Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2f8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PHE 605.A O no hydrogen 2.879 N/A LEU 5.A N GLU 308.A O no hydrogen 2.807 N/A ASN 6.A ND2 LEU 155.A O no hydrogen 2.832 N/A LEU 7.A N LEU 5.A O no hydrogen 2.686 N/A TYR 8.A N LEU 153.A O no hydrogen 2.881 N/A TYR 8.A OH GLU 307.A OE2 no hydrogen 2.581 N/A ARG 9.A NE GLU 308.A OE2 no hydrogen 2.887 N/A ARG 9.A NH2 GLU 308.A OE2 no hydrogen 2.968 N/A ILE 10.A N PHE 151.A O no hydrogen 3.076 N/A GLU 11.A N TYR 302.A O no hydrogen 2.913 N/A ARG 13.A N GLY 300.A O no hydrogen 2.775 N/A ARG 13.A NE GLU 11.A OE1 no hydrogen 2.644 N/A ARG 13.A NH2 GLU 11.A OE1 no hydrogen 3.132 N/A THR 17.A OG1 PRO 14.A O no hydrogen 3.411 N/A THR 18.A N ASP 16.A OD1 no hydrogen 3.218 N/A THR 18.A OG1 ASP 16.A OD1 no hydrogen 2.793 N/A THR 18.A OG1 GLU 85.A OE2 no hydrogen 3.157 N/A PHE 19.A N GLU 84.A O no hydrogen 3.058 N/A THR 20.A N CYS 57.A O no hydrogen 2.971 N/A THR 20.A OG1 GLY 59.A O no hydrogen 2.928 N/A THR 20.A OG1 GLU 83.A OE2 no hydrogen 3.464 N/A VAL 21.A N GLY 82.A O no hydrogen 3.330 N/A PHE 22.A N PHE 55.A O no hydrogen 3.015 N/A LYS 23.A N LYS 79.A O no hydrogen 2.626 N/A LYS 23.A NZ PRO 24.A O no hydrogen 3.415 N/A THR 25.A N GLU 77.A O no hydrogen 3.296 N/A THR 25.A OG1 GLU 77.A OE1 no hydrogen 3.440 N/A LYS 32.A N GLN 29.A O no hydrogen 2.939 N/A LYS 32.A NZ GLU 74.A OE1 no hydrogen 2.826 N/A LYS 32.A NZ GLU 74.A OE2 no hydrogen 2.857 N/A LEU 33.A N LYS 30.A O no hydrogen 2.920 N/A VAL 36.A N LYS 32.A O no hydrogen 3.232 N/A ARG 37.A N LEU 33.A O no hydrogen 2.991 N/A ARG 37.A NH1 THR 48.A O no hydrogen 3.102 N/A ARG 37.A NH1 ASP 101.A OD1 no hydrogen 3.205 N/A ARG 37.A NH1 ASP 101.A OD2 no hydrogen 3.232 N/A ARG 37.A NH2 ASP 101.A OD1 no hydrogen 3.324 N/A TRP 38.A N ASN 34.A O no hydrogen 3.166 N/A ARG 39.A N LYS 35.A O no hydrogen 3.157 N/A ARG 39.A NE THR 69.A O no hydrogen 3.165 N/A ARG 39.A NH1 LYS 35.A O no hydrogen 2.949 N/A VAL 40.A N VAL 36.A O no hydrogen 2.684 N/A PHE 41.A N ARG 37.A O no hydrogen 2.968 N/A LEU 42.A N TRP 38.A O no hydrogen 3.197 N/A GLN 43.A N ARG 39.A O no hydrogen 3.274 N/A GLN 43.A NE2 TYR 67.A O no hydrogen 2.578 N/A THR 44.A N VAL 40.A O no hydrogen 3.039 N/A THR 44.A OG1 VAL 40.A O no hydrogen 2.991 N/A GLY 45.A N PHE 41.A O no hydrogen 2.660 N/A THR 48.A OG1 LEU 46.A O no hydrogen 2.800 N/A PHE 49.A N TRP 56.A O no hydrogen 3.188 N/A ARG 50.A N GLU 97.A OE1 no hydrogen 2.962 N/A ARG 51.A N GLU 54.A O no hydrogen 2.802 N/A ARG 51.A NE GLU 94.A OE2 no hydrogen 2.726 N/A ARG 51.A NH2 GLY 88.A O no hydrogen 2.958 N/A ARG 51.A NH2 GLU 94.A OE1 no hydrogen 2.481 N/A ARG 51.A NH2 GLU 94.A OE2 no hydrogen 3.250 N/A ASP 53.A N ASP 53.A OD1 no hydrogen 2.469 N/A GLU 54.A N ARG 51.A O no hydrogen 2.929 N/A PHE 55.A N PHE 22.A O no hydrogen 2.907 N/A TRP 56.A N PHE 49.A O no hydrogen 2.918 N/A CYS 57.A N THR 20.A O no hydrogen 2.738 N/A ALA 58.A N PRO 47.A O no hydrogen 2.997 N/A GLY 59.A N CYS 57.A O no hydrogen 2.445 N/A THR 65.A OG1 ASP 64.A OD2 no hydrogen 3.520 N/A LEU 66.A N LEU 78.A O no hydrogen 3.276 N/A TYR 67.A OH GLU 77.A OE2 no hydrogen 3.201 N/A LEU 68.A N VAL 76.A O no hydrogen 3.050 N/A LEU 70.A N GLU 74.A O no hydrogen 2.774 N/A SER 71.A OG ASN 72.A OD1 no hydrogen 3.503 N/A GLY 73.A N LEU 70.A O no hydrogen 2.951 N/A VAL 76.A N LEU 68.A O no hydrogen 