Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n47_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ALA 300.A O no hydrogen 2.869 N/A VAL 5.A N ALA 298.A O no hydrogen 2.917 N/A PHE 6.A N TYR 563.A O no hydrogen 2.842 N/A LEU 7.A N VAL 296.A O no hydrogen 3.125 N/A ASN 8.A N ARG 561.A O no hydrogen 3.357 N/A ASN 8.A ND2 VAL 163.A O no hydrogen 3.070 N/A PHE 10.A N LEU 161.A O no hydrogen 2.841 N/A ALA 11.A N GLU 294.A O no hydrogen 2.859 N/A LEU 12.A N PHE 159.A O no hydrogen 3.193 N/A ARG 13.A N LEU 290.A O no hydrogen 2.818 N/A ARG 13.A NH1 PRO 14.A O no hydrogen 2.599 N/A ARG 13.A NH1 GLU 19.A OE2 no hydrogen 3.372 N/A ARG 13.A NH2 GLU 19.A OE2 no hydrogen 2.932 N/A LEU 15.A N GLY 157.A O no hydrogen 3.073 N/A ASN 16.A N GLU 19.A OE2 no hydrogen 2.928 N/A GLU 19.A N ASN 16.A O no hydrogen 3.144 N/A GLU 19.A N ASN 16.A OD1 no hydrogen 2.768 N/A LEU 20.A N ASN 16.A O no hydrogen 3.137 N/A TRP 23.A N SER 62.A O no hydrogen 2.905 N/A ARG 24.A N GLY 90.A O no hydrogen 2.692 N/A LEU 25.A N LEU 60.A O no hydrogen 2.942 N/A GLU 26.A N TYR 87.A O no hydrogen 2.861 N/A VAL 28.A N ARG 85.A O no hydrogen 2.937 N/A ASP 30.A N ALA 83.A O no hydrogen 2.932 N/A LEU 41.A N GLU 37.A O no hydrogen 3.425 N/A LEU 42.A N VAL 38.A O no hydrogen 2.893 N/A ALA 43.A N TYR 39.A O no hydrogen 2.955 N/A GLN 44.A N PRO 40.A O no hydrogen 2.934 N/A VAL 45.A N LEU 41.A O no hydrogen 2.846 N/A ALA 46.A N LEU 42.A O no hydrogen 2.903 N/A ARG 47.A N ALA 43.A O no hydrogen 2.937 N/A ARG 48.A N GLN 44.A O no hydrogen 2.895 N/A ALA 49.A N VAL 45.A O no hydrogen 2.826 N/A VAL 52.A N SER 64.A OG no hydrogen 2.891 N/A THR 53.A OG1 ALA 46.A O no hydrogen 3.462 N/A VAL 54.A N ALA 61.A O no hydrogen 2.885 N/A ARG 55.A NH1 GLY 57.A O no hydrogen 3.204 N/A MET 56.A N GLY 59.A O no hydrogen 2.885 N/A GLY 59.A N MET 56.A O no hydrogen 2.902 N/A LEU 60.A N LEU 25.A O no hydrogen 2.900 N/A ALA 61.A N VAL 54.A O no hydrogen 2.906 N/A SER 62.A N TRP 23.A O no hydrogen 2.893 N/A SER 62.A OG VAL 52.A O no hydrogen 3.562 N/A SER 62.A OG SER 64.A O no hydrogen 2.911 N/A TRP 63.A N VAL 52.A O no hydrogen 3.100 N/A TRP 63.A NE1 GLU 19.A O no hydrogen 2.897 N/A SER 64.A N SER 62.A OG no hydrogen 2.981 N/A VAL 68.A N PRO 65.A O no hydrogen 3.045 N/A LEU 69.A N PRO 66.A O no hydrogen 3.268 N/A VAL 70.A N ALA 49.A O no hydrogen 2.817 N/A GLY 73.A N TYR 84.A O no hydrogen 2.974 N/A LEU 75.A N TYR 82.A O no hydrogen 2.926 N/A ARG 77.A N GLN 80.A O no hydrogen 3.398 N/A TYR 82.A N LEU 75.A O no hydrogen 2.897 N/A ALA 83.A N ASP 30.A O no hydrogen 2.909 N/A TYR 84.A N GLY 73.A O no hydrogen 2.874 N/A TYR 84.A OH VAL 70.A O no hydrogen 2.945 N/A ARG 85.A N VAL 28.A O no hydrogen 2.915 N/A LEU 86.A N LEU 71.A O no hydrogen 2.989 N/A TYR 87.A N GLU 26.A O no hydrogen 2.886 N/A LYS 89.A N ARG 24.A O no hydrogen 2.727 N/A ARG 91.A