Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7kux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N ALA 174.A O no hydrogen 2.891 N/A ASP 9.A N LYS 172.A O no hydrogen 2.949 N/A SER 14.A OG GLU 16.A OE2 no hydrogen 3.466 N/A TRP 18.A N PHE 15.A O no hydrogen 3.195 N/A ALA 19.A N PHE 15.A O no hydrogen 3.325 N/A HIS 23.A ND1 LYS 20.A O no hydrogen 2.865 N/A LYS 30.A NZ ARG 26.A O no hydrogen 3.342 N/A GLY 31.A N LEU 28.A O no hydrogen 3.490 N/A THR 34.A OG1 ASN 33.A OD1 no hydrogen 3.163 N/A THR 34.A OG1 THR 36.A OG1 no hydrogen 2.832 N/A THR 35.A N GLN 705.A O no hydrogen 2.873 N/A THR 35.A OG1 GLN 705.A O no hydrogen 3.099 N/A THR 35.A OG1 ARG 707.A O no hydrogen 3.448 N/A THR 36.A OG1 THR 34.A OG1 no hydrogen 2.832 N/A TRP 37.A N THR 34.A O no hydrogen 3.380 N/A TRP 37.A NE1 LEU 28.A O no hydrogen 3.189 N/A ASN 40.A N THR 36.A O no hydrogen 2.933 N/A LEU 41.A N TRP 37.A O no hydrogen 2.808 N/A HIS 42.A N ILE 38.A O no hydrogen 3.147 N/A ALA 43.A N TRP 39.A O no hydrogen 2.866 N/A ASP 44.A N ASN 40.A O no hydrogen 3.036 N/A ALA 45.A N HIS 42.A O no hydrogen 3.413 N/A SER 50.A OG ASP 47.A O no hydrogen 2.769 N/A HIS 51.A N PHE 48.A O no hydrogen 3.360 N/A HIS 51.A NE2 ASP 44.A O no hydrogen 2.401 N/A ILE 58.A N ASP 54.A O no hydrogen 3.289 N/A SER 59.A N LEU 55.A O no hydrogen 2.892 N/A SER 59.A OG LEU 55.A O no hydrogen 2.551 N/A ARG 60.A N GLU 56.A O no hydrogen 2.969 N/A ARG 60.A NE PRO 175.A O no hydrogen 2.607 N/A ARG 60.A NH2 PRO 175.A O no hydrogen 3.486 N/A LYS 61.A N GLU 57.A O no hydrogen 2.921 N/A LYS 61.A NZ HIS 51.A ND1 no hydrogen 3.187 N/A VAL 62.A N ILE 58.A O no hydrogen 2.898 N/A PHE 63.A N SER 59.A O no hydrogen 2.913 N/A SER 64.A N ARG 60.A O no hydrogen 2.996 N/A SER 64.A OG ARG 60.A O no hydrogen 3.183 N/A SER 64.A OG GLY 166.A O no hydrogen 3.199 N/A ALA 65.A N LYS 61.A O no hydrogen 2.891 N/A HIS 66.A N VAL 62.A O no hydrogen 2.841 N/A PHE 67.A N PHE 63.A O no hydrogen 3.036 N/A GLY 68.A N SER 64.A O no hydrogen 2.922 N/A GLN 69.A N ALA 65.A O no hydrogen 2.904 N/A GLN 69.A NE2 GLN 69.A O no hydrogen 3.097 N/A LEU 70.A N HIS 66.A O no hydrogen 2.891 N/A ALA 71.A N PHE 67.A O no hydrogen 2.896 N/A VAL 72.A N GLY 68.A O no hydrogen 2.956 N/A ILE 73.A N GLN 69.A O no hydrogen 2.918 N/A PHE 74.A N LEU 70.A O no hydrogen 2.885 N/A ILE 75.A N ALA 71.A O no hydrogen 2.892 N/A TRP 76.A N VAL 72.A O no hydrogen 2.903 N/A LEU 77.A N ILE 73.A O no hydrogen 2.864 N/A SER 78.A N PHE 74.A O no hydrogen 2.874 N/A SER 78.A OG PHE 74.A O no hydrogen 2.528 N/A SER 78.A OG ALA 152.A O no hydrogen 3.283 N/A GLY 79.A N ILE 75.A O no hydrogen 2.894 N/A MET 80.A N TRP 76.A O no hydrogen 2.941 N/A TYR 81.A N LEU 77.A O no hydrogen 2.942 N/A PHE 82.A N SER 78.A O no hydrogen 2.861 N/A HIS 83.A N GLY 79.A O no hydrogen 2.856 N/A HIS 83.A ND1 GLY 79.A O no hydrogen 2.819 N/A GLY 84.A N MET 80.A O no hydrogen 3.042 N/A ALA 85.A N TYR 81.A O no hydrogen 2.859 N/A ARG 86.A N PHE 82.A O no hydrogen 2.911 N/A PHE 87.A N HIS 83.A O no hydrogen 3.039 N/A SER 88.A OG GLY 84.A O no hydrogen 2.484 N/A SER 88.A OG GLU 145.A OE1 no hydrogen 3.557 N/A ASN 89.A N SER 103.A O no hydrogen 3.390 N/A ASN 89.A ND2 LYS 101.A O no hydrogen 3.588 N/A ASN 89.A ND2 GLY 121.A O no hydrogen 3.302 N/A TYR 90.A N SER 88.A OG no hydrogen 3.180 N/A TYR 90.A OH ILE 142.A O no hydrogen 2.379 N/A TRP 93.A N ASN 89.A O no hydrogen 2.617 N/A LEU 94.A N TYR 90.A O no hydrogen 2.835 N/A SER 95.A N GLU 91.A O no hydrogen 2.949 N/A SER 95.A OG GLU 91.A O no hydrogen 3.127 N/A LYS 101.A N VAL 120.A O no hydrogen 2.833 N/A SER 103.A N ASN 89.A OD1 no hydrogen 3.391 N/A SER 103.A OG ILE 127.A O no hydrogen 2.888 N/A VAL 107.A N ASN 117.A OD1 no