3.045 N/A LEU 78.A N LEU 66.A O no hydrogen 3.083 N/A LYS 79.A N LYS 23.A O no hydrogen 2.803 N/A ARG 80.A N ASP 64.A O no hydrogen 3.203 N/A ARG 80.A NE VAL 61.A O no hydrogen 2.734 N/A ARG 80.A NH2 VAL 61.A O no hydrogen 2.868 N/A VAL 81.A N VAL 21.A O no hydrogen 2.879 N/A GLU 84.A N PHE 19.A O no hydrogen 3.093 N/A PHE 86.A N THR 17.A O no hydrogen 2.744 N/A GLN 90.A N GLU 94.A OE1 no hydrogen 2.675 N/A ARG 93.A NH1 ARG 50.A O no hydrogen 2.855 N/A ARG 93.A NH1 GLU 97.A OE1 no hydrogen 3.556 N/A ARG 93.A NH1 GLU 97.A OE2 no hydrogen 3.171 N/A ARG 93.A NH2 ARG 50.A O no hydrogen 3.429 N/A GLU 94.A N ASN 91.A OD1 no hydrogen 3.159 N/A CYS 95.A N ASN 91.A O no hydrogen 3.178 N/A GLN 96.A N GLU 92.A O no hydrogen 2.648 N/A GLN 96.A NE2 VAL 143.A O no hydrogen 3.570 N/A GLU 97.A N ARG 93.A O no hydrogen 3.124 N/A LEU 98.A N GLU 94.A O no hydrogen 3.141 N/A PHE 99.A N CYS 95.A O no hydrogen 3.017 N/A ARG 100.A N GLN 96.A O no hydrogen 2.989 N/A ARG 100.A NE GLU 141.A O no hydrogen 3.080 N/A ARG 100.A NH2 GLU 141.A O no hydrogen 2.798 N/A ASP 101.A N GLU 97.A O no hydrogen 3.052 N/A PHE 102.A N LEU 98.A O no hydrogen 3.007 N/A LEU 103.A N PHE 99.A O no hydrogen 3.097 N/A THR 104.A N ARG 100.A O no hydrogen 2.998 N/A THR 104.A OG1 ARG 100.A O no hydrogen 3.467 N/A LYS 105.A N ASP 101.A O no hydrogen 2.779 N/A THR 106.A N PHE 102.A O no hydrogen 3.102 N/A THR 106.A N LEU 103.A O no hydrogen 3.099 N/A THR 106.A OG1 PHE 102.A O no hydrogen 3.053 N/A THR 106.A OG1 LEU 103.A O no hydrogen 3.338 N/A LYS 107.A N LEU 103.A O no hydrogen 2.812 N/A LYS 109.A NZ VAL 139.A O no hydrogen 2.626 N/A LYS 109.A NZ GLU 141.A OE1 no hydrogen 3.185 N/A LYS 109.A NZ GLU 141.A OE2 no hydrogen 2.366 N/A LYS 111.A N LYS 107.A O no hydrogen 2.684 N/A PHE 112.A N VAL 108.A O no hydrogen 2.640 N/A ILE 113.A N LYS 109.A O no hydrogen 2.988 N/A SER 114.A N ASP 110.A O no hydrogen 3.130 N/A SER 114.A OG ASP 110.A O no hydrogen 3.462 N/A ASP 115.A N LYS 111.A O no hydrogen 3.037 N/A PHE 116.A N PHE 112.A O no hydrogen 3.007 N/A TYR 117.A N ILE 113.A O no hydrogen 3.284 N/A LYS 118.A N SER 114.A O no hydrogen 2.946 N/A LYS 119.A N ASP 115.A O no hydrogen 3.003 N/A PHE 120.A N PHE 116.A O no hydrogen 2.811 N/A ARG 121.A N TYR 117.A O no hydrogen 2.752 N/A ILE 124.A N ARG 121.A O no hydrogen 3.174 N/A THR 125.A N ASP 122.A O no hydrogen 3.420 N/A THR 125.A OG1 ARG 121.A O no hydrogen 3.195 N/A VAL 126.A N ILE 133.A O no hydrogen 2.735 N/A ARG 131.A NE GLU 165.A OE1 no hydrogen 2.809 N/A ARG 131.A NH2 GLU 165.A OE1 no hydrogen 2.997 N/A ILE 133.A N VAL 126.A O no hydrogen 2.911 N/A ALA 134.A N GLN 162.A O no hydrogen 2.857 N/A LEU 135.A N ILE 124.A O no hydrogen 3.303 N/A ILE 136.A N ARG 160.A O no hydrogen 2.766 N/A GLU 138.A N LYS 158.A O no hydrogen 2.784 N/A ASN 140.A N ASP 156.A O no hydrogen 3.248 N/A LYS 142.A N HIS 154.A O no hydrogen 3.053 N/A LEU 144.A N LEU 152.A O no hydrogen 3.004 N/A SER 146.A N TYR 150.A O no hydrogen 2.984 N/A SER 146.A OG GLU 148.A OE1 no hydrogen 3.147 N/A SER 146.A OG TYR 150.A O no hydrogen 3.543 N/A GLU 147.A N LYS 617.A O no hydrogen 3.151 N/A GLY 149.A N SER 146.A O no hydrogen 3.142 N/A TYR 150.A N SER 146.A OG no hydrogen 3.140 N/A LEU 152.A N LEU 144.A O no hydrogen 2.534 N/A LEU 153.A N TYR 8.A O no hydrogen 2.583 N/A HIS 154.A N LYS 142.A O no hydrogen 2.680 N/A HIS 154.A NE2 ASN 600.A O no