Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3edy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N LEU 140.A O no hydrogen 2.959 N/A GLN 8.A N GLU 5.A O no hydrogen 3.428 N/A GLN 8.A NE2 ARG 9.A O no hydrogen 2.922 N/A ARG 9.A N SER 312.A O no hydrogen 2.946 N/A ARG 10.A NE PRO 135.A O no hydrogen 2.931 N/A TRP 16.A N PRO 13.A O no hydrogen 3.326 N/A VAL 17.A N VAL 123.A O no hydrogen 2.778 N/A LEU 19.A N HIS 121.A O no hydrogen 2.688 N/A ARG 21.A NH1 GLU 111.A OE2 no hydrogen 2.731 N/A ARG 21.A NH1 PHE 119.A O no hydrogen 3.020 N/A ARG 21.A NH2 GLU 111.A OE1 no hydrogen 3.043 N/A ARG 21.A NH2 GLU 111.A OE2 no hydrogen 3.413 N/A ALA 22.A N PHE 119.A O no hydrogen 2.959 N/A ASP 23.A N GLU 26.A OE2 no hydrogen 3.035 N/A GLU 25.A N ASP 23.A OD1 no hydrogen 3.001 N/A GLU 26.A N ASP 23.A O no hydrogen 3.020 N/A LEU 28.A N LEU 105.A O no hydrogen 2.642 N/A LEU 30.A N CYS 103.A O no hydrogen 3.039 N/A THR 31.A OG1 THR 102.A OG1 no hydrogen 2.885 N/A PHE 32.A N LEU 101.A O no hydrogen 2.862 N/A ALA 33.A N PHE 150.A O no hydrogen 3.073 N/A LEU 34.A N ASP 99.A O no hydrogen 3.014 N/A ARG 35.A N HIS 147.A O no hydrogen 2.771 N/A ARG 35.A NE ASP 149.A OD1 no hydrogen 2.638 N/A ARG 35.A NH1 ALA 145.A O no hydrogen 3.345 N/A ARG 35.A NH2 ALA 145.A O no hydrogen 2.866 N/A ARG 35.A NH2 ASP 149.A OD1 no hydrogen 3.181 N/A GLN 36.A NE2 ASP 99.A OD2 no hydrogen 2.959 N/A GLN 37.A N VAL 70.A O no hydrogen 2.827 N/A ARG 41.A NH1 GLU 44.A OE1 no hydrogen 3.024 N/A LEU 42.A N ASN 38.A O no hydrogen 2.949 N/A SER 43.A N VAL 39.A O no hydrogen 3.006 N/A SER 43.A OG GLU 40.A O no hydrogen 2.711 N/A SER 43.A OG GLU 40.A OE1 no hydrogen 3.509 N/A GLU 44.A N GLU 40.A O no hydrogen 3.112 N/A LEU 45.A N ARG 41.A O no hydrogen 2.982 N/A VAL 46.A N LEU 42.A O no hydrogen 2.944 N/A GLN 47.A N SER 43.A O no hydrogen 3.052 N/A ALA 48.A N GLU 44.A O no hydrogen 3.091 N/A VAL 49.A N LEU 45.A O no hydrogen 2.941 N/A SER 50.A N VAL 46.A O no hydrogen 3.053 N/A SER 50.A OG VAL 46.A O no hydrogen 2.695 N/A SER 53.A N ASP 51.A OD1 no hydrogen 2.824 N/A SER 53.A OG GLN 490.A OE1 no hydrogen 3.278 N/A SER 54.A N ASP 51.A O no hydrogen 2.888 N/A SER 54.A OG ALA 48.A O no hydrogen 3.292 N/A GLN 56.A N SER 54.A OG no hydrogen 2.955 N/A TYR 57.A N SER 54.A O no hydrogen 3.109 N/A GLY 58.A N VAL 49.A O no hydrogen 2.975 N/A LYS 59.A N GLN 56.A O no hydrogen 3.035 N/A TYR 60.A OH PRO 480.A O no hydrogen 2.765 N/A LEU 61.A N ALA 330.A O no hydrogen 2.938 N/A THR 62.A OG1 GLU 64.A OE2 no hydrogen 2.586 N/A ASN 65.A N THR 62.A OG1 no hydrogen 2.879 N/A VAL 66.A N THR 62.A O no hydrogen 2.966 N/A ALA 67.A N LEU 63.A O no hydrogen 2.887 N/A ASP 68.A N GLU 64.A O no hydrogen 2.951 N/A LEU 69.A N ASN 65.A O no hydrogen 3.175 N/A LEU 69.A N VAL 66.A O no hydrogen 3.011 N/A VAL 70.A N VAL 66.A O no hydrogen 2.987 N/A ARG 71.A N ALA 67.A O no hydrogen 3.058 N/A ARG 71.A NE GLN 98.A OE1 no hydrogen 2.794 N/A ARG 71.A NH1 ASP 68.A OD1 no hydrogen 2.912 N/A ARG 71.A NH2 ASP 68.A OD1 no hydrogen 