Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msh_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 3.241 N/A VAL 8.A N LYS 5.A O no hydrogen 2.970 N/A GLN 9.A N LYS 5.A O no hydrogen 2.944 N/A GLN 11.A N VAL 8.A O no hydrogen 3.077 N/A GLN 11.A NE2 LEU 56.A O no hydrogen 3.306 N/A GLN 12.A N GLN 9.A O no hydrogen 3.301 N/A SER 13.A N GLN 9.A O no hydrogen 2.882 N/A SER 13.A OG GLN 9.A O no hydrogen 3.242 N/A SER 13.A OG GLN 9.A OE1 no hydrogen 2.545 N/A ALA 16.A N GLN 12.A O no hydrogen 2.567 N/A ALA 17.A N PRO 14.A O no hydrogen 3.327 N/A GLY 20.A N ALA 17.A O no hydrogen 3.169 N/A THR 21.A OG1 ALA 17.A O no hydrogen 2.361 N/A LYS 28.A N LYS 24.A O no hydrogen 3.144 N/A GLU 29.A N SER 26.A O no hydrogen 2.987 N/A ARG 30.A N SER 26.A O no hydrogen 2.702 N/A ARG 30.A NH2 GLU 29.A OE2 no hydrogen 3.316 N/A ARG 31.A NE GLY 27.A O no hydrogen 2.779 N/A ARG 31.A NH2 ALA 16.A O no hydrogen 3.433 N/A ARG 31.A NH2 GLY 27.A O no hydrogen 3.211 N/A ALA 33.A N GLU 29.A O no hydrogen 2.911 N/A GLY 34.A N ARG 30.A O no hydrogen 2.849 N/A ASP 35.A N ARG 31.A O no hydrogen 2.877 N/A LYS 36.A N ASP 32.A O no hydrogen 2.742 N/A ASP 37.A N ALA 33.A O no hydrogen 3.127 N/A GLU 39.A N ASP 35.A O no hydrogen 3.067 N/A GLN 40.A N LYS 36.A O no hydrogen 2.958 N/A GLU 41.A N ASP 37.A O no hydrogen 2.771 N/A LEU 42.A N LYS 38.A O no hydrogen 2.943 N/A SER 43.A N GLN 40.A O no hydrogen 3.437 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.721 N/A GLN 50.A N GLN 50.A OE1 no hydrogen 2.770 N/A LEU 56.A N LEU 53.A O no hydrogen 2.706 N/A VAL 57.A N LEU 53.A O no hydrogen 2.786 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.657 N/A GLY 61.A N VAL 57.A O no hydrogen 2.671 N/A GLU 62.A N GLU 58.A O no hydrogen 2.874 N/A ASP 64.A N LEU 60.A O no hydrogen 2.891 N/A THR 65.A N GLY 61.A O no hydrogen 2.819 N/A THR 65.A OG1 GLY 61.A O no hydrogen 2.661 N/A SER 66.A N GLU 62.A O no hydrogen 3.145 N/A LEU 67.A N ASP 64.A O no hydrogen 2.797 N/A TYR 68.A N THR 65.A O no hydrogen 3.406 N/A ARG 69.A N THR 65.A O no hydrogen 3.088 N/A SER 81.A OG GLN 78.A O no hydrogen 2.505 N/A SER 82.A OG GLN 78.A O no hydrogen 3.411 N/A THR 83.A N ILE 79.A O no hydrogen 3.059 N/A THR 83.A OG1 ILE 79.A O no hydrogen 2.734 N/A THR 84.A N ARG 80.A O no hydrogen 3.076 N/A THR 84.A OG1 ARG 80.A O no hydrogen 2.394 N/A THR 84.A OG1 MET 110.A O no hydrogen 3.372 N/A MET 86.A N THR 83.A O no hydrogen 3.061 N/A THR 87.A N THR 83.A O no hydrogen 2.768 N/A THR 87.A OG1 THR 83.A O no hydrogen 2.415 N/A SER 88.A N THR 84.A O no hydrogen 3.250 N/A SER 88.A OG THR 84.A O no hydrogen 2.879 N/A LYS 91.A NZ LEU 103.A O no hydrogen 3.128 N/A LEU 93.A N PRO 90.A O no hydrogen 2.847 N/A LYS 94.A N PRO 90.A O no hydrogen 2.525 N/A LYS 94.A NZ THR 87.A O no hydrogen 3.211 N/A PHE 95.A N LYS 91.A O no hydrogen 3.295 N/A LYS 102.A