Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wd9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N LEU 21.A O no hydrogen 3.018 N/A ILE 4.A N GLN 23.A O no hydrogen 3.134 N/A VAL 6.A N ASP 25.A O no hydrogen 3.450 N/A THR 7.A OG1 GLN 10.A O no hydrogen 3.014 N/A THR 12.A N LEU 83.A O no hydrogen 3.104 N/A THR 12.A OG1 ARG 5.A O no hydrogen 3.370 N/A ALA 14.A N TYR 85.A O no hydrogen 3.069 N/A CYS 16.A N THR 87.A O no hydrogen 2.794 N/A CYS 16.A SG THR 22.A OG1 no hydrogen 3.636 N/A LEU 18.A N VAL 89.A O no hydrogen 2.828 N/A THR 20.A N VAL 17.A O no hydrogen 3.122 N/A THR 20.A OG1 VAL 17.A O no hydrogen 2.752 N/A GLN 23.A N THR 2.A O no hydrogen 2.783 N/A GLN 23.A NE2 GLU 53.A OE1 no hydrogen 3.050 N/A ASP 25.A N ILE 4.A O no hydrogen 2.962 N/A CYS 27.A SG LEU 48.A O no hydrogen 3.704 N/A SER 28.A N ASP 25.A OD1 no hydrogen 3.223 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.417 N/A PHE 32.A N TRP 46.A O no hydrogen 2.938 N/A SER 33.A N SER 73.A O no hydrogen 3.041 N/A SER 33.A OG TYR 75.A OH no hydrogen 3.221 N/A ASN 35.A N GLN 71.A O no hydrogen 3.113 N/A SER 37.A N LYS 69.A O no hydrogen 2.904 N/A SER 37.A OG GLN 68.A OE1 no hydrogen 3.009 N/A GLY 39.A N GLN 68.A OE1 no hydrogen 3.125 N/A VAL 40.A N SER 37.A O no hydrogen 3.211 N/A VAL 41.A N THR 57.A O no hydrogen 2.955 N/A ALA 45.A N GLU 53.A O no hydrogen 3.059 N/A GLY 51.A N ASP 49.A OD1 no hydrogen 3.062 N/A VAL 52.A N ASP 49.A O no hydrogen 3.053 N/A THR 55.A N ASP 43.A O no hydrogen 3.261 N/A LEU 56.A N THR 22.A O no hydrogen 2.881 N/A THR 57.A N VAL 41.A O no hydrogen 3.204 N/A THR 57.A OG1 VAL 41.A O no hydrogen 3.418 N/A LYS 59.A NZ LYS 59.A O no hydrogen 3.346 N/A SER 62.A N ALA 88.A O no hydrogen 2.766 N/A GLY 63.A N ASP 67.A OD2 no hydrogen 2.547 N/A SER 64.A N ASP 67.A OD2 no hydrogen 2.880 N/A SER 64.A OG ASP 67.A OD1 no hydrogen 3.343 N/A THR 65.A OG1 ASP 157.A OD1 no hydrogen 3.493 N/A GLY 66.A N THR 87.A OG1 no hydrogen 2.912 N/A GLN 68.A N LEU 86.A O no hydrogen 3.416 N/A LYS 69.A N SER 37.A OG no hydrogen 3.116 N/A VAL 70.A N LEU 84.A O no hydrogen 3.108 N/A GLN 71.A N ASN 35.A O no hydrogen 2.820 N/A ILE 72.A N ALA 82.A O no hydrogen 3.002 N/A SER 73.A N SER 33.A O no hydrogen 2.972 N/A TYR 74.A N VAL 80.A O no hydrogen 2.786 N/A TYR 74.A OH ILE 26.A O no hydrogen 2.993 N/A TYR 75.A N SER 31.A O no hydrogen 2.965 N/A TYR 75.A OH SER 33.A OG no hydrogen 3.221 N/A VAL 80.A N TYR 74.A O no hydrogen 3.200 N/A ALA 82.A N ILE 72.A O no hydrogen 2.831 N/A LEU 84.A N VAL 70.A O no hydrogen 3.065 N/A TYR 85.A N THR 12.A O no hydrogen 2.867 N/A LEU 86.A N GLN 68.A O no hydrogen 2.998 N/A THR 87.A N ALA 14.A O no hydrogen 2.997 N/A ALA 88.A N SER 62.A OG no hydrogen 2.809 N/A VAL 89.A N CYS 16.A O no hydrogen 2.993 N/A GLU 90.A N LYS 153.A O no hydrogen 2.966 N/A SER 92.A