3.322 N/A SER 73.A OG THR 76.A OG1 no hydrogen 3.172 N/A THR 76.A N SER 73.A OG no hydrogen 3.100 N/A THR 76.A OG1 SER 73.A OG no hydrogen 3.172 N/A THR 76.A OG1 HIS 147.A ND1 no hydrogen 3.105 N/A LEU 77.A N SER 73.A O no hydrogen 2.982 N/A HIS 78.A N PRO 74.A O no hydrogen 2.932 N/A THR 79.A N LEU 75.A O no hydrogen 2.930 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.558 N/A VAL 80.A N THR 76.A O no hydrogen 2.983 N/A GLN 81.A N LEU 77.A O no hydrogen 2.925 N/A LYS 82.A N HIS 78.A O no hydrogen 2.982 N/A TRP 83.A N THR 79.A O no hydrogen 3.070 N/A LEU 84.A N VAL 80.A O no hydrogen 2.869 N/A LEU 85.A N GLN 81.A O no hydrogen 2.890 N/A ALA 86.A N LYS 82.A O no hydrogen 3.045 N/A ALA 87.A N TRP 83.A O no hydrogen 3.279 N/A GLY 88.A N LEU 84.A O no hydrogen 3.085 N/A GLY 88.A N LEU 85.A O no hydrogen 2.985 N/A ALA 89.A N LEU 84.A O no hydrogen 2.981 N/A GLN 90.A N TRP 104.A O no hydrogen 2.957 N/A CYS 92.A SG GLN 90.A O no hydrogen 3.895 N/A HIS 93.A N THR 102.A O no hydrogen 2.901 N/A SER 94.A OG PHE 100.A O no hydrogen 2.890 N/A ILE 96.A N SER 293.A O no hydrogen 3.214 N/A THR 97.A OG1 ASP 99.A OD1 no hydrogen 2.735 N/A GLN 98.A N VAL 95.A O no hydrogen 2.630 N/A LEU 101.A N PHE 32.A O no hydrogen 3.099 N/A THR 102.A N HIS 93.A O no hydrogen 2.976 N/A THR 102.A OG1 THR 31.A OG1 no hydrogen 2.885 N/A CYS 103.A N LEU 30.A O no hydrogen 3.216 N/A TRP 104.A N GLN 90.A O no hydrogen 2.854 N/A LEU 105.A N LEU 28.A O no hydrogen 2.812 N/A SER 106.A N GLN 109.A OE1 no hydrogen 3.154 N/A ILE 107.A N GLU 26.A O no hydrogen 2.806 N/A ARG 108.A N PRO 24.A O no hydrogen 2.991 N/A ARG 108.A NH2 GLU 25.A OE2 no hydrogen 2.888 N/A GLN 109.A N SER 106.A OG no hydrogen 2.997 N/A ALA 110.A N SER 106.A O no hydrogen 2.790 N/A GLU 111.A N ILE 107.A O no hydrogen 3.087 N/A GLU 111.A N ARG 108.A O no hydrogen 3.259 N/A LEU 112.A N ARG 108.A O no hydrogen 3.172 N/A LEU 113.A N GLN 109.A O no hydrogen 2.959 N/A LEU 114.A N ALA 110.A O no hydrogen 2.998 N/A ALA 117.A N LEU 114.A O no hydrogen 2.974 N/A GLU 118.A N SER 134.A OG no hydrogen 2.925 N/A PHE 119.A N GLU 111.A OE2 no hydrogen 2.954 N/A HIS 120.A N ARG 133.A O no hydrogen 2.881 N/A HIS 120.A NE2 GLU 118.A OE2 no hydrogen 2.568 N/A HIS 121.A N GLY 20.A O no hydrogen 2.848 N/A HIS 121.A NE2 GLU 26.A OE2 no hydrogen 2.735 N/A TYR 122.A N VAL 131.A O no hydrogen 2.904 N/A VAL 123.A N VAL 17.A O no hydrogen 3.011 N/A GLY 124.A N THR 129.A O no hydrogen 2.961 N/A GLY 125.A N GLY 15.A O no hydrogen 3.246 N/A THR 127.A OG1 GLU 213.A O no hydrogen 3.332 N/A GLU 128.A N GLY 125.A O no hydrogen 3.049 N/A THR 129.A N GLY 124.A O no hydrogen 2.806 N/A VAL 131.A N TYR 122.A O no hydrogen 3.096 N/A VAL 132.A N GLU 280.A O no hydrogen 3.122 N/A ARG 133.A N HIS 120.A O no hydrogen 3.026 N/A ARG 133.A NE ARG 156.A O no hydrogen 2.830 N/A ARG 133.A NH1 VAL 132.A O no hydrogen 2.987 N/A ARG 133.A NH1 GLU 280.A O no hydrogen 2.757 N/A ARG 133.A NH2 ARG 156.A O no hydrogen 3.145 N/A ARG 133.A NH2 GLN 282.A O no hydrogen 3.134 