Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jcm_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N GLU 1.A O no hydrogen 3.063 N/A THR 6.A N HIS 2.A O no hydrogen 2.908 N/A THR 6.A OG1 HIS 2.A O no hydrogen 2.498 N/A THR 6.A OG1 THR 3.A O no hydrogen 2.938 N/A GLN 7.A N THR 3.A O no hydrogen 3.135 N/A LEU 8.A N ILE 4.A O no hydrogen 2.920 N/A LYS 9.A N PHE 5.A O no hydrogen 2.724 N/A THR 15.A OG1 HIS 57.A NE2 no hydrogen 3.184 N/A ARG 16.A N SER 56.A O no hydrogen 3.374 N/A ARG 19.A NH1 TYR 429.A OH no hydrogen 3.561 N/A ARG 19.A NH2 THR 15.A OG1 no hydrogen 2.239 N/A ARG 19.A NH2 TYR 429.A OH no hydrogen 3.449 N/A ASP 20.A N ASN 18.A OD1 no hydrogen 2.640 N/A TYR 21.A N ASP 20.A OD1 no hydrogen 2.152 N/A LEU 23.A N ARG 19.A O no hydrogen 2.288 N/A SER 24.A N ASP 20.A O no hydrogen 2.486 N/A MET 25.A N TYR 21.A O no hydrogen 2.915 N/A ALA 26.A N LEU 23.A O no hydrogen 3.389 N/A ASN 34.A ND2 GLY 439.A O no hydrogen 2.820 N/A VAL 35.A N ASN 110.A O no hydrogen 2.974 N/A GLY 36.A N LEU 133.A O no hydrogen 3.328 N/A VAL 37.A N LEU 112.A O no hydrogen 3.001 N/A ILE 38.A N LEU 135.A O no hydrogen 3.052 N/A SER 43.A N PRO 40.A O no hydrogen 3.205 N/A SER 43.A OG PRO 40.A O no hydrogen 3.467 N/A LYS 45.A NZ GLY 39.A O no hydrogen 2.924 N/A LYS 45.A NZ SER 43.A OG no hydrogen 2.998 N/A THR 46.A OG1 SER 89.A OG no hydrogen 2.688 N/A THR 46.A OG1 ASP 113.A OD2 no hydrogen 2.783 N/A SER 47.A OG GLY 44.A O no hydrogen 2.561 N/A LEU 48.A N GLY 44.A O no hydrogen 3.050 N/A MET 49.A N LYS 45.A O no hydrogen 3.205 N/A ASP 50.A N THR 46.A O no hydrogen 2.927 N/A LEU 51.A N SER 47.A O no hydrogen 3.032 N/A LEU 52.A N LEU 48.A O no hydrogen 3.437 N/A VAL 53.A N MET 49.A O no hydrogen 3.003 N/A ILE 54.A N ASP 50.A O no hydrogen 2.904 N/A ASP 55.A N LEU 51.A O no hydrogen 3.043 N/A SER 56.A N LEU 52.A O no hydrogen 3.072 N/A HIS 57.A N VAL 53.A O no hydrogen 3.091 N/A VAL 67.A N SER 64.A OG no hydrogen 3.022 N/A GLU 68.A N SER 64.A O no hydrogen 3.223 N/A LYS 81.A NZ ASP 85.A OD2 no hydrogen 2.731 N/A ILE 84.A N LEU 80.A O no hydrogen 2.943 N/A ASP 85.A N LYS 81.A O no hydrogen 2.849 N/A ARG 86.A N GLN 82.A O no hydrogen 2.725 N/A ARG 86.A NH1 ASP 533.A OD2 no hydrogen 1.955 N/A GLY 87.A N GLU 83.A O no hydrogen 2.504 N/A SER 89.A OG THR 46.A OG1 no hydrogen 2.688 N/A SER 89.A OG ASP 78.A OD1 no hydrogen 2.908 N/A ILE 90.A N GLU 83.A OE2 no hydrogen 2.780 N/A LYS 91.A N GLU 83.A OE2 no hydrogen 2.721 N/A LYS 91.A NZ TYR 509.A OH no hydrogen 2.896 N/A LYS 91.A NZ ASP 538.A OD2 no hydrogen 3.171 N/A ASN 93.A ND2 GLY 427.A O no hydrogen 2.445 N/A SER 95.A N PHE 111.A O no hydrogen 2.869 N/A THR 96.A N LEU 425.A O no hydrogen 3.017 N/A THR 96.A OG1 LEU 425.A O no hydrogen 3.109 N/A LEU 97.A N ILE 109.A O no hydrogen 2.975 N/A CYS 99.A N ARG 107.A O no hydrogen 2.951 N/A CYS 99.A SG LEU 97.A O no hydrogen 3.381 N/A LEU 102.A N ASP 336.A OD1 no hydrogen 2.863 N/A SER 104.A N ASP 101.A O no hydrogen 2.835 N/A SER 104.A OG LEU 102.A O no hydrogen 3.447 N/A ARG 107.A N CYS 99.A O no hydrogen 2.941 N/A ILE 109.A N LEU 97.A O no hydrogen 2.920 N/A ASN 110.A N ILE 33.A O no hydrogen 3.039 N/A ASN 110.A ND2 ASN 34.A OD1 no hydrogen 2.812 N/A PHE 111.A N SER 95.A O no hydrogen 2.688 N/A LEU 112.A N VAL 35.A O no hydrogen 3.065 N/A ASP 113.A N ASN 93.A O no hydrogen 3.470 N/A ALA 114.A N VAL 37.A O no hydrogen 3.349 N/A ASN 119.A N HIS 117.A ND1 no hydrogen 2.982 N/A PHE 120.A N HIS 117.A O no hydrogen 2.953 N/A MET 121.A N VAL 118.A O no hydrogen 3.410 N/A GLU 123.A N PHE 120.A O no hydrogen 2.937 N/A THR 124.A N PHE 120.A O no hydrogen 