N SER 151.A O no hydrogen 3.097 N/A SER 92.A OG GLU 90.A OE1 no hydrogen 2.896 N/A CYS 94.A N THR 149.A O no hydrogen 2.739 N/A CYS 94.A SG SER 92.A O no hydrogen 3.830 N/A ARG 99.A N ASP 96.A O no hydrogen 3.071 N/A ARG 99.A NH1 THR 105.A O no hydrogen 3.251 N/A ARG 99.A NH1 GLY 112.A O no hydrogen 3.168 N/A ARG 99.A NH2 THR 105.A O no hydrogen 2.994 N/A ARG 99.A NH2 GLY 107.A O no hydrogen 3.105 N/A THR 100.A N ASP 96.A OD1 no hydrogen 2.704 N/A GLN 101.A NE2 GLN 111.A OE1 no hydrogen 3.181 N/A ARG 102.A NH1 GLN 244.A O no hydrogen 3.483 N/A TRP 104.A NE1 ALA 113.A O no hydrogen 2.828 N/A THR 105.A N GLN 111.A O no hydrogen 2.937 N/A GLY 107.A N TRP 599.A O no hydrogen 3.067 N/A GLY 110.A N GLY 107.A O no hydrogen 3.135 N/A GLN 111.A N THR 105.A OG1 no hydrogen 3.030 N/A GLY 112.A N ILE 97.A O no hydrogen 2.835 N/A LEU 115.A N ARG 250.A O no hydrogen 2.921 N/A ASN 118.A N ALA 211.A O no hydrogen 3.075 N/A ASN 118.A ND2 ASP 141.A OD1 no hydrogen 2.859 N/A CYS 119.A SG VAL 117.A O no hydrogen 3.717 N/A ARG 121.A N GLY 333.A O no hydrogen 3.227 N/A ARG 121.A NH1 ILE 328.A O no hydrogen 3.483 N/A ASP 122.A N ASP 130.A OD2 no hydrogen 3.182 N/A ASN 123.A ND2 ASP 138.A OD2 no hydrogen 2.997 N/A ASP 130.A N ASP 120.A O no hydrogen 2.839 N/A CYS 131.A N ASN 118.A O no hydrogen 3.392 N/A CYS 131.A SG ASN 118.A O no hydrogen 3.214 N/A GLU 132.A N MET 129.A O no hydrogen 3.310 N/A GLU 135.A N ASP 133.A OD2 no hydrogen 3.356 N/A ASP 141.A N ASP 138.A O no hydrogen 3.328 N/A LEU 142.A N SER 139.A O no hydrogen 3.299 N/A GLN 143.A N GLU 140.A O no hydrogen 3.284 N/A ASP 144.A N ASP 141.A O no hydrogen 3.111 N/A MET 145.A N LEU 142.A O no hydrogen 3.349 N/A SER 146.A N VAL 209.A O no hydrogen 2.965 N/A SER 146.A OG ILE 114.A O no hydrogen 2.781 N/A MET 148.A N PHE 207.A O no hydrogen 2.979 N/A THR 149.A N CYS 94.A O no hydrogen 2.848 N/A THR 149.A OG1 ASP 206.A OD2 no hydrogen 3.096 N/A LEU 150.A N MET 205.A O no hydrogen 3.050 N/A SER 151.A N SER 92.A O no hydrogen 3.045 N/A SER 151.A OG ASN 204.A OD1 no hydrogen 2.341 N/A THR 152.A N HIS 203.A O no hydrogen 3.058 N/A LYS 153.A N GLU 90.A O no hydrogen 3.218 N/A THR 154.A N GLY 201.A O no hydrogen 2.936 N/A THR 154.A OG1 PRO 155.A O no hydrogen 3.422 N/A PHE 158.A N PRO 155.A O no hydrogen 2.972 N/A THR 160.A N ASP 157.A O no hydrogen 3.053 N/A THR 160.A OG1 ASP 157.A O no hydrogen 3.086 N/A ASN 161.A N PHE 158.A O no hydrogen 3.223 N/A THR 163.A N LEU 230.A O no hydrogen 2.888 N/A VAL 165.A N SER 228.A O no hydrogen 2.832 N/A LEU 166.A N HIS 194.A O no hydrogen 3.048 N/A HIS 167.A N THR 226.A O no hydrogen 2.864 N/A VAL 168.A N PRO 192.A O no hydrogen 2.967 N/A GLU 172.A N ALA 169.A O no hydrogen 3.147 N/A LYS 175.A N GLU 172.A O no hydrogen 3.050 N/A LYS 175.A NZ SER 171.A O no hydrogen 3.100 N/A LYS 175.A NZ ASP 