Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8efe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 1.A OE1 no hydrogen 2.463 N/A ALA 9.A N GLY 6.A O no hydrogen 3.139 N/A LEU 12.A N ALA 8.A O no hydrogen 2.812 N/A ARG 13.A N ALA 9.A O no hydrogen 2.909 N/A ARG 13.A NH2 GLU 145.A O no hydrogen 2.638 N/A SER 15.A OG GLU 18.A OE1 no hydrogen 1.948 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.521 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.709 N/A ARG 19.A N SER 15.A O no hydrogen 3.497 N/A LEU 20.A N GLU 16.A O no hydrogen 2.888 N/A GLU 21.A N LYS 17.A O no hydrogen 2.917 N/A ALA 22.A N GLU 18.A O no hydrogen 2.924 N/A GLN 23.A N ARG 19.A O no hydrogen 2.882 N/A THR 24.A N LEU 20.A O no hydrogen 3.259 N/A THR 24.A OG1 LEU 20.A O no hydrogen 3.425 N/A THR 24.A OG1 GLU 21.A O no hydrogen 3.016 N/A ARG 25.A N ALA 22.A O no hydrogen 3.054 N/A LYS 31.A N ASP 28.A O no hydrogen 3.095 N/A LYS 31.A NZ ILE 47.A O no hydrogen 3.331 N/A ASP 32.A N ASP 28.A O no hydrogen 3.365 N/A VAL 33.A N ALA 45.A O no hydrogen 2.902 N/A PHE 34.A N MET 73.A O no hydrogen 3.486 N/A VAL 35.A N VAL 43.A O no hydrogen 2.851 N/A LYS 39.A N ASP 38.A OD1 no hydrogen 2.347 N/A GLN 40.A NE2 TYR 61.A OH no hydrogen 3.498 N/A VAL 43.A N VAL 35.A O no hydrogen 2.939 N/A LYS 44.A NZ TYR 99.A OH no hydrogen 2.862 N/A ALA 45.A N VAL 33.A O no hydrogen 2.923 N/A LYS 46.A N GLU 58.A O no hydrogen 2.909 N/A ILE 47.A N LYS 31.A O no hydrogen 2.658 N/A VAL 48.A N THR 56.A O no hydrogen 2.895 N/A GLU 51.A N LYS 54.A O no hydrogen 3.325 N/A VAL 55.A N VAL 67.A O no hydrogen 2.862 N/A THR 56.A N GLU 51.A OE1 no hydrogen 3.238 N/A THR 56.A OG1 THR 66.A OG1 no hydrogen 3.341 N/A ALA 57.A N VAL 65.A O no hydrogen 3.474 N/A GLU 58.A N LYS 46.A O no hydrogen 2.879 N/A THR 59.A OG1 LYS 44.A O no hydrogen 2.893 N/A THR 66.A OG1 VAL 55.A O no hydrogen 2.454 N/A THR 66.A OG1 THR 56.A OG1 no hydrogen 3.341 N/A VAL 67.A N VAL 55.A O no hydrogen 2.942 N/A GLU 69.A N GLY 53.A O no hydrogen 2.612 N/A GLN 71.A N LYS 68.A O no hydrogen 3.123 N/A ASN 76.A ND2 PHE 91.A O no hydrogen 3.348 N/A PHE 80.A N PRO 77.A O no hydrogen 3.162 N/A MET 86.A N TYR 113.A O no hydrogen 3.075 N/A ALA 87.A N ASP 85.A OD1 no hydrogen 3.152 N/A LEU 89.A N MET 86.A O no hydrogen 3.285 N/A VAL 97.A N HIS 93.A O no hydrogen 3.461 N/A TYR 99.A N PRO 95.A O no hydrogen 2.902 N/A ASN 100.A N ALA 96.A O no hydrogen 2.918 N/A LEU 101.A N VAL 97.A O no hydrogen 2.901 N/A LYS 102.A N LEU 98.A O no hydrogen 2.911 N/A ASP 103.A N TYR 99.A O no hydrogen 2.894 N/A ARG 104.A N ASN 100.A O no hydrogen 2.927 N/A ARG 104.A NE THR 112.A OG1 no hydrogen 3.319 N/A ARG 104.A NH1 GLU 84.A OE1 no hydrogen 2.699 N/A ARG 104.A NH2 THR 112.A OG1 no hydrogen 2.785 N/A TYR 105.A N LEU 101.A O no hydrogen 2.886 N/A TYR 105.A OH PRO 634.A O no hydrogen 2.565 N/A GLY 106.A N LYS 102.A O no hydrogen 2.898 N/A SER 107.A N ASP 103.A O no hydrogen 3.324 N/A SER 107.A OG SER 107.A O no hydrogen 2.344 N/A TRP 108.A N TYR 105.A O no hydrogen 2.825 N/A MET 109.A N ARG 104.A O no hydrogen 2.926 N/A TYR 111.A OH TYR 130.A OH no hydrogen 3.035 N/A THR 112.A N VAL 119.A O no hydrogen 2.797 N/A TYR 113.A N GLU 84.A O no hydrogen 3.315 N/A TYR 113.A OH SER 152.A OG no hydrogen 2.287 N/A SER 114.A OG SER 114.A O no hydrogen 2.522 N/A GLY 115.A N ASP 85.A OD1 no hydrogen 3.352 N/A VAL 119.A N THR 112.A O