NE ARG 21.A O no hydrogen 2.725 N/A ARG 92.A N PRO 22.A O no hydrogen 2.949 N/A LEU 94.A N LEU 20.A O no hydrogen 3.023 N/A ASP 98.A N ASP 95.A O no hydrogen 3.200 N/A GLU 101.A N ASP 98.A OD2 no hydrogen 3.300 N/A ARG 102.A N ASP 98.A O no hydrogen 2.823 N/A ARG 102.A NH1 PRO 96.A O no hydrogen 2.783 N/A SER 103.A N PRO 99.A O no hydrogen 2.869 N/A VAL 104.A N GLY 100.A O no hydrogen 2.987 N/A LEU 105.A N GLU 101.A O no hydrogen 2.885 N/A SER 106.A N ARG 102.A O no hydrogen 2.850 N/A SER 106.A OG ARG 102.A O no hydrogen 3.028 N/A ALA 107.A N SER 103.A O no hydrogen 2.974 N/A LEU 108.A N VAL 104.A O no hydrogen 2.938 N/A ALA 109.A N LEU 105.A O no hydrogen 2.918 N/A ARG 110.A N SER 106.A O no hydrogen 2.927 N/A ARG 111.A N ALA 107.A O no hydrogen 2.948 N/A LEU 112.A N LEU 108.A O no hydrogen 2.844 N/A LEU 113.A N ALA 109.A O no hydrogen 2.905 N/A GLN 114.A N ARG 110.A O no hydrogen 2.954 N/A GLU 115.A N ARG 111.A O no hydrogen 2.926 N/A ARG 116.A N LEU 112.A O no hydrogen 2.926 N/A ARG 116.A NH1 ARG 287.A O no hydrogen 3.268 N/A LEU 117.A N LEU 113.A O no hydrogen 2.878 N/A ARG 118.A N GLN 114.A O no hydrogen 2.967 N/A ARG 119.A N GLU 115.A O no hydrogen 3.272 N/A TRP 124.A N TYR 131.A O no hydrogen 2.945 N/A GLU 126.A N ALA 129.A O no hydrogen 3.073 N/A ALA 129.A N GLU 126.A O no hydrogen 2.977 N/A VAL 130.A N ALA 147.A O no hydrogen 2.919 N/A TYR 131.A N TRP 124.A O no hydrogen 2.892 N/A ARG 132.A N GLY 145.A O no hydrogen 2.883 N/A ARG 133.A N GLY 145.A O no hydrogen 3.195 N/A ARG 133.A NH2 TYR 167.A OH no hydrogen 3.565 N/A HIS 135.A N VAL 143.A O no hydrogen 2.738 N/A ALA 136.A N VAL 143.A O no hydrogen 3.215 N/A GLY 138.A N TRP 141.A O no hydrogen 2.937 N/A TRP 141.A N GLY 138.A O no hydrogen 2.919 N/A ARG 142.A N LEU 170.A O no hydrogen 2.929 N/A VAL 143.A N ALA 136.A O no hydrogen 2.849 N/A LEU 144.A N ARG 168.A O no hydrogen 2.895 N/A GLY 145.A N ARG 133.A O no hydrogen 2.740 N/A GLY 146.A N ALA 166.A O no hydrogen 2.876 N/A ALA 147.A N VAL 130.A O no hydrogen 2.876 N/A VAL 148.A N ASP 164.A O no hydrogen 2.866 N/A LEU 149.A N LEU 128.A O no hydrogen 3.117 N/A ASP 150.A N GLU 162.A O no hydrogen 2.896 N/A LEU 151.A N ASP 150.A OD1 no hydrogen 3.022 N/A TRP 152.A N LEU 160.A O no hydrogen 2.972 N/A VAL 153.A N SER 106.A OG no hydrogen 2.997 N/A SER 154.A N ALA 158.A O no hydrogen 2.832 N/A SER 154.A OG ALA 158.A O no hydrogen 3.248 N/A GLY 157.A N SER 154.A O no hydrogen 2.865 N/A ALA 158.A N SER 154.A OG no hydrogen 3.203 N/A PHE 159.A N ARG 13.A O no hydrogen 3.241 N/A LEU 160.A N TRP 152.A O no hydrogen 2.870 N/A LEU 161.A N PHE 10.A O no hydrogen 2.912 N/A GLU 162.A N ASP 150.A O no hydrogen 2.893 N/A VAL 163.A N ASN 8.A O no hydrogen 3.159 N/A ASP 164.A N VAL 148.A O no hydrogen 2.961 N/A ALA 166.A N GLY 146.A O no hydrogen 2.907 N/A ARG 168.A N LEU 144.A O no