174.A OD1 no hydrogen 2.528 N/A LYS 175.A NZ ASP 174.A OD2 no hydrogen 2.826 N/A VAL 176.A N MET 173.A O no hydrogen 3.458 N/A ARG 177.A N GLU 210.A O no hydrogen 2.990 N/A ARG 177.A NH1 CYS 131.A O no hydrogen 3.001 N/A ARG 177.A NH1 GLU 210.A OE2 no hydrogen 2.832 N/A VAL 178.A N LEU 187.A O no hydrogen 2.880 N/A PHE 179.A N TYR 208.A O no hydrogen 2.641 N/A GLN 180.A N SER 184.A O no hydrogen 3.029 N/A ALA 181.A N ASP 206.A O no hydrogen 3.050 N/A SER 184.A N GLN 180.A O no hydrogen 3.318 N/A VAL 186.A N VAL 178.A O no hydrogen 2.973 N/A LEU 187.A N VAL 178.A O no hydrogen 3.426 N/A GLY 188.A N TRP 191.A O no hydrogen 2.848 N/A LYS 190.A NZ ASP 134.A OD2 no hydrogen 3.199 N/A HIS 194.A N LEU 166.A O no hydrogen 2.880 N/A TYR 195.A OH GLU 239.A OE2 no hydrogen 2.645 N/A LEU 196.A N LEU 164.A O no hydrogen 3.056 N/A GLY 201.A N THR 154.A O no hydrogen 2.752 N/A HIS 203.A N THR 152.A O no hydrogen 3.021 N/A MET 205.A N LEU 150.A O no hydrogen 3.031 N/A PHE 207.A N MET 148.A O no hydrogen 2.730 N/A TYR 208.A N PHE 179.A O no hydrogen 2.740 N/A VAL 209.A N SER 146.A O no hydrogen 2.987 N/A GLU 210.A N ARG 177.A O no hydrogen 2.960 N/A ALA 211.A N LEU 116.A O no hydrogen 3.084 N/A LEU 212.A N LYS 175.A O no hydrogen 2.946 N/A ASP 216.A N PHE 219.A O no hydrogen 3.004 N/A THR 217.A N ASP 216.A OD1 no hydrogen 3.070 N/A THR 217.A OG1 ASP 216.A OD1 no hydrogen 3.506 N/A PHE 219.A N ASP 216.A O no hydrogen 2.986 N/A ILE 223.A N PHE 249.A O no hydrogen 2.831 N/A THR 224.A N GLU 172.A OE2 no hydrogen 2.887 N/A LEU 225.A N VAL 247.A O no hydrogen 3.188 N/A THR 226.A N HIS 167.A O no hydrogen 2.976 N/A ILE 227.A N ASP 245.A O no hydrogen 2.761 N/A SER 228.A N VAL 165.A O no hydrogen 2.797 N/A LEU 229.A N PHE 243.A O no hydrogen 2.832 N/A LEU 230.A N THR 163.A O no hydrogen 2.764 N/A ASP 231.A N ALA 240.A O no hydrogen 2.932 N/A THR 232.A N ASN 161.A O no hydrogen 2.930 N/A SER 233.A N ASP 231.A OD2 no hydrogen 3.033 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 3.099 N/A SER 233.A OG ASP 231.A OD2 no hydrogen 2.522 N/A LEU 237.A N ASN 234.A O no hydrogen 3.356 N/A ALA 240.A N ASP 231.A O no hydrogen 3.260 N/A VAL 242.A N LEU 229.A O no hydrogen 2.922 N/A GLN 244.A NE2 SER 228.A OG no hydrogen 2.727 N/A ASP 245.A N ILE 227.A O no hydrogen 2.997 N/A VAL 247.A N LEU 225.A O no hydrogen 3.017 N/A PHE 249.A N ILE 223.A O no hydrogen 2.903 N/A ARG 250.A N ALA 113.A O no hydrogen 2.975 N/A ARG 250.A NH1 PRO 220.A O no hydrogen 3.133 N/A VAL 251.A N GLY 221.A O no hydrogen 2.658 N/A ALA 252.A N LEU 115.A O no hydrogen 2.714 N/A TRP 254.A N GLN 401.A OE1 no hydrogen 2.914 N/A TRP 254.A NE1 VAL 313.A O no hydrogen 2.985 N/A ILE 255.A N TYR 303.A O no hydrogen 2.850 N/A MET 256.A N GLN 404.A OE1 no hydrogen 2.854 N/A ASN 259.A ND2 PHE 425.A O no hydrogen 3.155 N/A GLN 