no hydrogen 2.712 N/A THR 120.A N ARG 624.A O no hydrogen 2.860 N/A THR 120.A OG1 VAL 121.A O no hydrogen 3.544 N/A ASN 122.A ND2 GLY 177.A O no hydrogen 3.643 N/A TYR 130.A OH TYR 111.A OH no hydrogen 3.035 N/A THR 131.A N PRO 128.A O no hydrogen 3.143 N/A THR 131.A OG1 PRO 128.A O no hydrogen 2.681 N/A VAL 135.A N THR 131.A O no hydrogen 3.125 N/A ALA 136.A N PRO 132.A O no hydrogen 2.908 N/A ALA 137.A N GLU 133.A O no hydrogen 2.888 N/A TYR 138.A N VAL 134.A O no hydrogen 2.914 N/A ARG 139.A N ALA 136.A O no hydrogen 3.074 N/A GLY 140.A N ASP 155.A OD2 no hydrogen 3.069 N/A LYS 141.A N TYR 138.A O no hydrogen 2.901 N/A LYS 141.A NZ ALA 137.A O no hydrogen 3.128 N/A LYS 142.A N GLU 145.A OE2 no hydrogen 3.252 N/A LYS 142.A NZ ASN 156.A OD1 no hydrogen 2.782 N/A LYS 142.A NZ GLN 159.A OE1 no hydrogen 2.868 N/A ARG 143.A NH2 PHE 117.A O no hydrogen 2.516 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.849 N/A PHE 151.A N HIS 149.A ND1 no hydrogen 3.205 N/A SER 152.A N HIS 149.A O no hydrogen 3.116 N/A SER 152.A OG TYR 113.A OH no hydrogen 2.287 N/A SER 152.A OG HIS 149.A O no hydrogen 2.321 N/A SER 154.A N ILE 150.A O no hydrogen 2.936 N/A SER 154.A OG ILE 150.A O no hydrogen 3.045 N/A ASP 155.A N PHE 151.A O no hydrogen 2.871 N/A ASN 156.A N SER 152.A O no hydrogen 2.890 N/A ALA 157.A N ILE 153.A O no hydrogen 2.886 N/A TYR 158.A N SER 154.A O no hydrogen 2.915 N/A TYR 158.A OH GLY 234.A O no hydrogen 2.151 N/A GLN 159.A N ASP 155.A O no hydrogen 2.867 N/A TYR 160.A N ASN 156.A O no hydrogen 2.875 N/A MET 161.A N ALA 157.A O no hydrogen 2.914 N/A LEU 162.A N TYR 158.A O no hydrogen 2.903 N/A THR 163.A N GLN 159.A O no hydrogen 2.894 N/A ASP 164.A N TYR 160.A O no hydrogen 2.886 N/A ARG 165.A N MET 161.A O no hydrogen 2.864 N/A GLN 168.A NE2 HIS 619.A ND1 no hydrogen 3.515 N/A GLN 168.A NE2 HIS 621.A NE2 no hydrogen 3.466 N/A SER 169.A N HIS 619.A O no hydrogen 2.779 N/A SER 169.A OG THR 618.A OG1 no hydrogen 2.759 N/A SER 169.A OG HIS 619.A O no hydrogen 3.162 N/A ILE 170.A N GLY 436.A O no hydrogen 2.878 N/A LEU 171.A N HIS 621.A O no hydrogen 2.555 N/A ILE 172.A N LEU 438.A O no hydrogen 2.860 N/A SER 176.A OG GLU 175.A OE2 no hydrogen 3.257 N/A ALA 178.A N GLU 175.A O no hydrogen 2.858 N/A ASN 183.A N GLY 179.A O no hydrogen 2.981 N/A THR 184.A N LYS 180.A O no hydrogen 2.827 N/A THR 184.A OG1 LYS 180.A O no hydrogen 3.361 N/A THR 184.A OG1 THR 181.A O no hydrogen 2.388 N/A LYS 185.A N THR 181.A O no hydrogen 2.874 N/A ARG 186.A N VAL 182.A O no hydrogen 2.909 N/A VAL 187.A N ASN 183.A O no hydrogen 2.949 N/A ILE 188.A N THR 184.A O no hydrogen 2.880 N/A GLN 189.A N LYS 185.A O no hydrogen 3.056 N/A TYR 190.A N ARG 186.A O no hydrogen 2.929 N/A PHE 191.A N VAL 187.A O no hydrogen 2.890 N/A ALA 192.A N ILE 188.A O no hydrogen 2.885 N/A VAL 193.A N GLN 189.A O no hydrogen 3.033 N/A VAL 193.A N TYR 190.A O no hydrogen 3.181 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.506 N/A ILE 198.A N LEU 194.A O no hydrogen 2.967 N/A ILE 199.A N GLU 195.A O no hydrogen 2.929 N/A GLN 200.A N ASP 196.A O no hydrogen 2.868 N/A ALA 201.A N GLN 197.A O no hydrogen 2.891 N/A ASN 202.A N ILE 198.A O no hydrogen 2.916 N/A ASN 202.A N ILE 199.A O no hydrogen 3.278 N/A LEU 205.A N ALA 201.A O no hydrogen 3.317 N/A GLU 206.A N ASN 202.A O no hydrogen 2.917 N/A ALA 207.A N PRO 203.A O no hydrogen 2.881 N/A PHE 