Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bf7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 11.A NZ ARG 17.A O no hydrogen 2.753 N/A SER 12.A OG PHE 377.A O no hydrogen 2.752 N/A SER 12.A OG ARG 378.A O no hydrogen 3.561 N/A GLU 14.A N SER 12.A O no hydrogen 2.493 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 2.984 N/A ARG 17.A NE TYR 19.A OH no hydrogen 3.128 N/A GLU 18.A N SER 34.A O no hydrogen 2.468 N/A ARG 20.A N LEU 32.A O no hydrogen 3.141 N/A ARG 20.A NH2 ASP 220.A OD1 no hydrogen 2.352 N/A LEU 22.A N VAL 30.A O no hydrogen 2.930 N/A LEU 24.A N ILE 28.A O no hydrogen 2.930 N/A ALA 25.A N ALA 1.A O no hydrogen 3.338 N/A ASN 26.A ND2 VAL 233.A O no hydrogen 3.158 N/A GLY 27.A N LEU 24.A O no hydrogen 3.072 N/A ILE 28.A N LEU 24.A O no hydrogen 3.508 N/A LYS 29.A N MET 209.A O no hydrogen 2.933 N/A LYS 29.A NZ MET 209.A O no hydrogen 3.374 N/A VAL 30.A N LEU 22.A O no hydrogen 2.843 N/A LEU 31.A N VAL 211.A O no hydrogen 3.242 N/A LEU 32.A N ARG 20.A O no hydrogen 2.793 N/A ILE 33.A N VAL 213.A O no hydrogen 2.991 N/A SER 34.A N GLU 18.A O no hydrogen 2.509 N/A THR 37.A N ASP 35.A OD1 no hydrogen 3.465 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.711 N/A THR 38.A N ASP 35.A O no hydrogen 3.340 N/A THR 38.A OG1 LYS 40.A O no hydrogen 2.877 N/A SER 42.A N LEU 214.A O no hydrogen 2.724 N/A SER 42.A OG PHE 106.A O no hydrogen 2.870 N/A ALA 44.A N VAL 212.A O no hydrogen 2.568 N/A LEU 45.A N TYR 104.A O no hydrogen 2.543 N/A ASP 46.A N ALA 210.A O no hydrogen 2.685 N/A VAL 47.A N THR 102.A O no hydrogen 2.630 N/A HIS 48.A N LEU 208.A O no hydrogen 3.053 N/A SER 51.A N SER 98.A O no hydrogen 2.763 N/A LEU 52.A N GLY 99.A O no hydrogen 3.117 N/A PHE 64.A N GLY 60.A O no hydrogen 3.265 N/A LEU 65.A N LEU 61.A O no hydrogen 2.937 N/A GLU 66.A N SER 62.A O no hydrogen 2.897 N/A HIS 67.A N HIS 63.A O no hydrogen 3.042 N/A MET 68.A N PHE 64.A O no hydrogen 2.868 N/A LEU 69.A N LEU 65.A O no hydrogen 2.468 N/A PHE 70.A N HIS 67.A O no hydrogen 3.387 N/A THR 73.A N TYR 76.A O no hydrogen 3.212 N/A THR 73.A OG1 TYR 76.A O no hydrogen 2.957 N/A TYR 76.A N THR 73.A OG1 no hydrogen 2.705 N/A GLN 84.A N ASN 80.A O no hydrogen 2.386 N/A PHE 85.A N GLU 81.A O no hydrogen 2.862 N/A LEU 86.A N TYR 82.A O no hydrogen 2.943 N/A SER 87.A N SER 83.A O no hydrogen 2.847 N/A SER 93.A OG TYR 105.A O no hydrogen 2.462 N/A ASN 94.A N TYR 105.A O no hydrogen 3.192 N/A ALA 95.A N ASN 94.A OD1 no hydrogen 2.668 N/A SER 98.A N HIS 101.A O no hydrogen 2.888 N/A SER 98.A OG HIS 101.A O no hydrogen 2.704 N/A HIS 101.A N SER 98.A OG no hydrogen 2.783 N/A THR 102.A N VAL 47.A O no hydrogen 2.664 N/A THR 102.A OG1 ILE 49.A O no hydrogen 2.971 N/A ASN 103.A N PHE 96.A O no hydrogen 3.498 N/A TYR 104.A N LEU 45.A O no hydrogen 2.438 N/A PHE 106.A N ALA 43.A O no hydrogen 3.353 N/A ALA 116.A N HIS 112.A O no hydrogen 2.650 N/A LEU 117.A N LEU 113.A O no hydrogen 2.891 N/A ASP 118.A N GLU 114.A O no hydrogen 2.856 N/A ARG 119.A N GLY 115.A O no hydrogen 2.997 N/A ARG 119.A NH1 GLU 81.A OE2 no hydrogen 3.238 N/A PHE 120.A N LEU 117.A O no hydrogen 3.067 N/A ALA 121.A N LEU 117.A O no hydrogen 2.883 N/A GLN 122.A NE2 ASP 118.A OD1 no hydrogen 3.138 N/A PHE 124.A N ALA 121.A O no hydrogen 3.201 N/A SER 126.A N GLN 122.A O no hydrogen 2.846 N/A LYS 134.A N ASP 130.A O no hydrogen 3.377 N/A ASP 135.A N GLU 131.A O no hydrogen 2.988 N/A ARG 136.A N SER 132.A O no hydrogen 2.947 N/A GLU 137.A N ALA 133.A O no hydrogen 2.804 N/A VAL 138.A N LYS 134.A O no hydrogen 2.989 N/A ALA 140.A N ARG 136.A O no hydrogen 2.923 N/A VAL 141.A N GLU 137.A