N HIS 99.A O no hydrogen 2.703 N/A GLU 108.A N LYS 104.A O no hydrogen 2.782 N/A ARG 117.A N GLU 114.A O no hydrogen 2.487 N/A ALA 119.A N LYS 116.A O no hydrogen 3.064 N/A THR 129.A N SER 124.A O no hydrogen 3.266 N/A THR 129.A OG1 SER 124.A O no hydrogen 2.988 N/A SER 131.A N ALA 127.A O no hydrogen 2.489 N/A SER 131.A OG ALA 127.A O no hydrogen 2.652 N/A GLY 132.A N MET 128.A O no hydrogen 3.211 N/A GLU 133.A N THR 129.A O no hydrogen 2.983 N/A ARG 134.A N MET 130.A O no hydrogen 3.084 N/A ARG 134.A NH2 GLU 108.A OE1 no hydrogen 3.525 N/A GLU 135.A N SER 131.A O no hydrogen 3.133 N/A CYS 136.A N GLY 132.A O no hydrogen 2.952 N/A LYS 138.A N ARG 134.A O no hydrogen 3.079 N/A LYS 138.A NZ GLY 101.A O no hydrogen 3.528 N/A TYR 139.A N ARG 134.A O no hydrogen 3.118 N/A TYR 139.A OH GLU 187.A OE1 no hydrogen 2.938 N/A LEU 141.A N LEU 137.A O no hydrogen 3.307 N/A VAL 142.A N LYS 138.A O no hydrogen 3.410 N/A GLY 143.A N TYR 139.A O no hydrogen 2.615 N/A SER 144.A OG ARG 140.A O no hydrogen 2.340 N/A GLU 146.A N VAL 142.A O no hydrogen 3.099 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.866 N/A HIS 153.A N SER 150.A O no hydrogen 2.661 N/A GLU 154.A N SER 150.A O no hydrogen 2.991 N/A ARG 157.A N HIS 153.A O no hydrogen 2.977 N/A LEU 159.A N TYR 155.A O no hydrogen 2.680 N/A ALA 160.A N VAL 156.A O no hydrogen 2.802 N/A GLY 161.A N ARG 157.A O no hydrogen 2.800 N/A GLU 162.A N HIS 158.A O no hydrogen 2.967 N/A VAL 163.A N LEU 159.A O no hydrogen 3.183 N/A ALA 164.A N ALA 160.A O no hydrogen 3.066 N/A LYS 165.A N GLY 161.A O no hydrogen 3.021 N/A LYS 165.A NZ ALA 201.A O no hydrogen 3.105 N/A GLU 166.A N GLU 162.A O no hydrogen 2.893 N/A TRP 167.A N VAL 163.A O no hydrogen 3.099 N/A GLU 169.A N GLU 166.A O no hydrogen 3.176 N/A LEU 170.A N GLU 166.A O no hydrogen 3.491 N/A VAL 176.A N ALA 173.A O no hydrogen 3.201 N/A GLN 177.A N GLU 174.A O no hydrogen 3.301 N/A ARG 178.A N LYS 175.A O no hydrogen 3.199 N/A GLU 179.A N VAL 176.A O no hydrogen 3.023 N/A LEU 181.A N GLN 177.A O no hydrogen 3.302 N/A LEU 182.A N ARG 178.A O no hydrogen 2.775 N/A LEU 182.A N GLU 179.A O no hydrogen 3.005 N/A THR 183.A N GLU 179.A O no hydrogen 2.672 N/A THR 183.A OG1 GLU 179.A O no hydrogen 2.485 N/A THR 183.A OG1 GLU 179.A OE2 no hydrogen 2.440 N/A LEU 184.A N PRO 180.A O no hydrogen 3.233 N/A LYS 186.A N LEU 182.A O no hydrogen 3.199 N/A LYS 186.A NZ TYR 139.A OH no hydrogen 3.494 N/A LYS 186.A NZ GLU 187.A OE2 no hydrogen 3.145 N/A ALA 194.A N PRO 190.A O no hydrogen 3.198 N/A HIS 195.A N TYR 191.A O no hydrogen 2.504 N/A ASN 196.A N ASN 192.A O no hydrogen 2.634 N/A GLU 198.A N ALA 194.A O no hydrogen 3.219 N/A HIS 199.A N HIS 195.A O no hydrogen 2.358 N/A GLU 200.A N ASN 196.A O no hydrogen 3.418 N/A ALA 201.A N ALA 197.A O no hydrogen 2.982 N/A CYS 202.A N GLU 198.A O no hydrogen 3.178 