3.435 N/A THR 124.A OG1 MET 121.A O no hydrogen 2.481 N/A ALA 125.A N MET 121.A O no hydrogen 2.871 N/A VAL 126.A N ASP 122.A O no hydrogen 3.006 N/A ALA 127.A N GLU 123.A O no hydrogen 3.085 N/A LEU 128.A N THR 124.A O no hydrogen 2.907 N/A ALA 129.A N ALA 125.A O no hydrogen 2.924 N/A ALA 130.A N ALA 127.A O no hydrogen 2.980 N/A SER 131.A N ALA 127.A O no hydrogen 2.957 N/A SER 131.A OG ASN 34.A O no hydrogen 3.419 N/A SER 131.A OG LEU 133.A O no hydrogen 2.281 N/A ASP 132.A N ASN 34.A O no hydrogen 3.167 N/A LEU 133.A N SER 131.A OG no hydrogen 3.107 N/A VAL 134.A N ALA 161.A O no hydrogen 2.800 N/A LEU 135.A N GLY 36.A O no hydrogen 2.967 N/A ILE 136.A N CYS 163.A O no hydrogen 3.027 N/A VAL 137.A N ILE 38.A O no hydrogen 3.134 N/A ILE 138.A N VAL 165.A O no hydrogen 2.796 N/A VAL 140.A N ASN 167.A O no hydrogen 3.102 N/A GLY 143.A N ASP 139.A O no hydrogen 2.759 N/A THR 145.A OG1 ASP 733.A OD2 no hydrogen 2.767 N/A PHE 146.A N THR 145.A OG1 no hydrogen 2.537 N/A GLU 149.A N THR 145.A O no hydrogen 3.041 N/A GLN 150.A N PHE 146.A O no hydrogen 2.901 N/A LEU 151.A N VAL 147.A O no hydrogen 2.906 N/A ILE 152.A N VAL 148.A O no hydrogen 2.901 N/A LYS 153.A N GLU 149.A O no hydrogen 2.911 N/A GLN 154.A N GLN 150.A O no hydrogen 2.957 N/A SER 155.A N LEU 151.A O no hydrogen 2.912 N/A SER 155.A OG LEU 151.A O no hydrogen 2.604 N/A ILE 156.A N ILE 152.A O no hydrogen 3.008 N/A LYS 157.A N LYS 153.A O no hydrogen 2.914 N/A LYS 157.A NZ ASN 594.A O no hydrogen 2.874 N/A ASN 158.A N GLN 154.A O no hydrogen 2.995 N/A ASN 158.A N SER 155.A O no hydrogen 3.235 N/A ASN 159.A N ILE 156.A O no hydrogen 2.949 N/A VAL 160.A N SER 155.A O no hydrogen 2.903 N/A CYS 163.A N VAL 134.A O no hydrogen 3.148 N/A CYS 163.A SG ASN 209.A OD1 no hydrogen 3.570 N/A PHE 164.A N ASN 209.A O no hydrogen 3.015 N/A VAL 165.A N ILE 136.A O no hydrogen 2.981 N/A ILE 166.A N ILE 211.A O no hydrogen 2.798 N/A ASN 167.A N ILE 138.A O no hydrogen 2.803 N/A ASN 167.A ND2 SER 43.A O no hydrogen 3.041 N/A LYS 168.A N ASN 167.A OD1 no hydrogen 2.729 N/A LYS 168.A NZ ASP 139.A OD2 no hydrogen 2.939 N/A LEU 169.A N ALA 213.A O no hydrogen 3.390 N/A ARG 171.A N LYS 168.A O no hydrogen 3.092 N/A ARG 171.A N ASP 170.A OD1 no hydrogen 2.550 N/A ARG 171.A NE ASP 175.A OD2 no hydrogen 2.886 N/A ILE 173.A N LEU 169.A O no hydrogen 3.306 N/A LEU 174.A N ASP 170.A O no hydrogen 2.586 N/A ASP 175.A N ARG 171.A O no hydrogen 2.761 N/A LEU 176.A N ARG 171.A O no hydrogen 3.115 N/A LEU 178.A N LEU 172.A O no hydrogen 3.235 N/A ALA 183.A N PRO 179.A O no hydrogen 2.607 N/A TYR 184.A N PRO 180.A O no hydrogen 3.069 N/A LYS 186.A N ASP 182.A O no hydrogen 2.905 N/A LYS 186.A NZ ALA 763.A O no hydrogen 2.622 N/A LEU 187.A N ALA 183.A O no hydrogen 2.975 N/A ASN 188.A N TYR 184.A O no hydrogen 2.889 N/A HIS 189.A N LEU 185.A O no hydrogen 2.888 N/A ILE 190.A N LYS 186.A O no hydrogen 3.051 N/A ILE 191.A N LEU 187.A O no hydrogen 2.916 N/A ALA 192.A N ASN 188.A O no hydrogen 2.897 N/A ASN 193.A N HIS 189.A O no hydrogen 2.911 N/A ILE 194.A N ILE 190.A O no hydrogen 3.062 N/A ASN 195.A N ILE 191.A O no hydrogen 3.353 N/A ASN 195.A ND2 PHE 203.A O no hydrogen 3.666 N/A SER 196.A N ALA 192.A O no hydrogen 3.204 N/A SER 196.A OG ALA 192.A O no hydrogen 3.260 N/A SER 196.A OG ASN 193.A O no hydrogen 2.937 N/A THR 198.A N ILE 194.A O no hydrogen 3.393 N/A THR 198.A OG1 ILE 194.A O no hydrogen 3.442 N/A ILE 206.A N SER 204.A OG no hydrogen 3.040 N/A ASP 207.A N SER 204.A O no hydrogen 2.667 N/A ILE 211.A N PHE 164.A O no hydrogen 3.073 N/A PHE 212.A N PHE 221.A O no hydrogen 