N/A SER 134.A N LEU 154.A O no hydrogen 2.627 N/A SER 134.A OG GLU 118.A O no hydrogen 3.473 N/A SER 134.A OG HIS 136.A O no hydrogen 2.656 N/A HIS 136.A N SER 134.A OG no hydrogen 3.062 N/A TYR 138.A OH GLU 5.A OE1 no hydrogen 2.619 N/A GLN 139.A N PRO 115.A O no hydrogen 2.908 N/A LEU 140.A N TYR 2.A O no hydrogen 2.972 N/A GLN 142.A NE2 SER 1.A O no hydrogen 3.645 N/A LEU 144.A N PRO 141.A O no hydrogen 3.212 N/A ALA 145.A N GLN 142.A O no hydrogen 3.090 N/A HIS 147.A N LEU 144.A O no hydrogen 2.865 N/A HIS 147.A ND1 THR 76.A OG1 no hydrogen 3.105 N/A VAL 148.A N LEU 144.A O no hydrogen 2.924 N/A ASP 149.A N ALA 33.A O no hydrogen 2.703 N/A VAL 151.A N TYR 138.A OH no hydrogen 3.017 N/A GLY 152.A N THR 31.A O no hydrogen 2.779 N/A GLY 153.A N GLU 283.A OE2 no hydrogen 2.737 N/A HIS 155.A ND1 SER 134.A O no hydrogen 2.920 N/A ARG 156.A NE GLU 283.A OE1 no hydrogen 2.880 N/A ARG 156.A NH1 GLU 5.A OE2 no hydrogen 2.990 N/A ARG 156.A NH1 GLN 8.A OE1 no hydrogen 3.003 N/A ARG 156.A NH2 GLU 283.A OE1 no hydrogen 3.470 N/A ARG 164.A N SER 162.A OG no hydrogen 3.004 N/A GLN 165.A NE2 LEU 163.A O no hydrogen 3.438 N/A THR 172.A OG1 GLN 170.A OE1 no hydrogen 3.560 N/A THR 174.A OG1 THR 174.A O no hydrogen 2.501 N/A VAL 181.A N GLY 439.A O no hydrogen 2.586 N/A VAL 185.A N THR 182.A OG1 no hydrogen 3.425 N/A ILE 186.A N THR 182.A O no hydrogen 3.035 N/A ARG 187.A N PRO 183.A O no hydrogen 2.961 N/A ARG 187.A NH1 SER 263.A O no hydrogen 2.881 N/A ARG 187.A NH2 THR 193.A O no hydrogen 2.797 N/A ARG 187.A NH2 ASP 196.A O no hydrogen 3.053 N/A LYS 188.A N SER 184.A O no hydrogen 2.976 N/A ARG 189.A N VAL 185.A O no hydrogen 2.940 N/A ARG 189.A NE GLU 383.A OE1 no hydrogen 2.795 N/A ARG 189.A NH2 GLU 383.A OE1 no hydrogen 2.993 N/A TYR 190.A N ILE 186.A O no hydrogen 2.975 N/A TYR 190.A OH GLU 383.A OE2 no hydrogen 2.728 N/A ASN 191.A N LYS 188.A O no hydrogen 3.143 N/A ASN 191.A ND2 ASN 533.A OD1 no hydrogen 2.641 N/A LEU 192.A N ARG 187.A O no hydrogen 2.885 N/A THR 193.A N ASP 196.A OD2 no hydrogen 2.629 N/A THR 193.A OG1 GLN 195.A OE1 no hydrogen 3.370 N/A GLN 195.A N THR 193.A OG1 no hydrogen 3.086 N/A ASP 196.A N THR 193.A O no hydrogen 2.875 N/A VAL 197.A N GLN 195.A O no hydrogen 2.851 N/A GLY 198.A N ALA 266.A O no hydrogen 2.730 N/A SER 199.A N GLU 471.A OE2 no hydrogen 2.653 N/A SER 199.A OG THR 201.A OG1 no hydrogen 2.437 N/A SER 199.A OG GLU 471.A OE2 no hydrogen 3.053 N/A THR 201.A N SER 199.A OG no hydrogen 3.247 N/A THR 201.A OG1 SER 199.A OG no hydrogen 2.437 N/A ASN 204.A ND2 SER 467.A O no hydrogen 3.091 N/A ASN 204.A ND2 GLU 471.A OE1 no hydrogen 3.209 N/A GLN 206.A N SER 269.A O no hydrogen 2.933 N/A GLN 206.A NE2 LEU 261.A O no hydrogen 3.347 N/A GLN 206.A NE2 GLY 265.A O no hydrogen 3.027 N/A GLN 206.A NE2 THR 270.A OG1 no hydrogen 2.947 N/A CYS 208.A N TRP 271.A O no hydrogen 3.294 N/A CYS 208.A SG TRP 271.A O no hydrogen 3.871 N/A ALA 209.A N THR 303.A O no hydrogen 2.899 N/A GLN 210.A NE2 LEU 212.A O no hydrogen 3.400 N/A LEU 212.A N