N/A CYS 202.A SG GLU 239.A OE1 no hydrogen 3.332 N/A ASP 203.A N HIS 199.A O no hydrogen 2.855 N/A LEU 204.A N GLU 200.A O no hydrogen 3.386 N/A LEU 205.A N CYS 202.A O no hydrogen 3.186 N/A GLN 210.A NE2 SER 243.A OG no hydrogen 3.412 N/A LEU 214.A N GLN 210.A O no hydrogen 2.720 N/A GLU 215.A N VAL 211.A O no hydrogen 2.981 N/A LYS 216.A N ASP 212.A O no hydrogen 2.975 N/A LYS 216.A NZ GLN 177.A O no hydrogen 3.480 N/A ASP 217.A N MET 213.A O no hydrogen 3.036 N/A ASP 219.A N GLU 215.A O no hydrogen 3.082 N/A GLU 220.A N LYS 216.A O no hydrogen 3.076 N/A ASN 221.A N ASP 217.A O no hydrogen 2.622 N/A ASN 221.A ND2 SER 232.A O no hydrogen 3.325 N/A ALA 222.A N ASP 219.A O no hydrogen 3.317 N/A TYR 229.A N LYS 225.A O no hydrogen 2.919 N/A LEU 230.A N VAL 226.A O no hydrogen 2.891 N/A THR 231.A N LEU 228.A O no hydrogen 3.119 N/A THR 231.A OG1 CYS 227.A O no hydrogen 2.668 N/A SER 232.A N LEU 228.A O no hydrogen 2.912 N/A SER 232.A OG ASN 221.A OD1 no hydrogen 2.298 N/A SER 232.A OG LEU 228.A O no hydrogen 2.917 N/A CYS 233.A SG TYR 229.A O no hydrogen 3.243 N/A VAL 234.A N THR 231.A O no hydrogen 3.175 N/A ASN 235.A N THR 231.A O no hydrogen 3.067 N/A ASN 235.A ND2 ASN 192.A OD1 no hydrogen 2.565 N/A TYR 236.A N SER 232.A O no hydrogen 3.096 N/A VAL 237.A N VAL 234.A O no hydrogen 3.396 N/A GLU 241.A N PRO 238.A O no hydrogen 3.072 N/A ASN 242.A N PRO 238.A O no hydrogen 2.606 N/A SER 243.A OG GLU 239.A O no hydrogen 2.345 N/A ALA 244.A N GLU 239.A O no hydrogen 3.317 N/A ARG 247.A NH1 ILE 278.A O no hydrogen 3.355 N/A ARG 247.A NH2 ILE 278.A O no hydrogen 2.592 N/A CYS 248.A N LEU 246.A O no hydrogen 2.603 N/A CYS 248.A SG CYS 282.A O no hydrogen 3.647 N/A CYS 248.A SG VAL 869.A O no hydrogen 3.362 N/A ARG 254.A N LEU 250.A O no hydrogen 2.660 N/A ARG 254.A NH1 ALA 249.A O no hydrogen 2.449 N/A ARG 254.A NH2 VAL 237.A O no hydrogen 2.357 N/A PHE 256.A N VAL 252.A O no hydrogen 3.339 N/A SER 257.A N ARG 254.A O no hydrogen 2.877 N/A SER 257.A OG SER 257.A O no hydrogen 2.497 N/A SER 257.A OG GLU 261.A OE1 no hydrogen 2.581 N/A ARG 258.A N LYS 255.A O no hydrogen 3.519 N/A LEU 265.A N ALA 262.A O no hydrogen 3.112 N/A LEU 267.A N LEU 263.A O no hydrogen 3.363 N/A MET 268.A N ARG 264.A O no hydrogen 2.592 N/A LEU 269.A N LEU 265.A O no hydrogen 2.767 N/A ASN 270.A N ALA 266.A O no hydrogen 2.415 N/A ASP 271.A N LEU 267.A O no hydrogen 2.705 N/A MET 272.A N MET 268.A O no hydrogen 2.732 N/A GLU 273.A N LEU 269.A O no hydrogen 2.676 N/A LEU 274.A N ASN 270.A O no hydrogen 3.154 N/A GLU 276.A N MET 272.A O no hydrogen 3.504 N/A ASP 277.A N VAL 275.A O no hydrogen 2.865 N/A CYS 282.A SG ILE 278.A O no hydrogen 3.292 N/A LYS 283.A NZ GLU 273.A O no hydrogen 2.395 N/A LYS 283.A NZ ASP 277.A OD1 no hydrogen 3.434 N/A ASP 284.A N THR 280.A O no hydrogen 2.457 N/A VAL 286.A N CYS 282.A O