Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r6f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 19.A OE1 no hydrogen 2.639 N/A ILE 3.A N ILE 20.A O no hydrogen 3.069 N/A ILE 4.A N GLU 75.A O no hydrogen 2.987 N/A VAL 5.A N VAL 18.A O no hydrogen 2.978 N/A LYS 6.A N ALA 73.A O no hydrogen 2.817 N/A GLY 7.A N ASP 17.A OD1 no hydrogen 2.982 N/A ALA 8.A N ILE 16.A O no hydrogen 2.897 N/A ARG 9.A N ASP 70.A O no hydrogen 3.083 N/A ARG 9.A NH1 ASN 15.A OD1 no hydrogen 3.231 N/A ARG 9.A NH1 ASP 72.A OD1 no hydrogen 3.416 N/A ARG 9.A NH1 ASP 72.A OD2 no hydrogen 3.283 N/A ARG 9.A NH2 ASP 72.A OD1 no hydrogen 3.382 N/A ASN 12.A ND2 GLY 33.A O no hydrogen 3.161 N/A ASN 12.A ND2 SER 34.A O no hydrogen 3.051 N/A ASN 12.A ND2 GLY 503.A O no hydrogen 2.884 N/A LYS 14.A N GLY 507.A O no hydrogen 2.994 N/A LYS 14.A NZ ASN 12.A O no hydrogen 2.636 N/A LYS 14.A NZ ILE 504.A O no hydrogen 3.249 N/A LYS 14.A NZ GLY 506.A O no hydrogen 2.740 N/A ILE 16.A N ALA 8.A O no hydrogen 3.158 N/A VAL 18.A N VAL 5.A O no hydrogen 2.932 N/A ILE 20.A N ILE 3.A O no hydrogen 3.057 N/A ARG 22.A N ASP 1.A O no hydrogen 3.449 N/A VAL 26.A N LEU 480.A O no hydrogen 2.970 N/A VAL 27.A N TYR 494.A O no hydrogen 3.019 N/A LEU 28.A N VAL 482.A O no hydrogen 2.718 N/A THR 29.A N ILE 496.A O no hydrogen 2.818 N/A THR 29.A OG1 GLU 484.A O no hydrogen 3.307 N/A SER 32.A N ASP 799.A OD1 no hydrogen 2.884 N/A SER 32.A OG TYR 753.A OH no hydrogen 3.087 N/A SER 34.A N LEU 31.A O no hydrogen 3.162 N/A SER 34.A OG LEU 31.A O no hydrogen 2.596 N/A LYS 36.A NZ LEU 31.A O no hydrogen 2.573 N/A LEU 39.A N GLY 35.A O no hydrogen 3.266 N/A LEU 39.A N LYS 36.A O no hydrogen 3.257 N/A ALA 40.A N LYS 36.A O no hydrogen 2.694 N/A PHE 41.A N SER 37.A O no hydrogen 2.794 N/A ASP 42.A N SER 37.A O no hydrogen 2.738 N/A THR 43.A OG1 SER 38.A O no hydrogen 2.682 N/A ILE 44.A N LEU 39.A O no hydrogen 2.906 N/A TYR 45.A N ALA 40.A O no hydrogen 3.113 N/A ALA 46.A N PHE 41.A O no hydrogen 3.102 N/A GLU 47.A N THR 43.A O no hydrogen 3.245 N/A GLY 48.A N ILE 44.A O no hydrogen 3.065 N/A GLN 49.A N TYR 45.A O no hydrogen 3.039 N/A ARG 50.A N ALA 46.A O no hydrogen 3.200 N/A ARG 50.A NE GLU 54.A OE1 no hydrogen 3.298 N/A ARG 50.A NH1 GLU 47.A OE2 no hydrogen 3.240 N/A ARG 50.A NH2 GLU 47.A OE1 no hydrogen 3.162 N/A ARG 50.A NH2 GLU 47.A OE2 no hydrogen 3.505 N/A ARG 51.A N GLU 47.A O no hydrogen 3.049 N/A ARG 51.A NH1 ILE 74.A O no hydrogen 3.258 N/A ARG 51.A NH2 ILE 74.A O no hydrogen 3.488 N/A TYR 52.A N GLN 49.A O no hydrogen 3.109 N/A VAL 53.A N GLN 49.A O no hydrogen 2.943 N/A GLU 54.A N ARG 50.A O no hydrogen 2.579 N/A SER 55.A N TYR 52.A O no hydrogen 2.808 N/A SER 55.A OG ARG 51.A O no hydrogen 3.061 N/A LEU 56.A N VAL 53.A O no hydrogen 3.075 N/A ALA 60.A N SER 57.A OG no hydrogen 2.980 N/A ARG 61.A N ALA 58.A O no hydrogen 3.142 N/A ARG 61.A NH1 GLU 54.A O no hydrogen 3.255 N/A GLN 62.A N ALA 58.A O no hydrogen 3.313 N/A PHE 63.A N TYR 59.A O no hydrogen 3.086 N/A LEU 64.A N ALA 60.A O no hydrogen 3.196 N/A GLY 65.A N ARG 61.A O no hydrogen 2.681 N/A ALA 73.A N LYS 6.A O no hydrogen 3.415 N/A GLU 75.A N ILE 4.A O no hydrogen 2.975 N/A ILE 81.A N LEU 449.A O no hydrogen 3.246 N/A ILE 83.A N VAL 451.A O no hydrogen 3.149 N/A THR 87.A OG1 THR 87.A O no hydrogen 2.644 N/A THR 88.A N GLN 85.A O no hydrogen 3.411 N/A THR 88.A OG1 GLN 85.A O no hydrogen 2.983 N/A ARG 90.A N ASN 91.A OD1 no hydrogen 3.125 N/A ARG 93.A NH1 ASP 228.A O no hydrogen 3.156 N/A ARG 93.A NH2 ASP 228.A O no hydrogen 3.304 N/A ARG 93.A NH2 ASP 228.A OD2 no hydrogen 3.385 N/A SER 94.A OG THR 98.A OG1 no hydrogen 3.062 N/A THR 95.A N THR 98.A OG1 no hydrogen 2.911 N/A THR 95.A OG1 LEU 420.A O no hydrogen 3.353 N/A VAL 96.A N ARG 422.A O no hydrogen 3.143 N/A GLY 97.A N LEU 420.A O no hydrogen 3.033 N/A THR 98.A