261.A N PRO 258.A O no hydrogen 3.076 N/A GLN 264.A N ARG 590.A O no hydrogen 2.797 N/A GLU 265.A N ARG 590.A O no hydrogen 3.377 N/A VAL 266.A N LYS 287.A O no hydrogen 3.107 N/A TYR 267.A N ASN 588.A O no hydrogen 3.005 N/A ALA 268.A N THR 289.A O no hydrogen 3.425 N/A CYS 269.A SG GLN 293.A O no hydrogen 3.459 N/A SER 270.A N CYS 291.A O no hydrogen 2.925 N/A SER 270.A OG CYS 291.A O no hydrogen 3.519 N/A LYS 275.A N ASP 272.A O no hydrogen 3.204 N/A SER 276.A N ASP 272.A O no hydrogen 3.247 N/A SER 276.A OG ASP 272.A O no hydrogen 2.837 N/A VAL 277.A N PHE 273.A O no hydrogen 3.266 N/A THR 278.A N LEU 274.A O no hydrogen 3.299 N/A THR 278.A OG1 LEU 274.A O no hydrogen 2.272 N/A THR 278.A OG1 LYS 275.A O no hydrogen 2.625 N/A THR 279.A N LYS 275.A O no hydrogen 3.093 N/A THR 279.A N SER 276.A O no hydrogen 3.317 N/A THR 279.A OG1 LYS 275.A O no hydrogen 3.411 N/A LEU 280.A N SER 276.A O no hydrogen 3.197 N/A ALA 281.A N VAL 277.A O no hydrogen 2.953 N/A LYS 283.A N THR 279.A O no hydrogen 3.102 N/A ALA 284.A N LEU 280.A O no hydrogen 2.897 N/A CYS 286.A N ALA 281.A O no hydrogen 3.184 N/A THR 289.A N VAL 266.A O no hydrogen 3.041 N/A CYS 291.A N ALA 268.A O no hydrogen 2.910 N/A MET 295.A N GLN 293.A O no hydrogen 3.033 N/A GLN 296.A N ALA 585.A O no hydrogen 3.310 N/A GLN 296.A NE2 HIS 584.A O no hydrogen 3.414 N/A GLN 296.A NE2 THR 587.A O no hydrogen 2.681 N/A ASP 297.A N TRP 294.A O no hydrogen 3.036 N/A GLU 300.A N PHE 315.A O no hydrogen 2.931 N/A GLY 302.A N VAL 313.A O no hydrogen 2.933 N/A TYR 303.A N ILE 255.A O no hydrogen 2.745 N/A ILE 304.A N LEU 311.A O no hydrogen 2.988 N/A ALA 306.A N LYS 309.A O no hydrogen 2.740 N/A HIS 308.A NE2 ASP 144.A O no hydrogen 3.283 N/A LYS 309.A N ALA 306.A O no hydrogen 2.934 N/A LYS 309.A NZ ASP 144.A OD1 no hydrogen 2.640 N/A LEU 311.A N ILE 304.A O no hydrogen 2.955 N/A VAL 313.A N GLY 302.A O no hydrogen 3.123 N/A VAL 314.A N GLY 337.A O no hydrogen 2.724 N/A PHE 315.A N GLU 300.A O no hydrogen 2.755 N/A ASP 316.A N VAL 339.A O no hydrogen 2.883 N/A SER 317.A N GLU 298.A O no hydrogen 2.916 N/A SER 317.A OG ASP 352.A O no hydrogen 2.612 N/A ASN 320.A ND2 GLN 344.A O no hydrogen 3.070 N/A ASN 320.A ND2 GLN 344.A OE1 no hydrogen 3.144 N/A LYS 324.A N ARG 321.A O no hydrogen 3.064 N/A PHE 326.A N LEU 323.A O no hydrogen 3.065 N/A LYS 329.A N GLU 325.A O no hydrogen 3.107 N/A LYS 329.A NZ GLU 325.A OE2 no hydrogen 3.346 N/A ARG 330.A N PHE 326.A O no hydrogen 3.128 N/A MET 332.A N PRO 327.A O no hydrogen 3.155 N/A GLY 333.A N PHE 336.A O no hydrogen 3.192 N/A ASP 335.A N ASP 120.A OD2 no hydrogen 3.223 N/A PHE 336.A N GLY 333.A O no hydrogen 3.024 N/A GLY 337.A N PRO 312.A O no hydrogen 2.711 N/A TYR 338.A N CYS 119.A O no hydrogen 2.691 N/A TYR 338.A OH ASP 316.A OD1 no hydrogen 2.579 N/A VAL 339.A N