hydrogen 3.099 N/A LEU 155.A N ASN 6.A O no hydrogen 3.236 N/A ASP 156.A N ASN 140.A O no hydrogen 3.058 N/A LEU 157.A N ASP 156.A OD1 no hydrogen 2.377 N/A LYS 158.A N GLU 138.A O no hydrogen 2.878 N/A ARG 160.A N ILE 136.A O no hydrogen 3.063 N/A ARG 160.A NE GLN 162.A OE1 no hydrogen 2.975 N/A ARG 160.A NH1 GLU 138.A OE2 no hydrogen 3.354 N/A GLN 162.A N ALA 134.A O no hydrogen 2.958 N/A GLN 162.A NE2 PRO 255.A O no hydrogen 2.705 N/A THR 166.A OG1 THR 251.A O no hydrogen 2.953 N/A LEU 167.A N LEU 253.A O no hydrogen 2.927 N/A LEU 170.A N THR 166.A O no hydrogen 3.293 N/A LEU 171.A N LEU 167.A O no hydrogen 2.848 N/A GLU 172.A N GLN 168.A O no hydrogen 2.816 N/A ARG 173.A N THR 169.A O no hydrogen 2.935 N/A ASN 174.A ND2 TYR 431.A OH no hydrogen 3.402 N/A ASP 175.A N LEU 170.A O no hydrogen 3.052 N/A ILE 181.A N LYS 179.A O no hydrogen 2.601 N/A VAL 183.A N GLY 192.A O no hydrogen 2.949 N/A LYS 184.A N LYS 254.A O no hydrogen 2.886 N/A LYS 184.A NZ PRO 185.A O no hydrogen 3.421 N/A LYS 184.A NZ ILE 188.A O no hydrogen 2.700 N/A ILE 186.A N ILE 252.A O no hydrogen 2.759 N/A ILE 188.A N PRO 185.A O no hydrogen 3.150 N/A GLY 192.A N VAL 183.A O no hydrogen 2.922 N/A GLN 195.A N VAL 241.A O no hydrogen 2.886 N/A PHE 198.A N LEU 239.A O no hydrogen 3.326 N/A ALA 200.A N ALA 237.A O no hydrogen 3.114 N/A LYS 203.A N ALA 200.A O no hydrogen 2.955 N/A ARG 209.A N GLU 205.A O no hydrogen 3.331 N/A LEU 210.A N GLU 206.A O no hydrogen 2.792 N/A CYS 211.A N PHE 207.A O no hydrogen 3.135 N/A CYS 211.A SG PHE 207.A O no hydrogen 3.297 N/A MET 212.A N PHE 208.A O no hydrogen 3.036 N/A GLU 213.A N ARG 209.A O no hydrogen 3.011 N/A ARG 214.A NH1 SER 71.A O no hydrogen 2.707 N/A SER 215.A N CYS 211.A O no hydrogen 3.062 N/A SER 215.A OG CYS 211.A O no hydrogen 3.123 N/A SER 215.A OG MET 212.A O no hydrogen 3.456 N/A SER 219.A OG ILE 186.A O no hydrogen 2.498 N/A SER 220.A OG HIS 217.A O no hydrogen 3.037 N/A LYS 221.A N HIS 217.A O no hydrogen 2.822 N/A LYS 222.A N LYS 218.A O no hydrogen 2.662 N/A ALA 223.A N SER 219.A O no hydrogen 3.105 N/A TRP 224.A N SER 220.A O no hydrogen 3.054 N/A GLU 225.A N LYS 221.A O no hydrogen 3.055 N/A GLU 226.A N LYS 222.A O no hydrogen 2.903 N/A LEU 227.A N ALA 223.A O no hydrogen 3.185 N/A LEU 228.A N TRP 224.A O no hydrogen 2.746 N/A LYS 229.A N GLU 225.A O no hydrogen 2.940 N/A LYS 229.A NZ GLU 225.A OE2 no hydrogen 2.666 N/A ASN 230.A N GLU 226.A O no hydrogen 2.810 N/A LEU 233.A N ASN 230.A O no hydrogen 3.097 N/A ARG 234.A NE LEU 227.A O no hydrogen 3.402 N/A GLU 235.A N GLU 232.A O no hydrogen 3.057 N/A ALA 237.A N LEU 233.A O no hydrogen 2.653 N/A PHE 238.A N GLN 168.A OE1 no hydrogen 3.014 N/A LEU 239.A N PHE 198.A O no hydrogen 2.940 N/A VAL 240.A N TYR 248.A O no hydrogen 2.993 N/A VAL 241.A N ASP 196.A O no hydrogen 3.044 N/A TYR 248.A N VAL 240.A O no hydrogen 2.925 N/A LEU 253.A N ALA 250.A O no hydrogen 2.783 N/A LYS 254.A N LYS 184.A O no hydrogen 3.324 N/A VAL 256.A N ARG 182.A O no hydrogen 3.228 N/A LEU 257.A N ILE 161.A O no hydrogen 3.197 N/A ASN 261.A ND2 SER 433.A O no hydrogen 3.477 N/A LEU 262.A N TYR 259.A O no hydrogen 2.996 N/A LEU 262.A N GLU 260.A O no hydrogen 2.709 N/A ARG 267.A N GLU 263.A O no hydrogen 3.068 N/A ARG 267.A NE GLU 263.A O no hydrogen 3.159 N/A ASN 268.A N ASP 264.A O no hydrogen 3.353 N/A GLU 269.A N GLU 265.A O no hydrogen 3.470 N/A