N THR 95.A OG1 no hydrogen 3.089 N/A THR 98.A OG1 SER 94.A OG no hydrogen 3.062 N/A THR 98.A OG1 THR 95.A O no hydrogen 2.669 N/A VAL 99.A N THR 95.A O no hydrogen 2.948 N/A THR 100.A N VAL 96.A O no hydrogen 3.091 N/A THR 100.A OG1 VAL 96.A O no hydrogen 2.581 N/A THR 100.A OG1 GLY 97.A O no hydrogen 3.294 N/A GLU 101.A N THR 98.A O no hydrogen 3.005 N/A TYR 103.A N GLY 97.A O no hydrogen 2.824 N/A TYR 103.A OH PHE 215.A O no hydrogen 2.956 N/A TYR 105.A N GLU 101.A O no hydrogen 3.457 N/A LEU 106.A N ILE 102.A O no hydrogen 3.037 N/A ARG 107.A N TYR 103.A O no hydrogen 2.968 N/A ARG 107.A NE PRO 212.A O no hydrogen 3.110 N/A LEU 108.A N ASP 104.A O no hydrogen 2.962 N/A LEU 109.A N TYR 105.A O no hydrogen 2.747 N/A PHE 110.A N LEU 106.A O no hydrogen 2.888 N/A ALA 111.A N ARG 107.A O no hydrogen 2.953 N/A ARG 112.A N LEU 108.A O no hydrogen 3.135 N/A ILE 113.A N LEU 109.A O no hydrogen 3.054 N/A ARG 115.A N LEU 363.A O no hydrogen 3.031 N/A ILE 117.A N ALA 361.A O no hydrogen 3.320 N/A CYS 118.A N ILE 123.A O no hydrogen 3.156 N/A CYS 118.A SG HIS 121.A ND1 no hydrogen 3.949 N/A GLY 122.A N CYS 118.A O no hydrogen 2.671 N/A ILE 125.A N PRO 116.A O no hydrogen 3.104 N/A SER 127.A OG HIS 198.A NE2 no hydrogen 3.269 N/A GLN 128.A N SER 195.A O no hydrogen 3.067 N/A ASP 134.A N GLU 131.A O no hydrogen 3.519 N/A ARG 135.A N GLN 132.A O no hydrogen 3.372 N/A LEU 137.A N VAL 133.A O no hydrogen 2.959 N/A TYR 139.A N LEU 136.A O no hydrogen 3.228 N/A ARG 142.A N ILE 159.A O no hydrogen 3.074 N/A THR 143.A OG1 PRO 140.A O no hydrogen 2.632 N/A ILE 146.A N ASP 155.A O no hydrogen 3.167 N/A LEU 147.A N VAL 183.A O no hydrogen 3.252 N/A ALA 148.A N VAL 152.A O no hydrogen 2.736 N/A VAL 154.A N ILE 146.A O no hydrogen 2.718 N/A ASP 155.A N ILE 146.A O no hydrogen 3.282 N/A ILE 159.A N THR 143.A O no hydrogen 3.490 N/A LEU 167.A N ILE 163.A O no hydrogen 3.038 N/A ALA 168.A N ALA 164.A O no hydrogen 3.082 N/A ASP 169.A N ALA 165.A O no hydrogen 3.291 N/A ASP 169.A N ARG 166.A O no hydrogen 2.732 N/A SER 170.A N ARG 166.A O no hydrogen 2.739 N/A SER 170.A OG ASP 155.A OD1 no hydrogen 3.165 N/A SER 170.A OG ASP 155.A OD2 no hydrogen 2.631 N/A SER 170.A OG ARG 166.A O no hydrogen 3.546 N/A LEU 171.A N LEU 167.A O no hydrogen 3.229 N/A GLU 172.A N ALA 168.A O no hydrogen 3.299 N/A THR 173.A N ASP 169.A O no hydrogen 2.873 N/A THR 173.A OG1 ASP 169.A O no hydrogen 2.804 N/A THR 173.A OG1 ASP 169.A OD1 no hydrogen 3.494 N/A ALA 174.A N SER 170.A O no hydrogen 2.685 N/A LEU 175.A N LEU 171.A O no hydrogen 2.730 N/A LYS 176.A N GLU 172.A O no hydrogen 3.191 N/A LYS 176.A N THR 173.A O no hydrogen 3.160 N/A LEU 177.A N THR 173.A O no hydrogen 3.151 N/A LEU 177.A N ALA 174.A O no hydrogen 3.251 N/A ALA 178.A N ALA 174.A O no hydrogen 3.039 N/A GLY 180.A N LEU 175.A O no hydrogen 2.746 N/A VAL 182.A N PHE 194.A O no hydrogen 3.187 N/A VAL 183.A N LEU 147.A O no hydrogen 3.304 N/A VAL 184.A N LEU 192.A O no hydrogen 3.160 N/A ASP 185.A N GLN 145.A O no hydrogen 3.350 N/A ILE 187.A N LYS 144.A O no hydrogen 2.730 N/A GLU 189.A N VAL 186.A O no hydrogen 2.722 N/A SER 195.A OG LYS 197.A O no hydrogen 3.036 N/A GLU 196.A N GLY 180.A O no hydrogen 2.742 N/A LYS 197.A NZ ASP 179.A O no hydrogen 3.121 N/A LYS 197.A NZ ASP 179.A OD2 no hydrogen 3.121 N/A CYS 200.A N PHE 205.A O no hydrogen 3.105 N/A CYS 200.A SG HIS 121.A ND1 no hydrogen 3.366 N/A CYS 203.A N CYS 200.A O no hydrogen 3.494 N/A CYS 203.A SG HIS 121.A ND1 no hydrogen 3.925 N/A SER 206.A OG HIS 198.A O no hydrogen 3.204 N/A ILE 207.A N HIS 198.A O no hydrogen 3.195 N/A GLY 208.A N SER 206.A OG no hydrogen 3.347 N/A ARG 213.A NE GLU 211.A OE1 no hydrogen 3.071 N/A ARG 213.A NH1 GLU 211.A OE1 no hydrogen 3.406 N/A LEU 214.A N GLU 211.A O no hydrogen 2.898 N/A PHE 215.A N PRO 212.A O no hydrogen 2.871 