VAL 314.A O no hydrogen 2.803 N/A THR 340.A OG1 ASP 316.A O no hydrogen 2.702 N/A ARG 341.A NE ASP 216.A OD2 no hydrogen 2.976 N/A ARG 341.A NH1 THR 340.A O no hydrogen 2.818 N/A ARG 341.A NH2 ASP 216.A OD2 no hydrogen 2.607 N/A GLN 344.A NE2 GLY 342.A O no hydrogen 3.005 N/A SER 349.A N ASP 352.A OD1 no hydrogen 3.082 N/A SER 349.A OG GLN 389.A O no hydrogen 3.123 N/A LEU 351.A N SER 349.A OG no hydrogen 3.243 N/A ASP 352.A N SER 349.A O no hydrogen 3.251 N/A SER 353.A N GLY 350.A O no hydrogen 3.133 N/A PHE 354.A N ASP 297.A O no hydrogen 2.833 N/A ASN 356.A N SER 353.A O no hydrogen 2.952 N/A ASN 356.A ND2 LEU 351.A O no hydrogen 3.211 N/A ASN 356.A ND2 GLY 378.A O no hydrogen 2.916 N/A LEU 357.A N PHE 354.A O no hydrogen 2.911 N/A GLU 358.A N LEU 376.A O no hydrogen 2.939 N/A SER 360.A N ARG 374.A O no hydrogen 2.933 N/A SER 360.A OG PRO 361.A O no hydrogen 2.795 N/A VAL 363.A N TYR 370.A O no hydrogen 3.119 N/A VAL 365.A N LYS 368.A O no hydrogen 2.969 N/A LYS 368.A N VAL 365.A O no hydrogen 2.781 N/A LYS 368.A NZ PRO 603.A O no hydrogen 3.282 N/A TYR 370.A N VAL 363.A O no hydrogen 2.839 N/A GLY 373.A N TYR 370.A O no hydrogen 3.095 N/A ARG 374.A N SER 360.A OG no hydrogen 2.984 N/A ARG 374.A NE ALA 405.A O no hydrogen 2.843 N/A ARG 374.A NH1 GLU 496.A O no hydrogen 2.903 N/A ARG 374.A NH1 GLU 496.A OE1 no hydrogen 3.070 N/A ARG 374.A NH2 ALA 405.A O no hydrogen 3.078 N/A ILE 375.A N GLN 404.A O no hydrogen 2.921 N/A LEU 376.A N GLU 358.A O no hydrogen 2.748 N/A PHE 377.A N VAL 407.A O no hydrogen 3.122 N/A GLY 378.A N ASN 356.A OD1 no hydrogen 3.168 N/A ASP 379.A N LEU 409.A O no hydrogen 2.631 N/A SER 380.A OG TYR 382.A O no hydrogen 3.256 N/A SER 380.A OG ARG 388.A O no hydrogen 3.361 N/A SER 384.A N SER 387.A OG no hydrogen 3.040 N/A SER 387.A N SER 384.A O no hydrogen 3.297 N/A SER 387.A OG SER 380.A OG no hydrogen 3.367 N/A SER 387.A OG TYR 382.A O no hydrogen 3.524 N/A SER 387.A OG SER 384.A O no hydrogen 3.343 N/A ARG 388.A N ASP 412.A OD1 no hydrogen 3.212 N/A ARG 388.A N ASP 412.A OD2 no hydrogen 3.304 N/A ARG 388.A NH2 LEU 414.A O no hydrogen 3.322 N/A GLN 389.A NE2 MET 390.A O no hydrogen 2.578 N/A HIS 391.A N ASP 352.A OD2 no hydrogen 2.761 N/A ALA 393.A N HIS 391.A ND1 no hydrogen 3.012 N/A LEU 394.A N HIS 391.A O no hydrogen 3.012 N/A GLN 395.A N HIS 391.A O no hydrogen 3.207 N/A ASP 396.A N GLN 392.A O no hydrogen 2.839 N/A PHE 397.A N ALA 393.A O no hydrogen 3.136 N/A LEU 398.A N LEU 394.A O no hydrogen 2.932 N/A SER 399.A N GLN 395.A O no hydrogen 2.996 N/A ALA 400.A N ASP 396.A O no hydrogen 2.946 N/A GLN 401.A N PHE 397.A O no hydrogen 3.300 N/A GLN 401.A N LEU 398.A O no hydrogen 3.323 N/A GLN 401.A NE2 PRO 215.A O no hydrogen 2.748 N/A GLN 401.A NE2 PHE 397.A O no hydrogen 3.025 N/A GLN 404.A NE2 MET 256.A O no hydrogen 2.665 