O no hydrogen 2.875 N/A ASP 142.A N VAL 138.A O no hydrogen 2.943 N/A SER 143.A N ASN 139.A O no hydrogen 2.879 N/A GLU 144.A N ALA 140.A O no hydrogen 2.906 N/A HIS 145.A N VAL 141.A O no hydrogen 2.872 N/A GLU 146.A N ASP 142.A O no hydrogen 2.867 N/A LYS 147.A N SER 143.A O no hydrogen 2.865 N/A ASN 148.A N GLU 144.A O no hydrogen 2.909 N/A ASN 148.A ND2 GLU 144.A OE2 no hydrogen 2.754 N/A VAL 149.A N GLU 146.A O no hydrogen 3.338 N/A ARG 155.A NH1 VAL 149.A O no hydrogen 3.545 N/A LEU 156.A N ASP 152.A O no hydrogen 2.900 N/A PHE 157.A N ALA 153.A O no hydrogen 2.840 N/A GLN 158.A N TRP 154.A O no hydrogen 2.803 N/A LEU 159.A N ARG 155.A O no hydrogen 2.838 N/A GLU 160.A N LEU 156.A O no hydrogen 2.929 N/A LYS 161.A N PHE 157.A O no hydrogen 2.953 N/A THR 163.A N LEU 159.A O no hydrogen 3.290 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.645 N/A ASN 165.A N PRO 247.A O no hydrogen 2.756 N/A LYS 167.A N ASN 165.A OD1 no hydrogen 2.918 N/A PHE 170.A N HIS 168.A ND1 no hydrogen 3.436 N/A SER 171.A N HIS 168.A O no hydrogen 2.870 N/A SER 171.A OG PRO 166.A O no hydrogen 3.166 N/A SER 171.A OG HIS 168.A O no hydrogen 2.411 N/A LYS 172.A N PRO 169.A O no hydrogen 3.366 N/A LYS 172.A NZ SER 51.A O no hydrogen 3.013 N/A LYS 178.A NZ ASN 139.A OD1 no hydrogen 2.822 N/A THR 180.A N ASN 177.A O no hydrogen 3.264 N/A THR 180.A N ASN 177.A OD1 no hydrogen 3.121 N/A THR 180.A OG1 ASN 177.A O no hydrogen 3.200 N/A THR 180.A OG1 ASN 177.A OD1 no hydrogen 3.224 N/A LEU 181.A N ASN 177.A O no hydrogen 2.913 N/A GLU 182.A N LYS 178.A O no hydrogen 2.956 N/A THR 183.A N TYR 179.A O no hydrogen 2.930 N/A THR 183.A OG1 LYS 178.A O no hydrogen 3.376 N/A ARG 184.A N TYR 179.A O no hydrogen 3.044 N/A GLN 187.A N THR 183.A O no hydrogen 3.349 N/A GLU 188.A N ARG 184.A O no hydrogen 3.247 N/A GLY 189.A N ASN 186.A O no hydrogen 3.196 N/A ILE 190.A N PRO 185.A O no hydrogen 2.732 N/A ARG 193.A N ASP 191.A OD1 no hydrogen 3.041 N/A GLU 195.A N ASP 191.A O no hydrogen 3.427 N/A LEU 196.A N VAL 192.A O no hydrogen 2.886 N/A LEU 197.A N ARG 193.A O no hydrogen 2.945 N/A LYS 198.A N GLN 194.A O no hydrogen 2.888 N/A LYS 198.A NZ GLU 195.A OE2 no hydrogen 3.322 N/A PHE 199.A N GLU 195.A O no hydrogen 2.845 N/A HIS 200.A N LEU 196.A O no hydrogen 2.958 N/A HIS 200.A NE2 PHE 124.A O no hydrogen 3.139 N/A SER 201.A N LEU 197.A O no hydrogen 2.922 N/A SER 201.A OG LEU 197.A O no hydrogen 2.666 N/A SER 201.A OG LYS 198.A O no hydrogen 3.084 N/A ALA 202.A N LYS 198.A O no hydrogen 2.910 N/A TYR 203.A N PHE 199.A O no hydrogen 2.927 N/A TYR 204.A N HIS 200.A O no hydrogen 3.291 N/A MET 209.A N GLY 27.A O no hydrogen 2.865 N/A ALA 210.A N ASP 46.A O no hydrogen 2.489 N/A VAL 211.A N LYS 29.A O no hydrogen 2.643 N/A VAL 212.A N ALA 44.A O no hydrogen 2.682 N/A VAL 213.A N LEU 31.A O no hydrogen 3.268 N/A LEU 214.A N SER 42.A O no hydrogen 2.540 N/A GLY 215.A N ILE 33.A O no hydrogen 2.990 N/A ARG 216.A NE THR 38.A O no hydrogen 2.552 N/A SER 218.A OG ASP 221.A OD1 no hydrogen 2.410 N/A ASP 220.A N SER 218.A OG no hydrogen 2.779 N/A ASP 221.A N SER 218.A OG no hydrogen 2.784 N/A LEU 222.A N ASP 221.A OD1 no hydrogen 2.505 N/A THR 223.A OG1 LEU 219.A O no hydrogen 2.246 N/A ASN 224.A N ASP 220.A O no hydrogen 2.940 N/A LEU 225.A N LEU 222.A O no hydrogen 3.264 N/A VAL 226.A N LEU 222.A O no hydrogen 2.925 N/A VAL 227.A N THR 223.A O no hydrogen 2.956 N/A PHE 230.A N VAL 226.A O no hydrogen 2.560 N/A LYS 236.A NZ SER 201.A O no hydrogen 2.566 N/A GLN 249.A NE2 GLU 245.A OE1 no hydrogen 3.120 N/A GLN 249.A NE2 HIS 246.A O no hydrogen 2.412 N/A GLU 250.A N PHE 