2.823 N/A ALA 213.A N ILE 166.A O no hydrogen 3.084 N/A SER 214.A N PHE 219.A O no hydrogen 2.971 N/A SER 214.A OG ASP 170.A OD2 no hydrogen 2.679 N/A THR 215.A N ASN 167.A OD1 no hydrogen 3.156 N/A THR 215.A OG1 SER 47.A OG no hydrogen 3.137 N/A LYS 216.A N THR 215.A OG1 no hydrogen 2.609 N/A LEU 217.A N SER 214.A OG no hydrogen 3.085 N/A GLY 218.A N SER 214.A O no hydrogen 2.918 N/A PHE 219.A N SER 214.A O no hydrogen 3.113 N/A THR 220.A OG1 GLN 331.A OE1 no hydrogen 2.561 N/A PHE 221.A N PHE 212.A O no hydrogen 2.619 N/A GLU 225.A N THR 222.A OG1 no hydrogen 2.520 N/A PHE 226.A N THR 222.A O no hydrogen 3.192 N/A SER 228.A N LYS 224.A O no hydrogen 3.524 N/A SER 228.A OG LYS 224.A O no hydrogen 2.806 N/A SER 228.A OG GLU 225.A O no hydrogen 3.563 N/A TYR 230.A N PHE 226.A O no hydrogen 3.142 N/A TYR 230.A OH ILE 327.A O no hydrogen 2.533 N/A ALA 232.A N VAL 227.A O no hydrogen 2.376 N/A SER 234.A N TYR 231.A O no hydrogen 2.867 N/A ILE 235.A N ALA 232.A O no hydrogen 3.254 N/A ILE 240.A N SER 237.A O no hydrogen 3.106 N/A PHE 243.A N LYS 239.A O no hydrogen 3.321 N/A THR 244.A N ASP 241.A O no hydrogen 3.206 N/A THR 244.A OG1 ASP 241.A O no hydrogen 2.429 N/A THR 245.A OG1 ASP 242.A O no hydrogen 2.542 N/A THR 245.A OG1 ASP 242.A OD1 no hydrogen 2.881 N/A ARG 246.A N ASP 242.A O no hydrogen 2.972 N/A LEU 247.A N THR 244.A O no hydrogen 3.135 N/A GLY 249.A N TYR 184.A OH no hydrogen 3.012 N/A HIS 254.A N ASN 257.A O no hydrogen 2.938 N/A VAL 266.A N ASN 265.A OD1 no hydrogen 2.993 N/A LYS 268.A NZ VAL 266.A O no hydrogen 2.985 N/A THR 271.A N VAL 251.A O no hydrogen 2.724 N/A THR 271.A OG1 VAL 251.A O no hydrogen 2.539 N/A GLU 274.A N PRO 270.A O no hydrogen 3.378 N/A PHE 275.A N THR 271.A O no hydrogen 2.936 N/A ILE 276.A N PHE 272.A O no hydrogen 2.963 N/A LEU 277.A N PHE 272.A O no hydrogen 3.263 N/A ILE 278.A N VAL 273.A O no hydrogen 2.977 N/A LEU 280.A N ILE 276.A O no hydrogen 3.100 N/A TYR 281.A N LEU 277.A O no hydrogen 2.908 N/A TYR 281.A OH LEU 178.A O no hydrogen 3.256 N/A LYS 282.A N ILE 278.A O no hydrogen 2.914 N/A ILE 283.A N PRO 279.A O no hydrogen 2.927 N/A PHE 284.A N LEU 280.A O no hydrogen 3.125 N/A SER 285.A N TYR 281.A O no hydrogen 2.693 N/A TYR 286.A N LYS 282.A O no hydrogen 2.478 N/A ALA 287.A N ILE 283.A O no hydrogen 2.907 N/A LEU 288.A N PHE 284.A O no hydrogen 3.333 N/A SER 289.A N SER 285.A O no hydrogen 2.630 N/A MET 290.A N TYR 286.A O no hydrogen 2.961 N/A LEU 299.A N LEU 295.A O no hydrogen 3.167 N/A ARG 300.A N LYS 296.A O no hydrogen 3.017 N/A ARG 300.A NH2 ASN 297.A OD1 no hydrogen 2.674 N/A SER 301.A N ASN 297.A O no hydrogen 2.759 N/A ASN 302.A N LEU 298.A O no hydrogen 2.715 N/A PHE 303.A N LEU 299.A O no hydrogen 2.909 N/A ARG 304.A N ARG 300.A O no hydrogen 3.245 N/A ARG 304.A NH1 ARG 300.A O no hydrogen 2.818 N/A ARG 304.A NH1 SER 301.A O no hydrogen 2.541 N/A VAL 305.A N LEU 299.A O no hydrogen 2.948 N/A SER 308.A OG GLU 310.A OE1 no hydrogen 2.649 N/A GLN 309.A N GLN 309.A OE1 no hydrogen 2.467 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.804 N/A ALA 311.A N SER 308.A O no hydrogen 3.094 N/A LEU 312.A N GLN 309.A O no hydrogen 2.995 N/A GLN 313.A N GLN 309.A O no hydrogen 3.039 N/A TYR 314.A N LEU 312.A O no hydrogen 2.778 N/A PHE 319.A N ASP 315.A O no hydrogen 2.748 N/A LEU 320.A N PRO 316.A O no hydrogen 2.916 N/A LYS 321.A N GLN 317.A O no hydrogen 3.097 N/A LYS 321.A NZ GLY 70.A O no hydrogen 3.012 N/A HIS 322.A N PRO 318.A O no hydrogen 3.033 N/A VAL 323.A N PHE 319.A O no hydrogen 2.910 N/A LEU 324.A N LEU 320.A O no hydrogen 2.898 N/A GLN 325.A N