N/A GLN 404.A NE2 LEU 372.A O no hydrogen 2.942 N/A ALA 405.A N GLN 402.A O no hydrogen 3.315 N/A VAL 407.A N ILE 375.A O no hydrogen 2.886 N/A LEU 409.A N PHE 377.A O no hydrogen 2.742 N/A TYR 410.A N ASN 489.A OD1 no hydrogen 2.755 N/A SER 411.A N ASP 379.A O no hydrogen 2.797 N/A SER 411.A OG GLY 417.A O no hydrogen 2.658 N/A ASP 412.A N ASP 379.A O no hydrogen 3.288 N/A TRP 413.A NE1 TYR 410.A O no hydrogen 2.890 N/A LEU 414.A N SER 411.A O no hydrogen 3.034 N/A SER 415.A N ALA 519.A O no hydrogen 2.781 N/A SER 415.A OG GLU 520.A OE2 no hydrogen 3.448 N/A HIS 418.A N GLU 421.A OE2 no hydrogen 2.869 N/A HIS 418.A NE2 GLY 350.A O no hydrogen 2.850 N/A VAL 419.A N ASN 356.A OD1 no hydrogen 3.146 N/A ASP 420.A N GLY 355.A O no hydrogen 3.377 N/A GLU 421.A N HIS 418.A O no hydrogen 2.783 N/A PHE 422.A N VAL 419.A O no hydrogen 3.222 N/A LEU 423.A N VAL 419.A O no hydrogen 2.922 N/A SER 424.A N LEU 437.A O no hydrogen 2.911 N/A SER 424.A OG PHE 425.A O no hydrogen 3.419 N/A VAL 426.A N ARG 435.A O no hydrogen 2.933 N/A ALA 428.A N GLY 433.A O no hydrogen 3.187 N/A ARG 431.A NE ASP 503.A OD1 no hydrogen 2.861 N/A ARG 431.A NH2 ASP 503.A OD2 no hydrogen 3.314 N/A LYS 432.A NZ ASP 503.A OD2 no hydrogen 2.799 N/A GLY 433.A N ASP 430.A O no hydrogen 2.992 N/A ARG 435.A N VAL 426.A O no hydrogen 2.796 N/A LEU 436.A N ASP 503.A O no hydrogen 3.016 N/A LEU 437.A N SER 424.A O no hydrogen 2.763 N/A LEU 438.A N ILE 505.A O no hydrogen 3.125 N/A ALA 439.A N PHE 422.A O no hydrogen 3.085 N/A SER 440.A N ILE 507.A O no hydrogen 2.873 N/A ARG 442.A NH2 ASP 506.A OD1 no hydrogen 3.114 N/A SER 443.A N SER 440.A OG no hydrogen 3.140 N/A CYS 444.A N SER 440.A O no hydrogen 3.421 N/A TYR 445.A N PRO 441.A O no hydrogen 2.941 N/A LYS 446.A N ARG 442.A O no hydrogen 2.975 N/A LEU 447.A N SER 443.A O no hydrogen 2.975 N/A PHE 448.A N CYS 444.A O no hydrogen 3.008 N/A GLN 449.A N TYR 445.A O no hydrogen 2.908 N/A GLU 450.A N LYS 446.A O no hydrogen 2.984 N/A GLN 451.A N LEU 447.A O no hydrogen 3.027 N/A GLN 451.A NE2 LEU 447.A O no hydrogen 3.007 N/A GLN 452.A N PHE 448.A O no hydrogen 3.026 N/A ASN 453.A N GLN 449.A O no hydrogen 3.008 N/A GLU 454.A N GLU 450.A O no hydrogen 3.050 N/A GLY 455.A N GLN 452.A O no hydrogen 3.282 N/A HIS 456.A N GLN 451.A O no hydrogen 3.018 N/A ALA 459.A N HIS 456.A O no hydrogen 2.947 N/A LEU 461.A N GLN 464.A O no hydrogen 2.678 N/A PHE 462.A N PHE 542.A O no hydrogen 3.206 N/A GLN 464.A N LEU 461.A O no hydrogen 3.171 N/A LYS 465.A NZ GLU 458.A OE1 no hydrogen 3.352 N/A ILE 466.A N ALA 459.A O no hydrogen 2.943 N/A LYS 467.A N GLY 457.A O no hydrogen 3.054 N/A ASN 468.A N LYS 465.A O no hydrogen 2.900 N/A ILE 469.A N LYS 465.A O no hydrogen 3.106 N/A LEU 470.A N ILE 466.A O no hydrogen 3.058 N/A SER 471.A N LYS 467.A O no hydrogen 3.202 N/A SER 