208.A N ALA 204.A O no hydrogen 2.922 N/A GLY 209.A N GLU 206.A O no hydrogen 3.258 N/A ASN 210.A ND2 GLU 206.A OE2 no hydrogen 2.751 N/A ASN 210.A ND2 ASN 218.A O no hydrogen 2.682 N/A ASN 210.A ND2 SER 220.A OG no hydrogen 2.883 N/A ALA 211.A N SER 219.A O no hydrogen 3.174 N/A LYS 212.A NZ ALA 257.A O no hydrogen 3.150 N/A THR 213.A N ASN 216.A O no hydrogen 2.468 N/A THR 213.A OG1 ASN 216.A O no hydrogen 2.723 N/A ASN 216.A N THR 213.A OG1 no hydrogen 2.645 N/A ASP 217.A N ASN 216.A OD1 no hydrogen 2.889 N/A SER 219.A N ALA 211.A O no hydrogen 3.151 N/A SER 219.A OG ALA 211.A O no hydrogen 2.384 N/A SER 220.A OG GLU 206.A OE2 no hydrogen 2.455 N/A SER 220.A OG ASN 210.A OD1 no hydrogen 3.052 N/A GLY 223.A N TYR 244.A O no hydrogen 2.944 N/A LYS 224.A N ASP 439.A O no hydrogen 2.986 N/A LYS 224.A N ASP 439.A OD1 no hydrogen 3.155 N/A PHE 225.A N GLU 242.A O no hydrogen 2.911 N/A ILE 226.A N VAL 437.A O no hydrogen 2.892 N/A ARG 227.A N ASP 240.A O no hydrogen 2.866 N/A ILE 228.A N ILE 435.A O no hydrogen 2.876 N/A HIS 229.A N SER 238.A O no hydrogen 2.869 N/A GLY 231.A N LYS 235.A O no hydrogen 2.865 N/A THR 233.A OG1 THR 233.A O no hydrogen 2.598 N/A GLY 234.A N GLY 231.A O no hydrogen 3.062 N/A ALA 237.A N HIS 229.A O no hydrogen 3.000 N/A SER 238.A N HIS 229.A O no hydrogen 2.945 N/A ASP 240.A N ARG 227.A O no hydrogen 2.879 N/A GLU 242.A N PHE 225.A O no hydrogen 2.900 N/A TYR 244.A N GLY 223.A O no hydrogen 3.279 N/A TYR 244.A OH GLU 242.A OE1 no hydrogen 2.541 N/A SER 249.A OG GLU 452.A OE2 no hydrogen 2.702 N/A ARG 250.A N GLU 247.A O no hydrogen 3.217 N/A ARG 250.A NH2 ARG 259.A O no hydrogen 3.096 N/A ILE 252.A N LYS 248.A O no hydrogen 2.966 N/A PHE 253.A N SER 249.A O no hydrogen 2.651 N/A GLN 254.A NE2 PHE 290.A O no hydrogen 2.301 N/A ARG 259.A NH1 HIS 262.A ND1 no hydrogen 3.171 N/A ASP 260.A N TYR 265.A OH no hydrogen 2.868 N/A TYR 261.A N ASP 260.A OD1 no hydrogen 2.599 N/A HIS 262.A N ASN 210.A O no hydrogen 3.327 N/A HIS 262.A NE2 ASN 218.A OD1 no hydrogen 2.798 N/A TYR 265.A OH GLU 295.A O no hydrogen 3.210 N/A GLN 266.A N HIS 262.A O no hydrogen 2.888 N/A ILE 267.A N ILE 263.A O no hydrogen 2.953 N/A LEU 268.A N PHE 264.A O no hydrogen 2.893 N/A SER 269.A N TYR 265.A O no hydrogen 3.019 N/A SER 269.A N GLN 266.A O no hydrogen 2.847 N/A GLU 274.A N GLU 274.A OE1 no hydrogen 2.575 N/A LEU 275.A N LYS 272.A O no hydrogen 3.184 N/A ASP 277.A N PRO 273.A O no hydrogen 2.904 N/A MET 278.A N GLU 274.A O no hydrogen 2.926 N/A LEU 279.A N LEU 275.A O no hydrogen 2.818 N/A LEU 280.A N ASP 277.A O no hydrogen 3.427 N/A ILE 281.A N LEU 276.A O no hydrogen 3.052 N/A THR 282.A N TYR 288.A OH no hydrogen 3.156 N/A THR 282.A OG1 ASP 287.A OD2 no hydrogen 3.141 N/A TYR 286.A N ASN 284.A OD1 no hydrogen 3.404 N/A TYR 286.A OH THR 296.A OG1 no hydrogen 2.620 N/A ASP 287.A N ASN 284.A O no hydrogen 3.030 N/A TYR 288.A N PRO 285.A O no hydrogen 3.232 N/A ALA 289.A N GLY 338.A O no hydrogen 3.371 N/A ILE 291.A N TYR 288.A O no hydrogen 3.339 N/A SER 292.A N TYR 288.A O no hydrogen 3.010 N/A SER 292.A OG PRO 285.A O no hydrogen 2.976 N/A SER 292.A OG TYR 288.A O no hydrogen 2.425 N/A GLY 294.A N ILE 291.A O no hydrogen 3.163 N/A GLU 295.A N GLU 258.A O no hydrogen 2.413 N/A THR 296.A OG1 TYR 286.A OH no hydrogen 2.620 N/A THR 297.A OG1 VAL 298.A O no hydrogen 3.445 N/A ALA 304.A N ASP 302.A O no hydrogen 