LYS 321.A O no hydrogen 2.925 N/A GLN 325.A NE2 LEU 217.A O no hydrogen 2.859 N/A LEU 326.A N HIS 322.A O no hydrogen 2.732 N/A ILE 327.A N VAL 323.A O no hydrogen 2.908 N/A PHE 328.A N LEU 324.A O no hydrogen 2.858 N/A ARG 329.A NE TYR 229.A OH no hydrogen 2.762 N/A GLN 330.A N GLN 330.A OE1 no hydrogen 2.551 N/A GLN 331.A N ASP 55.A OD2 no hydrogen 3.479 N/A THR 332.A N GLN 330.A O no hydrogen 2.735 N/A ASP 336.A N THR 332.A O no hydrogen 2.771 N/A ALA 337.A N GLY 333.A O no hydrogen 2.931 N/A ILE 338.A N LEU 334.A O no hydrogen 2.913 N/A THR 339.A N VAL 335.A O no hydrogen 2.884 N/A THR 339.A OG1 VAL 335.A O no hydrogen 2.787 N/A ARG 340.A N ASP 336.A O no hydrogen 3.058 N/A ARG 340.A NH2 GLU 103.A OE2 no hydrogen 2.318 N/A ARG 340.A NH2 ASP 336.A OD2 no hydrogen 2.959 N/A CYS 341.A N ILE 338.A O no hydrogen 3.102 N/A CYS 341.A SG ASN 209.A OD1 no hydrogen 3.232 N/A CYS 341.A SG CYS 341.A O no hydrogen 2.830 N/A PHE 348.A N PRO 344.A O no hydrogen 3.079 N/A LYS 351.A N LEU 347.A O no hydrogen 2.860 N/A LYS 351.A NZ SER 131.A O no hydrogen 3.232 N/A THR 352.A N PHE 348.A O no hydrogen 3.034 N/A THR 352.A OG1 PHE 348.A O no hydrogen 3.410 N/A THR 352.A OG1 ASP 349.A O no hydrogen 3.122 N/A ALA 353.A N ASP 349.A O no hydrogen 2.861 N/A HIS 354.A N ASN 350.A O no hydrogen 3.297 N/A SER 356.A N THR 352.A O no hydrogen 3.094 N/A SER 356.A OG THR 352.A O no hydrogen 2.739 N/A TRP 368.A N SER 389.A O no hydrogen 3.281 N/A ALA 369.A N LEU 457.A O no hydrogen 2.484 N/A HIS 370.A N ARG 386.A O no hydrogen 3.361 N/A HIS 370.A ND1 ALA 455.A O no hydrogen 3.351 N/A VAL 371.A N ALA 455.A O no hydrogen 2.903 N/A LEU 372.A N LEU 384.A O no hydrogen 3.078 N/A LYS 373.A NZ GLU 123.A OE2 no hydrogen 2.578 N/A LYS 373.A NZ TYR 508.A O no hydrogen 2.683 N/A VAL 375.A N TRP 382.A O no hydrogen 2.801 N/A TRP 382.A N VAL 375.A O no hydrogen 2.806 N/A SER 383.A N ILE 444.A O no hydrogen 2.952 N/A LEU 384.A N LYS 373.A O no hydrogen 3.041 N/A VAL 385.A N VAL 442.A O no hydrogen 3.195 N/A ARG 386.A N HIS 370.A O no hydrogen 2.939 N/A ARG 386.A NH2 ASP 132.A OD1 no hydrogen 2.170 N/A ILE 387.A N GLN 440.A O no hydrogen 2.811 N/A SER 389.A N TRP 368.A O no hydrogen 3.112 N/A SER 389.A OG TYR 388.A O no hydrogen 3.306 N/A LEU 392.A N ALA 436.A O no hydrogen 2.805 N/A LYS 393.A N ASP 396.A OD2 no hydrogen 2.564 N/A ARG 394.A NE GLU 420.A O no hydrogen 3.105 N/A ARG 394.A NH2 GLU 421.A OE1 no hydrogen 2.770 N/A GLY 395.A N VAL 419.A O no hydrogen 2.538 N/A ASP 396.A N LYS 393.A O no hydrogen 3.189 N/A VAL 398.A N CYS 417.A O no hydrogen 3.082 N/A ILE 400.A N PRO 415.A O no hydrogen 2.964 N/A SER 406.A N ASP 402.A O no hydrogen 3.067 N/A SER 406.A OG ASP 402.A O no hydrogen 3.355 N/A SER 406.A OG THR 403.A O no hydrogen 1.786 N/A GLU 407.A N THR 403.A O no hydrogen 2.553 N/A SER 408.A N GLN 405.A O no hydrogen 2.689 N/A GLU 413.A N GLU 410.A O no hydrogen 3.410 N/A CYS 417.A N VAL 398.A O no hydrogen 2.814 N/A VAL 419.A N ASP 396.A O no hydrogen 2.638 N/A GLU 420.A N LYS 445.A O no hydrogen 3.339 N/A GLY 423.A N LEU 443.A O no hydrogen 2.967 N/A LEU 424.A N TYR 431.A O no hydrogen 2.817 N/A GLY 426.A N TYR 429.A O no hydrogen 2.871 N/A GLY 427.A N GLY 94.A O no hydrogen 2.803 N/A ARG 428.A N GLY 426.A O no hydrogen 2.724 N/A ARG 428.A NH1 ASP 62.A OD2 no hydrogen 1.785 N/A TYR 429.A N GLY 426.A O no hydrogen 3.324 N/A TYR 431.A N LEU 424.A O no hydrogen 3.063 N/A ALA 436.A N LEU 392.A O no hydrogen 2.798 N/A HIS 437.A N GLN 440.A OE1 no hydrogen 2.865 N/A GLY 439.A N ILE 387.A O no hydrogen 2.795 N/A GLN 440.A N HIS 437.A O no hydrogen 3.280 