hydrogen 2.884 N/A ARG 168.A NE GLU 126.A OE1 no hydrogen 3.520 N/A ARG 168.A NE GLU 126.A OE2 no hydrogen 3.290 N/A ARG 168.A NH2 GLU 126.A OE2 no hydrogen 3.225 N/A LEU 170.A N ARG 142.A O no hydrogen 2.893 N/A CYS 171.A SG MET 173.A O no hydrogen 3.492 N/A GLU 172.A N GLY 140.A O no hydrogen 3.019 N/A LEU 175.A N LEU 257.A O no hydrogen 2.531 N/A GLU 176.A N THR 254.A O no hydrogen 2.963 N/A TRP 178.A N SER 174.A O no hydrogen 2.895 N/A TRP 178.A NE1 PRO 184.A O no hydrogen 3.294 N/A LEU 179.A N LEU 175.A O no hydrogen 2.924 N/A ALA 180.A N GLU 176.A O no hydrogen 2.910 N/A GLN 181.A N TRP 178.A O no hydrogen 3.432 N/A GLY 182.A N LEU 179.A O no hydrogen 2.997 N/A VAL 189.A N TRP 198.A O no hydrogen 2.901 N/A ARG 190.A N VAL 258.A O no hydrogen 2.862 N/A ARG 190.A NH1 ASN 191.A O no hydrogen 3.552 N/A ASN 191.A N ARG 196.A O no hydrogen 3.008 N/A ASN 191.A ND2 ASP 194.A OD1 no hydrogen 3.099 N/A ASN 191.A ND2 ASP 194.A OD2 no hydrogen 3.331 N/A ALA 192.A N LEU 256.A O no hydrogen 2.959 N/A TYR 193.A OH HIS 252.A NE2 no hydrogen 3.213 N/A ARG 196.A N ASP 194.A OD1 no hydrogen 2.752 N/A ARG 196.A NE THR 197.A O no hydrogen 2.939 N/A TRP 198.A N VAL 189.A O no hydrogen 2.884 N/A TRP 198.A NE1 ASN 191.A OD1 no hydrogen 2.914 N/A GLU 199.A N ALA 241.A O no hydrogen 2.907 N/A LEU 200.A N LYS 187.A O no hydrogen 2.579 N/A LEU 201.A N TRP 239.A O no hydrogen 2.910 N/A ARG 202.A N TRP 239.A O no hydrogen 3.197 N/A ARG 202.A NH1 LEU 203.A O no hydrogen 3.523 N/A GLY 204.A N VAL 237.A O no hydrogen 2.651 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.410 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 2.267 N/A GLU 210.A N ASP 207.A O no hydrogen 2.885 N/A GLU 210.A N ASP 207.A OD1 no hydrogen 2.960 N/A SER 218.A OG LYS 209.A O no hydrogen 2.995 N/A LEU 219.A N LEU 211.A O no hydrogen 3.380 N/A LEU 220.A N PRO 208.A O no hydrogen 3.288 N/A TYR 222.A N SER 218.A O no hydrogen 2.589 N/A HIS 223.A N LEU 219.A O no hydrogen 2.947 N/A ALA 224.A N LEU 220.A O no hydrogen 2.861 N/A SER 225.A N ASP 221.A O no hydrogen 2.931 N/A SER 225.A N TYR 222.A O no hydrogen 3.034 N/A LYS 226.A N TYR 222.A O no hydrogen 3.350 N/A GLY 227.A N ALA 224.A O no hydrogen 3.204 N/A ARG 228.A N HIS 223.A O no hydrogen 3.204 N/A ARG 228.A NH1 HIS 223.A ND1 no hydrogen 3.166 N/A ARG 232.A N LEU 229.A O no hydrogen 3.074 N/A ARG 236.A N THR 254.A OG1 no hydrogen 3.207 N/A ALA 238.A N HIS 252.A O no hydrogen 2.897 N/A TRP 239.A N ARG 202.A O no hydrogen 2.798 N/A TRP 239.A NE1 GLU 206.A OE1 no hydrogen 2.853 N/A VAL 240.A N ILE 250.A O no hydrogen 2.909 N/A ALA 241.A N GLU 199.A O no hydrogen 2.906 N/A ASP 245.A N ASP 242.A OD2 no hydrogen 3.514 N/A ILE 250.A N VAL 240.A O no hydrogen 2.813 N/A HIS 252.A NE2 ASN 191.A OD1 no hydrogen 2.942 N/A LEU 253.A N HIS 252.A ND1 no hydrogen 2.871 N/A THR 254.A N