N/A SER 216.A N ARG 213.A O no hydrogen 3.322 N/A ASN 218.A N SER 216.A OG no hydrogen 3.306 N/A PHE 221.A N SER 219.A OG no hydrogen 3.218 N/A GLY 222.A N SER 219.A O no hydrogen 2.878 N/A ALA 223.A N SER 219.A O no hydrogen 2.883 N/A CYS 224.A N ARG 354.A O no hydrogen 3.212 N/A LYS 233.A N GLN 345.A O no hydrogen 2.725 N/A GLU 235.A N ALA 343.A O no hydrogen 3.372 N/A ASP 237.A N TYR 342.A O no hydrogen 3.326 N/A ASP 239.A N ASP 237.A OD1 no hydrogen 3.182 N/A LEU 240.A N ASP 237.A O no hydrogen 3.110 N/A VAL 241.A N ASP 237.A O no hydrogen 3.371 N/A LEU 249.A N VAL 277.A O no hydrogen 3.179 N/A GLU 251.A N THR 248.A O no hydrogen 3.167 N/A ALA 255.A N VAL 241.A O no hydrogen 2.991 N/A GLU 258.A N PRO 256.A O no hydrogen 2.990 N/A LEU 264.A N TYR 260.A O no hydrogen 3.003 N/A LEU 264.A N TYR 261.A O no hydrogen 3.207 N/A LEU 265.A N TYR 261.A O no hydrogen 3.304 N/A ALA 267.A N GLN 263.A O no hydrogen 3.369 N/A VAL 268.A N LEU 264.A O no hydrogen 3.115 N/A CYS 269.A N LEU 265.A O no hydrogen 2.791 N/A CYS 269.A SG LEU 265.A O no hydrogen 3.299 N/A ARG 270.A N GLU 266.A O no hydrogen 2.989 N/A HIS 271.A N ALA 267.A O no hydrogen 3.297 N/A TYR 272.A N VAL 268.A O no hydrogen 3.336 N/A TYR 272.A OH GLU 297.A OE1 no hydrogen 3.367 N/A GLY 273.A N CYS 269.A O no hydrogen 2.662 N/A ASP 281.A N PRO 278.A O no hydrogen 2.920 N/A LEU 282.A N VAL 279.A O no hydrogen 2.963 N/A GLN 286.A NE2 GLY 273.A O no hydrogen 3.348 N/A LEU 287.A N PRO 283.A O no hydrogen 3.413 N/A ASP 288.A N LYS 284.A O no hydrogen 2.953 N/A LYS 289.A N GLU 285.A O no hydrogen 3.246 N/A LEU 291.A N LEU 287.A O no hydrogen 3.001 N/A TYR 292.A N ASP 288.A O no hydrogen 2.656 N/A GLY 293.A N LYS 289.A O no hydrogen 2.888 N/A SER 294.A OG GLU 297.A O no hydrogen 2.908 N/A SER 294.A OG PHE 317.A O no hydrogen 3.299 N/A ILE 299.A N ILE 315.A O no hydrogen 3.059 N/A TYR 300.A OH GLU 312.A OE1 no hydrogen 2.795 N/A THR 304.A N GLN 263.A OE1 no hydrogen 3.151 N/A ASN 305.A N GLN 309.A O no hydrogen 3.010 N/A ARG 311.A N TYR 303.A O no hydrogen 3.125 N/A GLN 313.A N PHE 301.A O no hydrogen 2.879 N/A VAL 320.A N ILE 290.A O no hydrogen 2.897 N/A ILE 321.A N LEU 291.A O no hydrogen 2.892 N/A GLU 325.A N ILE 321.A O no hydrogen 3.481 N/A ARG 326.A N PRO 322.A O no hydrogen 2.971 N/A ARG 326.A NH2 GLU 318.A OE2 no hydrogen 3.125 N/A ARG 327.A N ASN 323.A O no hydrogen 2.892 N/A ARG 327.A NH2 ASN 323.A OD1 no hydrogen 3.108 N/A TYR 328.A N VAL 324.A O no hydrogen 2.963 N/A ARG 329.A N GLU 325.A O no hydrogen 3.154 N/A GLU 330.A N ARG 326.A O no hydrogen 3.408 N/A THR 331.A OG1 ARG 327.A O no hydrogen 3.242 N/A ARG 337.A N SER 333.A O no hydrogen 3.035 N/A ALA 343.A N GLU 235.A O no hydrogen 3.062 N/A GLN 345.A NE2 GLU 344.A O no hydrogen 2.769 N/A CYS 347.A N GLY 231.A O no hydrogen 2.898 N/A THR 349.A OG1 ASP 226.A OD1 no hydrogen 2.608 N/A TYR 353.A N CYS 350.A O no hydrogen 2.745 N/A ARG 354.A NE GLY 229.A O no hydrogen 3.037 N/A ARG 354.A NH2 ARG 93.A O no hydrogen 3.233 N/A ARG 354.A NH2 GLY 229.A O no hydrogen 3.302 N/A LYS 356.A N GLY 222.A O no hydrogen 2.941 N/A LYS 356.A NZ PRO 220.A O no hydrogen 3.039 N/A GLU 358.A N GLU 358.A OE2 no hydrogen 2.668 N/A SER 359.A N LYS 356.A O no hydrogen 3.216 N/A SER 359.A OG LEU 214.A O no hydrogen 2.713 N/A LEU 360.A N LYS 356.A O no hydrogen 3.281 N/A ALA 361.A N GLU 358.A O no hydrogen 3.289 N/A VAL 362.A N SER 359.A O no hydrogen 3.422 N/A LEU 363.A N ARG 115.A O no hydrogen 3.003 N/A VAL 364.A N LYS 367.A O no hydrogen 2.955 N/A HIS 368.A N GLU 371.A OE2 no hydrogen 3.329 N/A GLU 371.A N HIS 368.A O no hydrogen 2.881 N/A VAL 372.A N HIS 368.A O no hydrogen 3.100 N/A THR 373.A N ILE 369.A O no hydrogen 3.052 N/A THR 373.A OG1 ILE 369.A O no hydrogen 3.044 N/A ALA 374.A N GLY 370.A O no hydrogen 3.026 N/A SER 375.A OG THR 377.A