hydrogen 3.042 N/A GLN 113.A NE2 TRP 108.A O no hydrogen 2.479 N/A LEU 116.A N GLN 113.A O no hydrogen 2.929 N/A ASN 117.A N LYS 114.A O no hydrogen 3.350 N/A ASN 117.A ND2 VAL 107.A O no hydrogen 3.106 N/A GLY 118.A N GLY 126.A O no hydrogen 3.380 N/A GLY 126.A N GLY 118.A O no hydrogen 3.439 N/A ILE 127.A N GLN 105.A O no hydrogen 2.609 N/A ILE 129.A N PRO 102.A O no hydrogen 2.720 N/A THR 130.A OG1 SER 378.A OG no hydrogen 3.351 N/A GLN 135.A NE2 TYR 368.A O no hydrogen 3.411 N/A LEU 136.A N GLY 132.A O no hydrogen 3.094 N/A TRP 137.A N PHE 133.A O no hydrogen 2.877 N/A ARG 138.A N PHE 134.A O no hydrogen 2.934 N/A ALA 139.A N GLN 135.A O no hydrogen 2.912 N/A SER 140.A N LEU 136.A O no hydrogen 2.887 N/A SER 140.A OG LEU 136.A O no hydrogen 2.761 N/A GLY 141.A N ARG 138.A O no hydrogen 3.335 N/A ILE 142.A N TRP 137.A O no hydrogen 2.819 N/A THR 143.A N GLN 147.A OE1 no hydrogen 2.798 N/A THR 143.A OG1 GLN 147.A OE1 no hydrogen 3.410 N/A SER 144.A N GLN 147.A OE1 no hydrogen 3.344 N/A GLU 145.A N GLU 91.A OE2 no hydrogen 3.351 N/A TYR 149.A N GLU 145.A O no hydrogen 2.920 N/A THR 150.A N LEU 146.A O no hydrogen 2.882 N/A THR 150.A OG1 LEU 146.A O no hydrogen 2.526 N/A THR 151.A N GLN 147.A O no hydrogen 2.925 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.563 N/A ALA 152.A N LEU 148.A O no hydrogen 2.899 N/A ILE 153.A N TYR 149.A O no hydrogen 2.940 N/A GLY 154.A N THR 150.A O no hydrogen 2.880 N/A GLY 155.A N THR 151.A O no hydrogen 2.866 N/A LEU 156.A N ALA 152.A O no hydrogen 2.936 N/A ILE 157.A N ILE 153.A O no hydrogen 2.938 N/A PHE 158.A N GLY 154.A O no hydrogen 2.903 N/A ALA 159.A N GLY 155.A O no hydrogen 2.810 N/A ALA 160.A N LEU 156.A O no hydrogen 2.957 N/A LEU 161.A N ILE 157.A O no hydrogen 2.912 N/A MET 162.A N PHE 158.A O no hydrogen 2.864 N/A LEU 163.A N ALA 159.A O no hydrogen 2.961 N/A PHE 164.A N ALA 160.A O no hydrogen 2.892 N/A ALA 165.A N LEU 161.A O no hydrogen 2.866 N/A GLY 166.A N MET 162.A O no hydrogen 2.879 N/A TRP 167.A N LEU 163.A O no hydrogen 2.983 N/A TRP 167.A NE1 THR 13.A OG1 no hydrogen 2.798 N/A PHE 168.A N PHE 164.A O no hydrogen 2.828 N/A HIS 169.A N ALA 165.A O no hydrogen 2.881 N/A HIS 169.A ND1 ALA 173.A O no hydrogen 3.065 N/A TYR 170.A N TRP 167.A O no hydrogen 3.467 N/A HIS 171.A N TRP 167.A O no hydrogen 2.915 N/A LYS 172.A N PHE 168.A O no hydrogen 3.159 N/A LYS 172.A NZ ASP 9.A OD1 no hydrogen 3.170 N/A ALA 173.A N PHE 168.A O no hydrogen 2.761 N/A ALA 174.A N GLU 7.A O no hydrogen 2.958 N/A LYS 176.A N MET 5.A O no hydrogen 2.816 N/A LEU 177.A N GLU 56.A OE2 no hydrogen 3.093 N/A TRP 179.A N LYS 176.A O no hydrogen 3.236 N/A GLN 181.A N LEU 177.A O no hydrogen 3.061 N/A GLN 181.A NE2 THR 335.A O no hydrogen 3.376 N/A ASN 182.A N TRP 179.A O no hydrogen 3.470 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.905 N/A MET 186.A N ASN 182.A O no hydrogen 3.173 N/A LEU 187.A N VAL 183.A O no hydrogen 2.927 N/A ASN 188.A N GLU 184.A O no hydrogen 2.897 N/A ASN 188.A ND2 TYR 301.A O no hydrogen 2.875 N/A HIS 189.A N SER 185.A O no hydrogen 2.899 N/A HIS 189.A ND1 SER 185.A O no hydrogen 2.385 N/A HIS 190.A N MET 186.A O no hydrogen 2.894 N/A LEU 191.A N LEU 187.A O no hydrogen 2.920 N/A ALA 192.A N ASN 188.A O no hydrogen 3.242 N/A LEU 195.A N HIS 190.A O no hydrogen 2.824 N/A LEU 197.A N ALA 192.A O no hydrogen 2.812 N/A GLY 198.A N LEU 194.A O no hydrogen 3.110 N/A SER 199.A N LEU 195.A O no hydrogen 3.428 N/A SER 199.A OG LEU 195.A O no hydrogen 2.518 N/A LEU 200.A N GLY 196.A O no hydrogen 2.917 N/A ALA 201.A N LEU 197.A O no hydrogen 2.849 N/A TRP 202.A N GLY 198.A O no hydrogen 2.947 N/A ALA 203.A N SER 199.A O no hydrogen 2.842 N/A GLY 204.A N LEU 200.A O no