2.415 N/A GLU 306.A N GLU 306.A OE1 no hydrogen 2.677 N/A LEU 307.A N ASP 303.A O no hydrogen 2.846 N/A MET 308.A N ALA 304.A O no hydrogen 2.920 N/A ALA 309.A N GLU 305.A O no hydrogen 2.907 N/A THR 310.A N GLU 306.A O no hydrogen 2.907 N/A THR 310.A OG1 GLN 266.A OE1 no hydrogen 3.554 N/A THR 310.A OG1 GLU 306.A O no hydrogen 3.162 N/A THR 310.A OG1 LEU 307.A O no hydrogen 2.602 N/A ASP 311.A N LEU 307.A O no hydrogen 2.877 N/A ASN 312.A N MET 308.A O no hydrogen 2.872 N/A ALA 313.A N ALA 309.A O no hydrogen 2.928 N/A PHE 314.A N THR 310.A O no hydrogen 2.901 N/A ASP 315.A N ASP 311.A O no hydrogen 2.872 N/A VAL 316.A N ASN 312.A O no hydrogen 3.179 N/A SER 321.A OG ASN 325.A OD1 no hydrogen 3.398 N/A GLU 322.A N GLU 322.A OE1 no hydrogen 2.595 N/A LYS 324.A NZ ASP 311.A OD1 no hydrogen 2.564 N/A LYS 324.A NZ ASP 315.A OD1 no hydrogen 2.582 N/A LYS 324.A NZ ASP 315.A OD2 no hydrogen 3.335 N/A ASN 325.A N SER 321.A O no hydrogen 2.902 N/A SER 326.A N GLU 322.A O no hydrogen 2.878 N/A MET 327.A N GLU 323.A O no hydrogen 2.908 N/A TYR 328.A N LYS 324.A O no hydrogen 2.940 N/A LYS 329.A N ASN 325.A O no hydrogen 2.860 N/A LEU 330.A N SER 326.A O no hydrogen 2.907 N/A THR 331.A N MET 327.A O no hydrogen 2.930 N/A THR 331.A OG1 MET 327.A O no hydrogen 3.098 N/A THR 331.A OG1 TYR 328.A O no hydrogen 2.545 N/A GLY 332.A N TYR 328.A O no hydrogen 2.909 N/A ALA 333.A N LYS 329.A O no hydrogen 2.901 N/A ILE 334.A N LEU 330.A O no hydrogen 2.897 N/A MET 335.A N THR 331.A O no hydrogen 2.934 N/A HIS 336.A N GLY 332.A O no hydrogen 2.882 N/A HIS 336.A ND1 GLU 358.A OE2 no hydrogen 2.314 N/A HIS 336.A NE2 LEU 279.A O no hydrogen 3.292 N/A PHE 337.A N ALA 333.A O no hydrogen 3.203 N/A PHE 337.A N ILE 334.A O no hydrogen 3.136 N/A GLY 338.A N MET 335.A O no hydrogen 3.484 N/A ASN 339.A ND2 ASP 287.A O no hydrogen 3.398 N/A ASN 339.A ND2 GLU 358.A OE2 no hydrogen 3.310 N/A LYS 341.A NZ ASN 339.A O no hydrogen 2.544 N/A LYS 343.A NZ LEU 344.A O no hydrogen 2.979 N/A LYS 345.A N GLN 350.A O no hydrogen 2.610 N/A LYS 345.A NZ HIS 379.A NE2 no hydrogen 3.302 N/A ALA 351.A N GLN 350.A OE1 no hydrogen 3.056 N/A GLU 352.A N LYS 343.A O no hydrogen 2.725 N/A GLU 352.A N GLU 352.A OE2 no hydrogen 2.839 N/A THR 356.A N ASP 354.A O no hydrogen 3.019 N/A LYS 361.A N GLU 357.A O no hydrogen 3.107 N/A SER 362.A N GLU 358.A O no hydrogen 2.920 N/A SER 362.A OG GLU 358.A O no hydrogen 3.196 N/A SER 362.A OG ALA 359.A O no hydrogen 2.650 N/A ALA 363.A N ALA 359.A O no hydrogen 2.879 N/A TYR 364.A N ASP 360.A O no hydrogen 2.925 N/A LEU 365.A N LYS 361.A O no hydrogen 2.879 N/A MET 366.A N SER 362.A O no hydrogen 2.926 N/A GLY 367.A N TYR 364.A O no hydrogen 3.150 N/A SER 370.A OG ASP 360.A OD1 no hydrogen 2.851 N/A ALA 371.A N ASN 369.A OD1 no hydrogen 3.283 N/A LEU 373.A N ASN 369.A O no hydrogen 2.921 N/A LEU 374.A N SER 370.A O no hydrogen 2.908 N/A LYS 375.A N ALA 371.A O no hydrogen 2.905 N/A GLY 376.A N ASP 372.A O no hydrogen 2.893 N/A LEU 377.A N LEU 373.A O no hydrogen 2.918 N/A CYS 378.A N LEU 374.A O no hydrogen 2.901 N/A CYS 378.A SG ALA 351.A O no hydrogen 3.346 N/A CYS 378.A SG LEU 374.A O no hydrogen 3.248 N/A HIS 379.A N LYS 375.A O no hydrogen 2.850 N/A ARG 381.A NH2 TYR 388.A O no hydrogen 2.852 N/A VAL 382.A N VAL 389.A O no hydrogen 2.906 N/A VAL 384.A N GLU 387.A O no hydrogen 2.893 N/A GLU 387.A N VAL 384.A O