248.A O no hydrogen 3.004 N/A HIS 252.A ND1 TYR 257.A OH no hydrogen 3.076 N/A LYS 254.A N VAL 431.A O no hydrogen 2.997 N/A LYS 254.A NZ GLU 429.A O no hydrogen 3.382 N/A GLN 255.A NE2 LEU 253.A O no hydrogen 3.635 N/A LYS 258.A NZ GLU 458.A OE1 no hydrogen 2.456 N/A ILE 259.A N ILE 435.A O no hydrogen 2.373 N/A ILE 265.A N LYS 263.A O no hydrogen 2.935 N/A LEU 268.A N VAL 332.A O no hydrogen 3.063 N/A TYR 269.A N ALA 434.A O no hydrogen 2.786 N/A VAL 270.A N ILE 330.A O no hydrogen 2.546 N/A THR 271.A N ARG 432.A O no hydrogen 3.380 N/A PHE 272.A N PHE 328.A O no hydrogen 2.387 N/A ILE 274.A N MET 326.A O no hydrogen 2.417 N/A GLN 278.A N ASP 276.A OD1 no hydrogen 2.774 N/A TYR 280.A N LEU 277.A O no hydrogen 2.913 N/A TYR 281.A N GLN 278.A O no hydrogen 3.418 N/A TYR 281.A OH GLU 403.A OE1 no hydrogen 3.093 N/A TYR 281.A OH GLU 403.A OE2 no hydrogen 2.870 N/A SER 283.A OG GLU 413.A O no hydrogen 2.668 N/A ASN 284.A N TYR 280.A O no hydrogen 2.792 N/A LEU 289.A N PRO 285.A O no hydrogen 2.820 N/A GLY 290.A N GLY 286.A O no hydrogen 2.831 N/A HIS 291.A N HIS 287.A O no hydrogen 2.901 N/A LEU 292.A N TYR 288.A O no hydrogen 2.898 N/A ILE 293.A N LEU 289.A O no hydrogen 2.744 N/A SER 300.A N GLY 297.A O no hydrogen 3.074 N/A SER 300.A OG HIS 295.A O no hydrogen 3.203 N/A SER 303.A OG GLY 297.A O no hydrogen 3.514 N/A SER 303.A OG SER 300.A O no hydrogen 2.472 N/A GLU 304.A N SER 300.A O no hydrogen 3.275 N/A LEU 305.A N LEU 301.A O no hydrogen 2.871 N/A LYS 306.A N LEU 302.A O no hydrogen 2.861 N/A LYS 306.A NZ ASP 557.A OD1 no hydrogen 3.397 N/A SER 307.A N SER 303.A O no hydrogen 2.841 N/A LYS 308.A N GLU 304.A O no hydrogen 2.533 N/A GLY 309.A N LYS 306.A O no hydrogen 2.799 N/A TRP 310.A N LEU 305.A O no hydrogen 2.872 N/A TRP 310.A NE1 GLU 337.A OE1 no hydrogen 2.374 N/A ASN 312.A ND2 ASP 333.A OD2 no hydrogen 3.521 N/A THR 313.A OG1 ASP 333.A OD2 no hydrogen 3.535 N/A VAL 315.A N ASN 331.A O no hydrogen 2.556 N/A GLY 317.A N ILE 329.A O no hydrogen 2.541 N/A LYS 319.A N PHE 327.A O no hydrogen 2.882 N/A LYS 319.A NZ GLU 160.A OE1 no hydrogen 2.494 N/A LYS 319.A NZ GLU 160.A OE2 no hydrogen 3.440 N/A ARG 323.A N GLU 100.A OE2 no hydrogen 2.664 N/A ARG 323.A NE GLU 242.A OE1 no hydrogen 3.135 N/A MET 326.A N ILE 274.A O no hydrogen 2.602 N/A PHE 327.A N LYS 319.A O no hydrogen 2.755 N/A ILE 329.A N GLY 317.A O no hydrogen 2.474 N/A ILE 330.A N VAL 270.A O no hydrogen 2.401 N/A ASN 331.A N VAL 315.A O no hydrogen 2.435 N/A VAL 332.A N LEU 268.A O no hydrogen 2.962 N/A ASP 333.A N THR 313.A O no hydrogen 2.705 N/A LEU 334.A N ARG 266.A O no hydrogen 3.010 N/A LEU 334.A N ASP 333.A OD1 no hydrogen 2.544 N/A THR 335.A OG1 TRP 310.A O no hydrogen 2.687 N/A GLY 338.A N THR 335.A OG1 no hydrogen 2.913 N/A LEU 339.A N THR 335.A O no hydrogen 2.588 N/A LEU 340.A N GLU 337.A O no hydrogen 3.001 N/A HIS 341.A ND1 GLU 337.A O no hydrogen 2.347 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 2.673 N/A ILE 345.A N HIS 341.A O no hydrogen 2.802 N/A ILE 346.A N VAL 342.A O no hydrogen 2.908 N/A LEU 347.A N GLU 343.A O no hydrogen 2.832 N/A HIS 348.A N ASP 344.A O no hydrogen 2.791 N/A HIS 348.A ND1 ASP 344.A O no hydrogen 2.270 N/A MET 349.A N ILE 345.A O no hydrogen 2.894 N/A PHE 350.A N ILE 346.A O no hydrogen 2.907 N/A GLN 351.A N LEU 347.A O no hydrogen 2.724 N/A TYR 352.A N HIS 348.A O no hydrogen 2.999 N/A ILE 353.A N MET 349.A O no hydrogen 2.928 N/A GLN 354.A N PHE 350.A O no hydrogen 2.767 N/A LYS 355.A N GLN 351.A O no hydrogen 2.846 N/A LYS 355.A NZ GLU 359.A OE2 no hydrogen 2.945 N/A LYS 355.A NZ PHE 477.A O no hydrogen 3.009 