hydrogen 2.903 N/A HIS 205.A N ALA 201.A O no hydrogen 2.962 N/A HIS 205.A NE2 SER 140.A O no hydrogen 2.655 N/A GLN 206.A N TRP 202.A O no hydrogen 2.879 N/A VAL 207.A N ALA 203.A O no hydrogen 2.861 N/A HIS 208.A N GLY 204.A O no hydrogen 2.987 N/A VAL 209.A N HIS 205.A O no hydrogen 2.735 N/A SER 210.A N HIS 205.A O no hydrogen 3.011 N/A SER 210.A OG ALA 139.A O no hydrogen 2.804 N/A ASN 214.A N SER 210.A O no hydrogen 2.913 N/A ASN 214.A ND2 ARG 138.A O no hydrogen 2.485 N/A ASN 214.A ND2 SER 210.A O no hydrogen 3.089 N/A ARG 215.A N LEU 211.A O no hydrogen 2.895 N/A LEU 216.A N PRO 212.A O no hydrogen 2.921 N/A LEU 217.A N ILE 213.A O no hydrogen 2.873 N/A ASP 218.A N ASN 214.A O no hydrogen 3.239 N/A ASP 218.A N ARG 215.A O no hydrogen 3.273 N/A ALA 219.A N LEU 216.A O no hydrogen 3.209 N/A VAL 221.A N LEU 216.A O no hydrogen 3.351 N/A LYS 224.A NZ GLU 91.A OE2 no hydrogen 2.859 N/A GLU 225.A N ASP 222.A O no hydrogen 3.068 N/A ILE 226.A N ASP 222.A O no hydrogen 3.068 N/A LEU 228.A N GLU 231.A OE2 no hydrogen 3.290 N/A GLU 231.A N LEU 228.A O no hydrogen 3.007 N/A LEU 234.A N HIS 230.A O no hydrogen 2.887 N/A ASN 235.A N GLU 231.A O no hydrogen 2.857 N/A ASP 237.A N ASN 235.A OD1 no hydrogen 3.187 N/A LEU 238.A N ASN 235.A OD1 no hydrogen 3.320 N/A ALA 240.A N ARG 236.A O no hydrogen 2.846 N/A GLN 241.A N ASP 237.A O no hydrogen 2.919 N/A TYR 243.A N LEU 239.A O no hydrogen 3.302 N/A PHE 246.A N TYR 243.A O no hydrogen 3.212 N/A SER 247.A N PRO 244.A O no hydrogen 2.966 N/A SER 247.A OG PRO 244.A O no hydrogen 2.527 N/A PHE 253.A N LEU 250.A O no hydrogen 3.396 N/A THR 255.A OG1 THR 251.A O no hydrogen 2.418 N/A ASN 257.A N PRO 252.A O no hydrogen 2.915 N/A TRP 258.A NE1 PHE 253.A O no hydrogen 3.147 N/A GLU 260.A N ASN 257.A O no hydrogen 3.137 N/A TYR 261.A N TRP 258.A O no hydrogen 2.902 N/A SER 262.A N SER 259.A O no hydrogen 2.930 N/A SER 262.A OG SER 259.A O no hydrogen 2.367 N/A LEU 265.A N TYR 261.A O no hydrogen 2.970 N/A THR 266.A OG1 THR 281.A OG1 no hydrogen 2.448 N/A THR 266.A OG1 ASP 282.A OD1 no hydrogen 2.603 N/A ARG 268.A N ASP 282.A OD1 no hydrogen 3.315 N/A GLY 269.A N ASP 282.A OD2 no hydrogen 2.679 N/A ASN 272.A N GLY 277.A O no hydrogen 2.810 N/A ASN 272.A ND2 ASP 218.A OD2 no hydrogen 2.764 N/A VAL 274.A N ASN 272.A OD1 no hydrogen 3.483 N/A GLY 276.A N ASN 272.A O no hydrogen 2.652 N/A GLY 277.A N THR 275.A OG1 no hydrogen 3.170 N/A LEU 278.A N PRO 364.A O no hydrogen 2.719 N/A THR 281.A OG1 THR 266.A OG1 no hydrogen 2.448 N/A THR 281.A OG1 ASP 282.A OD1 no hydrogen 3.233 N/A THR 283.A N TRP 279.A O no hydrogen 3.050 N/A THR 283.A OG1 TRP 279.A O no hydrogen 2.675 N/A ALA 284.A N LEU 280.A O no hydrogen 2.976 N/A HIS 285.A N THR 281.A O no hydrogen 3.031 N/A HIS 286.A N ASP 282.A O no hydrogen 2.771 N/A HIS 287.A N THR 283.A O no hydrogen 3.053 N/A HIS 287.A ND1 GLN 206.A OE1 no hydrogen 2.697 N/A LEU 288.A N ALA 284.A O no hydrogen 2.996 N/A ALA 289.A N HIS 285.A O no hydrogen 2.923 N/A ILE 290.A N HIS 286.A O no hydrogen 2.933 N/A VAL 292.A N LEU 288.A O no hydrogen 2.967 N/A PHE 294.A N ILE 290.A O no hydrogen 2.896 N/A LEU 295.A N ALA 291.A O no hydrogen 2.932 N/A ALA 297.A N LEU 293.A O no hydrogen 2.968 N/A GLY 298.A N PHE 294.A O no hydrogen 2.891 N/A HIS 299.A N VAL 296.A O no hydrogen 3.205 N/A HIS 299.A ND1 LEU 295.A O no hydrogen 2.488 N/A TYR 301.A N ASN 188.A OD1 no hydrogen 3.256 N/A ARG 302.A N HIS 309.A O no hydrogen 2.830 N/A ARG 302.A NE SER 310.A OG no hydrogen 3.172 N/A ARG 302.A NH2 SER 310.A OG no hydrogen 3.011 N/A THR 303.A OG1 ASN 304.A OD1 no hydrogen 3.070 N/A ASN 304.A N THR 303.A OG1 no hydrogen 2.508 N/A ILE 307.A N PHE 305.A O no hydrogen 2.998 N/A HIS 