GLN 210.A OE1 no hydrogen 2.972 N/A GLN 214.A N LEU 212.A O no hydrogen 2.584 N/A GLN 214.A NE2 GLU 253.A OE1 no hydrogen 2.658 N/A TYR 215.A N ARG 249.A O no hydrogen 3.078 N/A PHE 216.A N GLN 244.A OE1 no hydrogen 2.825 N/A HIS 217.A NE2 GLY 248.A O no hydrogen 2.625 N/A ASP 220.A N HIS 217.A O no hydrogen 3.201 N/A LEU 221.A N HIS 217.A O no hydrogen 3.284 N/A ALA 222.A N ASP 218.A O no hydrogen 2.940 N/A GLN 223.A N SER 219.A O no hydrogen 3.020 N/A GLN 223.A NE2 ARG 446.A O no hydrogen 3.227 N/A PHE 224.A N ASP 220.A O no hydrogen 2.762 N/A MET 225.A N LEU 221.A O no hydrogen 2.873 N/A ARG 226.A N ALA 222.A O no hydrogen 3.010 N/A LEU 227.A N GLN 223.A O no hydrogen 2.907 N/A PHE 228.A N PHE 224.A O no hydrogen 2.919 N/A GLY 229.A N MET 225.A O no hydrogen 2.878 N/A HIS 234.A ND1 PHE 232.A O no hydrogen 2.942 N/A GLN 235.A NE2 ASN 267.A OD1 no hydrogen 3.298 N/A SER 237.A OG.B VAL 238.A O no hydrogen 3.209 N/A VAL 238.A N ASP 218.A OD1 no hydrogen 3.285 N/A ALA 239.A N THR 270.A O no hydrogen 2.741 N/A ARG 240.A NH1 GLU 295.A OE1 no hydrogen 3.141 N/A ARG 240.A NH2 GLU 295.A OE1 no hydrogen 3.553 N/A VAL 242.A N VAL 272.A O no hydrogen 2.684 N/A GLN 244.A NE2 PHE 216.A O no hydrogen 3.047 N/A ALA 250.A N ASN 445.A OD1 no hydrogen 2.982 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.702 N/A ALA 254.A N GLN 214.A OE1 no hydrogen 3.032 N/A SER 255.A N ILE 252.A O no hydrogen 3.102 N/A SER 255.A OG GLY 251.A O no hydrogen 2.670 N/A SER 255.A OG VAL 443.A O no hydrogen 3.211 N/A LEU 256.A N ILE 252.A O no hydrogen 2.892 N/A ASP 257.A N GLU 253.A O no hydrogen 3.430 N/A GLN 259.A N SER 255.A O no hydrogen 3.020 N/A GLN 259.A NE2 VAL 443.A O no hydrogen 2.722 N/A TYR 260.A OH VAL 181.A O no hydrogen 2.998 N/A TYR 260.A OH TRP 441.A O no hydrogen 2.666 N/A LEU 261.A N ASP 257.A O no hydrogen 3.012 N/A MET 262.A N VAL 258.A O no hydrogen 3.030 N/A SER 263.A OG GLN 259.A O no hydrogen 2.629 N/A ALA 264.A N TYR 260.A O no hydrogen 3.000 N/A GLY 265.A N LEU 261.A O no hydrogen 2.867 N/A ASN 267.A ND2 GLY 198.A O no hydrogen 2.743 N/A THR 270.A OG1 ILE 268.A O no hydrogen 2.792 N/A TRP 271.A N GLN 206.A O no hydrogen 2.839 N/A VAL 272.A N ARG 240.A O no hydrogen 2.887 N/A TYR 273.A N CYS 208.A O no hydrogen 3.049 N/A SER 274.A N VAL 242.A O no hydrogen 2.998 N/A SER 274.A OG GLN 214.A O no hydrogen 3.492 N/A SER 274.A OG GLN 244.A OE1 no hydrogen 2.543 N/A SER 275.A OG GLY 243.A O no hydrogen 3.289 N/A HIS 279.A NE2 SER 275.A O no hydrogen 2.863 N/A GLN 282.A N HIS 279.A O no hydrogen 2.931 N/A GLN 287.A N GLU 283.A O no hydrogen 2.905 N/A TRP 288.A N PRO 284.A O no hydrogen 3.137 N/A LEU 289.A N PHE 285.A O no hydrogen 2.857 N/A MET 290.A N LEU 286.A O no hydrogen 2.741 N/A LEU 291.A N GLN 287.A O no hydrogen 3.137 N/A LEU 291.A N TRP 288.A O no hydrogen 3.138 N/A LEU 292.A N TRP 288.A O no hydrogen 3.168 N/A SER 293.A N MET 290.A O no hydrogen 3.199 N/A ASN 294.A N LEU 291.A O no hydrogen 2.954 N/A HIS 300.A N SER 205.A O no hydrogen 3.147 N/A HIS 