N/A VAL 442.A N VAL 385.A O no hydrogen 3.074 N/A LEU 443.A N GLY 423.A O no hydrogen 2.928 N/A ILE 444.A N SER 383.A O no hydrogen 2.865 N/A LYS 445.A N GLU 421.A O no hydrogen 3.128 N/A TYR 451.A N SER 448.A O no hydrogen 3.333 N/A ILE 452.A N ASP 402.A OD2 no hydrogen 3.248 N/A LYS 453.A NZ PRO 510.A O no hydrogen 3.109 N/A ALA 455.A N VAL 371.A O no hydrogen 3.177 N/A THR 456.A N LEU 401.A O no hydrogen 3.038 N/A LEU 457.A N ALA 369.A O no hydrogen 2.409 N/A SER 459.A N LEU 367.A O no hydrogen 3.158 N/A MET 466.A N SER 462.A O no hydrogen 2.458 N/A LYS 467.A N LYS 463.A O no hydrogen 3.127 N/A GLN 468.A N GLU 464.A O no hydrogen 2.940 N/A LEU 469.A N ASP 465.A O no hydrogen 3.226 N/A LEU 469.A N MET 466.A O no hydrogen 3.290 N/A LYS 473.A N LEU 355.A O no hydrogen 3.099 N/A PHE 483.A N ALA 481.A O no hydrogen 2.730 N/A LYS 484.A N LEU 554.A O no hydrogen 2.962 N/A ILE 485.A N ILE 524.A O no hydrogen 3.051 N/A LEU 487.A N HIS 522.A O no hydrogen 2.803 N/A GLN 488.A N LYS 549.A O no hydrogen 3.323 N/A LEU 490.A N GLU 547.A O no hydrogen 3.357 N/A GLU 494.A N LEU 491.A O no hydrogen 3.051 N/A LEU 495.A N PRO 492.A O no hydrogen 3.319 N/A LYS 497.A N GLU 494.A O no hydrogen 3.049 N/A LEU 498.A N GLU 494.A O no hydrogen 3.479 N/A LEU 499.A N LEU 495.A O no hydrogen 2.917 N/A ASP 500.A N PRO 496.A O no hydrogen 3.167 N/A ALA 501.A N LYS 497.A O no hydrogen 3.055 N/A LEU 502.A N LEU 498.A O no hydrogen 2.902 N/A ASN 503.A N LEU 499.A O no hydrogen 3.181 N/A LYS 504.A N ASP 500.A O no hydrogen 2.983 N/A ILE 505.A N ALA 501.A O no hydrogen 2.887 N/A SER 506.A N LEU 502.A O no hydrogen 3.030 N/A LYS 507.A N ASN 503.A O no hydrogen 3.121 N/A TYR 508.A N LYS 504.A O no hydrogen 2.994 N/A TYR 509.A N ILE 505.A O no hydrogen 2.795 N/A TYR 509.A OH ASP 538.A OD2 no hydrogen 2.462 N/A VAL 512.A N TYR 509.A O no hydrogen 3.163 N/A ILE 513.A N LEU 525.A O no hydrogen 3.214 N/A LYS 515.A N VAL 523.A O no hydrogen 2.978 N/A GLU 517.A N GLU 521.A O no hydrogen 2.935 N/A SER 519.A OG GLU 521.A OE1 no hydrogen 2.745 N/A GLY 520.A N GLU 517.A O no hydrogen 2.963 N/A GLU 521.A N SER 519.A OG no hydrogen 3.157 N/A HIS 522.A N LEU 487.A O no hydrogen 2.913 N/A VAL 523.A N LYS 515.A O no hydrogen 2.813 N/A ILE 524.A N ILE 485.A O no hydrogen 2.806 N/A LEU 525.A N ILE 513.A O no hydrogen 2.946 N/A GLY 526.A N PHE 483.A O no hydrogen 3.287 N/A ASN 527.A ND2 ASN 119.A O no hydrogen 2.914 N/A ASN 527.A ND2 ASP 122.A OD2 no hydrogen 2.689 N/A MET 532.A N GLY 528.A O no hydrogen 3.005 N/A ASP 533.A N GLU 529.A O no hydrogen 2.907 N/A CYS 534.A N LEU 530.A O no hydrogen 3.010 N/A CYS 534.A SG LEU 530.A O no hydrogen 3.412 N/A LEU 535.A N TYR 531.A O no hydrogen 3.174 N/A LEU 536.A N MET 532.A O no hydrogen 2.920 N/A TYR 537.A N ASP 533.A O no hydrogen 2.989 N/A ASP 538.A N CYS 534.A O no hydrogen 3.049 N/A LEU 539.A N LEU 535.A O no hydrogen 2.905 N/A ARG 540.A N LEU 536.A O no hydrogen 2.989 N/A ARG 540.A NH2 ILE 548.A O no hydrogen 2.763 N/A ALA 541.A N TYR 537.A O no hydrogen 2.851 N/A ALA 541.A N ASP 538.A O no hydrogen 3.180 N/A SER 542.A N ASP 538.A O no hydrogen 2.638 N/A TYR 543.A N ASP 538.A O no hydrogen 3.041 N/A TYR 543.A OH ASP 376.A OD2 no hydrogen 2.602 N/A LYS 545.A NZ ALA 541.A O no hydrogen 2.678 N/A LYS 549.A N GLN 488.A O no hydrogen 2.721 N/A SER 551.A N VAL 486.A O no hydrogen 3.161 N/A ASP 552.A N SER 551.A OG no hydrogen 2.491 N/A LEU 554.A N LYS 484.A O no hydrogen 2.840 N/A THR 555.A OG1 VAL 482.A O no hydrogen 3.499 N/A THR 555.A OG1 VAL 556.A O no hydrogen 3.371 N/A VAL 556.A N VAL 482.A O no hydrogen 3.258 N/A PHE 