309.A ND1 MET 300.A O no hydrogen 2.638 N/A MET 311.A N GLU 184.A OE2 no hydrogen 3.230 N/A LYS 312.A NZ GLU 332.A OE2 no hydrogen 3.074 N/A GLU 313.A N SER 310.A O no hydrogen 3.008 N/A ILE 314.A N SER 310.A O no hydrogen 3.156 N/A LEU 315.A N MET 311.A O no hydrogen 2.902 N/A GLU 316.A N LYS 312.A O no hydrogen 2.881 N/A HIS 318.A N LEU 315.A O no hydrogen 2.792 N/A HIS 318.A ND1 ILE 314.A O no hydrogen 2.417 N/A THR 323.A N GLY 320.A O no hydrogen 3.077 N/A GLY 324.A N GLY 320.A O no hydrogen 2.456 N/A HIS 327.A ND1 HIS 318.A O no hydrogen 3.072 N/A TYR 331.A OH GLU 184.A OE1 no hydrogen 2.849 N/A TYR 331.A OH GLU 184.A OE2 no hydrogen 2.988 N/A ILE 333.A N GLY 329.A O no hydrogen 2.772 N/A LEU 334.A N LEU 330.A O no hydrogen 2.905 N/A THR 335.A OG1 TYR 331.A O no hydrogen 2.661 N/A THR 336.A OG1 GLU 332.A O no hydrogen 2.364 N/A SER 337.A N ILE 333.A O no hydrogen 3.142 N/A SER 337.A OG ASP 405.A OD2 no hydrogen 3.349 N/A TRP 338.A NE1 SER 59.A OG no hydrogen 2.723 N/A HIS 339.A ND1 HIS 397.A ND1 no hydrogen 3.054 N/A ALA 340.A N SER 337.A OG no hydrogen 3.321 N/A GLN 341.A NE2 LEU 334.A O no hydrogen 3.013 N/A LEU 342.A N TRP 338.A O no hydrogen 2.909 N/A ALA 343.A N HIS 339.A O no hydrogen 2.838 N/A ILE 344.A N ALA 340.A O no hydrogen 3.051 N/A ASN 345.A N GLN 341.A O no hydrogen 2.885 N/A LEU 346.A N LEU 342.A O no hydrogen 2.852 N/A ALA 347.A N ALA 343.A O no hydrogen 2.975 N/A MET 348.A N ILE 344.A O no hydrogen 2.972 N/A LEU 349.A N ASN 345.A O no hydrogen 2.867 N/A GLY 350.A N LEU 346.A O no hydrogen 2.896 N/A SER 351.A N ALA 347.A O no hydrogen 2.955 N/A SER 351.A OG ALA 347.A O no hydrogen 2.885 N/A LEU 352.A N MET 348.A O no hydrogen 2.829 N/A THR 353.A N LEU 349.A O no hydrogen 2.885 N/A THR 353.A OG1 LEU 349.A O no hydrogen 2.360 N/A ILE 354.A N GLY 350.A O no hydrogen 3.057 N/A ILE 355.A N SER 351.A O no hydrogen 2.923 N/A VAL 356.A N LEU 352.A O no hydrogen 2.844 N/A ALA 357.A N THR 353.A O no hydrogen 2.982 N/A HIS 358.A N ILE 354.A O no hydrogen 3.091 N/A HIS 359.A N ILE 355.A O no hydrogen 2.834 N/A MET 360.A N ALA 357.A O no hydrogen 3.379 N/A TYR 361.A N ALA 357.A O no hydrogen 3.163 N/A TYR 361.A OH HIS 358.A ND1 no hydrogen 3.264 N/A ALA 362.A N HIS 358.A O no hydrogen 3.104 N/A TYR 368.A N THR 275.A O no hydrogen 3.105 N/A LEU 369.A N TYR 366.A O no hydrogen 3.240 N/A TYR 373.A OH VAL 511.A O no hydrogen 3.246 N/A TYR 373.A OH GLY 610.A O no hydrogen 2.455 N/A THR 375.A N ASP 372.A OD2 no hydrogen 3.350 N/A THR 375.A OG1 ASP 372.A OD2 no hydrogen 2.534 N/A GLN 376.A N ASP 372.A O no hydrogen 3.401 N/A GLN 376.A NE2 MET 360.A O no hydrogen 3.018 N/A LEU 377.A N TYR 373.A O no hydrogen 2.974 N/A SER 378.A N ALA 374.A O no hydrogen 2.959 N/A SER 378.A OG ALA 374.A O no hydrogen 2.692 N/A LEU 379.A N THR 375.A O no hydrogen 2.836 N/A PHE 380.A N GLN 376.A O no hydrogen 3.021 N/A THR 381.A N LEU 377.A O no hydrogen 2.933 N/A THR 381.A OG1 LEU 377.A O no hydrogen 2.366 N/A HIS 382.A N SER 378.A O no hydrogen 2.866 N/A HIS 383.A N LEU 379.A O no hydrogen 3.018 N/A MET 384.A N PHE 380.A O no hydrogen 2.902 N/A TRP 385.A N THR 381.A O no hydrogen 2.989 N/A ILE 386.A N HIS 382.A O no hydrogen 2.940 N/A GLY 387.A N HIS 383.A O no hydrogen 2.885 N/A GLY 388.A N MET 384.A O no hydrogen 2.932 N/A PHE 389.A N TRP 385.A O no hydrogen 2.983 N/A LEU 390.A N ILE 386.A O no hydrogen 2.913 N/A VAL 391.A N GLY 387.A O no hydrogen 2.985 N/A VAL 392.A N GLY 388.A O no hydrogen 3.050 N/A GLY 393.A N PHE 389.A O no hydrogen 2.921 N/A ALA 394.A N LEU 390.A O no hydrogen 2.854 N/A ALA 395.A N VAL 391.A O no hydrogen 3.099 N/A ALA 396.A N VAL 392.A O no hydrogen 2.909 N/A HIS 397.A N GLY 393.A O no hydrogen 2.934 N/A HIS 