no hydrogen 2.913 N/A VAL 287.A N LYS 283.A O no hydrogen 3.187 N/A LYS 289.A NZ VAL 285.A O no hydrogen 2.764 N/A SER 305.A OG GLU 306.A OE1 no hydrogen 2.829 N/A SER 305.A OG GLU 306.A OE2 no hydrogen 3.326 N/A VAL 308.A N GLU 306.A O no hydrogen 2.847 N/A TYR 311.A N GLU 306.A O no hydrogen 3.139 N/A ILE 317.A N ASP 313.A O no hydrogen 2.588 N/A MET 318.A N LEU 314.A O no hydrogen 2.799 N/A SER 319.A N THR 315.A O no hydrogen 2.982 N/A ASN 320.A N THR 315.A O no hydrogen 3.458 N/A VAL 321.A N GLU 316.A O no hydrogen 2.792 N/A LEU 323.A N SER 319.A O no hydrogen 2.857 N/A ASN 324.A N ASN 320.A O no hydrogen 2.599 N/A ASN 324.A ND2 ASN 324.A O no hydrogen 2.924 N/A SER 325.A N VAL 321.A O no hydrogen 2.809 N/A ASN 326.A N GLN 322.A O no hydrogen 2.859 N/A ASN 326.A ND2 TRP 417.A O no hydrogen 3.010 N/A PHE 327.A N LEU 323.A O no hydrogen 2.803 N/A LEU 328.A N ASN 324.A O no hydrogen 3.076 N/A ALA 329.A N SER 325.A O no hydrogen 3.482 N/A LEU 330.A N ASN 326.A O no hydrogen 2.710 N/A ALA 331.A N PHE 327.A O no hydrogen 2.831 N/A GLU 333.A N LEU 328.A O no hydrogen 2.996 N/A ILE 336.A N ARG 332.A O no hydrogen 3.208 N/A THR 348.A N ILE 345.A O no hydrogen 3.205 N/A THR 348.A OG1 ASP 344.A O no hydrogen 2.556 N/A HIS 349.A N TYR 346.A O no hydrogen 3.174 N/A HIS 349.A ND1 ILE 345.A O no hydrogen 3.082 N/A PHE 355.A N ASN 352.A O no hydrogen 3.117 N/A ARG 366.A NH2 VAL 788.A O no hydrogen 2.449 N/A MET 367.A N SER 364.A O no hydrogen 3.286 N/A ASN 368.A N ALA 365.A O no hydrogen 3.309 N/A LEU 369.A N ARG 366.A O no hydrogen 3.388 N/A SER 371.A N MET 367.A O no hydrogen 3.011 N/A SER 371.A OG MET 367.A O no hydrogen 3.320 N/A SER 372.A N LEU 369.A O no hydrogen 3.370 N/A SER 372.A OG LEU 369.A O no hydrogen 2.684 N/A PHE 373.A N ALA 370.A O no hydrogen 3.170 N/A PHE 377.A N PHE 373.A O no hydrogen 3.300 N/A ASN 379.A ND2 ASN 375.A O no hydrogen 2.395 N/A GLY 383.A N ASN 379.A O no hydrogen 3.012 N/A LYS 386.A NZ GLN 425.A OE1 no hydrogen 2.945 N/A GLY 392.A N ASP 391.A OD1 no hydrogen 2.708 N/A ASN 393.A N THR 389.A O no hydrogen 2.568 N/A LYS 394.A N ASP 390.A O no hydrogen 2.862 N/A TRP 395.A N ASP 391.A O no hydrogen 3.466 N/A LEU 396.A N GLY 392.A O no hydrogen 2.646 N/A LYS 398.A NZ ASN 399.A OD1 no hydrogen 3.007 N/A HIS 402.A N ASP 401.A OD1 no hydrogen 2.718 N/A MET 404.A N LYS 400.A O no hydrogen 2.554 N/A LEU 405.A N ASP 401.A O no hydrogen 3.090 N/A SER 406.A N HIS 402.A O no hydrogen 2.927 N/A SER 406.A OG HIS 402.A O no hydrogen 2.724 N/A ALA 407.A N GLY 403.A O no hydrogen 2.825 N/A ALA 408.A N MET 404.A O no hydrogen 3.386 N/A ALA 409.A N LEU 405.A O no hydrogen 2.896 N/A SER 410.A N SER 406.A O no hydrogen 2.974 N/A SER 410.A OG ALA 407.A O no hydrogen 2.563 N/A ILE 414.A N SER 410.A O no hydrogen 3.053 N/A LEU 415.A N LEU 411.A O no hydrogen 3.179 N/A ASP 418.A N