VAL 270.A N GLU 266.A O no hydrogen 2.847 N/A ALA 271.A N ARG 267.A O no hydrogen 2.742 N/A ILE 273.A N VAL 270.A O no hydrogen 2.858 N/A VAL 274.A N VAL 270.A O no hydrogen 3.208 N/A ARG 281.A N GLU 277.A O no hydrogen 3.112 N/A LEU 282.A N PRO 278.A O no hydrogen 2.806 N/A ASN 283.A N GLY 279.A O no hydrogen 2.706 N/A LEU 284.A N LYS 280.A O no hydrogen 2.878 N/A ILE 285.A N ARG 281.A O no hydrogen 2.712 N/A ARG 286.A N LEU 282.A O no hydrogen 2.999 N/A ARG 286.A NE GLU 307.A OE2 no hydrogen 2.725 N/A ARG 286.A NH2 GLU 307.A OE1 no hydrogen 2.596 N/A TYR 287.A N ASN 283.A O no hydrogen 2.943 N/A ILE 288.A N LEU 284.A O no hydrogen 2.778 N/A LEU 289.A N ILE 285.A O no hydrogen 2.926 N/A ARG 290.A N ARG 286.A O no hydrogen 2.989 N/A ARG 291.A N TYR 287.A O no hydrogen 3.232 N/A ARG 291.A NH1 ASP 115.A OD2 no hydrogen 2.287 N/A ARG 291.A NH2 TYR 287.A OH no hydrogen 3.191 N/A TYR 292.A N ILE 288.A O no hydrogen 3.113 N/A TYR 292.A OH GLU 141.A OE2 no hydrogen 3.226 N/A VAL 293.A N LEU 289.A O no hydrogen 2.818 N/A LYS 294.A N ARG 290.A O no hydrogen 3.016 N/A ALA 295.A N ARG 291.A O no hydrogen 2.868 N/A LEU 296.A N VAL 293.A O no hydrogen 3.347 N/A ARG 297.A N VAL 293.A O no hydrogen 2.976 N/A TYR 299.A N LEU 296.A O no hydrogen 2.934 N/A GLY 300.A N ARG 297.A O no hydrogen 2.494 N/A TRP 301.A N LEU 296.A O no hydrogen 3.391 N/A TYR 302.A N GLU 11.A O no hydrogen 2.701 N/A SER 304.A N ARG 9.A O no hydrogen 2.668 N/A GLU 306.A N SER 304.A OG no hydrogen 3.427 N/A GLU 308.A N LEU 7.A O no hydrogen 3.038 N/A ALA 310.A N ALA 3.A O no hydrogen 2.798 N/A LYS 311.A N PHE 615.A O no hydrogen 2.613 N/A LYS 311.A NZ GLU 147.A OE1 no hydrogen 3.345 N/A LYS 313.A NZ PHE 610.A O no hydrogen 3.450 N/A LYS 313.A NZ LYS 612.A O no hydrogen 3.334 N/A LEU 314.A N GLY 613.A O no hydrogen 2.868 N/A LYS 317.A NZ GLU 488.A OE1 no hydrogen 3.318 N/A THR 319.A OG1 THR 328.A OG1 no hydrogen 2.409 N/A LEU 321.A N LYS 485.A O no hydrogen 2.871 N/A ASP 322.A N LYS 326.A O no hydrogen 3.345 N/A ALA 323.A N ARG 342.A O no hydrogen 2.967 N/A LYS 324.A N ASP 322.A OD1 no hydrogen 2.622 N/A GLY 325.A N ASP 322.A OD1 no hydrogen 2.712 N/A LYS 326.A N ASP 322.A OD1 no hydrogen 3.218 N/A THR 328.A OG1 THR 319.A OG1 no hydrogen 2.409 N/A VAL 330.A N ASN 327.A O no hydrogen 3.129 N/A ILE 331.A N ASN 327.A O no hydrogen 3.369 N/A ASN 333.A N VAL 330.A O no hydrogen 2.861 N/A PHE 337.A N LEU 334.A O no hydrogen 3.232 N/A LEU 338.A N LEU 334.A O no hydrogen 3.255 N/A LEU 338.A N ARG 335.A O no hydrogen 2.817 N/A GLU 339.A N ARG 335.A O no hydrogen 3.075 N/A CYS 341.A N PHE 337.A O no hydrogen 2.790 N/A CYS 341.A SG LEU 338.A O no hydrogen 3.476 N/A CYS 341.A SG PRO 483.A O no hydrogen 3.459 N/A ARG 342.A N ASP 322.A OD2 no hydrogen 2.954 N/A PHE 344.A N ILE 482.A O no hydrogen 3.020 N/A LYS 346.A N ASN 481.A OD1 no hydrogen 3.177 N/A LYS 347.A N ASN 481.A OD1 no hydrogen 3.186 N/A LYS 347.A NZ ASP 416.A OD1 no hydrogen 2.535 N/A LYS 347.A NZ ASP 416.A OD2 no hydrogen 3.385 N/A LEU 350.A N LYS 384.A O no hydrogen 2.794 N/A SER 351.A N ASP 416.A OD2 no hydrogen 2.856 N/A VAL 352.A N LYS 386.A O no hydrogen 2.818 N/A GLU 353.A N LEU 417.A O no hydrogen 2.810 N/A ILE 354.A N GLY 389.A O no hydrogen 2.942 N/A ILE 355.A N ILE 419.A O no hydrogen 2.546 N/A SER 356.A N SER 391.A O no hydrogen 2.966 N/A SER 356.A OG GLU 364.A OE1 no hydrogen 2.710 