ARG 236.A O no hydrogen 3.094 N/A THR 254.A OG1 ARG 236.A O no hydrogen 3.377 N/A LEU 256.A N LEU 253.A O no hydrogen 2.939 N/A VAL 258.A N ARG 190.A O no hydrogen 2.881 N/A VAL 260.A N ARG 188.A O no hydrogen 3.089 N/A GLU 264.A N THR 262.A OG1 no hydrogen 3.311 N/A ASP 265.A N THR 262.A O no hydrogen 3.065 N/A ARG 273.A N PRO 269.A O no hydrogen 3.001 N/A ARG 273.A NE THR 594.A OG1 no hydrogen 3.336 N/A ARG 273.A NH1 ASP 164.A OD1 no hydrogen 3.149 N/A ARG 274.A N TRP 270.A O no hydrogen 3.083 N/A ARG 274.A NH2 PRO 564.A O no hydrogen 3.566 N/A ARG 275.A N GLU 271.A O no hydrogen 3.221 N/A ARG 275.A NE GLU 279.A OE2 no hydrogen 3.125 N/A ARG 276.A N GLU 272.A O no hydrogen 3.131 N/A THR 277.A N ARG 273.A O no hydrogen 2.970 N/A THR 277.A OG1 ARG 273.A O no hydrogen 2.545 N/A ARG 278.A N ARG 274.A O no hydrogen 2.985 N/A GLU 279.A N ARG 275.A O no hydrogen 2.894 N/A ILE 280.A N ARG 276.A O no hydrogen 2.945 N/A ALA 281.A N THR 277.A O no hydrogen 2.924 N/A SER 282.A N ARG 278.A O no hydrogen 2.949 N/A SER 282.A OG GLU 279.A O no hydrogen 2.385 N/A TRP 283.A N GLU 279.A O no hydrogen 2.938 N/A ILE 284.A N ILE 280.A O no hydrogen 2.911 N/A GLY 285.A N ALA 281.A O no hydrogen 2.919 N/A ARG 286.A N SER 282.A O no hydrogen 2.935 N/A ARG 287.A N TRP 283.A O no hydrogen 2.905 N/A LEU 288.A N ILE 284.A O no hydrogen 2.801 N/A GLU 294.A N ALA 11.A O no hydrogen 3.034 N/A VAL 296.A N ARG 9.A O no hydrogen 2.996 N/A ALA 298.A N VAL 5.A O no hydrogen 2.857 N/A ALA 300.A N THR 3.A O no hydrogen 2.931 N/A TYR 301.A N TYR 574.A O no hydrogen 2.927 N/A ARG 302.A N GLY 1.A O no hydrogen 2.805 N/A LEU 303.A N GLY 572.A O no hydrogen 2.594 N/A SER 304.A OG ILE 305.A O no hydrogen 3.459 N/A MET 309.A N ALA 451.A O no hydrogen 3.150 N/A GLY 310.A N ARG 312.A O no hydrogen 2.938 N/A ARG 311.A N GLY 324.A O no hydrogen 2.973 N/A VAL 314.A N LEU 308.A O no hydrogen 3.285 N/A SER 315.A OG ASP 319.A OD2 no hydrogen 2.910 N/A LYS 316.A NZ ASP 319.A OD1 no hydrogen 2.841 N/A LYS 316.A NZ ASP 319.A OD2 no hydrogen 3.006 N/A ASP 319.A N LYS 316.A O no hydrogen 3.238 N/A LEU 321.A N ALA 318.A O no hydrogen 2.835 N/A ARG 322.A N ASP 319.A O no hydrogen 2.919 N/A ARG 322.A NH1 GLU 435.A OE1 no hydrogen 3.333 N/A ARG 322.A NH1 GLU 435.A OE2 no hydrogen 3.208 N/A ARG 322.A NH2 GLU 435.A OE1 no hydrogen 2.701 N/A VAL 323.A N ASP 319.A O no hydrogen 2.886 N/A GLY 324.A N ALA 320.A O no hydrogen 2.970 N/A PHE 325.A N SER 359.A OG no hydrogen 3.090 N/A TYR 326.A N VAL 449.A O no hydrogen 3.297 N/A ARG 327.A N GLN 448.A O no hydrogen 2.919 N/A ARG 327.A NH1 TYR 326.A O no hydrogen 2.938 N/A GLU 330.A N GLU 330.A OE1 no hydrogen 2.405 N/A THR 331.A N SER 362.A O no hydrogen 3.147 N/A LEU 333.A N ARG 364.A O no hydrogen 2.864 N/A ALA 334.A N ALA 392.A O no hydrogen 3.138 N/A LEU 335.A N HIS 366.A O no hydrogen 2.916 