VAL 448.A O no hydrogen 3.076 N/A GLY 421.A N ASP 420.A OD1 no hydrogen 2.670 N/A THR 424.A OG1 GLY 421.A O no hydrogen 2.525 N/A ASP 427.A N LEU 423.A O no hydrogen 3.146 N/A LEU 430.A N ASP 427.A O no hydrogen 3.349 N/A SER 432.A N LEU 430.A O no hydrogen 2.800 N/A SER 433.A OG SER 433.A O no hydrogen 2.565 N/A LYS 438.A NZ LEU 430.A O no hydrogen 2.783 N/A SER 439.A N ASP 435.A O no hydrogen 3.170 N/A SER 439.A OG ASP 435.A O no hydrogen 2.836 N/A SER 439.A OG THR 473.A OG1 no hydrogen 3.139 N/A GLY 440.A N TYR 436.A O no hydrogen 3.295 N/A ALA 441.A N ILE 437.A O no hydrogen 3.047 N/A LEU 442.A N LYS 438.A O no hydrogen 2.797 N/A ALA 444.A N GLY 440.A O no hydrogen 3.082 N/A CYS 445.A SG ALA 441.A O no hydrogen 3.311 N/A GLY 446.A N LEU 443.A O no hydrogen 3.270 N/A VAL 448.A N ALA 444.A O no hydrogen 3.062 N/A ASN 449.A N CYS 445.A O no hydrogen 3.445 N/A SER 450.A N ILE 447.A O no hydrogen 3.374 N/A SER 450.A OG LEU 484.A O no hydrogen 3.422 N/A VAL 452.A N ASN 449.A O no hydrogen 3.252 N/A ARG 453.A NE SER 489.A OG no hydrogen 2.425 N/A CYS 456.A N ASN 454.A O no hydrogen 3.081 N/A CYS 456.A SG ASP 457.A OD1 no hydrogen 3.532 N/A SER 464.A OG LEU 460.A O no hydrogen 3.028 N/A SER 464.A OG ALA 461.A O no hydrogen 2.446 N/A ASP 465.A N ALA 461.A O no hydrogen 2.850 N/A TYR 466.A N LEU 462.A O no hydrogen 2.984 N/A TYR 466.A N LEU 463.A O no hydrogen 3.213 N/A VAL 467.A N LEU 463.A O no hydrogen 3.121 N/A HIS 469.A N TYR 466.A O no hydrogen 3.123 N/A HIS 469.A ND1 TYR 466.A O no hydrogen 2.320 N/A SER 471.A OG ASN 470.A OD1 no hydrogen 3.545 N/A THR 473.A OG1 ASP 435.A OD2 no hydrogen 2.873 N/A THR 473.A OG1 SER 439.A OG no hydrogen 3.139 N/A ARG 475.A N ASN 472.A O no hydrogen 2.581 N/A GLY 477.A N THR 473.A O no hydrogen 2.450 N/A LEU 484.A N PHE 480.A O no hydrogen 3.027 N/A ALA 485.A N GLY 481.A O no hydrogen 2.889 N/A TYR 486.A N LEU 482.A O no hydrogen 2.890 N/A TYR 486.A OH ASN 454.A O no hydrogen 3.373 N/A SER 489.A N TYR 486.A O no hydrogen 3.324 N/A ARG 491.A NE ASP 493.A OD1 no hydrogen 2.670 N/A ARG 491.A NH2 ASP 493.A OD1 no hydrogen 3.289 N/A ARG 491.A NH2 ASP 493.A OD2 no hydrogen 2.619 N/A VAL 494.A N ASP 493.A OD1 no hydrogen 2.707 N/A THR 496.A N GLU 492.A O no hydrogen 3.025 N/A THR 496.A OG1 GLU 492.A O no hydrogen 3.341 N/A THR 496.A OG1 ASP 493.A O no hydrogen 2.415 N/A LEU 497.A N ASP 493.A O no hydrogen 2.826 N/A LEU 498.A N VAL 494.A O no hydrogen 2.933 N/A GLY 503.A N LEU 499.A O no hydrogen 2.976 N/A SER 505.A OG SER 505.A O no hydrogen 2.532 N/A SER 507.A OG SER 505.A O no hydrogen 3.295 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.828 N/A ALA 512.A N SER 508.A O no hydrogen 3.385 N/A GLY 513.A N MET 509.A O no hydrogen 3.096 N/A VAL 514.A N GLU 510.A O no hydrogen 3.288 N/A THR 515.A N VAL 511.A O no hydrogen 2.983 N/A THR 515.A OG1 