A O no hydrogen 2.891 N/A PHE 669.A N ARG 665.A O no hydrogen 2.885 N/A ILE 670.A N LEU 666.A O no hydrogen 2.884 N/A LEU 673.A N PHE 669.A O no hydrogen 2.859 N/A LEU 674.A N ILE 670.A O no hydrogen 2.817 N/A SER 675.A N GLN 672.A O no hydrogen 3.288 N/A SER 675.A OG GLN 672.A O no hydrogen 2.666 N/A HIS 678.A N PHE 533.A O no hydrogen 2.969 N/A ALA 681.A N LYS 512.A O no hydrogen 3.267 N/A LEU 683.A N TRP 514.A O no hydrogen 2.933 N/A HIS 684.A N ASN 527.A O no hydrogen 3.144 N/A GLY 685.A N LYS 516.A O no hydrogen 3.386 N/A ASN 686.A N LYS 525.A O no hydrogen 3.101 N/A ILE 687.A N GLY 685.A O no hydrogen 2.885 N/A ALA 691.A N THR 688.A OG1 no hydrogen 3.238 N/A ALA 692.A N THR 688.A O no hydrogen 3.046 N/A LEU 693.A N LYS 689.A O no hydrogen 2.973 N/A GLY 694.A N GLN 690.A O no hydrogen 2.938 N/A ILE 695.A N ALA 691.A O no hydrogen 2.830 N/A MET 696.A N ALA 692.A O no hydrogen 2.896 N/A GLN 697.A N LEU 693.A O no hydrogen 2.952 N/A MET 698.A N GLY 694.A O no hydrogen 2.822 N/A VAL 699.A N ILE 695.A O no hydrogen 2.971 N/A GLU 700.A N MET 696.A O no hydrogen 2.998 N/A ASP 701.A N GLN 697.A O no hydrogen 2.806 N/A THR 702.A N MET 698.A O no hydrogen 2.892 N/A THR 702.A OG1 MET 698.A O no hydrogen 2.515 N/A LEU 703.A N VAL 699.A O no hydrogen 3.002 N/A ILE 704.A N GLU 700.A O no hydrogen 2.933 N/A GLU 705.A N ASP 701.A O no hydrogen 2.834 N/A HIS 706.A N THR 702.A O no hydrogen 2.986 N/A HIS 706.A ND1 THR 702.A O no hydrogen 2.614 N/A ALA 707.A N LEU 703.A O no hydrogen 2.952 N/A THR 709.A OG1 LEU 674.A O no hydrogen 3.259 N/A THR 709.A OG1 SER 675.A O no hydrogen 3.540 N/A GLN 716.A N LEU 713.A O no hydrogen 3.175 N/A ARG 719.A NH1 ILE 866.A O no hydrogen 2.939 N/A ARG 719.A NH2 ILE 866.A O no hydrogen 3.369 N/A TYR 720.A OH ILE 578.A O no hydrogen 3.162 N/A GLN 724.A N PRO 940.A O no hydrogen 3.074 N/A LEU 725.A N GLN 724.A OE1 no hydrogen 3.300 N/A ASP 727.A N LEU 725.A O no hydrogen 2.782 N/A ARG 728.A N PRO 726.A O no hydrogen 2.702 N/A TRP 730.A NE1 SER 909.A OG no hydrogen 3.292 N/A GLN 735.A N HIS 911.A O no hydrogen 3.280 N/A ASN 737.A ND2 ARG 628.A O no hydrogen 3.084 N/A HIS 740.A N ASN 737.A OD1 no hydrogen 3.315 N/A HIS 740.A ND1 ASN 737.A OD1 no hydrogen 2.414 N/A SER 743.A N SER 806.A O no hydrogen 2.509 N/A SER 743.A OG SER 806.A O no hydrogen 3.187 N/A SER 743.A OG LYS 808.A O no hydrogen 3.073 N/A GLY 744.A N VAL 912.A O no hydrogen 3.141 N/A GLU 746.A N VAL 910.A O no hydrogen 3.380 N/A GLN 750.A NE2 VAL 723.A O no hydrogen 2.453 N/A THR 751.A OG1 ASP 752.A O no hydrogen 3.422 N/A THR 751.A OG1 GLN 798.A OE1 no hydrogen 3.377 N/A MET 753.A N ASP 752.A OD1 no hydrogen 2.558 N/A SER 755.A N MET 753.A O no hydrogen 2.750 N/A SER 755.A OG SER 757.A OG no hydrogen 3.310 N/A SER 757.A OG SER 755.A OG no hydrogen 3.310 N/A ASN 759.A N SER 755.A O no hydrogen 3.031 N/A MET 760.A N SER 757.A O no hydrogen 3.206 N/A