302.A N THR 334.A O no hydrogen 2.904 N/A HIS 302.A NE2 PRO 299.A O no hydrogen 2.722 N/A THR 303.A N ALA 207.A O no hydrogen 2.750 N/A THR 303.A OG1 ALA 207.A O no hydrogen 3.346 N/A VAL 304.A N LEU 336.A O no hydrogen 2.789 N/A SER 305.A N ALA 209.A O no hydrogen 3.146 N/A SER 305.A OG SER 456.A OG no hydrogen 2.552 N/A TYR 306.A OH ASP 308.A OD2 no hydrogen 3.351 N/A ASP 308.A N PHE 359.A O no hydrogen 3.012 N/A GLU 310.A N PRO 357.A O no hydrogen 2.967 N/A SER 312.A N ASP 309.A O no hydrogen 2.969 N/A SER 312.A OG ASP 309.A O no hydrogen 2.676 N/A LEU 313.A N GLU 310.A O no hydrogen 3.333 N/A SER 314.A N GLN 8.A OE1 no hydrogen 3.148 N/A SER 314.A OG GLU 5.A OE2 no hydrogen 2.613 N/A SER 315.A N ASP 7.A OD2 no hydrogen 2.857 N/A TYR 317.A N SER 314.A OG no hydrogen 3.012 N/A ILE 318.A N SER 314.A O no hydrogen 3.035 N/A GLN 319.A N SER 315.A O no hydrogen 2.968 N/A ARG 320.A N ALA 316.A O no hydrogen 3.208 N/A ARG 320.A NE GLU 324.A OE2 no hydrogen 2.755 N/A ARG 320.A NH1 LEU 34.A O no hydrogen 2.879 N/A ARG 320.A NH1 ASP 149.A OD2 no hydrogen 2.985 N/A ARG 320.A NH2 ASP 99.A O no hydrogen 2.970 N/A ARG 320.A NH2 GLU 324.A OE2 no hydrogen 2.997 N/A VAL 321.A N TYR 317.A O no hydrogen 2.799 N/A ASN 322.A N ILE 318.A O no hydrogen 3.035 N/A THR 323.A N GLN 319.A O no hydrogen 3.038 N/A THR 323.A OG1 GLN 319.A O no hydrogen 3.254 N/A GLU 324.A N ARG 320.A O no hydrogen 3.026 N/A LEU 325.A N VAL 321.A O no hydrogen 2.967 N/A MET 326.A N ASN 322.A O no hydrogen 2.936 N/A LYS 327.A N THR 323.A O no hydrogen 2.816 N/A LYS 327.A NZ THR 97.A OG1 no hydrogen 3.350 N/A LYS 327.A NZ ASP 99.A OD1 no hydrogen 3.557 N/A LYS 327.A NZ ASP 99.A OD2 no hydrogen 2.733 N/A LYS 327.A NZ SER 293.A OG no hydrogen 3.019 N/A LYS 327.A NZ GLU 324.A OE1 no hydrogen 2.757 N/A LYS 327.A NZ GLU 324.A OE2 no hydrogen 3.378 N/A ALA 328.A N GLU 324.A O no hydrogen 3.096 N/A ALA 329.A N LEU 325.A O no hydrogen 2.973 N/A ALA 330.A N MET 326.A O no hydrogen 2.886 N/A ARG 331.A N LYS 327.A O no hydrogen 3.327 N/A ARG 331.A N ALA 328.A O no hydrogen 3.130 N/A ARG 331.A NH1 LEU 292.A O no hydrogen 2.863 N/A ARG 331.A NH2 GLU 295.A O no hydrogen 2.983 N/A ARG 331.A NH2 SER 296.A O no hydrogen 3.175 N/A GLY 332.A N ALA 329.A O no hydrogen 3.098 N/A LEU 333.A N ALA 328.A O no hydrogen 3.088 N/A THR 334.A N HIS 300.A O no hydrogen 2.836 N/A THR 334.A OG1 GLY 482.A O no hydrogen 2.626 N/A LEU 336.A N HIS 302.A O no hydrogen 2.975 N/A PHE 337.A N THR 367.A O no hydrogen 3.039 N/A ALA 338.A N VAL 304.A O no hydrogen 3.226 N/A SER 339.A N VAL 369.A O no hydrogen 2.922 N/A SER 339.A OG VAL 369.A O no hydrogen 3.374 N/A SER 339.A OG GLY 390.A O no hydrogen 2.687 N/A GLY 340.A N THR 455.A OG1 no hydrogen 3.156 N/A GLY 343.A N ILE 388.A O no hydrogen 2.938 N/A ALA 344.A N GLU 505.A O no hydrogen 2.863 N/A GLY 345.A N SER 342.A O no hydrogen 2.884 N/A TRP 347.A N GLN 354.A O no hydrogen 2.844 N/A VAL 349.A N ARG 352.A O no hydrogen 2.767 N/A SER 350.A OG VAL 349.A O no hydrogen 2.670 N/A ARG 