N/A LEU 336.A N LEU 394.A O no hydrogen 2.987 N/A ARG 337.A NE GLY 343.A O no hydrogen 2.868 N/A ARG 337.A NH2 ASP 339.A OD2 no hydrogen 2.760 N/A LEU 338.A N LEU 396.A O no hydrogen 2.657 N/A LEU 348.A N PRO 345.A O no hydrogen 3.333 N/A ARG 350.A N GLU 346.A O no hydrogen 2.917 N/A ARG 350.A NH2 GLU 428.A OE2 no hydrogen 2.646 N/A ALA 351.A N PHE 347.A O no hydrogen 2.969 N/A LEU 352.A N LEU 348.A O no hydrogen 2.942 N/A LEU 353.A N ARG 349.A O no hydrogen 2.907 N/A ARG 354.A N ARG 350.A O no hydrogen 2.911 N/A ARG 354.A NE LEU 321.A O no hydrogen 3.304 N/A ARG 354.A NH2 LEU 321.A O no hydrogen 3.181 N/A ALA 355.A N ALA 351.A O no hydrogen 2.965 N/A PHE 356.A N LEU 352.A O no hydrogen 2.931 N/A GLY 357.A N LEU 353.A O no hydrogen 2.895 N/A ALA 358.A N ARG 354.A O no hydrogen 2.828 N/A SER 359.A N PHE 356.A O no hydrogen 3.159 N/A SER 359.A OG ALA 355.A O no hydrogen 2.519 N/A GLY 360.A N GLY 357.A O no hydrogen 3.280 N/A ALA 361.A N PHE 356.A O no hydrogen 3.112 N/A ARG 364.A N THR 331.A O no hydrogen 2.948 N/A HIS 366.A N LEU 333.A O no hydrogen 2.891 N/A LEU 368.A N LEU 335.A O no hydrogen 2.873 N/A HIS 371.A N GLN 374.A OE1 no hydrogen 3.090 N/A SER 373.A N HIS 371.A ND1 no hydrogen 3.028 N/A ARG 379.A N GLY 375.A O no hydrogen 3.286 N/A GLU 380.A N LEU 376.A O no hydrogen 2.914 N/A ALA 381.A N ALA 377.A O no hydrogen 2.898 N/A LEU 382.A N PHE 378.A O no hydrogen 2.911 N/A ARG 383.A N ARG 379.A O no hydrogen 2.941 N/A ARG 383.A NE GLU 415.A OE1 no hydrogen 2.832 N/A ARG 383.A NH2 GLU 415.A OE2 no hydrogen 3.544 N/A LYS 384.A N GLU 380.A O no hydrogen 2.920 N/A ALA 385.A N ALA 381.A O no hydrogen 2.915 N/A LYS 386.A N LEU 382.A O no hydrogen 2.918 N/A GLU 387.A N ARG 383.A O no hydrogen 2.823 N/A GLU 388.A N ALA 385.A O no hydrogen 2.978 N/A GLY 389.A N LYS 386.A O no hydrogen 3.302 N/A VAL 390.A N ALA 385.A O no hydrogen 3.418 N/A GLN 391.A N ALA 332.A O no hydrogen 2.977 N/A VAL 393.A N PRO 418.A O no hydrogen 3.152 N/A LEU 394.A N ALA 334.A O no hydrogen 2.795 N/A VAL 395.A N GLN 420.A O no hydrogen 2.591 N/A LEU 396.A N LEU 336.A O no hydrogen 2.996 N/A THR 397.A N LEU 422.A O no hydrogen 3.434 N/A THR 397.A OG1 PRO 398.A O no hydrogen 2.782 N/A ARG 405.A N ALA 401.A O no hydrogen 2.944 N/A ARG 405.A NH1 ASN 406.A OD1 no hydrogen 3.425 N/A ARG 405.A NH1 GLU 646.A OE1 no hydrogen 3.082 N/A ARG 405.A NH2 GLU 646.A OE1 no hydrogen 3.221 N/A ARG 405.A NH2 GLU 646.A OE2 no hydrogen 3.370 N/A ASN 406.A N TRP 402.A O no hydrogen 2.973 N/A ARG 407.A N GLU 403.A O no hydrogen 2.900 N/A ARG 407.A NH1 ASP 404.A OD1 no hydrogen 2.213 N/A LEU 408.A N ASP 404.A O no hydrogen 2.903 N/A LYS 409.A N ARG 405.A O no hydrogen 2.959 N/A LYS 409.A NZ SER 419.A OG no hydrogen 3.049 N/A ALA 410.A N ASN 406.A O no hydrogen 2.915 N/A LEU 411.A N ARG 407.A O no hydrogen 2.882 N/A LEU 412.A N