PHE 761.A N SER 757.A O no hydrogen 2.982 N/A LEU 762.A N GLU 758.A O no hydrogen 2.880 N/A GLU 763.A N ASN 759.A O no hydrogen 2.932 N/A LEU 764.A N MET 760.A O no hydrogen 2.911 N/A PHE 765.A N PHE 761.A O no hydrogen 2.918 N/A ALA 766.A N LEU 762.A O no hydrogen 2.774 N/A GLN 767.A N GLU 763.A O no hydrogen 2.997 N/A ILE 768.A N LEU 764.A O no hydrogen 3.013 N/A ILE 769.A N PHE 765.A O no hydrogen 2.877 N/A SER 770.A N GLN 767.A O no hydrogen 3.067 N/A SER 770.A OG GLN 767.A O no hydrogen 2.361 N/A PHE 774.A N SER 770.A O no hydrogen 3.390 N/A ASN 775.A N GLU 771.A O no hydrogen 2.821 N/A THR 776.A N PRO 772.A O no hydrogen 2.815 N/A LEU 777.A N ALA 773.A O no hydrogen 2.924 N/A THR 779.A N PHE 774.A O no hydrogen 3.256 N/A THR 779.A OG1 PHE 774.A O no hydrogen 2.627 N/A GLU 781.A N THR 776.A O no hydrogen 2.578 N/A LEU 783.A N LEU 777.A O no hydrogen 3.340 N/A PHE 788.A N ILE 803.A O no hydrogen 2.481 N/A GLY 790.A N ARG 801.A O no hydrogen 2.950 N/A ARG 792.A N GLY 799.A O no hydrogen 2.625 N/A ARG 792.A NH2 LEU 640.A O no hydrogen 3.499 N/A ALA 794.A N ILE 797.A O no hydrogen 3.110 N/A ASN 795.A ND2 MET 644.A O no hydrogen 3.573 N/A ASN 795.A ND2 GLU 722.A OE1 no hydrogen 3.483 N/A ILE 797.A N ALA 794.A O no hydrogen 2.884 N/A GLN 798.A N ASP 752.A O no hydrogen 2.967 N/A LEU 800.A N TYR 749.A O no hydrogen 3.137 N/A ARG 801.A N GLY 790.A O no hydrogen 2.766 N/A ILE 804.A N ILE 745.A O no hydrogen 2.927 N/A SER 806.A N SER 743.A O no hydrogen 2.702 N/A SER 806.A OG LEU 783.A O no hydrogen 2.798 N/A LEU 813.A N PRO 809.A O no hydrogen 2.895 N/A GLU 814.A N PRO 810.A O no hydrogen 2.783 N/A SER 815.A N HIS 811.A O no hydrogen 2.861 N/A SER 815.A OG HIS 811.A O no hydrogen 2.843 N/A ARG 816.A N TYR 812.A O no hydrogen 3.083 N/A VAL 817.A N LEU 813.A O no hydrogen 2.829 N/A GLU 818.A N GLU 814.A O no hydrogen 2.851 N/A ALA 819.A N SER 815.A O no hydrogen 2.821 N/A PHE 820.A N ARG 816.A O no hydrogen 2.890 N/A LEU 821.A N VAL 817.A O no hydrogen 2.873 N/A ILE 822.A N GLU 818.A O no hydrogen 2.934 N/A THR 823.A N ALA 819.A O no hydrogen 2.860 N/A THR 823.A OG1 ALA 819.A O no hydrogen 2.601 N/A MET 824.A N PHE 820.A O no hydrogen 2.840 N/A GLU 825.A N LEU 821.A O no hydrogen 2.837 N/A LYS 826.A N ILE 822.A O no hydrogen 2.885 N/A SER 827.A N THR 823.A O no hydrogen 2.863 N/A ILE 828.A N GLU 825.A O no hydrogen 3.414 N/A MET 831.A N ILE 828.A O no hydrogen 2.948 N/A GLU 834.A N THR 832.A OG1 no hydrogen 3.216 N/A GLN 837.A N GLU 833.A O no hydrogen 2.919 N/A LYS 838.A N GLU 834.A O no hydrogen 2.877 N/A HIS 839.A N ALA 835.A O no hydrogen 2.770 N/A ILE 840.A N PHE 836.A O no hydrogen 2.965 N/A GLN 841.A N GLN 837.A O no hydrogen 2.943 N/A ALA 842.A N LYS 838.A O no hydrogen 2.906 N/A LEU 843.A N HIS 839.A O no hydrogen 2.911 N/A ALA 844.A N ILE 840.A O no hydrogen 2.931 N/A ILE 845.A N GLN 841.A O no hydrogen 2.943 N/A ARG 846.A