352.A N VAL 349.A O no hydrogen 2.896 N/A ARG 352.A NH1 SER 350.A OG no hydrogen 3.359 N/A ARG 352.A NH2 SER 421.A O no hydrogen 2.819 N/A HIS 353.A ND1 ASP 509.A OD2 no hydrogen 2.933 N/A GLN 354.A N TRP 347.A O no hydrogen 2.893 N/A GLN 354.A NE2 SER 421.A O no hydrogen 3.502 N/A PHE 355.A N TYR 422.A O no hydrogen 2.783 N/A ARG 356.A N ALA 344.A O no hydrogen 2.820 N/A ARG 356.A NE ASP 311.A OD1 no hydrogen 2.921 N/A ARG 356.A NH2 ASP 311.A OD2 no hydrogen 2.925 N/A THR 358.A N TYR 430.A OH no hydrogen 2.864 N/A PHE 359.A N ASP 308.A O no hydrogen 2.948 N/A SER 362.A N THR 358.A O no hydrogen 2.935 N/A SER 362.A OG GLU 310.A OE2 no hydrogen 2.611 N/A SER 362.A OG THR 358.A O no hydrogen 3.357 N/A SER 363.A N PRO 360.A O no hydrogen 2.800 N/A SER 363.A OG ASN 322.A OD1 no hydrogen 2.690 N/A TYR 365.A N SER 363.A OG no hydrogen 3.020 N/A THR 367.A N LEU 335.A O no hydrogen 3.070 N/A THR 367.A OG1 ASN 485.A OD1 no hydrogen 2.743 N/A THR 368.A N ASP 432.A OD2 no hydrogen 2.839 N/A THR 368.A OG1 ALA 361.A O no hydrogen 2.719 N/A VAL 369.A N PHE 337.A O no hydrogen 2.799 N/A GLY 370.A N VAL 433.A O no hydrogen 2.697 N/A GLY 371.A N SER 389.A OG no hydrogen 2.805 N/A THR 372.A N ALA 435.A O no hydrogen 2.903 N/A THR 372.A OG1 GLU 383.A OE2 no hydrogen 2.671 N/A SER 373.A N ILE 384.A O no hydrogen 2.727 N/A SER 373.A OG VAL 385.A O no hydrogen 3.392 N/A ILE 384.A N SER 373.A O no hydrogen 2.768 N/A VAL 385.A N ARG 501.A O no hydrogen 3.019 N/A ASP 386.A N GLY 371.A O no hydrogen 3.148 N/A SER 389.A N ASP 386.A O no hydrogen 2.787 N/A SER 389.A OG VAL 526.A O no hydrogen 2.688 N/A GLY 390.A N GLY 340.A O no hydrogen 2.896 N/A GLY 391.A N GLY 343.A O no hydrogen 3.396 N/A GLY 392.A N TYR 430.A O no hydrogen 2.840 N/A SER 394.A N ARG 428.A O no hydrogen 2.794 N/A SER 394.A OG GLU 310.A OE1 no hydrogen 3.399 N/A SER 394.A OG GLU 310.A OE2 no hydrogen 2.659 N/A ASN 395.A N GLU 310.A OE1 no hydrogen 2.854 N/A VAL 396.A N SER 394.A OG no hydrogen 2.920 N/A PHE 397.A N SER 394.A OG no hydrogen 2.943 N/A ARG 399.A N SER 426.A O no hydrogen 3.012 N/A ARG 399.A NE GLU 404.A OE1 no hydrogen 2.905 N/A ARG 399.A NH2 GLU 404.A OE1 no hydrogen 2.980 N/A TYR 402.A OH PRO 364.A O no hydrogen 2.783 N/A GLN 403.A N PRO 400.A O no hydrogen 3.178 N/A GLU 404.A N SER 401.A O no hydrogen 3.329 N/A VAL 407.A N GLN 403.A O no hydrogen 3.062 N/A THR 408.A N GLU 404.A O no hydrogen 3.069 N/A THR 408.A OG1 GLU 404.A O no hydrogen 2.864 N/A THR 408.A OG1 GLU 404.A OE2 no hydrogen 3.128 N/A LYS 409.A N GLU 405.A O no hydrogen 2.981 N/A PHE 410.A N ALA 406.A O no hydrogen 3.111 N/A LEU 411.A N VAL 407.A O no hydrogen 2.869 N/A SER 412.A N THR 408.A O no hydrogen 2.997 N/A SER 412.A OG THR 408.A O no hydrogen 2.956 N/A SER 412.A OG LYS 409.A O no hydrogen 2.998 N/A SER 413.A N PHE 410.A O no hydrogen 3.162 N/A SER 413.A OG LYS 409.A O no hydrogen 2.587 N/A SER 413.A OG PHE 410.A O no hydrogen 3.431 N/A SER 414.A N PHE 410.A O no hydrogen 2.796 N/A HIS 416.A N SER 414.A OG no hydrogen 