OG1 no hydrogen 2.974 N/A SER 375.A OG GLU 378.A OE2 no hydrogen 3.213 N/A VAL 376.A N LEU 418.A O no hydrogen 3.220 N/A THR 377.A N ASP 416.A O no hydrogen 3.196 N/A THR 377.A OG1 SER 375.A OG no hydrogen 2.974 N/A GLU 378.A N SER 375.A OG no hydrogen 3.222 N/A ALA 379.A N SER 375.A O no hydrogen 2.865 N/A LEU 380.A N VAL 376.A O no hydrogen 2.941 N/A ALA 381.A N THR 377.A O no hydrogen 3.186 N/A PHE 382.A N GLU 378.A O no hydrogen 2.853 N/A PHE 383.A N ALA 379.A O no hydrogen 3.164 N/A ASP 384.A N ALA 381.A O no hydrogen 3.053 N/A GLY 385.A N ALA 381.A O no hydrogen 3.011 N/A LEU 386.A N PHE 382.A O no hydrogen 2.638 N/A THR 389.A N GLU 392.A OE2 no hydrogen 3.285 N/A GLU 392.A N THR 389.A OG1 no hydrogen 2.972 N/A ALA 393.A N THR 389.A O no hydrogen 3.338 N/A GLN 394.A N GLU 390.A O no hydrogen 3.044 N/A ILE 395.A N LYS 391.A O no hydrogen 2.739 N/A ILE 395.A N GLU 392.A O no hydrogen 3.124 N/A ALA 396.A N GLU 392.A O no hydrogen 2.813 N/A LEU 400.A N ALA 396.A O no hydrogen 2.882 N/A ARG 401.A N ARG 397.A O no hydrogen 3.252 N/A ILE 403.A N ILE 399.A O no hydrogen 3.120 N/A ARG 404.A N LEU 400.A O no hydrogen 2.766 N/A ASP 405.A N ARG 401.A O no hydrogen 2.687 N/A ARG 406.A N GLU 402.A O no hydrogen 2.991 N/A ARG 406.A NH2 GLY 442.A O no hydrogen 3.564 N/A LEU 407.A N ILE 403.A O no hydrogen 3.185 N/A GLY 408.A N ARG 404.A O no hydrogen 3.405 N/A PHE 409.A N ASP 405.A O no hydrogen 2.770 N/A LEU 410.A N ARG 406.A O no hydrogen 2.937 N/A GLN 411.A N LEU 407.A O no hydrogen 3.032 N/A ASN 412.A N GLY 408.A O no hydrogen 2.823 N/A VAL 413.A N PHE 409.A O no hydrogen 3.165 N/A GLY 414.A N GLN 411.A O no hydrogen 3.049 N/A LEU 415.A N LEU 410.A O no hydrogen 2.845 N/A TYR 417.A OH GLU 431.A OE2 no hydrogen 2.614 N/A LEU 418.A N LEU 415.A O no hydrogen 3.334 N/A THR 419.A OG1 SER 421.A OG no hydrogen 3.420 N/A SER 421.A OG THR 419.A OG1 no hydrogen 3.420 N/A ARG 422.A N THR 419.A OG1 no hydrogen 3.317 N/A ARG 422.A NE THR 426.A OG1 no hydrogen 2.993 N/A ALA 424.A N SER 94.A O no hydrogen 2.714 N/A THR 426.A N SER 423.A O no hydrogen 3.231 N/A THR 426.A OG1 SER 423.A O no hydrogen 2.662 N/A LEU 427.A N ALA 424.A O no hydrogen 3.289 N/A SER 428.A N GLU 431.A OE1 no hydrogen 2.830 N/A GLU 431.A N SER 428.A OG no hydrogen 3.066 N/A ALA 432.A N SER 428.A O no hydrogen 3.401 N/A GLN 433.A N GLY 429.A O no hydrogen 3.047 N/A ARG 434.A N GLY 430.A O no hydrogen 2.873 N/A ARG 434.A NE VAL 413.A O no hydrogen 3.029 N/A ILE 435.A N GLU 431.A O no hydrogen 2.771 N/A ARG 436.A N ALA 432.A O no hydrogen 3.041 N/A ARG 436.A NH1 SER 82.A O no hydrogen 3.289 N/A LEU 437.A N GLN 433.A O no hydrogen 3.081 N/A ALA 438.A N ARG 434.A O no hydrogen 2.959 N/A THR 439.A N ILE 435.A O no hydrogen 2.934 N/A THR 439.A OG1 VAL 99.A O no hydrogen 3.566 N/A THR 439.A OG1 ILE 435.A O no hydrogen 3.048 N/A GLN 440.A N ARG 436.A O no hydrogen 2.977 N/A ILE 441.A N LEU 437.A O no hydrogen 2.882 N/A GLY 442.A N ALA 438.A O no hydrogen 3.309 N/A SER 443.A N GLN 440.A O no hydrogen 2.772 N/A SER 443.A OG THR 439.A O no hydrogen 3.512 N/A SER 443.A OG GLN 440.A O no hydrogen 3.156 N/A SER 443.A OG GLN 440.A OE1 no hydrogen 3.558 N/A GLY 447.A N GLY 477.A O no hydrogen 2.739 N/A VAL 448.A N ASN 478.A OD1 no hydrogen 2.641 N/A LEU 449.A N PRO 79.A O no hydrogen 3.209 N/A TYR 450.A N THR 479.A O no hydrogen 2.992 N/A TYR 450.A OH GLN 440.A OE1 no hydrogen 3.263 N/A VAL 451.A N ILE 81.A O no hydrogen 3.017 N/A ASP 453.A N ILE 83.A O no hydrogen 3.130 N/A GLU 454.A N VAL 483.A O no hydrogen 2.873 N/A SER 456.A N GLU 484.A OE1 no hydrogen 2.977 N/A SER 456.A OG GLU 484.A OE1 no hydrogen 2.663 N/A SER 456.A OG GLU 484.A OE2 no hydrogen 2.758 N/A ILE 457.A N GLU 454.A O no hydrogen 3.199 N/A GLY 458.A N GLU 790.A OE1 no hydrogen 3.108 N/A HIS 460.A NE2 THR 864.A OG1 no hydrogen 