no hydrogen 2.918 N/A VAL 389.A N VAL 382.A O no hydrogen 2.887 N/A LYS 391.A N PRO 380.A O no hydrogen 2.814 N/A GLN 397.A N ASN 394.A OD1 no hydrogen 3.091 N/A VAL 398.A N ASN 394.A O no hydrogen 3.052 N/A ILE 399.A N VAL 395.A O no hydrogen 2.917 N/A TYR 400.A N GLN 396.A O no hydrogen 2.928 N/A ALA 401.A N GLN 397.A O no hydrogen 2.863 N/A THR 402.A N VAL 398.A O no hydrogen 2.887 N/A GLY 403.A N ILE 399.A O no hydrogen 2.970 N/A ALA 404.A N TYR 400.A O no hydrogen 2.894 N/A LEU 405.A N ALA 401.A O no hydrogen 2.863 N/A ALA 406.A N THR 402.A O no hydrogen 2.913 N/A LYS 407.A N GLY 403.A O no hydrogen 2.982 N/A ALA 408.A N ALA 404.A O no hydrogen 2.868 N/A VAL 409.A N LEU 405.A O no hydrogen 2.908 N/A TYR 410.A N ALA 406.A O no hydrogen 2.969 N/A TYR 410.A OH PHE 208.A O no hydrogen 3.165 N/A GLU 411.A N LYS 407.A O no hydrogen 2.932 N/A ARG 412.A N ALA 408.A O no hydrogen 2.895 N/A ARG 412.A NE THR 597.A O no hydrogen 3.186 N/A MET 413.A N VAL 409.A O no hydrogen 2.867 N/A PHE 414.A N TYR 410.A O no hydrogen 2.966 N/A ASN 415.A N GLU 411.A O no hydrogen 2.931 N/A TRP 416.A N ARG 412.A O no hydrogen 2.860 N/A MET 417.A N MET 413.A O no hydrogen 2.900 N/A VAL 418.A N PHE 414.A O no hydrogen 2.953 N/A THR 419.A N ASN 415.A O no hydrogen 2.915 N/A THR 419.A OG1 ASN 415.A O no hydrogen 3.226 N/A THR 419.A OG1 TRP 416.A O no hydrogen 2.310 N/A ARG 420.A N TRP 416.A O no hydrogen 2.856 N/A ARG 420.A NH1 ARG 420.A O no hydrogen 3.546 N/A ARG 420.A NH2 GLY 318.A O no hydrogen 3.244 N/A ILE 421.A N MET 417.A O no hydrogen 2.995 N/A ASN 422.A N VAL 418.A O no hydrogen 2.906 N/A ALA 423.A N THR 419.A O no hydrogen 2.858 N/A THR 424.A N ARG 420.A O no hydrogen 2.937 N/A THR 424.A OG1 ARG 420.A O no hydrogen 3.154 N/A LEU 425.A N ILE 421.A O no hydrogen 2.878 N/A GLU 426.A N ASN 422.A O no hydrogen 2.770 N/A THR 427.A OG1 LEU 425.A O no hydrogen 3.434 N/A LYS 428.A NZ GLU 426.A OE1 no hydrogen 3.064 N/A GLN 432.A N PHE 230.A O no hydrogen 2.528 N/A ILE 435.A N ILE 228.A O no hydrogen 2.924 N/A GLY 436.A N GLN 168.A O no hydrogen 2.895 N/A VAL 437.A N ILE 226.A O no hydrogen 2.871 N/A LEU 438.A N ILE 170.A O no hydrogen 2.883 N/A ASP 439.A N LYS 224.A O no hydrogen 2.901 N/A ILE 440.A N ILE 172.A O no hydrogen 2.968 N/A GLU 444.A N GLU 444.A OE1 no hydrogen 2.794 N/A ASN 449.A ND2 ASP 565.A O no hydrogen 2.784 N/A PHE 451.A N SER 450.A OG no hydrogen 2.580 N/A GLU 452.A N GLU 452.A OE1 no hydrogen 2.755 N/A LEU 454.A N SER 450.A O no hydrogen 2.760 N/A CYS 455.A N PHE 451.A O no hydrogen 2.909 N/A CYS 455.A SG PHE 451.A O no hydrogen 3.526 N/A ILE 456.A N GLU 452.A O no hydrogen 2.980 N/A ASN 457.A N GLN 453.A O no hydrogen 2.851 N/A ASN 457.A ND2 GLU 444.A O no hydrogen 3.247 N/A PHE 458.A N LEU 454.A O no hydrogen 2.891 N/A THR 459.A N CYS 455.A O no hydrogen 2.962 N/A THR 459.A OG1 CYS 455.A O no hydrogen 3.051 N/A ASN 460.A N ILE 456.A O no hydrogen 2.915 N/A ASN 460.A ND2 ALA 441.A O no hydrogen 3.374 N/A GLU 461.A N ASN 457.A O no hydrogen 2.831 N/A LYS 462.A N PHE 458.A O no hydrogen 2.939 N/A LYS 462.A NZ GLU 503.A OE1 no hydrogen 2.908 N/A LEU 463.A N THR 459.A O no hydrogen 2.951 N/A GLN 464.A N ASN 460.A O no hydrogen 2.881 N/A GLN 465.A N GLU 461.A O no hydrogen 2.904 N/A PHE 466.A N LYS 462.A O no hydrogen 2.932 N/A PHE 467.A N LEU 463.A O no hydrogen 2.918 N/A ASN 468.A N GLN 464.A O no hydrogen 