N/A VAL 357.A N PHE 421.A O no hydrogen 2.667 N/A SER 358.A N ILE 393.A O no hydrogen 2.987 N/A SER 358.A OG TYR 360.A O no hydrogen 2.976 N/A VAL 359.A N GLU 423.A OE1 no hydrogen 3.041 N/A LYS 367.A N GLU 364.A O no hydrogen 2.748 N/A LYS 367.A NZ SER 356.A OG no hydrogen 2.806 N/A LYS 367.A NZ GLU 364.A OE1 no hydrogen 2.610 N/A LYS 367.A NZ GLU 364.A OE2 no hydrogen 3.321 N/A GLU 368.A N GLU 364.A O no hydrogen 2.579 N/A GLU 369.A N TRP 365.A O no hydrogen 2.755 N/A PHE 370.A N ARG 366.A O no hydrogen 3.109 N/A LEU 371.A N LYS 367.A O no hydrogen 3.133 N/A LYS 372.A N GLU 368.A O no hydrogen 2.822 N/A LYS 372.A NZ GLU 368.A OE2 no hydrogen 3.145 N/A GLU 373.A N GLU 369.A O no hydrogen 2.823 N/A LEU 374.A N LEU 371.A O no hydrogen 3.342 N/A LEU 374.A N LYS 372.A O no hydrogen 2.487 N/A ILE 375.A N LEU 371.A O no hydrogen 3.044 N/A ASN 376.A N LYS 372.A O no hydrogen 3.144 N/A ASN 376.A ND2 GLU 373.A OE1 no hydrogen 3.561 N/A LEU 378.A N LEU 374.A O no hydrogen 2.989 N/A LYS 379.A N ILE 375.A O no hydrogen 2.902 N/A LYS 379.A N ASN 376.A O no hydrogen 2.917 N/A ASN 380.A N ASN 376.A O no hydrogen 3.009 N/A LYS 381.A N LEU 378.A O no hydrogen 3.228 N/A LYS 381.A NZ LEU 338.A O no hydrogen 2.493 N/A LYS 381.A NZ GLU 339.A O no hydrogen 2.825 N/A LYS 381.A NZ CYS 341.A O no hydrogen 2.976 N/A GLY 382.A N LYS 379.A O no hydrogen 2.732 N/A ILE 383.A N LEU 378.A O no hydrogen 2.766 N/A LYS 384.A N ASP 348.A O no hydrogen 3.304 N/A LYS 386.A N LEU 350.A O no hydrogen 2.745 N/A LYS 388.A N VAL 352.A O no hydrogen 2.844 N/A LYS 388.A NZ ASP 414.A O no hydrogen 3.048 N/A SER 391.A N ILE 354.A O no hydrogen 2.764 N/A ILE 393.A N SER 356.A O no hydrogen 2.749 N/A ALA 395.A N SER 358.A O no hydrogen 3.055 N/A GLN 396.A N GLU 400.A OE1 no hydrogen 2.776 N/A ARG 398.A NE TYR 425.A O no hydrogen 3.194 N/A ARG 398.A NE LYS 427.A O no hydrogen 3.227 N/A ALA 401.A N THR 397.A O no hydrogen 3.416 N/A LYS 402.A N ARG 398.A O no hydrogen 2.835 N/A GLU 403.A N GLU 399.A O no hydrogen 3.160 N/A LYS 404.A N GLU 400.A O no hydrogen 3.058 N/A LYS 404.A NZ LEU 394.A O no hydrogen 3.111 N/A LYS 404.A NZ GLU 400.A OE2 no hydrogen 3.179 N/A LEU 405.A N ALA 401.A O no hydrogen 2.695 N/A ILE 406.A N LYS 402.A O no hydrogen 3.191 N/A ILE 409.A N LEU 405.A O no hydrogen 2.839 N/A ASN 410.A N ILE 406.A O no hydrogen 2.878 N/A LYS 411.A N PRO 407.A O no hydrogen 3.291 N/A LYS 411.A N VAL 408.A O no hydrogen 3.085 N/A ILE 412.A N ILE 409.A O no hydrogen 3.103 N/A ASP 416.A N SER 351.A O no hydrogen 2.865 N/A LEU 417.A N SER 351.A O no hydrogen 3.259 N/A VAL 418.A N PRO 450.A O no hydrogen 3.317 N/A ILE 419.A N GLU 353.A O no hydrogen 2.727 N/A VAL 420.A N GLN 452.A O no hydrogen 3.006 N/A PHE 421.A N ILE 355.A O no hydrogen 2.681 N/A LEU 422.A N ILE 454.A O no hydrogen 2.889 N/A GLU 423.A N VAL 357.A O no hydrogen 2.939 N/A TYR 425.A OH ALA 395.A O no hydrogen 2.701 N/A LYS 427.A NZ GLU 263.A OE1 no hydrogen 3.048 N/A LYS 427.A NZ GLU 265.A OE2 no hydrogen 2.814 N/A LYS 432.A NZ ASP 429.A OD2 no hydrogen 3.365 N/A SER 433.A OG PRO 430.A O no hydrogen 3.261 N/A SER 433.A OG TYR 431.A O no hydrogen 3.215 N/A PHE 434.A N LYS 432.A O no hydrogen 2.785 N/A PHE 439.A N LEU 435.A O no hydrogen 2.752 N/A VAL 440.A N LEU 436.A O no hydrogen 3.039 N/A LYS 441.A N TYR 437.A O no hydrogen 2.778 N/A LYS 441.A NZ SER 451.A O no hydrogen 3.079 N/A