557.A N GLU 679.A OE2 no hydrogen 2.874 N/A SER 558.A N LEU 726.A O no hydrogen 3.128 N/A GLU 559.A N PRO 680.A O no hydrogen 2.946 N/A SER 560.A N ILE 724.A O no hydrogen 2.992 N/A SER 560.A OG TYR 682.A O no hydrogen 2.734 N/A CYS 561.A N SER 560.A OG no hydrogen 2.635 N/A SER 562.A N ILE 722.A O no hydrogen 2.983 N/A ASN 563.A ND2 ALA 580.A O no hydrogen 2.761 N/A GLU 569.A N LEU 574.A O no hydrogen 3.126 N/A GLY 573.A N GLU 569.A OE1 no hydrogen 2.729 N/A LEU 574.A N GLU 569.A OE1 no hydrogen 2.708 N/A SER 575.A N SER 692.A O no hydrogen 3.367 N/A SER 575.A OG GLY 567.A O no hydrogen 2.722 N/A SER 577.A N SER 690.A O no hydrogen 2.942 N/A SER 577.A OG ARG 565.A O no hydrogen 2.707 N/A ALA 579.A N LYS 687.A O no hydrogen 2.800 N/A GLU 581.A N GLN 685.A O no hydrogen 2.714 N/A MET 583.A N GLY 683.A O no hydrogen 2.953 N/A LYS 586.A N ASP 584.A OD1 no hydrogen 2.841 N/A LYS 586.A NZ GLU 622.A O no hydrogen 2.845 N/A LYS 586.A NZ GLU 622.A OE1 no hydrogen 2.871 N/A ILE 588.A N ASP 584.A O no hydrogen 2.863 N/A GLN 589.A N SER 585.A O no hydrogen 2.886 N/A ASP 590.A N LYS 586.A O no hydrogen 2.865 N/A LEU 591.A N MET 587.A O no hydrogen 2.912 N/A SER 592.A N ILE 588.A O no hydrogen 2.909 N/A SER 592.A OG GLN 589.A O no hydrogen 2.691 N/A ARG 593.A N GLN 589.A O no hydrogen 2.963 N/A ASN 594.A ND2 ASP 476.A OD2 no hydrogen 2.681 N/A THR 595.A N ASP 604.A OD2 no hydrogen 3.179 N/A THR 595.A OG1 ASN 601.A OD1 no hydrogen 2.774 N/A GLY 597.A N THR 595.A OG1 no hydrogen 3.154 N/A ASN 601.A N LYS 598.A O no hydrogen 3.091 N/A CYS 602.A SG ASP 590.A OD2 no hydrogen 3.305 N/A CYS 602.A SG LEU 603.A O no hydrogen 3.971 N/A CYS 602.A SG TYR 623.A OH no hydrogen 3.671 N/A ASP 606.A N ASP 604.A OD1 no hydrogen 2.999 N/A GLY 607.A N ASP 604.A O no hydrogen 2.792 N/A ILE 608.A N ILE 605.A O no hydrogen 2.999 N/A ASP 610.A N GLY 607.A O no hydrogen 2.923 N/A ARG 613.A N ASN 611.A OD1 no hydrogen 2.808 N/A LYS 614.A N ASN 611.A O no hydrogen 2.752 N/A LYS 614.A NZ ASP 610.A OD2 no hydrogen 2.833 N/A LEU 615.A N ASN 611.A O no hydrogen 3.142 N/A SER 616.A N PRO 612.A O no hydrogen 2.744 N/A SER 616.A OG PRO 612.A O no hydrogen 2.817 N/A SER 616.A OG ARG 613.A O no hydrogen 2.781 N/A LYS 617.A N ARG 613.A O no hydrogen 2.811 N/A ILE 618.A N LYS 614.A O no hydrogen 3.037 N/A LEU 619.A N LEU 615.A O no hydrogen 3.180 N/A ARG 620.A N SER 616.A O no hydrogen 2.845 N/A ARG 620.A NH2 SER 616.A OG no hydrogen 2.975 N/A THR 621.A N LYS 617.A O no hydrogen 2.720 N/A THR 621.A OG1 LYS 617.A O no hydrogen 2.573 N/A GLU 622.A N ILE 618.A O no hydrogen 2.775 N/A TYR 623.A N LEU 619.A O no hydrogen 2.868 N/A GLY 624.A N ARG 620.A O no hydrogen 2.908 N/A TRP 625.A N LEU 619.A O no hydrogen 3.435 N/A LEU 628.A N ASP 626.A OD1 no hydrogen 2.787 N/A ALA 629.A N ASP 626.A OD1 no hydrogen 2.998 N/A SER 630.A N ASP 626.A O no hydrogen 2.728 N/A SER 630.A OG ASP 626.A O no hydrogen 3.393 N/A SER 630.A OG SER 627.A O no hydrogen 2.987 N/A ARG 631.A N SER 627.A O no hydrogen 3.235 N/A ASN 632.A N LEU 628.A O no hydrogen 2.755 N/A VAL 633.A N SER 630.A O no hydrogen 3.406 N/A TRP 634.A N LEU 642.A O no hydrogen 2.685 N/A SER 635.A OG PHE 636.A O no hydrogen 2.826 N/A TYR 637.A N ASN 640.A O no hydrogen 2.879 N/A ASN 640.A ND2 ILE 681.A O no hydrogen 2.780 N/A LEU 642.A N SER 635.A O no hydrogen 2.796 N/A ILE 643.A N TYR 686.A O no hydrogen 2.888 N/A ASN 644.A N ASN 632.A O no hydrogen 3.001 N/A ASP 645.A N LEU 688.A O no hydrogen 3.025 N/A THR 646.A N ASP 649.A OD2 no hydrogen 2.934 N/A THR 646.A OG1 LEU 689.A O no hydrogen 2.642 N/A ASP 649.A N THR 646.A