VAL 511.A O no hydrogen 2.368 N/A ALA 516.A N ALA 512.A O no hydrogen 3.365 N/A LEU 517.A N GLY 513.A O no hydrogen 3.339 N/A ALA 518.A N VAL 514.A O no hydrogen 2.697 N/A CYS 519.A N THR 515.A O no hydrogen 3.027 N/A CYS 519.A SG THR 515.A O no hydrogen 3.303 N/A CYS 519.A SG ALA 516.A O no hydrogen 3.338 N/A GLY 520.A N ALA 516.A O no hydrogen 2.887 N/A MET 521.A N LEU 517.A O no hydrogen 3.258 N/A ILE 522.A N CYS 519.A O no hydrogen 3.333 N/A CYS 527.A SG GLU 492.A OE2 no hydrogen 3.673 N/A CYS 527.A SG ASP 530.A OD2 no hydrogen 3.295 N/A ASN 528.A ND2 ASN 528.A O no hydrogen 2.726 N/A ASP 530.A N CYS 527.A O no hydrogen 3.165 N/A THR 532.A N ASN 528.A O no hydrogen 2.995 N/A THR 532.A OG1 ASN 528.A O no hydrogen 3.263 N/A SER 533.A N GLY 529.A O no hydrogen 2.787 N/A SER 533.A OG GLY 529.A O no hydrogen 3.305 N/A SER 533.A OG ASP 530.A O no hydrogen 2.819 N/A THR 534.A N ASP 530.A O no hydrogen 2.989 N/A THR 534.A OG1 ASP 530.A O no hydrogen 3.025 N/A THR 534.A OG1 VAL 531.A O no hydrogen 3.044 N/A ILE 535.A N VAL 531.A O no hydrogen 3.319 N/A LEU 536.A N THR 532.A O no hydrogen 3.220 N/A GLN 537.A NE2 GLU 541.A OE2 no hydrogen 2.695 N/A THR 538.A N THR 534.A O no hydrogen 3.082 N/A THR 538.A OG1 THR 534.A O no hydrogen 2.572 N/A ILE 539.A N ILE 535.A O no hydrogen 2.926 N/A MET 540.A N LEU 536.A O no hydrogen 2.952 N/A GLU 541.A N GLN 537.A O no hydrogen 2.798 N/A LYS 542.A N THR 538.A O no hydrogen 2.933 N/A SER 543.A OG ILE 539.A O no hydrogen 2.453 N/A GLU 544.A N GLU 541.A O no hydrogen 3.137 N/A TYR 551.A N LYS 548.A O no hydrogen 3.373 N/A ARG 553.A N ASP 549.A O no hydrogen 2.484 N/A ARG 553.A NE ASP 549.A O no hydrogen 3.415 N/A ARG 553.A NH1 ASP 781.A O no hydrogen 2.644 N/A LEU 555.A N TYR 551.A O no hydrogen 3.407 N/A GLY 560.A N PRO 556.A O no hydrogen 3.179 N/A LEU 561.A N LEU 557.A O no hydrogen 2.883 N/A ASN 562.A N GLY 558.A O no hydrogen 2.905 N/A ASN 562.A ND2 SER 526.A O no hydrogen 3.451 N/A ASN 562.A ND2 ASN 562.A O no hydrogen 2.703 N/A HIS 563.A N GLY 560.A O no hydrogen 3.301 N/A GLY 565.A N CYS 595.A O no hydrogen 3.321 N/A LYS 566.A N ALA 596.A O no hydrogen 2.665 N/A LYS 566.A NZ VAL 524.A O no hydrogen 3.000 N/A LYS 566.A NZ LEU 564.A O no hydrogen 3.156 N/A LEU 574.A N ILE 570.A O no hydrogen 2.595 N/A ALA 575.A N GLU 571.A O no hydrogen 2.901 N/A ALA 576.A N ALA 572.A O no hydrogen 3.063 N/A GLU 578.A N ALA 575.A O no hydrogen 3.129 N/A VAL 579.A N ALA 575.A O no hydrogen 3.275 N/A SER 581.A OG VAL 579.A O no hydrogen 2.687 N/A SER 581.A OG GLU 582.A O no hydrogen 3.515 N/A PHE 584.A N GLU 582.A OE1 no hydrogen 2.859 N/A SER 586.A N GLU 582.A O no hydrogen 2.728 N/A SER 586.A OG SER 581.A O no hydrogen 3.358 N/A SER 586.A OG GLU 582.A O no hydrogen 3.174 N/A ALA 588.A N ARG 585.A O no hydrogen 3.308 N/A ASN 589.A N SER 586.A O no hydrogen 3.287 