3.380 N/A TYR 422.A N PRO 419.A O no hydrogen 3.039 N/A TYR 422.A OH ASP 509.A OD2 no hydrogen 2.686 N/A PHE 423.A N SER 420.A O no hydrogen 3.405 N/A ASN 424.A ND2 ASN 395.A OD1 no hydrogen 2.984 N/A SER 426.A N ASN 424.A OD1 no hydrogen 3.130 N/A SER 426.A OG ASN 424.A OD1 no hydrogen 2.653 N/A GLY 427.A N ASN 424.A O no hydrogen 3.108 N/A ARG 428.A N PHE 397.A O no hydrogen 2.777 N/A ARG 428.A NE SER 362.A O no hydrogen 3.278 N/A ARG 428.A NE SER 363.A O no hydrogen 2.923 N/A ARG 428.A NH1 ALA 429.A O no hydrogen 2.741 N/A ARG 428.A NH1 ASP 432.A OD1 no hydrogen 2.943 N/A ARG 428.A NH2 SER 363.A O no hydrogen 2.914 N/A ARG 428.A NH2 ASP 432.A OD2 no hydrogen 3.080 N/A TYR 430.A N GLY 392.A O no hydrogen 2.925 N/A ASP 432.A N THR 368.A O no hydrogen 2.849 N/A VAL 433.A N THR 368.A O no hydrogen 3.152 N/A ALA 434.A N GLY 530.A O no hydrogen 3.012 N/A ALA 435.A N GLY 370.A O no hydrogen 3.158 N/A LEU 436.A N TYR 190.A OH no hydrogen 2.815 N/A SER 437.A N THR 372.A O no hydrogen 2.998 N/A SER 437.A OG THR 372.A O no hydrogen 3.174 N/A SER 437.A OG ASP 386.A OD2 no hydrogen 2.617 N/A GLY 439.A N VAL 452.A O no hydrogen 3.178 N/A GLY 439.A N SER 453.A OG no hydrogen 3.266 N/A TYR 440.A N VAL 452.A O no hydrogen 2.762 N/A TYR 440.A OH LEU 436.A O no hydrogen 2.725 N/A TRP 441.A N VAL 181.A O no hydrogen 2.981 N/A TRP 441.A NE1 LEU 179.A O no hydrogen 2.953 N/A VAL 442.A N ILE 449.A O no hydrogen 3.011 N/A VAL 443.A N GLN 259.A OE1 no hydrogen 3.020 N/A SER 444.A N VAL 447.A O no hydrogen 2.989 N/A ASN 445.A N ASP 220.A OD2 no hydrogen 2.786 N/A ASN 445.A ND2 ALA 250.A O no hydrogen 3.191 N/A ARG 446.A N ASP 220.A OD1 no hydrogen 2.801 N/A VAL 447.A N SER 444.A O no hydrogen 3.242 N/A ILE 449.A N VAL 442.A O no hydrogen 2.761 N/A VAL 452.A N TYR 440.A O no hydrogen 3.033 N/A SER 453.A OG ASP 438.A OD1 no hydrogen 3.048 N/A GLY 454.A N SER 437.A O no hydrogen 2.747 N/A THR 455.A N ASP 341.A OD1 no hydrogen 2.836 N/A THR 455.A OG1 GLY 340.A O no hydrogen 3.184 N/A THR 455.A OG1 ASP 341.A OD1 no hydrogen 2.899 N/A SER 456.A OG SER 305.A OG no hydrogen 2.552 N/A ALA 457.A N GLY 454.A O no hydrogen 2.894 N/A SER 458.A OG GLY 370.A O no hydrogen 3.022 N/A SER 458.A OG THR 455.A O no hydrogen 2.952 N/A THR 459.A OG1 THR 455.A O no hydrogen 2.454 N/A PHE 462.A N SER 458.A O no hydrogen 3.032 N/A GLY 463.A N THR 459.A O no hydrogen 3.075 N/A GLY 464.A N PRO 460.A O no hydrogen 2.975 N/A ILE 465.A N VAL 461.A O no hydrogen 3.263 N/A LEU 466.A N PHE 462.A O no hydrogen 3.048 N/A SER 467.A N GLY 463.A O no hydrogen 2.825 N/A SER 467.A OG GLN 206.A OE1 no hydrogen 2.898 N/A LEU 468.A N GLY 464.A O no hydrogen 3.031 N/A ILE 469.A N ILE 465.A O no hydrogen 3.032 N/A ASN 470.A N LEU 466.A O no hydrogen 2.845 N/A GLU 471.A N SER 467.A O no hydrogen 3.003 N/A HIS 472.A N LEU 468.A O no hydrogen 3.242 N/A ARG 473.A N ILE 469.A O no hydrogen 3.018 N/A ARG 473.A NE PRO 479.A O no hydrogen 2.940 N/A ARG 473.A NH1 LEU 541.A O no hydrogen 2.782 N/A ARG 473.A NH1 PRO 544.A OXT