N/A LEU 356.A N TYR 352.A O no hydrogen 2.856 N/A ARG 357.A N ILE 353.A O no hydrogen 2.863 N/A ALA 358.A N GLN 354.A O no hydrogen 2.880 N/A GLU 359.A N LYS 355.A O no hydrogen 2.971 N/A GLY 360.A N LEU 356.A O no hydrogen 2.948 N/A GLN 362.A NE2 GLU 359.A O no hydrogen 2.982 N/A TRP 364.A NE1 GLN 362.A OE1 no hydrogen 3.080 N/A GLN 367.A N GLU 363.A O no hydrogen 2.814 N/A GLN 367.A NE2 ASP 371.A OD1 no hydrogen 3.016 N/A GLU 368.A N TRP 364.A O no hydrogen 2.928 N/A LEU 369.A N VAL 365.A O no hydrogen 2.850 N/A LYS 370.A N PHE 366.A O no hydrogen 2.889 N/A LYS 370.A NZ LEU 411.A O no hydrogen 2.353 N/A ASP 371.A N GLN 367.A O no hydrogen 2.821 N/A LEU 372.A N GLU 368.A O no hydrogen 2.948 N/A ASN 373.A N LEU 369.A O no hydrogen 2.943 N/A ALA 374.A N LYS 370.A O no hydrogen 2.822 N/A VAL 375.A N ASP 371.A O no hydrogen 2.930 N/A ALA 376.A N LEU 372.A O no hydrogen 2.969 N/A PHE 377.A N ASN 373.A O no hydrogen 2.847 N/A ARG 378.A N ALA 374.A O no hydrogen 2.781 N/A PHE 379.A N VAL 375.A O no hydrogen 2.954 N/A LYS 382.A N ASP 381.A OD1 no hydrogen 2.705 N/A LYS 382.A NZ ASP 35.A OD2 no hydrogen 3.344 N/A THR 389.A OG1 PRO 385.A O no hydrogen 2.706 N/A SER 390.A OG GLY 387.A O no hydrogen 2.509 N/A LYS 391.A N GLY 387.A O no hydrogen 2.982 N/A ILE 392.A N TYR 388.A O no hydrogen 2.886 N/A ALA 393.A N THR 389.A O no hydrogen 2.835 N/A GLY 394.A N SER 390.A O no hydrogen 2.975 N/A ILE 395.A N LYS 391.A O no hydrogen 3.052 N/A TYR 398.A N ILE 395.A O no hydrogen 3.155 N/A GLU 403.A N PRO 400.A O no hydrogen 2.634 N/A THR 406.A OG1 GLU 402.A O no hydrogen 3.316 N/A GLU 412.A N LYS 282.A O no hydrogen 3.199 N/A GLU 412.A N GLU 412.A OE1 no hydrogen 2.732 N/A ILE 419.A N ARG 415.A O no hydrogen 3.179 N/A GLU 420.A N PRO 416.A O no hydrogen 2.915 N/A MET 421.A N ASP 417.A O no hydrogen 2.817 N/A VAL 422.A N LEU 418.A O no hydrogen 2.904 N/A LEU 423.A N ILE 419.A O no hydrogen 2.850 N/A ASP 424.A N GLU 420.A O no hydrogen 2.804 N/A LYS 425.A N MET 421.A O no hydrogen 3.067 N/A LEU 426.A N LEU 423.A O no hydrogen 3.245 N/A ARG 427.A NE ASP 424.A OD1 no hydrogen 2.437 N/A ASN 430.A N ARG 427.A O no hydrogen 2.751 N/A ASN 430.A ND2 LYS 425.A O no hydrogen 2.434 N/A ARG 432.A N THR 271.A O no hydrogen 3.331 N/A ARG 432.A NH2 THR 163.A O no hydrogen 2.612 N/A VAL 433.A N GLN 255.A O no hydrogen 2.867 N/A ALA 434.A N TYR 269.A O no hydrogen 2.893 N/A ILE 435.A N TYR 257.A O no hydrogen 2.683 N/A VAL 436.A N ASN 267.A O no hydrogen 2.845 N/A SER 437.A N ILE 259.A O no hydrogen 2.559 N/A SER 437.A OG SER 439.A OG no hydrogen 2.485 N/A SER 439.A N SER 437.A OG no hydrogen 2.936 N/A SER 439.A OG SER 437.A OG no hydrogen 2.485 N/A THR 444.A OG1 GLN 454.A O no hydrogen 3.546 N/A ARG 446.A N TYR 455.A O no hydrogen 2.978 N/A THR 447.A OG1 ASP 445.A O no hydrogen 3.122 N/A GLU 448.A N THR 453.A O no hydrogen 2.422 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.818 N/A THR 453.A OG1 VAL 260.A O no hydrogen 3.306 N/A TYR 455.A N ARG 446.A O no hydrogen 2.835 N/A GLN 457.A NE2 TYR 257.A OH no hydrogen 3.246 N/A LYS 466.A N ASP 462.A O no hydrogen 2.938 N/A LYS 467.A N GLU 463.A O no hydrogen 2.817 N/A TRP 468.A N ILE 465.A O no hydrogen 2.709 N/A GLN 469.A N ILE 465.A O no hydrogen 3.118 N/A ASN 470.A N LYS 466.A O no hydrogen 3.296 N/A ASN 474.A ND2 GLN 354.A O no hydrogen 3.684 N/A LYS 478.A N GLY 299.A O no hydrogen 2.878 N/A ASN 483.A N GLU 368.A OE2 no hydrogen 2.551 N/A PHE 485.A N ASN 483.A OD1 no hydrogen 2.636 N/A PHE 490.A N GLU 491.A OE1 no hydrogen 2.884 N/A ALA 499.A N LYS 497.A O no hydrogen 3.033 N/A THR 500.A OG1 TYR 502.A O no