LEU 408.A O no hydrogen 2.973 N/A LEU 413.A N LYS 409.A O no hydrogen 2.922 N/A ARG 414.A N ALA 410.A O no hydrogen 2.920 N/A ARG 414.A NH1 HIS 654.A O no hydrogen 3.495 N/A GLU 415.A N LEU 411.A O no hydrogen 3.404 N/A GLY 416.A N LEU 413.A O no hydrogen 2.988 N/A LEU 417.A N LEU 412.A O no hydrogen 2.811 N/A GLN 420.A N VAL 393.A O no hydrogen 2.993 N/A GLN 420.A NE2 ILE 421.A O no hydrogen 2.748 N/A LEU 422.A N VAL 395.A O no hydrogen 2.993 N/A VAL 424.A N THR 397.A O no hydrogen 2.918 N/A ARG 427.A N GLU 430.A OE1 no hydrogen 2.389 N/A GLU 430.A N ARG 427.A O no hydrogen 3.115 N/A ARG 431.A N GLU 429.A O no hydrogen 2.340 N/A ARG 431.A NE GLU 435.A OE1 no hydrogen 2.724 N/A ARG 433.A NH2 PRO 425.A O no hydrogen 3.132 N/A TRP 434.A N GLU 430.A O no hydrogen 3.354 N/A TRP 434.A NE1 GLU 428.A O no hydrogen 3.107 N/A GLU 435.A N ARG 431.A O no hydrogen 2.917 N/A ASN 436.A N HIS 432.A O no hydrogen 2.901 N/A ASN 436.A ND2 SER 626.A O no hydrogen 2.401 N/A ALA 437.A N ARG 433.A O no hydrogen 2.939 N/A LEU 438.A N TRP 434.A O no hydrogen 2.921 N/A LEU 439.A N GLU 435.A O no hydrogen 2.909 N/A GLY 440.A N ASN 436.A O no hydrogen 2.924 N/A LEU 441.A N ALA 437.A O no hydrogen 2.865 N/A LEU 442.A N LEU 438.A O no hydrogen 2.908 N/A ALA 443.A N LEU 439.A O no hydrogen 2.922 N/A LYS 444.A N GLY 440.A O no hydrogen 2.928 N/A LYS 444.A NZ SER 419.A O no hydrogen 2.528 N/A LYS 444.A NZ GLN 420.A OE1 no hydrogen 3.093 N/A LYS 444.A NZ VAL 666.A O no hydrogen 3.269 N/A ALA 445.A N LEU 441.A O no hydrogen 3.061 N/A ALA 445.A N LEU 442.A O no hydrogen 3.143 N/A GLY 446.A N ALA 443.A O no hydrogen 3.397 N/A LEU 447.A N LEU 442.A O no hydrogen 3.227 N/A GLN 448.A NE2 GLY 483.A O no hydrogen 2.376 N/A ALA 451.A N MET 309.A O no hydrogen 3.155 N/A SER 453.A N LYS 307.A O no hydrogen 3.421 N/A TYR 456.A OH HIS 618.A ND1 no hydrogen 2.692 N/A ALA 458.A N GLN 615.A OE1 no hydrogen 3.306 N/A GLU 459.A N ARG 521.A O no hydrogen 3.214 N/A ALA 461.A N VAL 481.A O no hydrogen 2.918 N/A VAL 462.A N LEU 523.A O no hydrogen 2.888 N/A GLY 463.A N CYS 479.A O no hydrogen 2.858 N/A PHE 464.A N LEU 525.A O no hydrogen 2.966 N/A ASP 465.A N ALA 477.A O no hydrogen 2.891 N/A GLY 467.A N GLY 475.A O no hydrogen 2.436 N/A GLY 475.A N PHE 472.A O no hydrogen 2.783 N/A GLY 476.A N ASP 465.A O no hydrogen 3.397 N/A ALA 477.A N ASP 465.A O no hydrogen 2.940 N/A ALA 478.A N THR 488.A O no hydrogen 2.946 N/A CYS 479.A N GLY 463.A O no hydrogen 2.940 N/A ALA 480.A N LEU 486.A O no hydrogen 2.901 N/A VAL 481.A N ALA 461.A O no hydrogen 2.897 N/A GLY 482.A N HIS 484.A O no hydrogen 3.039 N/A HIS 484.A NE2 GLU 661.A OE2 no hydrogen 2.844 N/A LEU 486.A N ALA 480.A O no hydrogen 2.952 N/A TRP 487.A NE1 LYS 662.A O no hydrogen 2.537 N/A THR 488.A N ALA 478.A O no hydrogen 2.868 N/A THR 488.A OG1 ALA 478.A O no hydrogen 3.485 