397.A ND1 HIS 339.A ND1 no hydrogen 3.054 N/A ALA 398.A N ALA 394.A O no hydrogen 2.946 N/A ALA 399.A N ALA 395.A O no hydrogen 2.987 N/A ILE 400.A N ALA 396.A O no hydrogen 2.882 N/A PHE 401.A N HIS 397.A O no hydrogen 2.923 N/A MET 402.A N ALA 398.A O no hydrogen 3.028 N/A VAL 403.A N ALA 399.A O no hydrogen 2.945 N/A ARG 404.A N ILE 400.A O no hydrogen 2.926 N/A ARG 404.A NH1 ASP 47.A OD2 no hydrogen 3.095 N/A ARG 404.A NH2 ASP 47.A OD1 no hydrogen 2.450 N/A ARG 404.A NH2 ASP 47.A OD2 no hydrogen 3.307 N/A ASP 405.A N PHE 401.A O no hydrogen 2.865 N/A THR 409.A OG1 ASP 407.A OD2 no hydrogen 2.762 N/A THR 410.A OG1 ASP 407.A O no hydrogen 3.112 N/A GLN 411.A NE2 GLY 329.A O no hydrogen 3.323 N/A GLN 411.A NE2 THR 410.A OG1 no hydrogen 2.908 N/A ASN 413.A N ASP 417.A OD2 no hydrogen 2.840 N/A ASN 414.A ND2 LYS 328.A O no hydrogen 2.953 N/A ASN 414.A ND2 GLN 411.A OE1 no hydrogen 2.406 N/A ASP 417.A N ASN 414.A OD1 no hydrogen 2.895 N/A ARG 418.A N ASN 414.A O no hydrogen 3.310 N/A ARG 418.A NH1 ASN 413.A OD1 no hydrogen 2.986 N/A ARG 418.A NH2 PHE 322.A O no hydrogen 3.096 N/A VAL 419.A N LEU 415.A O no hydrogen 2.895 N/A LEU 420.A N LEU 416.A O no hydrogen 2.954 N/A ARG 421.A N ASP 417.A O no hydrogen 2.893 N/A ARG 421.A NH1 ASN 413.A OD1 no hydrogen 3.051 N/A HIS 422.A N ARG 418.A O no hydrogen 3.184 N/A HIS 422.A ND1 ARG 418.A O no hydrogen 2.421 N/A ARG 423.A NH1 LEU 545.A O no hydrogen 2.699 N/A ARG 423.A NH2 SER 549.A OG no hydrogen 2.814 N/A ILE 426.A N HIS 422.A O no hydrogen 3.188 N/A ILE 427.A N ARG 423.A O no hydrogen 2.953 N/A SER 428.A N ASP 424.A O no hydrogen 2.876 N/A SER 428.A OG ASP 424.A O no hydrogen 2.749 N/A SER 428.A OG ALA 425.A O no hydrogen 3.032 N/A SER 428.A OG HIS 429.A ND1 no hydrogen 3.122 N/A HIS 429.A N ALA 425.A O no hydrogen 2.948 N/A HIS 429.A ND1 ALA 425.A O no hydrogen 2.349 N/A LEU 430.A N ILE 426.A O no hydrogen 2.919 N/A ASN 431.A N ILE 427.A O no hydrogen 2.823 N/A TRP 432.A N SER 428.A O no hydrogen 2.909 N/A VAL 433.A N HIS 429.A O no hydrogen 2.979 N/A CYS 434.A N LEU 430.A O no hydrogen 2.888 N/A CYS 434.A SG LEU 430.A O no hydrogen 3.143 N/A ILE 435.A N ASN 431.A O no hydrogen 2.974 N/A PHE 436.A N TRP 432.A O no hydrogen 2.890 N/A LEU 437.A N VAL 433.A O no hydrogen 2.888 N/A GLY 438.A N CYS 434.A O no hydrogen 2.867 N/A PHE 439.A N ILE 435.A O no hydrogen 2.968 N/A HIS 440.A N PHE 436.A O no hydrogen 2.893 N/A SER 441.A N LEU 437.A O no hydrogen 2.902 N/A SER 441.A OG LEU 437.A O no hydrogen 2.347 N/A PHE 442.A N GLY 438.A O no hydrogen 2.901 N/A GLY 443.A N GLY 438.A O no hydrogen 3.389 N/A GLY 443.A N PHE 439.A O no hydrogen 2.853 N/A TYR 445.A N SER 441.A O no hydrogen 3.038 N/A TYR 445.A OH SER 630.A O no hydrogen 2.666 N/A ILE 446.A N PHE 442.A O no hydrogen 2.830 N/A HIS 447.A N GLY 443.A O no hydrogen 2.800 N/A HIS 447.A NE2 ASP 459.A O no hydrogen 2.467 N/A ASN 448.A N LEU 444.A O no hydrogen 2.964 N/A ASN 448.A ND2 PHE 461.A O no hydrogen 3.119 N/A ASN 448.A ND2 ILE 631.A O no hydrogen 3.208 N/A ASP 449.A N TYR 445.A O no hydrogen 2.924 N/A THR 450.A N ILE 446.A O no hydrogen 2.843 N/A THR 450.A OG1 ILE 446.A O no hydrogen 2.334 N/A MET 451.A N HIS 447.A O no hydrogen 2.943 N/A SER 452.A N ASN 448.A O no hydrogen 2.899 N/A SER 452.A OG ASN 448.A O no hydrogen 2.776 N/A SER 452.A OG ASP 449.A O no hydrogen 2.999 N/A ALA 453.A N ASP 449.A O no hydrogen 2.907 N/A LEU 454.A N THR 450.A O no hydrogen 2.744 N/A ARG 456.A N MET 451.A O no hydrogen 2.692 N/A ARG 456.A NE ASP 459.A OD2 no hydrogen 2.763 N/A ARG 456.A NH2 ASP 459.A OD2 no hydrogen 2.971 N/A GLN 458.A N GLN 458.A OE1 no hydrogen 2.876 N/A ASP 459.A N ARG 456.A O no hydrogen 3.327 N/A PHE 461.A N ASN 448.A