hydrogen 2.683 N/A TYR 502.A N THR 500.A OG1 no hydrogen 2.999 N/A TYR 502.A OH ASP 874.A OD1 no hydrogen 2.821 N/A ALA 504.A N PHE 516.A O no hydrogen 3.225 N/A ILE 506.A N LEU 514.A O no hydrogen 2.925 N/A LYS 507.A NZ LEU 694.A O no hydrogen 3.329 N/A LYS 507.A NZ GLN 698.A OE1 no hydrogen 3.508 N/A THR 509.A N SER 512.A O no hydrogen 2.935 N/A LEU 514.A N LYS 507.A O no hydrogen 2.771 N/A TRP 515.A N ALA 682.A O no hydrogen 3.116 N/A PHE 516.A N ALA 504.A O no hydrogen 3.122 N/A LYS 517.A N LEU 684.A O no hydrogen 3.389 N/A LYS 517.A NZ GLN 518.A O no hydrogen 2.448 N/A LYS 521.A N ASP 520.A OD1 no hydrogen 2.581 N/A PHE 522.A N ASP 519.A OD1 no hydrogen 2.756 N/A LEU 524.A N ASP 519.A OD2 no hydrogen 3.132 N/A ALA 527.A N GLY 588.A O no hydrogen 2.392 N/A ASN 528.A N HIS 685.A O no hydrogen 2.478 N/A LEU 529.A N VAL 586.A O no hydrogen 2.674 N/A ASN 530.A N LEU 683.A O no hydrogen 2.470 N/A PHE 531.A N LEU 584.A O no hydrogen 2.596 N/A GLU 532.A N GLU 681.A O no hydrogen 2.839 N/A PHE 533.A N MET 582.A O no hydrogen 2.601 N/A PHE 534.A N HIS 679.A O no hydrogen 2.338 N/A HIS 544.A N ASP 541.A OD1 no hydrogen 3.010 N/A HIS 544.A ND1 ASP 541.A OD1 no hydrogen 2.997 N/A HIS 544.A ND1 ASP 541.A OD2 no hydrogen 2.443 N/A SER 545.A OG ASP 541.A O no hydrogen 3.047 N/A SER 545.A OG PRO 542.A O no hydrogen 2.403 N/A ASN 546.A N PRO 542.A O no hydrogen 2.830 N/A MET 547.A N LEU 543.A O no hydrogen 2.956 N/A ALA 548.A N HIS 544.A O no hydrogen 2.781 N/A TYR 549.A N SER 545.A O no hydrogen 2.882 N/A LEU 550.A N ASN 546.A O no hydrogen 2.898 N/A TYR 551.A N MET 547.A O no hydrogen 2.796 N/A LEU 552.A N ALA 548.A O no hydrogen 2.808 N/A GLU 553.A N TYR 549.A O no hydrogen 2.861 N/A LEU 554.A N LEU 550.A O no hydrogen 2.892 N/A LEU 555.A N TYR 551.A O no hydrogen 2.849 N/A LYS 556.A N LEU 552.A O no hydrogen 2.875 N/A LYS 556.A NZ LEU 575.A O no hydrogen 3.401 N/A ASP 557.A N GLU 553.A O no hydrogen 2.889 N/A SER 558.A N LEU 555.A O no hydrogen 3.031 N/A ASN 560.A N ASP 557.A O no hydrogen 3.426 N/A ALA 563.A N LEU 559.A O no hydrogen 2.664 N/A GLU 567.A N ALA 563.A O no hydrogen 2.974 N/A LEU 568.A N TYR 564.A O no hydrogen 2.821 N/A ALA 569.A N ALA 566.A O no hydrogen 2.885 N/A GLY 570.A N GLU 567.A O no hydrogen 3.281 N/A LEU 571.A N ALA 566.A O no hydrogen 2.844 N/A SER 572.A N LYS 587.A O no hydrogen 2.700 N/A ASP 574.A N SER 585.A O no hydrogen 2.936 N/A GLN 576.A N TYR 583.A O no hydrogen 2.675 N/A THR 578.A N GLY 581.A O no hydrogen 2.349 N/A THR 578.A OG1 GLY 581.A O no hydrogen 2.828 N/A GLY 581.A N THR 578.A OG1 no hydrogen 2.357 N/A MET 582.A N PHE 533.A O no hydrogen 2.910 N/A TYR 583.A N GLN 576.A O no hydrogen 2.382 N/A LEU 584.A N PHE 531.A O no hydrogen 2.686 N/A SER 585.A N ASP 574.A O no hydrogen 2.766 N/A SER 585.A OG LEU 529.A O no hydrogen 3.556 N/A VAL 586.A N LEU 529.A O no hydrogen 2.836 N/A LYS 587.A N SER 572.A O no hydrogen 2.596 N/A GLY 588.A N ALA 527.A O no hydrogen 2.920 N/A LYS 592.A NZ GLU 484.A O no hydrogen 2.453 N/A GLN 593.A NE2 ALA 527.A O no hydrogen 3.526 N/A LEU 596.A N LYS 592.A O no hydrogen 2.606 N/A LEU 597.A N GLN 593.A O no hydrogen 2.860 N/A LYS 598.A N PRO 594.A O no hydrogen 2.726 N/A LYS 599.A N ILE 595.A O no hydrogen 3.043 N/A ILE 600.A N LEU 596.A O no hydrogen 2.808 N/A ILE 601.A N LEU 597.A O no hydrogen 2.840 N/A GLU 602.A N LYS 598.A O no hydrogen 2.954 N/A LYS 603.A N LYS 599.A O no hydrogen 2.904 N/A MET 604.A N ILE 600.A O no hydrogen 2.892 N/A ALA 605.A N ILE 601.A O no hydrogen 2.807 N/A THR 606.A N GLU 602.A O no hydrogen 2.914 N/A THR 606.A OG1 GLU 602.A O no hydrogen 