LYS 441.A NZ SER 451.A OG no hydrogen 3.161 N/A LYS 441.A NZ LEU 704.A OXT no hydrogen 3.523 N/A ARG 442.A N ASP 438.A O no hydrogen 2.581 N/A GLU 443.A N PHE 439.A O no hydrogen 2.840 N/A LEU 444.A N VAL 440.A O no hydrogen 3.305 N/A LEU 445.A N LYS 441.A O no hydrogen 3.126 N/A LYS 446.A N ARG 442.A O no hydrogen 3.045 N/A LYS 446.A NZ GLU 443.A OE1 no hydrogen 3.385 N/A LYS 447.A NZ ASN 410.A O no hydrogen 2.906 N/A MET 448.A N LEU 445.A O no hydrogen 2.624 N/A ILE 449.A N LEU 444.A O no hydrogen 3.446 N/A GLN 452.A N VAL 418.A O no hydrogen 2.982 N/A GLN 452.A NE2 GLN 474.A OE1 no hydrogen 3.215 N/A ILE 454.A N VAL 420.A O no hydrogen 2.597 N/A ASN 456.A N LEU 422.A O no hydrogen 2.727 N/A THR 458.A N LEU 455.A O no hydrogen 2.819 N/A LYS 460.A N ASN 456.A O no hydrogen 3.130 N/A LYS 460.A N ARG 457.A O no hydrogen 2.733 N/A ASN 461.A N ARG 457.A O no hydrogen 2.854 N/A GLU 462.A N THR 458.A O no hydrogen 3.012 N/A VAL 467.A N ASN 463.A O no hydrogen 3.081 N/A LEU 468.A N LEU 464.A O no hydrogen 2.709 N/A LEU 469.A N LYS 465.A O no hydrogen 2.915 N/A ASN 470.A N PHE 466.A O no hydrogen 3.193 N/A VAL 471.A N VAL 467.A O no hydrogen 3.377 N/A ALA 472.A N LEU 468.A O no hydrogen 3.056 N/A GLU 473.A N LEU 469.A O no hydrogen 2.975 N/A VAL 475.A N VAL 471.A O no hydrogen 2.739 N/A LEU 476.A N ALA 472.A O no hydrogen 3.077 N/A ALA 477.A N GLU 473.A O no hydrogen 3.385 N/A LYS 478.A N GLN 474.A O no hydrogen 2.800 N/A LYS 478.A NZ SER 451.A O no hydrogen 2.703 N/A LYS 478.A NZ GLN 452.A OE1 no hydrogen 2.425 N/A LYS 478.A NZ GLN 474.A OE1 no hydrogen 3.430 N/A LYS 478.A NZ LEU 704.A O no hydrogen 3.247 N/A LYS 478.A NZ LEU 704.A OXT no hydrogen 3.260 N/A THR 479.A N VAL 475.A O no hydrogen 3.169 N/A THR 479.A N LEU 476.A O no hydrogen 3.104 N/A THR 479.A OG1 VAL 475.A O no hydrogen 3.184 N/A GLY 480.A N ALA 477.A O no hydrogen 2.745 N/A ASN 481.A N LEU 476.A O no hydrogen 2.843 N/A ASN 481.A ND2 LEU 476.A O no hydrogen 3.606 N/A TYR 484.A OH GLU 473.A OE2 no hydrogen 2.281 N/A LYS 485.A N LEU 321.A O no hydrogen 2.786 N/A LYS 487.A N THR 319.A O no hydrogen 3.207 N/A ASP 494.A N LYS 563.A O no hydrogen 3.065 N/A ALA 495.A N LYS 563.A O no hydrogen 3.356 N/A PHE 496.A N PHE 520.A O no hydrogen 2.884 N/A VAL 497.A N VAL 565.A O no hydrogen 2.798 N/A GLY 498.A N LYS 518.A O no hydrogen 3.071 N/A ILE 499.A N HIS 567.A O no hydrogen 2.785 N/A ASP 500.A N PHE 516.A O no hydrogen 2.945 N/A SER 502.A N VAL 514.A O no hydrogen 3.053 N/A SER 502.A OG THR 684.A OG1 no hydrogen 2.718 N/A ARG 503.A NH1 THR 510.A OG1 no hydrogen 3.367 N/A THR 505.A OG1 ARG 503.A O no hydrogen 3.408 N/A ARG 506.A N LYS 509.A O no hydrogen 3.289 N/A LYS 509.A N ARG 506.A O no hydrogen 2.677 N/A VAL 511.A N ILE 504.A O no hydrogen 3.134 N/A ALA 513.A N ASN 512.A OD1 no hydrogen 2.751 N/A VAL 514.A N SER 502.A O no hydrogen 2.963 N/A ALA 515.A N THR 532.A O no hydrogen 2.600 N/A PHE 516.A N ASP 500.A O no hydrogen 2.743 N/A THR 517.A N TYR 530.A O no hydrogen 3.144 N/A LYS 518.A N GLY 498.A O no hydrogen 3.128 N/A LYS 518.A NZ ALA 675.A O no hydrogen 3.006 N/A LYS 518.A NZ THR 676.A O no hydrogen 3.198 N/A LYS 518.A NZ HIS 678.A O no hydrogen 3.082 N/A ILE 519.A N ARG 528.A O no hydrogen 3.053 N/A PHE 520.A N PHE 496.A O no hydrogen 2.916 N/A ASN 521.A N GLU 525.A O no hydrogen 2.707 N/A ASN 521.A ND2 GLU 525.A OE2 no hydrogen 2.731 N/A