2.905 N/A HIS 469.A N GLN 465.A O no hydrogen 2.908 N/A HIS 470.A N PHE 466.A O no hydrogen 2.914 N/A MET 471.A N PHE 467.A O no hydrogen 2.949 N/A PHE 472.A N ASN 468.A O no hydrogen 2.911 N/A VAL 473.A N HIS 469.A O no hydrogen 2.897 N/A LEU 474.A N HIS 470.A O no hydrogen 2.926 N/A GLU 475.A N MET 471.A O no hydrogen 2.929 N/A GLN 476.A N PHE 472.A O no hydrogen 2.891 N/A GLU 477.A N VAL 473.A O no hydrogen 2.905 N/A GLU 478.A N LEU 474.A O no hydrogen 2.944 N/A TYR 479.A N GLU 475.A O no hydrogen 2.902 N/A LYS 480.A N GLN 476.A O no hydrogen 2.892 N/A LYS 481.A N GLU 477.A O no hydrogen 2.912 N/A LYS 481.A NZ GLU 478.A OE2 no hydrogen 3.473 N/A GLU 482.A N GLU 478.A O no hydrogen 2.920 N/A GLY 483.A N LYS 480.A O no hydrogen 3.142 N/A ILE 484.A N TYR 479.A O no hydrogen 3.176 N/A THR 487.A OG1 TRP 486.A O no hydrogen 2.494 N/A GLY 492.A N ASP 490.A OD2 no hydrogen 2.486 N/A LEU 495.A N GLY 492.A O no hydrogen 2.837 N/A CYS 498.A SG GLU 461.A OE2 no hydrogen 3.181 N/A CYS 498.A SG ILE 558.A O no hydrogen 3.143 N/A ASP 500.A N GLN 496.A O no hydrogen 2.879 N/A LEU 501.A N ALA 497.A O no hydrogen 2.929 N/A ILE 502.A N CYS 498.A O no hydrogen 2.911 N/A ILE 502.A N ILE 499.A O no hydrogen 3.057 N/A GLU 503.A N ILE 499.A O no hydrogen 2.916 N/A GLY 507.A N LYS 504.A O no hydrogen 2.742 N/A ILE 508.A N LEU 501.A O no hydrogen 3.050 N/A MET 509.A N ILE 502.A O no hydrogen 3.355 N/A SER 510.A OG GLY 507.A O no hydrogen 2.901 N/A ILE 511.A N GLY 507.A O no hydrogen 2.759 N/A LEU 512.A N ILE 508.A O no hydrogen 2.920 N/A GLU 513.A N MET 509.A O no hydrogen 2.897 N/A GLU 514.A N SER 510.A O no hydrogen 2.904 N/A GLU 515.A N ILE 511.A O no hydrogen 2.923 N/A CYS 516.A N LEU 512.A O no hydrogen 2.943 N/A CYS 516.A SG LEU 512.A O no hydrogen 3.373 N/A CYS 516.A SG ASN 575.A OD1 no hydrogen 3.075 N/A PHE 518.A N GLU 515.A O no hydrogen 3.020 N/A PHE 526.A N THR 522.A O no hydrogen 2.930 N/A LYS 527.A N ASP 523.A O no hydrogen 2.917 N/A ALA 528.A N MET 524.A O no hydrogen 2.923 N/A LYS 529.A N THR 525.A O no hydrogen 2.889 N/A LYS 529.A NZ GLU 515.A OE1 no hydrogen 3.121 N/A LYS 529.A NZ GLU 515.A OE2 no hydrogen 3.273 N/A LEU 530.A N PHE 526.A O no hydrogen 2.920 N/A PHE 531.A N LYS 527.A O no hydrogen 2.927 N/A ASP 532.A N ALA 528.A O no hydrogen 2.899 N/A ASN 533.A N LYS 529.A O no hydrogen 2.907 N/A HIS 534.A N LEU 530.A O no hydrogen 2.908 N/A HIS 534.A NE2 MET 506.A O no hydrogen 2.689 N/A LEU 535.A N PHE 531.A O no hydrogen 2.804 N/A LYS 537.A NZ ASP 532.A O no hydrogen 2.607 N/A LYS 537.A NZ LEU 535.A O no hydrogen 3.266 N/A SER 538.A N HIS 534.A O no hydrogen 3.160 N/A SER 538.A OG HIS 534.A O no hydrogen 2.880 N/A LYS 550.A N ILE 547.A O no hydrogen 3.114 N/A LYS 550.A NZ ASP 447.A O no hydrogen 3.020 N/A HIS 554.A N TYR 566.A O no hydrogen 3.173 N/A LEU 557.A N VAL 564.A O no hydrogen 2.865 N/A HIS 559.A N GLY 562.A O no hydrogen 3.233 N/A HIS 559.A ND1 GLU 461.A OE1 no hydrogen 3.113 N/A HIS 559.A NE2 TYR 566.A OH no hydrogen 2.390 N/A TYR 560.A OH CYS 648.A O no hydrogen 2.972 N/A VAL 564.A N LEU 557.A O no hydrogen 2.921 N/A TYR 566.A N PHE 555.A O no hydrogen 2.923 N/A TYR 566.A OH ASN 457.A OD1 no hydrogen 3.202 N/A TYR 566.A OH HIS 559.A NE2 no hydrogen 2.390 N/A ILE 568.A N HIS 554.A ND1 no hydrogen 3.197 N/A ILE 568.A N ASN 567.A OD1 no hydrogen 2.328 N/A ILE 569.A N ASN 567.A OD1 no hydrogen 2.910 