2.462 N/A PHE 614.A N ASP 610.A O no hydrogen 3.208 N/A GLU 615.A N GLU 611.A O no hydrogen 2.992 N/A ILE 616.A N LYS 612.A O no hydrogen 2.869 N/A ILE 617.A N ARG 613.A O no hydrogen 2.945 N/A LYS 618.A N PHE 614.A O no hydrogen 2.937 N/A LYS 618.A NZ LEU 659.A O no hydrogen 3.512 N/A GLU 619.A N GLU 615.A O no hydrogen 2.884 N/A ALA 620.A N ILE 616.A O no hydrogen 2.750 N/A TYR 621.A N ILE 617.A O no hydrogen 2.952 N/A MET 622.A N LYS 618.A O no hydrogen 2.942 N/A ARG 623.A N GLU 619.A O no hydrogen 2.834 N/A SER 624.A N ALA 620.A O no hydrogen 2.932 N/A LEU 625.A N MET 622.A O no hydrogen 3.303 N/A ASN 627.A N ARG 623.A O no hydrogen 3.293 N/A PHE 628.A N LEU 625.A O no hydrogen 2.895 N/A ALA 630.A N ASN 627.A O no hydrogen 2.910 N/A GLN 635.A NE2 HIS 634.A NE2 no hydrogen 3.551 N/A HIS 636.A N GLN 632.A O no hydrogen 2.954 N/A ALA 637.A N PRO 633.A O no hydrogen 2.810 N/A MET 638.A N HIS 634.A O no hydrogen 2.837 N/A TYR 639.A N GLN 635.A O no hydrogen 2.967 N/A TYR 640.A N HIS 636.A O no hydrogen 3.041 N/A LEU 641.A N ALA 637.A O no hydrogen 2.767 N/A ARG 642.A N MET 638.A O no hydrogen 2.972 N/A ARG 642.A NE MET 638.A O no hydrogen 3.280 N/A LEU 643.A N TYR 639.A O no hydrogen 2.769 N/A LEU 644.A N TYR 640.A O no hydrogen 2.861 N/A MET 645.A N LEU 641.A O no hydrogen 3.165 N/A GLU 647.A N THR 646.A OG1 no hydrogen 2.540 N/A TRP 650.A N TYR 539.A OH no hydrogen 3.207 N/A TRP 650.A NE1 TYR 539.A O no hydrogen 3.024 N/A THR 651.A N GLU 654.A OE2 no hydrogen 2.322 N/A LEU 655.A N THR 651.A O no hydrogen 3.176 N/A LYS 656.A N LYS 652.A O no hydrogen 2.822 N/A GLU 657.A N ASP 653.A O no hydrogen 2.921 N/A ALA 658.A N GLU 654.A O no hydrogen 3.098 N/A ASP 660.A N GLU 657.A O no hydrogen 3.408 N/A ARG 666.A N THR 663.A OG1 no hydrogen 3.352 N/A ARG 666.A NH2 ARG 666.A O no hydrogen 2.515 N/A LEU 667.A N THR 663.A O no hydrogen 2.890 N/A LYS 668.A N LEU 664.A O no hydrogen 2.868 N/A ALA 669.A N PRO 665.A O no hydrogen 2.900 N/A PHE 670.A N ARG 666.A O no hydrogen 3.008 N/A ILE 671.A N LEU 667.A O no hydrogen 3.039 N/A LEU 674.A N PHE 670.A O no hydrogen 2.674 N/A LEU 675.A N ILE 671.A O no hydrogen 2.663 N/A SER 676.A N GLN 673.A O no hydrogen 3.443 N/A SER 676.A OG GLN 673.A O no hydrogen 2.728 N/A HIS 679.A N PHE 534.A O no hydrogen 2.741 N/A GLU 681.A N GLU 532.A O no hydrogen 3.051 N/A ALA 682.A N LYS 513.A O no hydrogen 3.261 N/A LEU 683.A N ASN 530.A O no hydrogen 2.730 N/A LEU 684.A N TRP 515.A O no hydrogen 3.327 N/A HIS 685.A N ASN 528.A O no hydrogen 2.638 N/A ASN 687.A N LYS 526.A O no hydrogen 3.224 N/A ASN 687.A ND2 GLU 491.A O no hydrogen 3.164 N/A ALA 692.A N THR 689.A OG1 no hydrogen 2.886 N/A ALA 693.A N THR 689.A O no hydrogen 3.182 N/A LEU 694.A N LYS 690.A O no hydrogen 2.899 N/A GLY 695.A N GLN 691.A O no hydrogen 2.935 N/A ILE 696.A N ALA 692.A O no hydrogen 2.937 N/A MET 697.A N ALA 693.A O no hydrogen 2.968 N/A GLN 698.A N LEU 694.A O no hydrogen 2.846 N/A MET 699.A N GLY 695.A O no hydrogen 2.832 N/A VAL 700.A N ILE 696.A O no hydrogen 3.013 N/A GLU 701.A N MET 697.A O no hydrogen 3.037 N/A ASP 702.A N GLN 698.A O no hydrogen 2.838 N/A THR 703.A N MET 699.A O no hydrogen 2.947 N/A THR 703.A OG1 MET 699.A O no hydrogen 2.590 N/A LEU 704.A N VAL 700.A O no hydrogen 2.971 N/A ILE 705.A N GLU 701.A O no hydrogen 2.959 N/A GLU 706.A N ASP 702.A O no hydrogen 2.822 N/A HIS 707.A N THR 703.A O no hydrogen 2.935 N/A ALA 708.A N LEU 704.A O no hydrogen 2.947 N/A HIS 709.A N ILE 705.A O no hydrogen 3.122 N/A THR 710.A OG1 LEU 704.A O no hydrogen 3.372 N/A GLN 717.A N LEU 714.A O no hydrogen 3.000 N/A ARG 720.A NH1 ILE 