3.150 N/A ARG 462.A N HIS 460.A ND1 no hydrogen 3.263 N/A ARG 462.A NH1 GLU 839.A OE2 no hydrogen 2.536 N/A ARG 462.A NH2 ASP 463.A OD2 no hydrogen 3.529 N/A ASN 464.A N GLN 461.A O no hydrogen 3.264 N/A ILE 468.A N ASN 464.A O no hydrogen 2.907 N/A ALA 469.A N ASP 465.A O no hydrogen 2.741 N/A THR 470.A N ARG 466.A O no hydrogen 2.808 N/A THR 470.A OG1 ARG 466.A O no hydrogen 3.010 N/A THR 470.A OG1 LEU 467.A O no hydrogen 3.131 N/A LEU 471.A N LEU 467.A O no hydrogen 2.930 N/A LYS 472.A N ILE 468.A O no hydrogen 3.234 N/A SER 473.A N ALA 469.A O no hydrogen 3.227 N/A SER 473.A OG ALA 469.A O no hydrogen 2.852 N/A ARG 474.A NH1 ASP 493.A OD2 no hydrogen 3.426 N/A ARG 474.A NH2 ASP 475.A OD2 no hydrogen 3.398 N/A ASP 475.A N LYS 472.A O no hydrogen 2.565 N/A ASN 478.A N ARG 474.A O no hydrogen 3.235 N/A ASN 478.A ND2 LEU 445.A O no hydrogen 2.708 N/A THR 479.A N VAL 448.A O no hydrogen 3.048 N/A LEU 480.A N LYS 24.A O no hydrogen 3.226 N/A ILE 481.A N TYR 450.A O no hydrogen 2.961 N/A VAL 482.A N VAL 26.A O no hydrogen 2.850 N/A VAL 483.A N LEU 452.A O no hydrogen 3.073 N/A GLU 484.A N LEU 28.A O no hydrogen 3.224 N/A HIS 485.A N GLU 484.A OE2 no hydrogen 3.270 N/A ALA 491.A N ASP 488.A O no hydrogen 2.664 N/A ASP 493.A N LEU 25.A O no hydrogen 2.986 N/A TYR 494.A N LEU 25.A O no hydrogen 3.458 N/A LEU 495.A N GLY 513.A O no hydrogen 2.792 N/A ILE 496.A N VAL 27.A O no hydrogen 3.116 N/A ASP 497.A N ALA 511.A O no hydrogen 2.831 N/A ILE 498.A N THR 29.A O no hydrogen 2.712 N/A GLY 499.A N GLU 508.A O no hydrogen 2.331 N/A GLY 503.A N GLY 33.A O no hydrogen 2.907 N/A HIS 505.A N ALA 502.A O no hydrogen 3.097 N/A GLY 506.A N GLY 503.A O no hydrogen 3.093 N/A GLY 507.A N SER 34.A O no hydrogen 2.927 N/A VAL 510.A N ASP 497.A O no hydrogen 3.063 N/A GLY 513.A N LEU 495.A O no hydrogen 3.300 N/A THR 514.A N GLU 517.A OE1 no hydrogen 2.874 N/A GLU 516.A N THR 514.A OG1 no hydrogen 3.166 N/A GLU 517.A N THR 514.A OG1 no hydrogen 3.019 N/A VAL 518.A N THR 514.A O no hydrogen 2.984 N/A ASN 522.A N ASP 520.A OD2 no hydrogen 2.969 N/A SER 523.A N ASP 520.A O no hydrogen 2.992 N/A SER 523.A OG ASP 497.A OD1 no hydrogen 2.787 N/A THR 525.A N ASP 497.A OD1 no hydrogen 3.503 N/A THR 525.A OG1 ASP 497.A OD2 no hydrogen 2.535 N/A THR 525.A OG1 HIS 796.A NE2 no hydrogen 2.990 N/A GLY 526.A N SER 523.A OG no hydrogen 3.074 N/A GLN 527.A N SER 523.A O no hydrogen 3.275 N/A GLN 527.A NE2 PRO 521.A O no hydrogen 2.813 N/A TYR 528.A N THR 525.A O no hydrogen 2.954 N/A TYR 528.A OH ASP 798.A OD1 no hydrogen 2.416 N/A LEU 529.A N THR 525.A O no hydrogen 3.104 N/A SER 530.A N GLY 526.A O no hydrogen 2.725 N/A SER 530.A OG GLY 526.A O no hydrogen 2.834 N/A SER 530.A OG GLN 527.A O no hydrogen 3.374 N/A GLY 531.A N GLN 527.A O no hydrogen 3.264 N/A LYS 533.A N GLN 527.A O no hydrogen 2.886 N/A ARG 541.A N GLU 540.A OE2 no hydrogen 3.124 N/A ARG 541.A NE GLU 854.A OE1 no hydrogen 3.360 N/A ARG 541.A NE GLU 854.A OE2 no hydrogen 3.330 N/A ARG 541.A NH1 GLU 854.A OE2 no hydrogen 3.419 N/A ARG 542.A NH1 HIS 808.A ND1 no hydrogen 2.991 N/A ARG 542.A NH1 ASP 831.A OD1 no hydrogen 3.069 N/A ARG 542.A NH2 ASP 812.A OD1 no hydrogen 2.784 N/A ARG 547.A N ASP 545.A OD1 no hydrogen 2.999 N/A LEU 549.A N ILE 566.A O no hydrogen 2.679 N/A GLU 550.A N ARG 612.A O no hydrogen 3.134 N/A VAL 551.A N VAL 564.A O no hydrogen 2.846 N/A VAL 552.A N ASP 610.A O no hydrogen 2.787 N/A ALA 554.A N VAL 562.A O no hydrogen 2.761 N/A ARG 555.A N GLU 607.A O no hydrogen 2.991 N/A ASN 558.A ND2 GLY 579.A O no hydrogen 2.958 N/A ASN 558.A ND2 GLY 841.A O no hydrogen 2.475 N/A LYS 560.A N GLY 845.A O no hydrogen 2.648 N/A LYS 560.A NZ ASP 842.A O no hydrogen 2.752 N/A LYS 560.A NZ GLY 844.A O no hydrogen 3.173 N/A VAL 562.A N ALA 554.A O no hydrogen 2.895 N/A SER 563.A OG VAL 551.A O