OD1 no hydrogen 2.691 N/A GLN 467.A NE2 ASP 463.A O no hydrogen 2.674 N/A GLN 469.A NE2 ASP 463.A OD1 no hydrogen 2.684 N/A GLN 474.A N PRO 470.A O no hydrogen 2.715 N/A GLN 474.A NE2 GLN 469.A OE1 no hydrogen 2.574 N/A GLN 474.A NE2 LEU 518.A O no hydrogen 2.410 N/A TRP 475.A N PHE 472.A O no hydrogen 3.284 N/A ILE 476.A N PHE 472.A O no hydrogen 2.887 N/A GLN 477.A NE2 THR 498.A O no hydrogen 3.024 N/A GLN 477.A NE2 ILE 516.A O no hydrogen 2.490 N/A THR 479.A N TRP 475.A O no hydrogen 2.836 N/A THR 479.A OG1 TRP 475.A O no hydrogen 2.716 N/A HIS 480.A N ILE 476.A O no hydrogen 2.995 N/A ALA 481.A N ASN 478.A O no hydrogen 3.325 N/A LEU 482.A N ASN 478.A O no hydrogen 2.859 N/A LEU 486.A N ALA 483.A O no hydrogen 3.004 N/A THR 487.A N ALA 483.A O no hydrogen 3.005 N/A THR 487.A OG1 ALA 483.A O no hydrogen 3.432 N/A ALA 488.A N ALA 483.A O no hydrogen 3.285 N/A ALA 491.A N PRO 489.A O no hydrogen 2.530 N/A ALA 493.A N ARG 268.A O no hydrogen 2.861 N/A SER 494.A OG HIS 480.A O no hydrogen 3.078 N/A SER 496.A OG ALA 362.A O no hydrogen 2.723 N/A SER 496.A OG THR 498.A OG1 no hydrogen 2.993 N/A THR 498.A N SER 496.A OG no hydrogen 3.172 N/A THR 498.A OG1 SER 496.A OG no hydrogen 2.993 N/A VAL 507.A N LYS 510.A O no hydrogen 3.207 N/A LYS 510.A N VAL 507.A O no hydrogen 3.316 N/A LYS 510.A NZ THR 371.A O no hydrogen 3.189 N/A LYS 510.A NZ GLY 742.A O no hydrogen 2.414 N/A VAL 511.A N GLY 610.A O no hydrogen 3.114 N/A ALA 512.A N VAL 505.A O no hydrogen 3.303 N/A THR 520.A N ASP 463.A OD1 no hydrogen 3.182 N/A THR 520.A OG1 SER 462.A O no hydrogen 2.899 N/A THR 520.A OG1 ASP 463.A OD1 no hydrogen 2.691 N/A PHE 523.A N GLY 519.A O no hydrogen 3.042 N/A LEU 524.A N THR 520.A O no hydrogen 2.936 N/A VAL 525.A N ALA 521.A O no hydrogen 2.952 N/A HIS 526.A N ASP 522.A O no hydrogen 2.867 N/A HIS 526.A ND1 ASP 522.A O no hydrogen 2.363 N/A HIS 527.A N PHE 523.A O no hydrogen 2.971 N/A HIS 527.A ND1 PHE 523.A O no hydrogen 2.985 N/A ILE 528.A N LEU 524.A O no hydrogen 2.937 N/A HIS 529.A N VAL 525.A O no hydrogen 2.899 N/A ALA 530.A N HIS 526.A O no hydrogen 2.883 N/A PHE 531.A N HIS 527.A O no hydrogen 2.908 N/A THR 532.A N ILE 528.A O no hydrogen 2.866 N/A THR 532.A OG1 ILE 528.A O no hydrogen 2.849 N/A THR 532.A OG1 HIS 529.A O no hydrogen 2.902 N/A ILE 533.A N HIS 529.A O no hydrogen 2.934 N/A HIS 534.A N ALA 530.A O no hydrogen 2.912 N/A VAL 535.A N PHE 531.A O no hydrogen 2.903 N/A THR 536.A N THR 532.A O no hydrogen 2.975 N/A THR 536.A OG1 THR 532.A O no hydrogen 2.550 N/A THR 536.A OG1 TRP 588.A O no hydrogen 3.187 N/A VAL 537.A N ILE 533.A O no hydrogen 2.901 N/A LEU 538.A N HIS 534.A O no hydrogen 2.823 N/A ILE 539.A N VAL 535.A O no hydrogen 2.974 N/A LEU 540.A N THR 536.A O no hydrogen 3.001 N/A LEU 541.A N VAL 537.A O no hydrogen 2.762 N/A LYS 542.A N LEU 538.A O no hydrogen 2.929 N/A LYS 542.A NZ HIS 581.A NE2 no hydrogen 3.084 N/A GLY 543.A N ILE 539.A O no hydrogen 2.951 N/A VAL 544.A N LEU 540.A O no hydrogen 2.967 N/A LEU 545.A N LEU 541.A O no hydrogen 2.894 N/A PHE 546.A N LYS 542.A O no hydrogen 2.907 N/A ARG 548.A NH1 MET 402.A O no hydrogen 3.558 N/A SER 550.A N ILE 553.A O no hydrogen 2.810 N/A SER 550.A OG SER 549.A O no hydrogen 2.892 N/A LYS 556.A NZ PHE 546.A O no hydrogen 2.983 N/A LYS 556.A NZ SER 550.A OG no hydrogen 3.002 N/A LYS 556.A NZ VAL 576.A O no hydrogen 2.853 N/A LEU 559.A N LYS 556.A O no hydrogen 3.261 N/A ARG 562.A NH1 ALA 43.A O no hydrogen 2.755 N/A GLY 567.A N THR 573.A OG1 no hydrogen 2.755 N/A GLY 572.A N GLY 569.A O no hydrogen 2.796 N/A THR 573.A N GLY 567.A O no hydrogen 2.925 N/A THR 573.A OG1 GLY 567.A O no hydrogen 2.367 N/A SER 577.A OG PHE 563.A O no hydrogen 3.484 N/A