GLY 524.A N ASN 521.A O no hydrogen 2.659 N/A GLU 525.A N ASN 521.A OD1 no hydrogen 2.875 N/A VAL 527.A N ILE 519.A O no hydrogen 2.764 N/A ARG 528.A N ILE 519.A O no hydrogen 3.486 N/A ARG 528.A NH1 GLU 697.A OE1 no hydrogen 2.657 N/A ARG 528.A NH1 GLU 697.A OE2 no hydrogen 2.780 N/A TYR 529.A N GLY 698.A O no hydrogen 2.860 N/A TYR 530.A N THR 517.A O no hydrogen 2.940 N/A LEU 531.A N LYS 696.A O no hydrogen 2.642 N/A THR 532.A N ALA 515.A O no hydrogen 3.031 N/A SER 533.A N ILE 694.A O no hydrogen 3.261 N/A SER 533.A OG ILE 694.A O no hydrogen 3.180 N/A TYR 534.A N ALA 513.A O no hydrogen 2.672 N/A TYR 534.A OH ASP 548.A OD2 no hydrogen 3.032 N/A THR 542.A OG1 ASP 575.A OD2 no hydrogen 3.372 N/A LYS 544.A N LYS 540.A O no hydrogen 3.005 N/A ALA 545.A N LEU 541.A O no hydrogen 2.941 N/A ILE 546.A N THR 542.A O no hydrogen 2.899 N/A GLY 547.A N GLU 543.A O no hydrogen 3.013 N/A ASP 548.A N LYS 544.A O no hydrogen 2.956 N/A VAL 549.A N ILE 546.A O no hydrogen 2.887 N/A PHE 550.A N ILE 546.A O no hydrogen 3.358 N/A SER 551.A N GLY 547.A O no hydrogen 2.961 N/A SER 551.A OG ASP 548.A O no hydrogen 3.272 N/A LEU 552.A N ASP 548.A O no hydrogen 3.246 N/A LEU 553.A N VAL 549.A O no hydrogen 3.057 N/A GLU 554.A N PHE 550.A O no hydrogen 3.062 N/A LYS 555.A N SER 551.A O no hydrogen 2.799 N/A LEU 556.A N LEU 552.A O no hydrogen 3.149 N/A LEU 556.A N LEU 553.A O no hydrogen 3.101 N/A PHE 558.A N LEU 553.A O no hydrogen 3.198 N/A GLY 561.A N GLY 588.A O no hydrogen 2.770 N/A SER 562.A N LYS 559.A O no hydrogen 3.026 N/A SER 562.A OG LYS 559.A O no hydrogen 2.373 N/A ILE 564.A N SER 590.A O no hydrogen 2.718 N/A VAL 565.A N ALA 495.A O no hydrogen 3.084 N/A VAL 566.A N GLU 592.A O no hydrogen 2.690 N/A HIS 567.A N VAL 497.A O no hydrogen 2.734 N/A ARG 568.A N LEU 594.A O no hydrogen 3.292 N/A LEU 572.A N GLU 595.A OE2 no hydrogen 3.093 N/A GLU 576.A N TYR 573.A O no hydrogen 3.068 N/A VAL 577.A N TYR 573.A O no hydrogen 3.258 N/A ALA 578.A N ARG 574.A O no hydrogen 3.073 N/A PHE 580.A N GLU 576.A O no hydrogen 2.840 N/A LYS 581.A N VAL 577.A O no hydrogen 2.920 N/A LYS 582.A N ALA 578.A O no hydrogen 3.091 N/A TYR 583.A N ALA 579.A O no hydrogen 3.403 N/A GLY 584.A N PHE 580.A O no hydrogen 2.888 N/A GLU 585.A N LYS 581.A O no hydrogen 3.144 N/A LEU 586.A N LYS 582.A O no hydrogen 2.973 N/A TYR 587.A N TYR 583.A O no hydrogen 2.911 N/A GLY 588.A N GLY 584.A O no hydrogen 2.825 N/A TYR 589.A N GLY 584.A O no hydrogen 3.139 N/A TYR 589.A OH PHE 558.A O no hydrogen 3.215 N/A GLU 592.A N ILE 564.A O no hydrogen 2.936 N/A LEU 593.A N TYR 645.A O no hydrogen 3.181 N/A LEU 594.A N VAL 566.A O no hydrogen 2.882 N/A GLU 595.A N ARG 642.A O no hydrogen 2.967 N/A ILE 596.A N ARG 568.A O no hydrogen 2.931 N/A ILE 597.A N LYS 640.A O no hydrogen 2.744 N/A LYS 598.A NZ ASP 569.A OD1 no hydrogen 3.361 N/A LYS 598.A NZ ASP 569.A OD2 no hydrogen 2.558 N/A ASN 601.A ND2 ILE 597.A O no hydrogen 2.814 N/A ASN 601.A ND2 PRO 638.A O no hydrogen 2.987 N/A ARG 603.A N ASN 6.A OD1 no hydrogen 2.903 N/A ARG 603.A NE ASP 156.A OD2 no hydrogen 3.246 N/A PHE 605.A N LEU 4.A O no hydrogen 2.696 N/A SER 606.A OG GLU 2.A O no hydrogen 3.219 N/A GLU 608.A N SER 606.A OG no hydrogen 3.271 N/A LYS 612.A NZ THR 627.A O no hydrogen 2.754 N/A GLY 613.A N ALA 626.A O no hydrogen 2.973 N/A TYR 614.A N ILE 611.A O no hydrogen 2.790 N/A PHE 615.A N