N/A GLY 570.A N ASP 523.A OD2 no hydrogen 3.264 N/A TRP 571.A N ILE 568.A O no hydrogen 3.067 N/A LYS 574.A N GLY 570.A O no hydrogen 3.057 N/A LYS 574.A N TRP 571.A O no hydrogen 3.015 N/A LYS 574.A NZ SER 450.A OG no hydrogen 3.117 N/A LYS 574.A NZ GLU 452.A OE1 no hydrogen 2.470 N/A LYS 574.A NZ GLU 452.A OE2 no hydrogen 3.356 N/A ASN 575.A N LEU 572.A O no hydrogen 3.236 N/A ASN 575.A ND2 SER 601.A OG no hydrogen 2.962 N/A LYS 576.A N LEU 572.A O no hydrogen 3.286 N/A ASN 580.A ND2 GLY 376.A O no hydrogen 3.579 N/A THR 582.A N ASN 580.A OD1 no hydrogen 3.191 N/A GLY 585.A N GLU 581.A O no hydrogen 2.973 N/A LEU 586.A N THR 582.A O no hydrogen 2.924 N/A TYR 587.A N VAL 583.A O no hydrogen 2.894 N/A GLN 588.A N VAL 584.A O no hydrogen 2.916 N/A GLN 588.A NE2 LEU 598.A O no hydrogen 2.609 N/A LYS 589.A N LEU 586.A O no hydrogen 3.012 N/A SER 590.A OG TYR 587.A O no hydrogen 2.499 N/A LEU 595.A N LEU 592.A O no hydrogen 3.453 N/A SER 596.A N LYS 593.A O no hydrogen 2.899 N/A SER 596.A OG LYS 593.A O no hydrogen 2.538 N/A THR 597.A N LYS 593.A O no hydrogen 3.294 N/A LEU 598.A N LEU 594.A O no hydrogen 3.086 N/A THR 599.A OG1 GLU 513.A OE2 no hydrogen 2.667 N/A VAL 600.A N ASN 575.A O no hydrogen 3.362 N/A SER 601.A OG GLU 513.A OE2 no hydrogen 2.509 N/A LEU 603.A N THR 599.A O no hydrogen 3.204 N/A HIS 604.A N VAL 600.A O no hydrogen 2.904 N/A ARG 605.A N SER 601.A O no hydrogen 2.873 N/A GLU 606.A N ALA 602.A O no hydrogen 2.919 N/A ASN 607.A N LEU 603.A O no hydrogen 2.908 N/A LEU 608.A N HIS 604.A O no hydrogen 2.874 N/A ASN 609.A N ARG 605.A O no hydrogen 2.892 N/A ASN 609.A ND2 ARG 605.A O no hydrogen 2.355 N/A LYS 610.A N GLU 606.A O no hydrogen 2.914 N/A LEU 611.A N ASN 607.A O no hydrogen 2.904 N/A MET 612.A N LEU 608.A O no hydrogen 2.884 N/A THR 613.A N ASN 609.A O no hydrogen 2.902 N/A ASN 614.A N LYS 610.A O no hydrogen 2.928 N/A ASN 614.A ND2 TYR 244.A OH no hydrogen 3.508 N/A LEU 615.A N LEU 611.A O no hydrogen 2.882 N/A ARG 616.A N MET 612.A O no hydrogen 2.888 N/A SER 617.A OG ASN 614.A O no hydrogen 2.676 N/A THR 618.A N LEU 615.A O no hydrogen 2.874 N/A THR 618.A OG1 SER 169.A OG no hydrogen 2.759 N/A THR 618.A OG1 LEU 615.A O no hydrogen 2.838 N/A HIS 619.A N ASN 167.A O no hydrogen 3.201 N/A VAL 623.A N LEU 171.A O no hydrogen 3.023 N/A ARG 624.A N CYS 118.A O no hydrogen 3.171 N/A ARG 624.A NE ASN 649.A O no hydrogen 3.342 N/A ARG 624.A NH1 VAL 623.A O no hydrogen 3.120 N/A ILE 626.A N THR 120.A O no hydrogen 3.223 N/A ASN 629.A ND2 SER 633.A O no hydrogen 2.535 N/A LYS 632.A NZ TYR 124.A OH no hydrogen 3.279 N/A ASP 638.A N PRO 628.A O no hydrogen 3.135 N/A LEU 641.A N ASP 638.A OD2 no hydrogen 2.594 N/A VAL 642.A N ASP 638.A O no hydrogen 3.047 N/A MET 643.A N ASN 639.A O no hydrogen 2.908 N/A HIS 644.A N PRO 640.A O no hydrogen 2.890 N/A GLN 645.A N LEU 641.A O no hydrogen 2.938 N/A LEU 646.A N VAL 642.A O no hydrogen 2.859 N/A ARG 647.A N MET 643.A O no hydrogen 2.908 N/A ARG 647.A NE GLU 94.A OE2 no hydrogen 2.439 N/A CYS 648.A N HIS 644.A O no hydrogen 2.911 N/A CYS 648.A SG PHE 443.A O no hydrogen 3.273 N/A CYS 648.A SG HIS 644.A O no hydrogen 3.344 N/A ASN 649.A N GLN 645.A O no hydrogen 2.887 N/A ASN 649.A ND2 GLN 645.A O no hydrogen 2.999 N/A GLY 650.A N LEU 646.A O no hydrogen 3.210 N/A GLY 650.A N ARG 647.A O no hydrogen 3.301 N/A GLY 654.A N GLY 650.A O no hydrogen 