N/A ARG 494.A N ARG 473.A O no hydrogen 3.122 N/A GLU 498.A N ILE 495.A O no hydrogen 2.968 N/A ASP 502.A N GLU 498.A O no hydrogen 2.939 N/A LEU 503.A N VAL 499.A O no hydrogen 2.969 N/A LEU 504.A N VAL 500.A O no hydrogen 2.956 N/A GLU 505.A N TRP 501.A O no hydrogen 2.834 N/A GLU 506.A N ASP 502.A O no hydrogen 2.954 N/A THR 507.A N LEU 503.A O no hydrogen 2.938 N/A THR 507.A OG1 LEU 503.A O no hydrogen 2.716 N/A LEU 508.A N LEU 504.A O no hydrogen 2.941 N/A TRP 509.A N GLU 505.A O no hydrogen 2.893 N/A TRP 509.A NE1 GLU 505.A OE2 no hydrogen 3.032 N/A ALA 510.A N GLU 506.A O no hydrogen 2.874 N/A PHE 511.A N THR 507.A O no hydrogen 2.973 N/A ARG 512.A N LEU 508.A O no hydrogen 2.873 N/A ARG 513.A N TRP 509.A O no hydrogen 2.906 N/A LYS 514.A N ALA 510.A O no hydrogen 2.959 N/A ALA 515.A N PHE 511.A O no hydrogen 2.902 N/A GLY 516.A N ARG 512.A O no hydrogen 3.013 N/A ARG 517.A NE LEU 518.A O no hydrogen 3.000 N/A SER 520.A N GLU 459.A OE1 no hydrogen 3.445 N/A SER 520.A OG GLU 459.A OE1 no hydrogen 2.297 N/A VAL 522.A N ALA 548.A O no hydrogen 2.849 N/A LEU 523.A N LEU 460.A O no hydrogen 2.920 N/A LEU 524.A N ASP 550.A O no hydrogen 2.831 N/A LEU 525.A N VAL 462.A O no hydrogen 2.869 N/A ARG 526.A N VAL 552.A O no hydrogen 3.262 N/A ARG 526.A NH1 GLU 603.A OE2 no hydrogen 3.011 N/A ARG 529.A NE ASP 527.A OD1 no hydrogen 3.381 N/A ARG 529.A NH1 GLY 468.A O no hydrogen 3.428 N/A ARG 529.A NH2 ASP 465.A OD1 no hydrogen 3.467 N/A ARG 529.A NH2 ALA 466.A O no hydrogen 3.044 N/A GLN 532.A NE2 GLN 532.A O no hydrogen 3.429 N/A PHE 535.A N GLN 532.A O no hydrogen 2.956 N/A ALA 536.A N ASP 533.A O no hydrogen 3.324 N/A LEU 537.A N GLN 497.A OE1 no hydrogen 2.748 N/A LEU 539.A N PHE 535.A O no hydrogen 2.742 N/A GLU 540.A N ALA 536.A O no hydrogen 2.901 N/A ALA 541.A N LEU 537.A O no hydrogen 2.906 N/A LEU 542.A N ALA 538.A O no hydrogen 2.894 N/A ALA 543.A N LEU 539.A O no hydrogen 2.923 N/A ARG 544.A N ALA 541.A O no hydrogen 2.944 N/A ARG 544.A NE GLU 540.A O no hydrogen 3.238 N/A GLU 545.A N ALA 541.A O no hydrogen 2.838 N/A ILE 547.A N LEU 542.A O no hydrogen 3.018 N/A ALA 548.A N SER 520.A O no hydrogen 3.123 N/A ASP 550.A N VAL 522.A O no hydrogen 3.194 N/A VAL 552.A N LEU 524.A O no hydrogen 2.932 N/A SER 553.A N VAL 601.A O no hydrogen 2.888 N/A VAL 554.A N ARG 526.A O no hydrogen 2.826 N/A ARG 555.A N LYS 599.A O no hydrogen 2.884 N/A ARG 561.A N ASN 8.A OD1 no hydrogen 3.098 N/A ARG 561.A NE ASP 164.A OD1 no hydrogen 3.546 N/A ARG 561.A NE ASP 164.A OD2 no hydrogen 3.441 N/A ARG 561.A NH1 PRO 595.A O no hydrogen 3.183 N/A TYR 563.A N PHE 6.A O no hydrogen 2.896 N/A LEU 573.A N LEU 585.A O no hydrogen 3.497 N/A TYR 574.A N TYR 301.A O no hydrogen 2.898 N/A VAL 575.A N LEU 583.A O no hydrogen 2.949 N/A LEU 577.A N THR 581.A O no hydrogen 3.267 N/A ASP 579.A N GLU 578.A OE2 