no hydrogen 3.289 N/A VAL 564.A N VAL 551.A O no hydrogen 2.915 N/A ILE 566.A N LEU 549.A O no hydrogen 2.701 N/A LEU 568.A N ARG 547.A O no hydrogen 3.108 N/A GLY 569.A N THR 816.A OG1 no hydrogen 2.707 N/A THR 570.A OG1 ASP 831.A OD1 no hydrogen 3.371 N/A PHE 571.A N ASP 831.A OD1 no hydrogen 3.357 N/A VAL 572.A N VAL 817.A O no hydrogen 2.848 N/A ALA 573.A N TYR 832.A O no hydrogen 3.025 N/A VAL 574.A N VAL 819.A O no hydrogen 2.754 N/A THR 575.A N ILE 834.A O no hydrogen 3.212 N/A THR 575.A OG1 ASP 835.A OD2 no hydrogen 3.396 N/A THR 575.A OG1 THR 864.A OG1 no hydrogen 2.844 N/A SER 580.A N VAL 577.A O no hydrogen 3.054 N/A SER 580.A OG VAL 577.A O no hydrogen 2.622 N/A LYS 582.A NZ GLY 576.A O no hydrogen 2.882 N/A LYS 582.A NZ VAL 577.A O no hydrogen 3.124 N/A LEU 585.A N GLY 581.A O no hydrogen 2.899 N/A VAL 586.A N LYS 582.A O no hydrogen 2.801 N/A ASN 587.A N SER 583.A O no hydrogen 2.654 N/A GLU 588.A N SER 583.A O no hydrogen 3.258 N/A VAL 589.A N THR 584.A O no hydrogen 2.841 N/A LEU 590.A N LEU 585.A O no hydrogen 3.034 N/A TYR 591.A N VAL 586.A O no hydrogen 3.175 N/A LYS 592.A NZ GLU 588.A OE1 no hydrogen 2.969 N/A ALA 593.A N VAL 589.A O no hydrogen 3.114 N/A LEU 594.A N LEU 590.A O no hydrogen 3.008 N/A ALA 595.A N TYR 591.A O no hydrogen 2.781 N/A GLN 596.A N LYS 592.A O no hydrogen 3.136 N/A LYS 597.A N ALA 593.A O no hydrogen 3.284 N/A LEU 598.A N LEU 594.A O no hydrogen 2.812 N/A HIS 599.A N ALA 595.A O no hydrogen 2.986 N/A ALA 601.A N ALA 595.A O no hydrogen 3.080 N/A GLY 606.A N GLU 588.A O no hydrogen 2.632 N/A GLU 607.A N GLU 556.A OE1 no hydrogen 2.563 N/A ARG 609.A N VAL 552.A O no hydrogen 2.831 N/A ASP 610.A N VAL 552.A O no hydrogen 3.303 N/A ARG 612.A N GLU 550.A O no hydrogen 3.187 N/A GLU 615.A N GLU 615.A OE1 no hydrogen 2.811 N/A HIS 616.A N GLY 613.A O no hydrogen 3.175 N/A ASP 618.A N ARG 783.A O no hydrogen 2.648 N/A ILE 621.A N LEU 785.A O no hydrogen 3.040 N/A ILE 623.A N ILE 787.A O no hydrogen 2.990 N/A ASP 624.A N ASP 622.A O no hydrogen 2.969 N/A GLN 625.A N ASP 624.A OD1 no hydrogen 2.530 N/A SER 626.A OG ASP 624.A OD2 no hydrogen 2.681 N/A ARG 633.A N THR 631.A OG1 no hydrogen 3.281 N/A ARG 633.A NH1 ASP 681.A OD2 no hydrogen 3.410 N/A SER 634.A N THR 631.A O no hydrogen 3.477 N/A ALA 637.A N LEU 755.A O no hydrogen 3.179 N/A THR 638.A N ASN 635.A OD1 no hydrogen 3.083 N/A THR 638.A OG1 ARG 633.A O no hydrogen 3.537 N/A TYR 639.A N ASN 635.A O no hydrogen 3.165 N/A THR 640.A N PRO 636.A O no hydrogen 3.121 N/A THR 640.A OG1 PRO 636.A O no hydrogen 3.002 N/A THR 640.A OG1 ALA 637.A O no hydrogen 3.269 N/A GLY 641.A N ALA 637.A O no hydrogen 3.186 N/A PHE 643.A N ALA 637.A O no hydrogen 3.047 N/A ASP 644.A N GLY 641.A O no hydrogen 3.046 N/A ILE 646.A N VAL 642.A O no hydrogen 2.817 N/A ARG 647.A N ASP 644.A O no hydrogen 3.423 N/A ARG 647.A NE LYS 663.A O no hydrogen 3.399 N/A ARG 647.A NH1 LYS 663.A O no hydrogen 3.336 N/A ASP 648.A N ASP 645.A O no hydrogen 3.071 N/A ALA 651.A N ARG 647.A O no hydrogen 2.828 N/A SER 652.A N VAL 649.A O no hydrogen 3.255 N/A SER 652.A OG ASP 648.A O no hydrogen 2.619 N/A THR 653.A N PHE 650.A O no hydrogen 3.312 N/A THR 653.A OG1 THR 713.A O no hydrogen 3.448 N/A LYS 657.A N THR 653.A O no hydrogen 3.042 N/A VAL 658.A N ASN 654.A O no hydrogen 3.509 N/A ARG 659.A N GLU 655.A O no hydrogen 3.106 N/A ARG 659.A NH1 TYR 661.A OH no hydrogen 3.419 N/A ARG 659.A NH2 GLU 711.A OE1 no hydrogen 3.412 N/A GLY 660.A N LYS 657.A O no hydrogen 3.097 N/A TYR 661.A N ALA 656.A O no hydrogen 2.908 N/A LYS 663.A NZ ASP 644.A OD2 no hydrogen 2.706 N/A GLY 664.A N LYS 662.A O no hydrogen 2.575 N/A ARG 665.A N LYS 662.A O no hydrogen 3.268 N/A SER 667.A N GLY 664.A O no hydrogen 2.975 N/A ARG 674.A NE ASN 669.A O no hydrogen 3.393 N/A CYS 675.A N ARG 704.A O no hydrogen 