O no hydrogen 2.977 N/A GLU 650.A N LEU 647.A O no hydrogen 2.839 N/A ILE 651.A N LEU 647.A O no hydrogen 3.002 N/A SER 652.A N PRO 648.A O no hydrogen 2.890 N/A SER 652.A OG PRO 648.A O no hydrogen 3.525 N/A GLU 654.A N GLU 654.A OE1 no hydrogen 2.727 N/A LEU 656.A N SER 652.A O no hydrogen 2.969 N/A SER 657.A N PRO 653.A O no hydrogen 2.785 N/A SER 657.A OG GLU 654.A O no hydrogen 2.518 N/A LYS 658.A N GLU 654.A O no hydrogen 3.202 N/A LYS 658.A N LEU 655.A O no hydrogen 3.190 N/A TYR 659.A N LEU 656.A O no hydrogen 2.969 N/A LYS 660.A N SER 657.A O no hydrogen 3.231 N/A GLN 662.A NE2 LYS 658.A O no hydrogen 3.688 N/A ILE 663.A N TYR 659.A O no hydrogen 3.140 N/A ILE 664.A N LYS 660.A O no hydrogen 2.429 N/A GLN 665.A N GLU 661.A O no hydrogen 2.543 N/A GLY 666.A N GLN 662.A O no hydrogen 3.215 N/A PHE 667.A N ILE 663.A O no hydrogen 2.927 N/A TYR 668.A OH PHE 636.A O no hydrogen 3.231 N/A TRP 669.A N GLN 665.A O no hydrogen 3.229 N/A ALA 670.A N GLY 666.A O no hydrogen 2.533 N/A ALA 670.A N PHE 667.A O no hydrogen 3.043 N/A VAL 671.A N PHE 667.A O no hydrogen 2.777 N/A LYS 672.A N TYR 668.A O no hydrogen 2.875 N/A LEU 676.A N GLU 559.A OE1 no hydrogen 3.010 N/A ALA 677.A N GLU 559.A OE2 no hydrogen 2.911 N/A GLU 678.A N GLY 674.A O no hydrogen 2.872 N/A GLU 679.A N GLU 559.A OE2 no hydrogen 2.930 N/A ILE 681.A N VAL 671.A O no hydrogen 3.221 N/A TYR 682.A N GLU 559.A O no hydrogen 2.801 N/A GLY 683.A N ASN 640.A OD1 no hydrogen 2.775 N/A GLN 685.A N GLU 581.A O no hydrogen 2.798 N/A GLN 685.A NE2 GLU 581.A OE1 no hydrogen 2.752 N/A TYR 686.A N VAL 641.A O no hydrogen 3.121 N/A TYR 686.A OH CYS 714.A O no hydrogen 2.807 N/A LYS 687.A N ALA 579.A O no hydrogen 2.914 N/A LYS 687.A NZ GLU 581.A OE1 no hydrogen 3.229 N/A LYS 687.A NZ GLU 581.A OE2 no hydrogen 2.986 N/A LEU 688.A N ILE 643.A O no hydrogen 3.039 N/A LEU 689.A N SER 577.A O no hydrogen 2.699 N/A SER 690.A N SER 577.A O no hydrogen 3.012 N/A SER 692.A N SER 575.A O no hydrogen 2.901 N/A SER 692.A OG GLY 573.A O no hydrogen 3.506 N/A SER 695.A OG ASP 696.A OD2 no hydrogen 3.519 N/A VAL 697.A N PRO 694.A O no hydrogen 3.106 N/A ASN 698.A N ASP 700.A OD2 no hydrogen 2.715 N/A ASN 698.A ND2 ASP 700.A OD2 no hydrogen 3.097 N/A ILE 699.A N VAL 697.A O no hydrogen 2.767 N/A MET 702.A N ASP 700.A O no hydrogen 2.808 N/A GLN 705.A N MET 702.A O no hydrogen 2.806 N/A GLN 705.A NE2 SER 704.A OG no hydrogen 3.324 N/A ILE 706.A N MET 702.A O no hydrogen 3.031 N/A ILE 707.A N LYS 703.A O no hydrogen 3.070 N/A LEU 709.A N GLN 705.A O no hydrogen 3.032 N/A MET 710.A N ILE 706.A O no hydrogen 2.900 N/A LYS 711.A N ILE 707.A O no hydrogen 3.176 N/A LYS 711.A NZ GLU 673.A OE1 no hydrogen 2.833 N/A LYS 712.A N PRO 708.A O no hydrogen 2.908 N/A LYS 712.A NZ GLU 568.A O no hydrogen 3.517 N/A LYS 712.A NZ ASN 570.A OD1 no hydrogen 3.134 N/A ALA 713.A N LEU 709.A O no hydrogen 2.935 N/A CYS 714.A N MET 710.A O no hydrogen 3.024 N/A CYS 714.A SG MET 710.A O no hydrogen 3.265 N/A TYR 715.A N LYS 711.A O no hydrogen 3.170 N/A TYR 715.A OH ALA 670.A O no hydrogen 2.766 N/A VAL 716.A N LYS 712.A O no hydrogen 2.908 N/A GLY 717.A N ALA 713.A O no hydrogen 2.922 N/A LEU 718.A N CYS 714.A O no hydrogen 2.901 N/A LEU 719.A N TYR 715.A O no hydrogen 3.070 N/A THR 720.A N VAL 716.A O no hydrogen 2.909 N/A THR 720.A OG1 VAL 716.A O no hydrogen 3.258 N/A THR 720.A OG1 GLY 717.A O no hydrogen 2.987 N/A ALA 721.A N GLY 717.A O no hydrogen 2.871 N/A ILE 722.A N LEU 719.A O no hydrogen 3.226 N/A ILE 724.A N SER 560.A O no hydrogen 2.890 N/A LEU 726.A N SER 558.A O no hydrogen 2.722 N/A GLU 