SER 577.A OG ASP 580.A OD2 no hydrogen 2.587 N/A ASP 580.A N SER 577.A OG no hydrogen 2.905 N/A HIS 581.A N SER 577.A O no hydrogen 3.332 N/A HIS 581.A ND1 SER 577.A O no hydrogen 2.486 N/A VAL 582.A N ALA 578.A O no hydrogen 3.029 N/A PHE 583.A N TRP 579.A O no hydrogen 2.825 N/A LEU 584.A N ASP 580.A O no hydrogen 2.900 N/A GLY 585.A N HIS 581.A O no hydrogen 2.868 N/A LEU 586.A N VAL 582.A O no hydrogen 2.900 N/A TRP 588.A N LEU 584.A O no hydrogen 3.008 N/A MET 589.A N GLY 585.A O no hydrogen 2.798 N/A TYR 590.A N LEU 586.A O no hydrogen 2.943 N/A ASN 591.A N PHE 587.A O no hydrogen 2.920 N/A ALA 592.A N TRP 588.A O no hydrogen 2.899 N/A ILE 593.A N MET 589.A O no hydrogen 2.870 N/A SER 594.A N TYR 590.A O no hydrogen 2.885 N/A SER 594.A OG TYR 590.A O no hydrogen 2.385 N/A SER 594.A OG ASN 591.A O no hydrogen 2.906 N/A VAL 595.A N ASN 591.A O no hydrogen 3.036 N/A VAL 596.A N ALA 592.A O no hydrogen 2.942 N/A ILE 597.A N ILE 593.A O no hydrogen 2.892 N/A PHE 598.A N SER 594.A O no hydrogen 2.940 N/A HIS 599.A N VAL 595.A O no hydrogen 2.872 N/A PHE 600.A N VAL 596.A O no hydrogen 2.911 N/A SER 601.A N ILE 597.A O no hydrogen 2.901 N/A TRP 602.A N PHE 598.A O no hydrogen 2.974 N/A TRP 602.A NE1 ASN 625.A OD1 no hydrogen 3.279 N/A LYS 603.A N HIS 599.A O no hydrogen 2.840 N/A LYS 603.A NZ PRO 517.A O no hydrogen 2.769 N/A LYS 603.A NZ ASP 522.A OD1 no hydrogen 2.594 N/A LYS 603.A NZ ASP 522.A OD2 no hydrogen 3.561 N/A LYS 603.A NZ ASP 607.A OD2 no hydrogen 2.765 N/A MET 604.A N PHE 600.A O no hydrogen 2.971 N/A GLN 605.A N SER 601.A O no hydrogen 2.918 N/A SER 606.A N TRP 602.A O no hydrogen 2.905 N/A SER 606.A OG TRP 602.A O no hydrogen 3.118 N/A SER 606.A OG THR 622.A O no hydrogen 3.081 N/A SER 606.A OG THR 622.A OG1 no hydrogen 2.384 N/A SER 606.A OG ASN 625.A OD1 no hydrogen 2.600 N/A ASP 607.A N LYS 603.A O no hydrogen 2.904 N/A VAL 608.A N MET 604.A O no hydrogen 3.090 N/A TRP 609.A N MET 604.A O no hydrogen 2.430 N/A GLY 610.A N TYR 373.A OH no hydrogen 2.846 N/A SER 611.A N THR 619.A O no hydrogen 2.883 N/A ILE 612.A N GLY 509.A O no hydrogen 3.311 N/A SER 613.A N VAL 617.A O no hydrogen 3.173 N/A ASP 614.A N SER 613.A OG no hydrogen 2.587 N/A THR 619.A N SER 611.A O no hydrogen 2.916 N/A ILE 621.A N GLN 605.A O no hydrogen 3.183 N/A ILE 621.A N TRP 609.A O no hydrogen 3.272 N/A THR 622.A N GLN 605.A O no hydrogen 3.160 N/A THR 622.A OG1 SER 606.A OG no hydrogen 2.384 N/A THR 622.A OG1 THR 622.A O no hydrogen 2.461 N/A THR 622.A OG1 ASN 625.A OD1 no hydrogen 2.871 N/A SER 629.A N ASN 625.A O no hydrogen 2.947 N/A SER 629.A OG ASP 639.A OD1 no hydrogen 2.791 N/A SER 630.A OG PHE 626.A O no hydrogen 2.322 N/A THR 632.A N SER 629.A O no hydrogen 3.370 N/A THR 632.A OG1 SER 629.A O no hydrogen 3.243 N/A ILE 633.A N ASP 449.A OD1 no hydrogen 2.518 N/A ASN 634.A N ASP 449.A OD2 no hydrogen 3.080 N/A GLY 635.A N THR 632.A OG1 no hydrogen 3.221 N/A TRP 636.A N THR 632.A O no hydrogen 3.249 N/A TRP 636.A NE1 SER 630.A O no hydrogen 2.986 N/A LEU 637.A N ILE 633.A O no hydrogen 2.846 N/A ARG 638.A N GLY 635.A O no hydrogen 3.225 N/A ARG 638.A NE ASP 639.A OD1 no hydrogen 3.286 N/A ASP 639.A N GLY 635.A O no hydrogen 2.657 N/A LEU 641.A N TRP 636.A O no hydrogen 2.848 N/A ALA 643.A N ARG 638.A O no hydrogen 2.919 N/A SER 646.A OG ALA 643.A O no hydrogen 2.645 N/A SER 651.A OG VAL 648.A O no hydrogen 3.194 N/A SER 651.A OG LEU 656.A O no hydrogen 2.988 N/A SER 654.A N SER 651.A O no hydrogen 3.235 N/A SER 654.A OG SER 651.A O no hydrogen 2.363 N/A LEU 656.A N SER 654.A OG no hydrogen 3.426 N/A SER 657.A OG SER 654.A O no hydrogen 2.814 N/A TYR 659.A N LEU 656.A O no hydrogen 3.219 N/A LEU 661.A N SER 657.A O no hydrogen 