3.326 N/A ILE 655.A N VAL 651.A O no hydrogen 2.956 N/A ARG 656.A N LEU 652.A O no hydrogen 2.891 N/A ILE 657.A N GLU 653.A O no hydrogen 2.880 N/A CYS 658.A N GLY 654.A O no hydrogen 2.945 N/A CYS 658.A SG GLY 654.A O no hydrogen 3.386 N/A ARG 659.A N ILE 655.A O no hydrogen 2.877 N/A ARG 659.A NH1 LEU 89.A O no hydrogen 3.286 N/A ARG 659.A NH2 LEU 89.A O no hydrogen 2.795 N/A LYS 660.A N ILE 657.A O no hydrogen 3.150 N/A ARG 665.A NH2 GLU 475.A OE2 no hydrogen 3.444 N/A ILE 666.A N VAL 707.A O no hydrogen 2.990 N/A TYR 668.A N THR 705.A O no hydrogen 3.104 N/A PHE 671.A N LEU 667.A O no hydrogen 2.862 N/A ARG 672.A N TYR 668.A O no hydrogen 2.907 N/A GLN 673.A N GLY 669.A O no hydrogen 2.903 N/A ARG 674.A N PHE 671.A O no hydrogen 3.216 N/A TYR 675.A N PHE 671.A O no hydrogen 2.891 N/A LEU 678.A N TYR 675.A O no hydrogen 3.405 N/A GLU 687.A N ARG 683.A O no hydrogen 2.951 N/A LYS 688.A N LYS 684.A O no hydrogen 2.916 N/A LEU 689.A N GLY 685.A O no hydrogen 2.893 N/A LEU 690.A N ALA 686.A O no hydrogen 2.900 N/A SER 691.A N GLU 687.A O no hydrogen 2.890 N/A SER 691.A OG GLU 687.A O no hydrogen 3.365 N/A SER 691.A OG LYS 688.A O no hydrogen 2.707 N/A SER 692.A N LYS 688.A O no hydrogen 2.925 N/A SER 692.A OG LYS 688.A O no hydrogen 3.121 N/A SER 692.A OG LEU 689.A O no hydrogen 3.008 N/A LEU 693.A N LEU 690.A O no hydrogen 3.392 N/A HIS 697.A ND1 TYR 700.A OH no hydrogen 2.388 N/A TYR 700.A OH HIS 697.A ND1 no hydrogen 2.388 N/A LYS 701.A N PHE 708.A O no hydrogen 2.967 N/A HIS 704.A ND1 THR 705.A OG1 no hydrogen 3.220 N/A HIS 704.A NE2 GLU 482.A O no hydrogen 2.359 N/A THR 705.A OG1 HIS 704.A ND1 no hydrogen 3.220 N/A VAL 707.A N ILE 666.A O no hydrogen 2.840 N/A PHE 708.A N LYS 701.A O no hydrogen 3.376 N/A PHE 709.A N ASN 664.A O no hydrogen 3.269 N/A LEU 714.A N LYS 710.A O no hydrogen 3.191 N/A GLY 715.A N ALA 711.A O no hydrogen 2.910 N/A LEU 716.A N GLY 712.A O no hydrogen 3.236 N/A LEU 717.A N LEU 713.A O no hydrogen 2.898 N/A GLU 718.A N LEU 714.A O no hydrogen 2.895 N/A GLU 719.A N GLY 715.A O no hydrogen 2.933 N/A MET 720.A N LEU 716.A O no hydrogen 2.951 N/A ARG 721.A N LEU 717.A O no hydrogen 2.889 N/A ARG 721.A NH2 ARG 674.A O no hydrogen 3.565 N/A ASP 722.A N GLU 718.A O no hydrogen 2.884 N/A GLU 723.A N GLU 719.A O no hydrogen 2.949 N/A ARG 724.A N MET 720.A O no hydrogen 2.905 N/A LEU 725.A N ARG 721.A O no hydrogen 2.892 N/A SER 726.A N ASP 722.A O no hydrogen 2.918 N/A ARG 727.A N GLU 723.A O no hydrogen 2.911 N/A ARG 727.A NH1 GLU 723.A OE1 no hydrogen 2.480 N/A ARG 727.A NH2 GLU 723.A OE1 no hydrogen 2.963 N/A ILE 728.A N ARG 724.A O no hydrogen 2.904 N/A ILE 729.A N LEU 725.A O no hydrogen 2.884 N/A THR 730.A N SER 726.A O no hydrogen 2.913 N/A THR 730.A OG1 SER 726.A O no hydrogen 3.243 N/A THR 730.A OG1 ARG 727.A O no hydrogen 2.350 N/A ARG 731.A N ARG 727.A O no hydrogen 2.901 N/A ILE 732.A N ILE 728.A O no hydrogen 2.893 N/A GLN 733.A N ILE 729.A O no hydrogen 2.905 N/A ALA 734.A N THR 730.A O no hydrogen 2.896 N/A GLN 735.A N ARG 731.A O no hydrogen 2.895 N/A SER 736.A N ILE 732.A O no hydrogen 2.901 N/A SER 736.A OG ILE 732.A O no hydrogen 3.484 N/A SER 736.A OG GLN 733.A O no hydrogen 2.558 N/A ARG 737.A N GLN 733.A O no hydrogen 2.902 N/A GLY 738.A N ALA 734.A O no hydrogen 2.878 N/A VAL 739.A N GLN 735.A O no hydrogen 2.918 N/A LEU 740.A N SER 736.A O no hydrogen 3.311 N/A