3.066 N/A CYS 678.A SG CYS 675.A O no hydrogen 3.858 N/A GLY 680.A N CYS 675.A O no hydrogen 3.131 N/A ASP 681.A N CYS 678.A O no hydrogen 3.149 N/A ILE 684.A N VAL 695.A O no hydrogen 2.644 N/A ILE 686.A N VAL 693.A O no hydrogen 2.903 N/A VAL 695.A N ILE 684.A O no hydrogen 2.756 N/A CYS 697.A N GLY 682.A O no hydrogen 2.797 N/A CYS 697.A SG GLU 698.A OE1 no hydrogen 3.827 N/A LYS 703.A N CYS 700.A O no hydrogen 2.856 N/A TYR 705.A OH PHE 666.A O no hydrogen 2.467 N/A ASN 706.A N GLY 673.A O no hydrogen 3.261 N/A THR 709.A N ASN 706.A OD1 no hydrogen 2.794 N/A THR 709.A OG1 GLY 673.A O no hydrogen 2.682 N/A THR 709.A OG1 ASN 706.A OD1 no hydrogen 2.687 N/A LEU 710.A N ASN 706.A O no hydrogen 3.474 N/A GLU 711.A N GLU 708.A O no hydrogen 3.345 N/A TYR 714.A N LYS 717.A O no hydrogen 2.926 N/A LYS 715.A NZ SER 735.A OG no hydrogen 3.346 N/A LYS 717.A N TYR 714.A O no hydrogen 3.161 N/A ASN 718.A N GLU 721.A OE2 no hydrogen 3.271 N/A ASN 718.A ND2 LEU 710.A O no hydrogen 3.165 N/A GLU 721.A N ASN 718.A OD1 no hydrogen 2.757 N/A VAL 722.A N ASN 718.A O no hydrogen 2.913 N/A LEU 723.A N ILE 719.A O no hydrogen 2.831 N/A ASP 724.A N GLU 721.A O no hydrogen 3.218 N/A GLU 727.A N GLY 752.A O no hydrogen 3.035 N/A ALA 729.A N THR 725.A O no hydrogen 2.661 N/A LEU 730.A N VAL 726.A O no hydrogen 3.174 N/A ASP 731.A N GLU 727.A O no hydrogen 3.433 N/A PHE 732.A N ASP 728.A O no hydrogen 3.004 N/A PHE 733.A N ALA 729.A O no hydrogen 2.714 N/A LYS 740.A N ILE 736.A O no hydrogen 3.020 N/A ARG 741.A N PRO 737.A O no hydrogen 2.851 N/A LYS 742.A N ILE 739.A O no hydrogen 3.316 N/A LYS 742.A NZ ASP 645.A OD1 no hydrogen 2.753 N/A LYS 742.A NZ ASP 645.A OD2 no hydrogen 3.133 N/A LEU 743.A N ILE 739.A O no hydrogen 3.249 N/A GLU 744.A N LYS 740.A O no hydrogen 2.934 N/A THR 745.A N LYS 742.A O no hydrogen 2.971 N/A THR 745.A OG1 LYS 742.A O no hydrogen 2.418 N/A THR 745.A OG1 ALA 773.A O no hydrogen 3.425 N/A TYR 747.A N LEU 743.A O no hydrogen 3.194 N/A ASP 748.A N GLU 744.A O no hydrogen 2.790 N/A VAL 749.A N THR 745.A O no hydrogen 2.740 N/A GLY 750.A N TYR 747.A O no hydrogen 3.187 N/A TYR 753.A OH SER 32.A OG no hydrogen 3.087 N/A TYR 753.A OH GLU 766.A OE2 no hydrogen 2.987 N/A LYS 754.A NZ ASP 724.A OD1 no hydrogen 3.024 N/A GLY 756.A N LEU 723.A O no hydrogen 2.761 N/A GLN 757.A N LYS 754.A O no hydrogen 3.118 N/A ALA 759.A N SER 634.A O no hydrogen 3.011 N/A THR 761.A N PRO 758.A O no hydrogen 2.861 N/A THR 761.A OG1 PRO 758.A O no hydrogen 2.706 N/A LEU 762.A N ALA 759.A O no hydrogen 3.146 N/A SER 763.A N GLU 766.A OE1 no hydrogen 3.267 N/A GLY 765.A N SER 763.A OG no hydrogen 3.267 N/A ALA 767.A N SER 763.A O no hydrogen 2.839 N/A GLN 768.A N GLY 764.A O no hydrogen 3.047 N/A GLN 768.A NE2 ILE 623.A O no hydrogen 3.082 N/A GLN 768.A NE2 ASP 789.A O no hydrogen 3.527 N/A ARG 769.A N GLY 765.A O no hydrogen 3.070 N/A VAL 770.A N GLU 766.A O no hydrogen 2.923 N/A LYS 771.A N ALA 767.A O no hydrogen 3.076 N/A LYS 771.A NZ ASP 624.A O no hydrogen 3.257 N/A LYS 771.A NZ SER 626.A O no hydrogen 2.645 N/A LYS 771.A NZ SER 626.A OG no hydrogen 2.662 N/A LEU 772.A N GLN 768.A O no hydrogen 2.858 N/A ALA 773.A N ARG 769.A O no hydrogen 2.956 N/A ALA 774.A N LYS 771.A O no hydrogen 3.053 N/A GLU 775.A N LYS 771.A O no hydrogen 3.425 N/A LEU 776.A N LEU 772.A O no hydrogen 2.537 N/A ASN 781.A ND2 ASP 618.A OD1 no hydrogen 2.922 N/A ARG 783.A N ASN 781.A OD1 no hydrogen 3.132 N/A THR 784.A OG1 LYS 619.A O no hydrogen 3.336 N/A LEU 785.A N LYS 619.A O no hydrogen 2.936 N/A TYR 786.A N THR 816.A O no hydrogen 2.745 N/A ILE 787.A N ILE 621.A O no hydrogen 3.053 N/A LEU 788.A N LEU 818.A O no hydrogen 3.007 N/A GLU 790.A N ILE 820.A O no hydrogen 3.159 N/A THR 792.A N GLU 821.A OE2 no hydrogen 3.160 N/A THR 792.A OG1 GLU 821.A OE2 no hydrogen 2.613 