867.A O no hydrogen 2.402 N/A ARG 720.A NH2 ILE 867.A O no hydrogen 3.048 N/A GLN 725.A N PRO 941.A O no hydrogen 2.700 N/A LEU 726.A N GLN 725.A OE1 no hydrogen 3.006 N/A GLN 736.A N HIS 912.A O no hydrogen 2.842 N/A GLN 736.A NE2 GLN 735.A O no hydrogen 2.697 N/A ARG 737.A NH1 ARG 916.A O no hydrogen 3.329 N/A HIS 741.A NE2 ALA 630.A O no hydrogen 2.932 N/A SER 744.A N SER 807.A O no hydrogen 3.278 N/A SER 744.A OG SER 807.A O no hydrogen 2.397 N/A SER 744.A OG LYS 809.A O no hydrogen 3.224 N/A GLY 745.A N VAL 913.A O no hydrogen 2.412 N/A ILE 746.A N ILE 805.A O no hydrogen 3.122 N/A GLU 747.A N VAL 911.A O no hydrogen 3.093 N/A ILE 748.A N PHE 803.A O no hydrogen 3.143 N/A TYR 749.A N VAL 909.A O no hydrogen 2.674 N/A TYR 750.A N LEU 801.A O no hydrogen 2.458 N/A GLN 751.A NE2 VAL 724.A O no hydrogen 2.328 N/A MET 754.A N ASP 753.A OD1 no hydrogen 2.671 N/A SER 756.A N MET 754.A O no hydrogen 2.919 N/A SER 756.A OG SER 758.A OG no hydrogen 3.006 N/A SER 758.A OG SER 756.A OG no hydrogen 3.006 N/A ASN 760.A N SER 756.A O no hydrogen 3.133 N/A MET 761.A N SER 758.A O no hydrogen 3.118 N/A PHE 762.A N SER 758.A O no hydrogen 2.898 N/A LEU 763.A N GLU 759.A O no hydrogen 2.910 N/A GLU 764.A N ASN 760.A O no hydrogen 2.906 N/A LEU 765.A N MET 761.A O no hydrogen 2.907 N/A PHE 766.A N PHE 762.A O no hydrogen 2.929 N/A ALA 767.A N LEU 763.A O no hydrogen 2.826 N/A GLN 768.A N GLU 764.A O no hydrogen 2.889 N/A GLN 768.A NE2 HIS 840.A O no hydrogen 2.464 N/A ILE 769.A N LEU 765.A O no hydrogen 2.914 N/A ILE 770.A N PHE 766.A O no hydrogen 3.315 N/A SER 771.A N GLN 768.A O no hydrogen 3.411 N/A SER 771.A OG GLN 768.A O no hydrogen 3.009 N/A PHE 775.A N SER 771.A O no hydrogen 2.940 N/A ASN 776.A N GLU 772.A O no hydrogen 2.723 N/A THR 777.A N PRO 773.A O no hydrogen 2.868 N/A LEU 778.A N ALA 774.A O no hydrogen 2.936 N/A THR 780.A OG1 PHE 775.A O no hydrogen 2.731 N/A GLU 782.A N THR 777.A O no hydrogen 2.522 N/A LEU 784.A N LEU 778.A O no hydrogen 3.393 N/A PHE 789.A N ILE 804.A O no hydrogen 2.324 N/A ALA 795.A N ILE 798.A O no hydrogen 3.013 N/A ILE 798.A N ALA 795.A O no hydrogen 2.715 N/A GLN 799.A N ASP 753.A O no hydrogen 2.853 N/A GLN 799.A NE2 GLU 759.A O no hydrogen 3.432 N/A LEU 801.A N TYR 750.A O no hydrogen 2.720 N/A ARG 802.A N GLY 791.A O no hydrogen 2.924 N/A PHE 803.A N ILE 748.A O no hydrogen 2.856 N/A ILE 804.A N PHE 789.A O no hydrogen 2.300 N/A ILE 805.A N ILE 746.A O no hydrogen 3.277 N/A GLN 806.A N ILE 787.A O no hydrogen 2.894 N/A SER 807.A N SER 744.A O no hydrogen 3.004 N/A LEU 814.A N PRO 810.A O no hydrogen 2.749 N/A GLU 815.A N PRO 811.A O no hydrogen 2.782 N/A SER 816.A N HIS 812.A O no hydrogen 2.844 N/A SER 816.A OG HIS 812.A O no hydrogen 2.900 N/A ARG 817.A N TYR 813.A O no hydrogen 3.044 N/A VAL 818.A N LEU 814.A O no hydrogen 2.884 N/A GLU 819.A N GLU 815.A O no hydrogen 2.862 N/A ALA 820.A N SER 816.A O no hydrogen 2.850 N/A PHE 821.A N ARG 817.A O no hydrogen 2.926 N/A LEU 822.A N VAL 818.A O no hydrogen 2.870 N/A ILE 823.A N GLU 819.A O no hydrogen 2.877 N/A THR 824.A N ALA 820.A O no hydrogen 2.881 N/A THR 824.A OG1 ALA 820.A O no hydrogen 2.546 N/A MET 825.A N PHE 821.A O no hydrogen 2.886 N/A GLU 826.A N LEU 822.A O no hydrogen 2.833 N/A LYS 827.A N ILE 823.A O no hydrogen 2.929 N/A SER 828.A N THR 824.A O no hydrogen 2.872 N/A ILE 829.A N GLU 826.A O no hydrogen 3.391 N/A ASP 831.A N LYS 827.A O no hydrogen 3.194 N/A MET 832.A N ILE 829.A O no hydrogen 2.956 N/A ALA 836.A N THR 833.A OG1 no hydrogen 2.972 N/A PHE 837.A N THR 833.A O no hydrogen 3.419 N/A GLN 838.A N GLU 834.A O no hydrogen 