no hydrogen 2.295 N/A THR 581.A OG1 GLU 578.A OE2 no hydrogen 3.270 N/A PHE 582.A N LEU 600.A O no hydrogen 2.922 N/A LEU 583.A N VAL 575.A O no hydrogen 2.897 N/A LEU 584.A N LEU 598.A O no hydrogen 2.942 N/A LEU 585.A N LEU 573.A O no hydrogen 2.910 N/A THR 586.A OG1 ARG 632.A O no hydrogen 2.667 N/A ARG 589.A NE HIS 588.A O no hydrogen 2.658 N/A ARG 592.A N ARG 589.A O no hydrogen 2.883 N/A THR 594.A OG1 LEU 268.A O no hydrogen 3.329 N/A LEU 598.A N LEU 584.A O no hydrogen 3.022 N/A LYS 599.A N ARG 555.A O no hydrogen 2.892 N/A LYS 599.A NZ GLY 558.A O no hydrogen 3.225 N/A LEU 600.A N PHE 582.A O no hydrogen 2.904 N/A VAL 601.A N SER 553.A O no hydrogen 2.900 N/A HIS 602.A N LYS 580.A O no hydrogen 2.624 N/A HIS 602.A NE2 ASP 550.A OD1 no hydrogen 2.975 N/A GLU 603.A N LEU 551.A O no hydrogen 2.798 N/A ALA 604.A N LEU 551.A O no hydrogen 3.375 N/A THR 607.A N ASP 550.A OD1 no hydrogen 3.294 N/A THR 607.A OG1 ASP 550.A OD1 no hydrogen 3.465 N/A THR 607.A OG1 ASP 550.A OD2 no hydrogen 2.967 N/A ALA 611.A N PRO 608.A O no hydrogen 2.942 N/A LEU 612.A N PRO 608.A O no hydrogen 3.314 N/A ALA 613.A N LEU 609.A O no hydrogen 2.923 N/A HIS 614.A N GLU 610.A O no hydrogen 2.912 N/A GLN 615.A N ALA 611.A O no hydrogen 2.956 N/A GLN 615.A NE2 ALA 458.A O no hydrogen 2.945 N/A ILE 616.A N LEU 612.A O no hydrogen 2.904 N/A PHE 617.A N ALA 613.A O no hydrogen 2.903 N/A HIS 618.A N HIS 614.A O no hydrogen 2.948 N/A HIS 618.A ND1 TYR 456.A OH no hydrogen 2.692 N/A HIS 618.A NE2 SER 304.A O no hydrogen 3.155 N/A LEU 619.A N GLN 615.A O no hydrogen 2.888 N/A THR 620.A N ILE 616.A O no hydrogen 3.053 N/A THR 620.A N PHE 617.A O no hydrogen 3.203 N/A ARG 621.A N HIS 618.A O no hydrogen 2.932 N/A LEU 622.A N LEU 619.A O no hydrogen 3.214 N/A SER 626.A OG ALA 629.A O no hydrogen 2.536 N/A ARG 632.A NE ARG 596.A O no hydrogen 2.886 N/A ARG 632.A NH2 LYS 556.A O no hydrogen 2.572 N/A ARG 632.A NH2 ARG 596.A O no hydrogen 3.246 N/A ALA 635.A N LEU 619.A O no hydrogen 3.240 N/A LEU 637.A N PRO 634.A O no hydrogen 2.993 N/A HIS 638.A N PRO 634.A O no hydrogen 3.087 N/A LEU 639.A N ALA 635.A O no hydrogen 2.872 N/A ALA 640.A N PRO 636.A O no hydrogen 2.919 N/A ASP 641.A N LEU 637.A O no hydrogen 2.950 N/A ARG 642.A N HIS 638.A O no hydrogen 2.975 N/A LEU 643.A N LEU 639.A O no hydrogen 2.849 N/A VAL 644.A N ALA 640.A O no hydrogen 2.956 N/A LYS 645.A N ASP 641.A O no hydrogen 2.993 N/A GLU 646.A N ARG 642.A O no hydrogen 2.927 N/A VAL 647.A N LEU 643.A O no hydrogen 2.876 N/A GLY 648.A N VAL 644.A O no hydrogen 2.935 N/A ARG 649.A N LYS 645.A O no hydrogen 2.940 N/A LEU 650.A N GLU 646.A O no hydrogen 2.861 N/A GLY 651.A N VAL 647.A O no hydrogen 2.657 N/A LYS 656.A N GLU 657.A OE2 no hydrogen 2.767 N/A ARG 660.A NH1 GLU 506.A OE2 no hydrogen 3.011 N/A LEU 663.A N ALA 443.A O no hydrogen 3.406 N/A