N/A THR 793.A N GLU 790.A O no hydrogen 2.991 N/A GLY 794.A N GLU 454.A OE2 no hydrogen 3.227 N/A HIS 796.A NE2 THR 525.A OG1 no hydrogen 2.990 N/A ASP 798.A N HIS 796.A ND1 no hydrogen 3.255 N/A ILE 800.A N HIS 796.A O no hydrogen 3.132 N/A ALA 801.A N VAL 797.A O no hydrogen 3.327 N/A ARG 802.A NE ASP 798.A O no hydrogen 3.534 N/A LEU 803.A N ASP 799.A O no hydrogen 3.118 N/A LEU 804.A N ILE 800.A O no hydrogen 2.775 N/A ASP 805.A N ALA 801.A O no hydrogen 3.115 N/A VAL 806.A N ARG 802.A O no hydrogen 3.232 N/A LEU 807.A N LEU 803.A O no hydrogen 2.829 N/A HIS 808.A N LEU 804.A O no hydrogen 2.922 N/A ARG 809.A N ASP 805.A O no hydrogen 3.037 N/A ARG 809.A N VAL 806.A O no hydrogen 3.203 N/A LEU 810.A N VAL 806.A O no hydrogen 3.389 N/A LEU 810.A N LEU 807.A O no hydrogen 2.972 N/A VAL 811.A N LEU 807.A O no hydrogen 3.253 N/A ASP 812.A N HIS 808.A O no hydrogen 3.000 N/A ASN 813.A N ARG 809.A O no hydrogen 3.205 N/A GLY 814.A N VAL 811.A O no hydrogen 3.053 N/A ASP 815.A N LEU 810.A O no hydrogen 3.193 N/A THR 816.A N THR 784.A O no hydrogen 3.198 N/A LEU 818.A N TYR 786.A O no hydrogen 2.880 N/A VAL 819.A N VAL 572.A O no hydrogen 2.930 N/A ILE 820.A N LEU 788.A O no hydrogen 3.214 N/A HIS 822.A N GLU 821.A OE1 no hydrogen 2.771 N/A ASN 823.A N GLU 821.A OE1 no hydrogen 2.811 N/A ASP 825.A N ASN 823.A OD1 no hydrogen 3.184 N/A VAL 826.A N ASN 823.A O no hydrogen 2.951 N/A ILE 827.A N ASN 823.A O no hydrogen 3.085 N/A LYS 828.A N LEU 824.A O no hydrogen 2.900 N/A LYS 828.A NZ ILE 535.A O no hydrogen 2.999 N/A LYS 828.A NZ ASP 875.A OD2 no hydrogen 2.243 N/A THR 829.A N VAL 826.A O no hydrogen 3.214 N/A THR 829.A OG1 ASP 825.A O no hydrogen 2.918 N/A ALA 830.A N VAL 826.A O no hydrogen 3.193 N/A ALA 830.A N ILE 827.A O no hydrogen 3.181 N/A ASP 831.A N PHE 571.A O no hydrogen 3.104 N/A TYR 832.A N PHE 571.A O no hydrogen 3.345 N/A ILE 833.A N GLY 851.A O no hydrogen 2.561 N/A ILE 834.A N ALA 573.A O no hydrogen 2.980 N/A ASP 835.A N ALA 849.A O no hydrogen 2.929 N/A LEU 836.A N THR 575.A O no hydrogen 2.757 N/A GLY 841.A N GLY 579.A O no hydrogen 3.305 N/A VAL 848.A N ASP 835.A O no hydrogen 3.320 N/A THR 852.A N GLU 855.A OE1 no hydrogen 2.839 N/A THR 852.A OG1 ASP 831.A O no hydrogen 3.232 N/A GLU 854.A N GLU 854.A OE1 no hydrogen 2.763 N/A VAL 856.A N THR 852.A O no hydrogen 3.066 N/A ALA 857.A N PRO 853.A O no hydrogen 2.903 N/A GLU 858.A N GLU 854.A O no hydrogen 3.062 N/A VAL 859.A N VAL 856.A O no hydrogen 3.206 N/A SER 862.A N VAL 859.A O no hydrogen 3.495 N/A SER 862.A OG ASP 835.A OD1 no hydrogen 2.662 N/A HIS 863.A NE2 GLU 839.A OE1 no hydrogen 2.958 N/A THR 864.A OG1 HIS 460.A NE2 no hydrogen 3.150 N/A THR 864.A OG1 THR 575.A OG1 no hydrogen 2.844 N/A THR 864.A OG1 ASP 835.A OD2 no hydrogen 2.495 N/A GLY 865.A N SER 862.A OG no hydrogen 3.156 N/A ARG 866.A N SER 862.A O no hydrogen 2.901 N/A ARG 866.A NH2 HIS 863.A ND1 no hydrogen 3.356 N/A TYR 867.A N HIS 863.A O no hydrogen 3.138 N/A LEU 868.A N THR 864.A O no hydrogen 2.824 N/A LEU 868.A N GLY 865.A O no hydrogen 2.920 N/A LYS 869.A N GLY 865.A O no hydrogen 2.617 N/A LEU 872.A N LEU 868.A O no hydrogen 3.041 N/A GLU 873.A N LYS 869.A O no hydrogen 3.271 N/A ARG 874.A N PRO 870.A O no hydrogen 2.846 N/A ARG 874.A NE ASP 875.A OD1 no hydrogen 3.331 N/A ARG 874.A NH1 ASP 875.A OD1 no hydrogen 3.515 N/A ARG 874.A NH2 GLU 487.A OE1 no hydrogen 3.229 N/A ARG 874.A NH2 GLU 487.A OE2 no hydrogen 3.553 N/A ASP 875.A N ILE 871.A O no hydrogen 3.021 N/A ARG 876.A N LEU 872.A O no hydrogen 3.027 N/A ALA 877.A N ARG 874.A O no hydrogen 3.277 N/A ARG 878.A N ARG 874.A O no hydrogen 3.105 N/A ALA 880.A N ALA 877.A O no hydrogen 2.798 N/A ARG 881.A N ARG 878.A O no hydrogen 3.103 N/A GLU 883.A N GLN 879.A O no hydrogen 3.000 N/A ALA 884.A N ARG 881.A O no hydrogen 3.385 N/A