2.918 N/A GLN 838.A NE2 GLU 834.A OE2 no hydrogen 3.014 N/A LYS 839.A N GLU 835.A O no hydrogen 2.859 N/A HIS 840.A N ALA 836.A O no hydrogen 2.813 N/A ILE 841.A N PHE 837.A O no hydrogen 2.933 N/A GLN 842.A N GLN 838.A O no hydrogen 2.954 N/A ALA 843.A N LYS 839.A O no hydrogen 2.894 N/A LEU 844.A N HIS 840.A O no hydrogen 2.985 N/A ALA 845.A N ILE 841.A O no hydrogen 2.887 N/A ILE 846.A N GLN 842.A O no hydrogen 2.995 N/A ARG 847.A N ALA 843.A O no hydrogen 2.841 N/A ARG 848.A N LEU 844.A O no hydrogen 2.808 N/A ARG 848.A NE ARG 848.A O no hydrogen 3.070 N/A LEU 849.A N ALA 845.A O no hydrogen 2.514 N/A LYS 851.A NZ ASP 39.A OD2 no hydrogen 2.729 N/A LYS 853.A NZ LYS 851.A O no hydrogen 3.252 N/A ALA 857.A N LYS 854.A O no hydrogen 3.174 N/A GLU 858.A N LYS 854.A O no hydrogen 3.510 N/A SER 859.A N LEU 855.A O no hydrogen 3.123 N/A SER 859.A OG LEU 855.A O no hydrogen 2.651 N/A ALA 860.A N SER 856.A O no hydrogen 2.976 N/A LYS 861.A N ALA 857.A O no hydrogen 3.242 N/A TYR 862.A N GLU 858.A O no hydrogen 2.906 N/A TRP 863.A N SER 859.A O no hydrogen 2.782 N/A GLY 864.A N ALA 860.A O no hydrogen 2.833 N/A GLU 865.A N LYS 861.A O no hydrogen 2.999 N/A GLU 865.A N TYR 862.A O no hydrogen 2.851 N/A ILE 866.A N TYR 862.A O no hydrogen 2.893 N/A ILE 867.A N TRP 863.A O no hydrogen 2.877 N/A SER 868.A OG GLY 864.A O no hydrogen 2.987 N/A SER 868.A OG GLU 865.A O no hydrogen 2.726 N/A GLN 869.A N ILE 866.A O no hydrogen 3.081 N/A GLN 869.A NE2 GLU 681.A OE1 no hydrogen 3.124 N/A GLN 870.A N GLU 865.A O no hydrogen 3.051 N/A GLN 870.A NE2 SER 868.A O no hydrogen 2.989 N/A TYR 871.A OH GLU 681.A OE2 no hydrogen 3.012 N/A TYR 871.A OH GLN 869.A OE1 no hydrogen 2.336 N/A ARG 875.A N ASN 872.A O no hydrogen 3.469 N/A ARG 875.A NE ASN 872.A O no hydrogen 3.181 N/A THR 878.A N ASP 874.A O no hydrogen 3.315 N/A THR 878.A OG1 ASP 874.A O no hydrogen 2.645 N/A GLU 879.A N ARG 875.A O no hydrogen 2.861 N/A VAL 880.A N ASP 876.A O no hydrogen 2.911 N/A ALA 881.A N ASN 877.A O no hydrogen 2.906 N/A TYR 882.A N THR 878.A O no hydrogen 2.942 N/A LEU 883.A N GLU 879.A O no hydrogen 2.709 N/A LYS 884.A N VAL 880.A O no hydrogen 2.991 N/A THR 885.A N TYR 882.A O no hydrogen 2.812 N/A THR 885.A OG1 TYR 882.A O no hydrogen 2.510 N/A THR 887.A N ASP 890.A OD2 no hydrogen 2.478 N/A LYS 888.A NZ GLU 830.A O no hydrogen 2.967 N/A LYS 888.A NZ MET 832.A O no hydrogen 2.995 N/A ASP 890.A N THR 887.A OG1 no hydrogen 2.680 N/A ILE 891.A N LYS 888.A O no hydrogen 3.025 N/A ILE 892.A N LYS 888.A O no hydrogen 3.050 N/A LYS 893.A N GLU 889.A O no hydrogen 2.871 N/A PHE 894.A N ASP 890.A O no hydrogen 2.823 N/A TYR 895.A N ILE 891.A O no hydrogen 2.785 N/A TYR 895.A N ILE 892.A O no hydrogen 2.804 N/A LYS 896.A N ILE 892.A O no hydrogen 2.834 N/A LEU 899.A N TYR 895.A O no hydrogen 2.698 N/A ALA 900.A N TYR 895.A O no hydrogen 2.503 N/A ARG 905.A N GLU 897.A O no hydrogen 3.232 N/A VAL 909.A N TYR 749.A O no hydrogen 3.120 N/A SER 910.A N PHE 732.A O no hydrogen 3.195 N/A SER 910.A OG GLU 815.A OE2 no hydrogen 3.502 N/A VAL 911.A N GLU 747.A O no hydrogen 2.840 N/A HIS 912.A N TYR 734.A O no hydrogen 2.725 N/A VAL 913.A N GLY 745.A O no hydrogen 2.644 N/A LEU 914.A N GLN 736.A O no hydrogen 2.407 N/A MET 918.A N ALA 915.A O no hydrogen 3.193 N/A THR 934.A N ASN 932.A OD1 no hydrogen 3.161 N/A PHE 936.A N ASN 932.A O no hydrogen 2.463 N/A LYS 937.A N MET 933.A O no hydrogen 2.860 N/A LYS 937.A NZ LEU 643.A O no hydrogen 3.509 N/A LYS 937.A NZ LEU 644.A O no hydrogen 2.699 N/A LEU 940.A N LYS 937.A O no hydrogen 3.149 N/A PHE 943.A N GLU 723.A O no hydrogen 2.896 N/A