471.A OG ASN 468.A O no hydrogen 3.295 N/A ASN 472.A N ASN 468.A O no hydrogen 2.962 N/A THR 474.A N ASN 472.A OD1 no hydrogen 2.974 N/A LEU 475.A N ASN 472.A OD1 no hydrogen 3.078 N/A ARG 476.A N ASN 472.A O no hydrogen 3.376 N/A GLU 477.A N LYS 473.A O no hydrogen 3.286 N/A HIS 478.A N THR 474.A O no hydrogen 3.061 N/A ASN 479.A N LEU 475.A O no hydrogen 3.003 N/A ASN 479.A ND2 LEU 475.A O no hydrogen 2.690 N/A ASN 479.A ND2 PHE 511.A O no hydrogen 2.906 N/A SER 480.A N GLU 477.A O no hydrogen 3.040 N/A SER 480.A OG ARG 476.A O no hydrogen 3.314 N/A PHE 481.A N GLU 477.A O no hydrogen 3.109 N/A VAL 482.A N HIS 478.A O no hydrogen 3.113 N/A GLU 483.A N ASN 479.A O no hydrogen 3.123 N/A ARG 484.A N SER 480.A O no hydrogen 2.916 N/A CYS 485.A N PHE 481.A O no hydrogen 3.051 N/A CYS 485.A N VAL 482.A O no hydrogen 3.057 N/A CYS 485.A SG PHE 481.A O no hydrogen 3.177 N/A ILE 486.A N VAL 482.A O no hydrogen 2.921 N/A ASP 487.A N GLU 483.A O no hydrogen 2.808 N/A TRP 488.A N ARG 484.A O no hydrogen 3.020 N/A TRP 488.A N CYS 485.A O no hydrogen 3.229 N/A ASN 489.A N CYS 485.A O no hydrogen 3.454 N/A ASN 489.A ND2 TYR 410.A O no hydrogen 3.054 N/A ASN 489.A ND2 CYS 485.A O no hydrogen 2.944 N/A ARG 490.A N ILE 486.A O no hydrogen 2.892 N/A ARG 490.A NE GLU 501.A OE2 no hydrogen 2.825 N/A ARG 490.A NH1 ASP 506.A OD1 no hydrogen 3.283 N/A ARG 490.A NH1 ASP 506.A OD2 no hydrogen 2.835 N/A ARG 490.A NH2 GLU 501.A OE1 no hydrogen 2.807 N/A ARG 490.A NH2 ASP 506.A OD1 no hydrogen 2.985 N/A GLU 491.A N ASP 487.A O no hydrogen 3.293 N/A LEU 492.A N TRP 488.A O no hydrogen 3.114 N/A LEU 493.A N ASN 489.A O no hydrogen 2.748 N/A LYS 494.A N ARG 490.A O no hydrogen 2.837 N/A LYS 494.A NZ GLU 491.A OE1 no hydrogen 3.564 N/A LYS 494.A NZ GLU 491.A OE2 no hydrogen 3.135 N/A LYS 494.A NZ GLU 501.A OE2 no hydrogen 2.898 N/A ARG 495.A N GLU 491.A O no hydrogen 2.951 N/A GLU 496.A N LEU 492.A O no hydrogen 2.741 N/A LEU 497.A N LEU 493.A O no hydrogen 2.849 N/A LEU 499.A N LYS 494.A O no hydrogen 3.226 N/A ALA 500.A N ASP 503.A OD2 no hydrogen 3.047 N/A ASP 503.A N ALA 500.A O no hydrogen 2.746 N/A ILE 504.A N GLU 501.A O no hydrogen 2.985 N/A ILE 505.A N LEU 436.A O no hydrogen 2.831 N/A ILE 507.A N LEU 438.A O no hydrogen 3.109 N/A GLN 509.A N SER 440.A O no hydrogen 3.011 N/A GLN 509.A NE2 LEU 510.A O no hydrogen 3.166 N/A GLN 509.A NE2 PHE 523.A O no hydrogen 3.036 N/A PHE 511.A N ASN 479.A OD1 no hydrogen 2.781 N/A LYS 512.A N GLU 520.A O no hydrogen 2.918 N/A LYS 514.A N LYS 518.A O no hydrogen 2.924 N/A SER 517.A N LYS 514.A O no hydrogen 3.087 N/A LYS 518.A N GLU 515.A O no hydrogen 3.229 N/A LYS 518.A NZ ASP 412.A O no hydrogen 3.013 N/A ALA 519.A N TRP 413.A O no hydrogen 2.962 N/A GLU 520.A N LYS 512.A O no hydrogen 2.959 N/A PHE 522.A N LEU 510.A O no hydrogen 3.102 