N/A LEU 591.A N ALA 588.A O no hydrogen 3.408 N/A CYS 595.A N LEU 591.A O no hydrogen 2.982 N/A CYS 595.A SG LEU 591.A O no hydrogen 3.221 N/A TYR 597.A N VAL 594.A O no hydrogen 2.860 N/A SER 600.A OG GLY 599.A O no hydrogen 2.610 N/A LYS 605.A N ASN 602.A O no hydrogen 2.516 N/A GLN 607.A N VAL 603.A O no hydrogen 2.990 N/A LEU 609.A N LYS 605.A O no hydrogen 2.763 N/A LEU 610.A N GLN 607.A O no hydrogen 2.981 N/A HIS 611.A N GLN 607.A O no hydrogen 2.666 N/A CYS 613.A SG ASP 625.A OD2 no hydrogen 3.816 N/A SER 614.A OG LEU 610.A O no hydrogen 2.360 N/A LYS 620.A N ASP 618.A O no hydrogen 2.509 N/A LYS 622.A N ASP 618.A OD2 no hydrogen 2.802 N/A LYS 622.A NZ ASP 618.A OD1 no hydrogen 3.191 N/A GLU 624.A N GLU 624.A OE1 no hydrogen 2.838 N/A ASP 625.A N LYS 622.A O no hydrogen 2.825 N/A LYS 626.A N LYS 622.A O no hydrogen 3.348 N/A LYS 626.A NZ ASP 618.A OD2 no hydrogen 3.515 N/A ASP 627.A N GLU 623.A O no hydrogen 3.351 N/A LYS 628.A N GLU 624.A O no hydrogen 2.897 N/A LYS 629.A N ASP 625.A O no hydrogen 2.627 N/A GLU 630.A N LYS 626.A O no hydrogen 3.125 N/A LYS 631.A N ASP 627.A O no hydrogen 2.691 N/A LYS 632.A N LYS 628.A O no hydrogen 3.143 N/A LYS 632.A NZ THR 590.A O no hydrogen 2.969 N/A ASP 633.A N GLU 630.A O no hydrogen 3.034 N/A LYS 634.A N LYS 631.A O no hydrogen 3.284 N/A LYS 636.A N ALA 598.A O no hydrogen 2.891 N/A LYS 637.A NZ ASP 633.A OD2 no hydrogen 2.531 N/A GLY 648.A N GLY 644.A O no hydrogen 2.563 N/A VAL 649.A N ALA 645.A O no hydrogen 3.045 N/A ALA 650.A N HIS 646.A O no hydrogen 3.095 N/A VAL 651.A N GLN 647.A O no hydrogen 3.055 N/A LEU 652.A N GLY 648.A O no hydrogen 3.014 N/A ILE 654.A N VAL 651.A O no hydrogen 3.021 N/A ALA 655.A N VAL 651.A O no hydrogen 2.685 N/A MET 659.A N ALA 655.A O no hydrogen 3.328 N/A ALA 665.A N GLU 661.A O no hydrogen 3.366 N/A ALA 668.A N GLY 664.A O no hydrogen 3.359 N/A ARG 670.A N MET 667.A O no hydrogen 3.237 N/A PHE 672.A N LEU 669.A O no hydrogen 2.984 N/A GLY 673.A N LEU 669.A O no hydrogen 3.440 N/A HIS 674.A N THR 671.A O no hydrogen 2.777 N/A LEU 675.A N THR 671.A O no hydrogen 2.513 N/A ARG 684.A N GLU 680.A O no hydrogen 3.197 N/A ALA 686.A N THR 682.A O no hydrogen 3.214 N/A ALA 686.A N LEU 683.A O no hydrogen 3.248 N/A VAL 687.A N LEU 683.A O no hydrogen 3.269 N/A ALA 690.A N VAL 687.A O no hydrogen 2.932 N/A ALA 692.A N PRO 688.A O no hydrogen 2.998 N/A ASN 702.A N PRO 699.A O no hydrogen 2.807 N/A ASN 702.A ND2 GLU 666.A OE1 no hydrogen 2.887 N/A ILE 703.A N ASN 702.A OD1 no hydrogen 2.484 N/A LEU 704.A N ARG 700.A O no hydrogen 2.588 N/A ASP 705.A N LEU 701.A O no hydrogen 2.659 N/A THR 706.A N ASN 702.A O no hydrogen 3.236 N/A THR 706.A OG1 ILE 703.A O no hydrogen 2.254 N/A LEU 707.A N ILE 703.A O no hydrogen 2.902 N/A SER 708.A N LEU 704.A O no hydrogen 3.273 N/A SER 708.A N ASP 705.A O no hydrogen 