2.925 N/A LEU 662.A N ALA 658.A O no hydrogen 2.881 N/A PHE 663.A N TYR 659.A O no hydrogen 2.836 N/A LEU 664.A N GLY 660.A O no hydrogen 3.008 N/A GLY 665.A N LEU 661.A O no hydrogen 2.836 N/A ALA 666.A N LEU 662.A O no hydrogen 2.806 N/A HIS 667.A N PHE 663.A O no hydrogen 3.033 N/A HIS 667.A ND1 PHE 663.A O no hydrogen 2.483 N/A PHE 668.A N LEU 664.A O no hydrogen 2.930 N/A VAL 669.A N GLY 665.A O no hydrogen 2.914 N/A TRP 670.A N ALA 666.A O no hydrogen 2.978 N/A ALA 671.A N HIS 667.A O no hydrogen 2.945 N/A PHE 672.A N PHE 668.A O no hydrogen 2.814 N/A SER 673.A N VAL 669.A O no hydrogen 2.868 N/A SER 673.A OG TRP 670.A O no hydrogen 2.332 N/A LEU 674.A N TRP 670.A O no hydrogen 3.156 N/A MET 675.A N PHE 672.A O no hydrogen 3.257 N/A LEU 677.A N SER 673.A O no hydrogen 2.890 N/A PHE 678.A N LEU 674.A O no hydrogen 3.338 N/A SER 679.A OG MET 675.A O no hydrogen 2.920 N/A ARG 681.A NE ALA 708.A O no hydrogen 3.376 N/A ARG 681.A NH2 ALA 708.A O no hydrogen 3.473 N/A GLN 685.A N ARG 681.A O no hydrogen 2.829 N/A GLN 685.A NE2 GLN 685.A O no hydrogen 3.292 N/A GLN 685.A NE2 PRO 706.A O no hydrogen 3.654 N/A GLU 686.A N GLY 682.A O no hydrogen 3.014 N/A LEU 687.A N TYR 683.A O no hydrogen 2.962 N/A ILE 688.A N TRP 684.A O no hydrogen 2.870 N/A GLU 689.A N GLN 685.A O no hydrogen 2.862 N/A SER 690.A N GLU 686.A O no hydrogen 3.023 N/A SER 690.A OG GLU 686.A O no hydrogen 3.232 N/A ILE 691.A N LEU 687.A O no hydrogen 3.009 N/A VAL 692.A N ILE 688.A O no hydrogen 2.741 N/A TRP 693.A N GLU 689.A O no hydrogen 2.902 N/A ALA 694.A N SER 690.A O no hydrogen 3.013 N/A HIS 695.A N ILE 691.A O no hydrogen 2.919 N/A HIS 695.A ND1 ILE 691.A O no hydrogen 2.686 N/A ASN 696.A N VAL 692.A O no hydrogen 2.792 N/A LYS 697.A N TRP 693.A O no hydrogen 2.946 N/A LYS 699.A N ASN 696.A O no hydrogen 3.478 N/A VAL 700.A N HIS 695.A O no hydrogen 2.784 N/A GLN 705.A N ASN 33.A O no hydrogen 3.517 N/A ARG 707.A N THR 35.A OG1 no hydrogen 2.578 N/A ARG 707.A NH1 PRO 706.A O no hydrogen 3.270 N/A ARG 707.A NH2 GLN 705.A OE1 no hydrogen 3.089 N/A ALA 708.A N GLN 685.A OE1 no hydrogen 2.622 N/A GLY 714.A N SER 710.A O no hydrogen 2.387 N/A ARG 715.A N ILE 711.A O no hydrogen 2.973 N/A ARG 715.A NH1 PRO 564.A O no hydrogen 3.253 N/A ALA 716.A N VAL 712.A O no hydrogen 2.898 N/A VAL 717.A N GLN 713.A O no hydrogen 2.850 N/A GLY 718.A N GLY 714.A O no hydrogen 2.961 N/A VAL 719.A N ARG 715.A O no hydrogen 2.892 N/A ALA 720.A N ALA 716.A O no hydrogen 2.887 N/A HIS 721.A N VAL 717.A O no hydrogen 2.957 N/A HIS 721.A ND1 VAL 717.A O no hydrogen 2.654 N/A TYR 722.A N GLY 718.A O no hydrogen 2.893 N/A LEU 723.A N VAL 719.A O no hydrogen 2.924 N/A LEU 724.A N ALA 720.A O no hydrogen 2.881 N/A GLY 725.A N HIS 721.A O no hydrogen 2.815 N/A GLY 726.A N TYR 722.A O no hydrogen 2.933 N/A ILE 727.A N LEU 723.A O no hydrogen 2.874 N/A ALA 728.A N LEU 724.A O no hydrogen 2.881 N/A THR 729.A N GLY 725.A O no hydrogen 2.881 N/A THR 729.A OG1 GLY 725.A O no hydrogen 2.290 N/A THR 730.A N GLY 726.A O no hydrogen 3.006 N/A THR 730.A OG1 GLY 726.A O no hydrogen 3.178 N/A TRP 731.A N ILE 727.A O no hydrogen 2.839 N/A ALA 732.A N ALA 728.A O no hydrogen 2.905 N/A PHE 733.A N THR 729.A O no hydrogen 2.950 N/A PHE 734.A N THR 730.A O no hydrogen 2.850 N/A LEU 735.A N TRP 731.A O no hydrogen 2.895 N/A ALA 736.A N ALA 732.A O no hydrogen 2.926 N/A ARG 737.A N PHE 733.A O no hydrogen 2.946 N/A ARG 737.A NE GLN 605.A OE1 no hydrogen 3.387 N/A ARG 737.A NH1 GLN 647.A OE1 no hydrogen 2.784 N/A ILE 738.A N PHE 734.A O no hydrogen 2.944 N/A SER 740.A N ALA 736.A O no hydrogen 2.965 N/A SER 740.A OG ALA 736.A O no hydrogen 2.396 N/A VAL 741.A N ARG 737.A O no hydrogen 2.894 N/A