N/A ASN 525.A N GLU 582.A OE1 no hydrogen 3.192 N/A MET 526.A N GLN 509.A OE1 no hydrogen 3.100 N/A ASN 528.A N ASN 525.A O no hydrogen 3.131 N/A ASN 528.A ND2 ASP 420.A O no hydrogen 2.823 N/A LEU 530.A N GLY 537.A O no hydrogen 2.992 N/A LEU 532.A N HIS 535.A O no hydrogen 3.108 N/A HIS 535.A N LEU 532.A O no hydrogen 3.333 N/A LEU 536.A N GLN 566.A O no hydrogen 3.176 N/A GLY 537.A N LEU 530.A O no hydrogen 2.893 N/A ILE 538.A N THR 568.A O no hydrogen 2.875 N/A LYS 540.A N ILE 570.A O no hydrogen 2.779 N/A LYS 540.A NZ PHE 569.A O no hydrogen 3.036 N/A ILE 546.A N ARG 549.A O no hydrogen 2.972 N/A ARG 549.A N ILE 546.A O no hydrogen 2.960 N/A CYS 551.A N PRO 544.A O no hydrogen 2.937 N/A CYS 551.A SG PRO 544.A O no hydrogen 3.299 N/A GLU 554.A N CYS 550.A O no hydrogen 3.068 N/A LYS 555.A N CYS 551.A O no hydrogen 2.992 N/A LYS 555.A NZ SER 443.A OG no hydrogen 3.317 N/A VAL 556.A N LEU 552.A O no hydrogen 3.159 N/A CYS 557.A N GLU 553.A O no hydrogen 2.938 N/A CYS 557.A SG GLU 553.A O no hydrogen 3.216 N/A SER 558.A N GLU 554.A O no hydrogen 2.962 N/A SER 558.A OG LYS 555.A O no hydrogen 3.395 N/A LEU 559.A N VAL 556.A O no hydrogen 2.945 N/A LEU 560.A N VAL 556.A O no hydrogen 2.725 N/A LEU 560.A N CYS 557.A O no hydrogen 3.173 N/A GLU 561.A N CYS 557.A O no hydrogen 2.807 N/A LEU 563.A N LEU 560.A O no hydrogen 3.108 N/A GLY 564.A N GLU 561.A O no hydrogen 2.795 N/A LEU 565.A N LEU 560.A O no hydrogen 3.181 N/A GLN 566.A N LYS 534.A O no hydrogen 3.010 N/A THR 568.A N LEU 536.A O no hydrogen 2.933 N/A ILE 570.A N ILE 538.A O no hydrogen 2.801 N/A PHE 573.A N ASN 571.A OD1 no hydrogen 3.185 N/A HIS 577.A N ASP 572.A O no hydrogen 2.840 N/A HIS 577.A ND1 GLU 582.A OE1 no hydrogen 3.103 N/A ILE 578.A N PHE 573.A O no hydrogen 3.174 N/A ARG 579.A N TYR 576.A O no hydrogen 3.107 N/A HIS 580.A N HIS 577.A O no hydrogen 3.168 N/A GLY 581.A N TYR 576.A O no hydrogen 3.363 N/A HIS 584.A N ASN 528.A O no hydrogen 3.239 N/A HIS 584.A ND1 ASP 420.A OD1 no hydrogen 2.515 N/A ALA 585.A N ASN 528.A OD1 no hydrogen 3.177 N/A GLY 586.A N GLU 582.A O no hydrogen 2.874 N/A GLY 586.A N VAL 583.A O no hydrogen 3.106 N/A THR 587.A N HIS 584.A O no hydrogen 3.460 N/A THR 587.A OG1 VAL 583.A O no hydrogen 2.570 N/A THR 587.A OG1 HIS 584.A O no hydrogen 3.486 N/A ASN 588.A N TYR 267.A O no hydrogen 3.139 N/A ARG 590.A N GLU 265.A O no hydrogen 2.809 N/A ARG 590.A NE GLN 264.A OE1 no hydrogen 3.563 N/A ARG 590.A NH1 GLU 265.A OE2 no hydrogen 2.444 N/A ARG 591.A NH2 VAL 531.A O no hydrogen 2.518 N/A LYS 592.A N PRO 262.A O no hydrogen 2.944 N/A LYS 597.A NZ SER 595.A O no hydrogen 2.789 N/A TRP 598.A N GLN 305.A OE1 no hydrogen 3.283 N/A TRP 598.A NE1 GLN 305.A O no hydrogen 2.813 N/A ASN 600.A N LYS 597.A O no hydrogen 2.770 N/A MET 601.A N TRP 598.A O no hydrogen 3.143 N/A