3.075 N/A SER 708.A OG ASP 705.A O no hydrogen 2.454 N/A LYS 709.A N ASP 705.A O no hydrogen 3.468 N/A SER 711.A OG ALA 746.A O no hydrogen 3.410 N/A ASN 721.A N VAL 718.A O no hydrogen 3.358 N/A SER 722.A N SER 719.A O no hydrogen 2.997 N/A ILE 723.A N SER 719.A O no hydrogen 3.334 N/A PHE 724.A N TYR 720.A O no hydrogen 3.016 N/A MET 726.A N SER 722.A O no hydrogen 2.986 N/A GLY 727.A N ILE 723.A O no hydrogen 2.669 N/A MET 728.A N PHE 724.A O no hydrogen 2.951 N/A VAL 729.A N ALA 725.A O no hydrogen 3.444 N/A SER 731.A OG MET 728.A O no hydrogen 3.316 N/A THR 733.A OG1 VAL 729.A O no hydrogen 2.354 N/A ASN 735.A ND2 GLY 732.A O no hydrogen 3.134 N/A LEU 738.A N ASN 735.A O no hydrogen 3.318 N/A LEU 742.A N ALA 739.A O no hydrogen 2.808 N/A ARG 743.A N ALA 739.A O no hydrogen 2.981 N/A ARG 743.A NE ALA 739.A O no hydrogen 2.400 N/A ARG 743.A NH1 GLY 730.A O no hydrogen 2.842 N/A ARG 743.A NH1 ASN 734.A O no hydrogen 2.817 N/A ARG 743.A NH2 GLY 730.A O no hydrogen 2.805 N/A LEU 745.A N MET 741.A O no hydrogen 2.763 N/A ALA 746.A N LEU 742.A O no hydrogen 2.756 N/A GLN 747.A N ARG 743.A O no hydrogen 2.744 N/A TYR 748.A N GLN 744.A O no hydrogen 2.912 N/A ARG 760.A NH2 ARG 677.A O no hydrogen 3.102 N/A GLN 763.A N HIS 767.A O no hydrogen 2.867 N/A HIS 767.A N GLN 763.A O no hydrogen 3.185 N/A GLY 771.A N ASP 802.A OD2 no hydrogen 2.998 N/A THR 774.A N GLY 771.A O no hydrogen 3.381 N/A THR 774.A OG1 ASP 802.A OD2 no hydrogen 2.451 N/A CYS 776.A N THR 772.A O no hydrogen 3.255 N/A TYR 778.A N LEU 775.A O no hydrogen 2.657 N/A SER 780.A N CYS 776.A O no hydrogen 3.101 N/A SER 780.A OG ARG 553.A O no hydrogen 3.168 N/A ASP 781.A N TYR 778.A O no hydrogen 2.884 N/A ARG 782.A N TYR 778.A O no hydrogen 3.057 N/A ARG 782.A NE ASP 781.A OD2 no hydrogen 3.368 N/A ARG 782.A NH2 ASP 781.A OD2 no hydrogen 2.664 N/A ARG 782.A NH2 GLN 787.A O no hydrogen 3.197 N/A GLN 783.A N ASP 781.A O no hydrogen 2.730 N/A SER 786.A OG MET 785.A O no hydrogen 2.559 N/A LEU 794.A N ALA 791.A O no hydrogen 3.448 N/A THR 795.A N GLY 792.A O no hydrogen 2.842 N/A THR 795.A OG1 ASP 781.A OD1 no hydrogen 3.475 N/A VAL 796.A N GLY 792.A O no hydrogen 2.611 N/A SER 799.A OG THR 774.A O no hydrogen 3.311 N/A ARG 804.A N MET 758.A O no hydrogen 3.459 N/A ARG 804.A NH1 GLY 769.A O no hydrogen 3.355 N/A LYS 810.A NZ TYR 816.A OH no hydrogen 2.342 N/A SER 811.A OG LEU 818.A O no hydrogen 3.197 N/A TYR 816.A N TYR 813.A O no hydrogen 2.753 N/A GLN 823.A N THR 860.A O no hydrogen 2.514 N/A ARG 825.A NH1 THR 860.A OG1 no hydrogen 2.722 N/A ASP 831.A N GLU 833.A OE1 no hydrogen 3.208 N/A GLY 851.A N VAL 849.A O no hydrogen 2.434 N/A THR 860.A N GLN 823.A O no hydrogen 3.466 N/A HIS 865.A NE2 LEU 879.A O no hydrogen 2.886 N/A THR 866.A OG1 HIS 865.A O no hydrogen 2.562 N/A HIS 873.A ND1 ALA 872.A O no hydrogen 2.383 N/A