GLY 312.A O no hydrogen 3.132 N/A TYR 616.A N ILE 624.A O no hydrogen 3.080 N/A TYR 616.A OH GLU 308.A OE1 no hydrogen 2.138 N/A LYS 617.A NZ GLU 147.A OE2 no hydrogen 2.822 N/A LEU 618.A N SER 622.A O no hydrogen 2.731 N/A SER 619.A N LYS 145.A O no hydrogen 2.594 N/A SER 619.A OG SER 146.A O no hydrogen 3.192 N/A SER 622.A OG SER 619.A O no hydrogen 3.011 N/A VAL 623.A N VAL 641.A O no hydrogen 2.780 N/A LEU 625.A N ILE 639.A O no hydrogen 2.736 N/A ALA 626.A N TYR 614.A O no hydrogen 3.137 N/A THR 627.A OG1 LYS 672.A O no hydrogen 3.080 N/A TYR 628.A OH THR 635.A O no hydrogen 3.330 N/A GLN 630.A N LYS 609.A O no hydrogen 3.182 N/A GLN 637.A N TYR 628.A OH no hydrogen 2.907 N/A ILE 639.A N LEU 625.A O no hydrogen 2.754 N/A LYS 640.A N ILE 597.A O no hydrogen 2.842 N/A VAL 641.A N VAL 623.A O no hydrogen 3.122 N/A ARG 642.A NH1 GLU 595.A OE1 no hydrogen 3.161 N/A LYS 643.A N ASP 621.A O no hydrogen 2.830 N/A LYS 643.A NZ GLY 646.A O no hydrogen 2.542 N/A LYS 643.A NZ LEU 648.A O no hydrogen 2.893 N/A VAL 644.A N LEU 593.A O no hydrogen 2.903 N/A GLU 647.A N GLU 592.A OE2 no hydrogen 3.146 N/A GLU 651.A N GLU 651.A OE1 no hydrogen 2.644 N/A VAL 652.A N PRO 649.A O no hydrogen 2.477 N/A LEU 653.A N PRO 649.A O no hydrogen 3.250 N/A CYS 654.A N VAL 650.A O no hydrogen 2.499 N/A CYS 654.A SG VAL 650.A O no hydrogen 3.335 N/A SER 655.A N GLU 651.A O no hydrogen 2.926 N/A SER 655.A OG GLU 490.A OE2 no hydrogen 3.039 N/A GLN 656.A N VAL 652.A O no hydrogen 2.902 N/A GLN 656.A NE2 GLU 490.A O no hydrogen 2.815 N/A ILE 657.A N LEU 653.A O no hydrogen 2.962 N/A LEU 658.A N CYS 654.A O no hydrogen 2.844 N/A SER 659.A N SER 655.A O no hydrogen 2.897 N/A SER 659.A OG LYS 317.A O no hydrogen 2.876 N/A LEU 660.A N GLN 656.A O no hydrogen 2.922 N/A THR 661.A N ILE 657.A O no hydrogen 3.090 N/A LEU 662.A N SER 659.A O no hydrogen 2.755 N/A MET 663.A N LEU 660.A O no hydrogen 2.634 N/A ASN 664.A N THR 661.A O no hydrogen 3.409 N/A ASN 664.A ND2 THR 661.A O no hydrogen 3.410 N/A ASN 664.A ND2 LEU 673.A O no hydrogen 2.727 N/A TYR 665.A N LEU 662.A O no hydrogen 3.146 N/A TYR 665.A OH TYR 484.A O no hydrogen 2.624 N/A SER 666.A OG GLN 669.A O no hydrogen 3.323 N/A SER 667.A N GLU 473.A OE1 no hydrogen 3.108 N/A SER 667.A N GLU 473.A OE2 no hydrogen 3.453 N/A SER 667.A OG GLU 473.A OE1 no hydrogen 3.302 N/A SER 667.A OG GLU 473.A OE2 no hydrogen 3.051 N/A GLN 669.A N SER 666.A O no hydrogen 3.233 N/A ALA 675.A N LEU 660.A O no hydrogen 3.455 N/A VAL 677.A N PRO 674.A O no hydrogen 3.083 N/A HIS 678.A N ALA 675.A O no hydrogen 3.479 N/A SER 680.A N VAL 677.A O no hydrogen 3.290 N/A ILE 683.A N TYR 679.A O no hydrogen 3.070 N/A THR 684.A N SER 680.A O no hydrogen 3.034 N/A THR 684.A OG1 ASP 500.A OD2 no hydrogen 2.847 N/A THR 684.A OG1 SER 502.A OG no hydrogen 2.718 N/A THR 684.A OG1 SER 680.A O no hydrogen 3.421 N/A THR 684.A OG1 ASP 681.A O no hydrogen 2.856 N/A LYS 685.A N ASP 681.A O no hydrogen 3.078 N/A LYS 685.A NZ ASP 681.A OD2 no hydrogen 3.459 N/A LEU 686.A N LYS 682.A O no hydrogen 2.622 N/A MET 687.A N ILE 683.A O no hydrogen 3.012 N/A LEU 688.A N THR 684.A O no hydrogen 3.159 N/A ILE 694.A N SER 533.A OG no hydrogen 3.021 N/A LYS 696.A N LEU 531.A O no hydrogen 3.008 N/A GLY 698.A N TYR 529.A O no hydrogen 3.392 N/A TYR 702.A N ILE 700.A O no hydrogen 2.542 N/A LEU 704.A N MET 701.A O no hydrogen 3.309 N/A