N ALA 842.A O no hydrogen 2.864 N/A ARG 847.A N LEU 843.A O no hydrogen 2.881 N/A ARG 847.A NE ARG 847.A O no hydrogen 3.237 N/A LEU 848.A N ALA 844.A O no hydrogen 2.484 N/A ALA 856.A N LYS 853.A O no hydrogen 3.271 N/A SER 858.A N LEU 854.A O no hydrogen 3.297 N/A SER 858.A OG LEU 854.A O no hydrogen 2.858 N/A ALA 859.A N SER 855.A O no hydrogen 3.198 N/A LYS 860.A N ALA 856.A O no hydrogen 3.035 N/A TYR 861.A N GLU 857.A O no hydrogen 2.897 N/A TRP 862.A N SER 858.A O no hydrogen 2.781 N/A GLY 863.A N ALA 859.A O no hydrogen 2.839 N/A GLU 864.A N TYR 861.A O no hydrogen 3.005 N/A ILE 865.A N TYR 861.A O no hydrogen 2.866 N/A ILE 865.A N TRP 862.A O no hydrogen 2.896 N/A ILE 866.A N TRP 862.A O no hydrogen 2.889 N/A SER 867.A OG GLY 863.A O no hydrogen 3.273 N/A SER 867.A OG GLU 864.A O no hydrogen 2.909 N/A GLN 868.A N ILE 865.A O no hydrogen 2.986 N/A GLN 869.A N GLU 864.A O no hydrogen 3.064 N/A GLN 869.A NE2 SER 867.A O no hydrogen 3.264 N/A TYR 870.A OH GLN 868.A OE1 no hydrogen 2.593 N/A ARG 874.A N ASN 871.A O no hydrogen 3.333 N/A ARG 874.A NE GLU 864.A OE2 no hydrogen 3.226 N/A ARG 874.A NH2 GLU 864.A OE2 no hydrogen 2.374 N/A THR 877.A N ASP 873.A O no hydrogen 3.434 N/A THR 877.A OG1 ASP 873.A O no hydrogen 2.836 N/A GLU 878.A N ARG 874.A O no hydrogen 2.788 N/A VAL 879.A N ASP 875.A O no hydrogen 2.954 N/A ALA 880.A N ASN 876.A O no hydrogen 2.874 N/A TYR 881.A N THR 877.A O no hydrogen 2.935 N/A LEU 882.A N VAL 879.A O no hydrogen 3.033 N/A THR 884.A N TYR 881.A O no hydrogen 3.045 N/A THR 884.A OG1 TYR 881.A O no hydrogen 2.481 N/A THR 886.A N ASP 889.A OD2 no hydrogen 3.099 N/A ASP 889.A N THR 886.A OG1 no hydrogen 3.072 N/A ILE 890.A N LYS 887.A O no hydrogen 2.974 N/A ILE 891.A N LYS 887.A O no hydrogen 3.422 N/A LYS 892.A N GLU 888.A O no hydrogen 2.933 N/A PHE 893.A N ASP 889.A O no hydrogen 2.596 N/A TYR 894.A OH GLU 825.A OE1 no hydrogen 3.199 N/A LYS 895.A N ILE 891.A O no hydrogen 2.801 N/A GLU 896.A N GLU 896.A OE1 no hydrogen 2.866 N/A LEU 898.A N TYR 894.A O no hydrogen 2.789 N/A ALA 899.A N TYR 894.A O no hydrogen 2.711 N/A ALA 899.A N LYS 895.A O no hydrogen 3.383 N/A LYS 907.A N GLY 729.A O no hydrogen 3.435 N/A LYS 907.A NZ TYR 749.A OH no hydrogen 2.915 N/A VAL 908.A N TYR 748.A O no hydrogen 3.065 N/A SER 909.A N PHE 731.A O no hydrogen 3.010 N/A SER 909.A OG GLU 814.A OE2 no hydrogen 2.840 N/A VAL 910.A N GLU 746.A O no hydrogen 2.882 N/A HIS 911.A N TYR 733.A O no hydrogen 2.590 N/A VAL 912.A N GLY 744.A O no hydrogen 3.117 N/A LEU 913.A N GLN 735.A O no hydrogen 2.354 N/A THR 933.A N ASN 931.A OD1 no hydrogen 3.047 N/A PHE 935.A N ASN 931.A O no hydrogen 2.776 N/A LYS 936.A N MET 932.A O no hydrogen 2.866 N/A LYS 936.A NZ LEU 642.A O no hydrogen 2.968 N/A LYS 936.A NZ LEU 643.A O no hydrogen 3.437 N/A PHE 942.A N GLU 722.A O no hydrogen 2.906 N/A HIS 948.A N GLN 869.A O no hydrogen 2.812 N/A