727.A N ARG 806.A O no hydrogen 2.903 N/A TYR 730.A N VAL 774.A O no hydrogen 2.921 N/A GLU 731.A N TYR 799.A O no hydrogen 3.350 N/A VAL 732.A N GLY 772.A O no hydrogen 2.802 N/A ASP 733.A N GLN 797.A O no hydrogen 2.928 N/A ILE 734.A N VAL 770.A O no hydrogen 2.798 N/A THR 735.A N MET 795.A O no hydrogen 2.978 N/A VAL 736.A N LEU 768.A O no hydrogen 3.227 N/A HIS 737.A ND1 PRO 766.A O no hydrogen 2.855 N/A LEU 740.A N HIS 737.A O no hydrogen 3.018 N/A LEU 741.A N ALA 738.A O no hydrogen 3.082 N/A VAL 744.A N LEU 740.A O no hydrogen 3.340 N/A GLU 745.A N LEU 741.A O no hydrogen 3.002 N/A GLU 746.A N PRO 742.A O no hydrogen 3.105 N/A LEU 747.A N ILE 743.A O no hydrogen 2.943 N/A MET 748.A N VAL 744.A O no hydrogen 3.077 N/A LYS 749.A N GLU 745.A O no hydrogen 3.157 N/A LYS 749.A NZ GLU 746.A OE2 no hydrogen 2.789 N/A LYS 750.A N GLU 746.A O no hydrogen 2.923 N/A ARG 751.A N LEU 747.A O no hydrogen 2.913 N/A SER 754.A OG GLY 753.A O no hydrogen 2.842 N/A LYS 758.A N ARG 771.A O no hydrogen 3.027 N/A ILE 760.A N GLU 769.A O no hydrogen 2.804 N/A VAL 762.A N LEU 767.A O no hydrogen 2.889 N/A THR 765.A N VAL 762.A O no hydrogen 3.229 N/A THR 765.A OG1 VAL 762.A O no hydrogen 3.429 N/A LEU 768.A N VAL 736.A O no hydrogen 2.683 N/A GLU 769.A N ILE 760.A O no hydrogen 2.799 N/A VAL 770.A N ILE 734.A O no hydrogen 2.798 N/A ARG 771.A N LYS 758.A O no hydrogen 2.804 N/A GLY 772.A N VAL 732.A O no hydrogen 2.938 N/A GLN 773.A N ARG 755.A O no hydrogen 2.803 N/A VAL 774.A N TYR 730.A O no hydrogen 3.184 N/A VAL 776.A N PRO 728.A O no hydrogen 3.168 N/A ILE 777.A N GLU 727.A OE2 no hydrogen 2.941 N/A GLU 778.A N PRO 775.A O no hydrogen 2.853 N/A SER 779.A N VAL 776.A O no hydrogen 3.069 N/A SER 779.A OG VAL 776.A O no hydrogen 2.528 N/A GLY 781.A N GLU 529.A OE2 no hydrogen 2.658 N/A PHE 782.A N SER 779.A O no hydrogen 2.938 N/A THR 784.A N GLY 781.A O no hydrogen 2.912 N/A THR 784.A OG1 GLY 781.A O no hydrogen 2.622 N/A ASP 785.A N GLY 781.A O no hydrogen 3.168 N/A LEU 786.A N PHE 782.A O no hydrogen 3.091 N/A ARG 787.A N GLU 783.A O no hydrogen 3.147 N/A LEU 788.A N THR 784.A O no hydrogen 2.913 N/A SER 789.A N ASP 785.A O no hydrogen 2.937 N/A SER 789.A OG ASP 785.A O no hydrogen 2.740 N/A SER 789.A OG LEU 786.A O no hydrogen 3.090 N/A THR 790.A N LEU 786.A O no hydrogen 2.980 N/A THR 790.A OG1 LEU 786.A O no hydrogen 2.753 N/A THR 790.A OG1 ARG 787.A O no hydrogen 3.316 N/A THR 790.A OG1 LEU 793.A O no hydrogen 2.604 N/A ASN 791.A N LEU 788.A O no hydrogen 3.125 N/A GLY 792.A N ARG 787.A O no hydrogen 2.886 N/A LEU 793.A N THR 790.A O no hydrogen 3.123 N/A MET 795.A N THR 735.A O no hydrogen 3.132 N/A GLN 797.A N ASP 733.A O no hydrogen 3.009 N/A TYR 799.A N GLU 731.A O no hydrogen 3.267 N/A ARG 806.A N GLU 727.A O no hydrogen 2.958 N/A ARG 806.A NH1 GLN 773.A OE1 no hydrogen 3.122 N/A ARG 806.A NH2 GLN 773.A OE1 no hydrogen 2.781 N/A LYS 807.A NZ VAL 808.A O no hydrogen 2.882 N/A LYS 807.A NZ PRO 809.A O no hydrogen 2.662 N/A LYS 807.A NZ GLY 810.A O no hydrogen 3.419 N/A VAL 808.A N LEU 725.A O no hydrogen 2.798 N/A ASP 816.A N ASP 814.A OD1 no hydrogen 2.942 N/A SER 831.A OG ASP 811.A O no hydrogen 2.711 N/A VAL 835.A N SER 831.A O no hydrogen 3.200 N/A THR 838.A N PHE 834.A O no hydrogen 3.434 N/A THR 838.A OG1 PHE 834.A O no hydrogen 2.365 N/A THR 838.A OG1 VAL 835.A O no hydrogen 2.996 N/A ARG 839.A N VAL 835.A O no hydrogen 2.506 N/A ARG 839.A NE LEU 676.A O no hydrogen 2.715 N/A ARG 840.A N MET 836.A O no hydrogen 2.910 N/A LYS 842.A N THR 838.A O no hydrogen 3.204 N/A GLY 843.A N ARG 839.A O no hydrogen 3.155 N/A