no hydrogen 2.725 N/A ARG 473.A NH2 PRO 479.A O no hydrogen 2.949 N/A ARG 473.A NH2 PRO 544.A O no hydrogen 2.949 N/A ARG 473.A NH2 PRO 544.A OXT no hydrogen 3.470 N/A ILE 474.A N ASN 470.A O no hydrogen 2.756 N/A LEU 475.A N GLU 471.A O no hydrogen 2.972 N/A SER 476.A N HIS 472.A O no hydrogen 3.200 N/A SER 476.A OG HIS 472.A O no hydrogen 3.342 N/A SER 476.A OG ARG 473.A O no hydrogen 2.784 N/A GLY 477.A N ILE 474.A O no hydrogen 2.972 N/A ARG 478.A N ARG 473.A O no hydrogen 2.844 N/A ARG 478.A NE LEU 542.A O no hydrogen 2.896 N/A LEU 481.A N ASN 470.A OD1 no hydrogen 2.901 N/A ASN 485.A ND2 VAL 366.A O no hydrogen 2.889 N/A ASN 485.A ND2 TYR 402.A OH no hydrogen 3.130 N/A ASN 485.A ND2 ASP 432.A OD2 no hydrogen 3.176 N/A ARG 487.A NE GLN 491.A OE1 no hydrogen 2.873 N/A ARG 487.A NH1 TYR 57.A OH no hydrogen 2.756 N/A ARG 487.A NH1 PRO 544.A OXT no hydrogen 2.896 N/A ARG 487.A NH2 THR 540.A O no hydrogen 3.385 N/A ARG 487.A NH2 PRO 544.A OXT no hydrogen 3.243 N/A LEU 488.A N LEU 484.A O no hydrogen 3.020 N/A TYR 489.A N ASN 485.A O no hydrogen 2.921 N/A TYR 489.A OH ASP 432.A OD1 no hydrogen 2.599 N/A GLN 490.A N PRO 486.A O no hydrogen 3.002 N/A GLN 490.A NE2 ASP 51.A OD1 no hydrogen 2.876 N/A GLN 491.A N ARG 487.A O no hydrogen 2.854 N/A GLN 491.A NE2 THR 540.A O no hydrogen 3.112 N/A HIS 492.A N TYR 489.A O no hydrogen 2.927 N/A HIS 492.A NE2 GLU 405.A OE2 no hydrogen 3.074 N/A GLY 493.A N LEU 488.A O no hydrogen 2.984 N/A ALA 494.A N GLN 491.A O no hydrogen 3.016 N/A LEU 496.A N GLY 493.A O no hydrogen 3.139 N/A PHE 497.A N THR 531.A O no hydrogen 2.611 N/A HIS 504.A N PHE 517.A O no hydrogen 3.259 N/A HIS 504.A ND1 SER 389.A O no hydrogen 2.850 N/A GLU 505.A N TYR 387.A O no hydrogen 2.842 N/A SER 506.A N GLY 514.A O no hydrogen 2.984 N/A SER 506.A OG GLY 345.A O no hydrogen 2.714 N/A CYS 507.A N SER 506.A OG no hydrogen 2.527 N/A CYS 507.A SG SER 506.A OG no hydrogen 3.755 N/A GLU 511.A N ASP 509.A OD1 no hydrogen 2.845 N/A VAL 512.A N ASP 509.A OD1 no hydrogen 2.868 N/A GLU 513.A N ASP 509.A O no hydrogen 2.887 N/A GLU 513.A N ASP 509.A OD1 no hydrogen 3.426 N/A GLY 514.A N CYS 507.A O no hydrogen 2.701 N/A GLN 515.A N VAL 512.A O no hydrogen 3.011 N/A GLY 516.A N HIS 504.A O no hydrogen 2.786 N/A PHE 517.A N HIS 504.A NE2 no hydrogen 2.843 N/A SER 519.A N GLY 502.A O no hydrogen 2.829 N/A SER 519.A OG GLY 502.A O no hydrogen 2.980 N/A GLY 520.A N ASP 524.A OD2 no hydrogen 3.144 N/A GLY 522.A N ASP 498.A OD2 no hydrogen 2.845 N/A ASP 524.A N GLY 528.A O no hydrogen 3.214 N/A VAL 526.A N ASP 524.A OD1 no hydrogen 3.172 N/A THR 527.A N ASP 524.A OD1 no hydrogen 2.840 N/A THR 527.A OG1 ASP 524.A OD1 no hydrogen 2.736 N/A TRP 529.A N ASP 432.A O no hydrogen 2.905 N/A THR 531.A N PHE 497.A O no hydrogen 3.119 N/A THR 531.A OG1 GLU 383.A OE1 no hydrogen 2.838 N/A ASN 533.A N GLY 495.A O no hydrogen 3.214 N/A PHE 534.A N TYR 190.A O no hydrogen 3.172 N/A LEU 537.A N ASN 533.A O no hydrogen 2.818 N/A LEU 538.A N PHE 534.A O no hydrogen 2.585 N/A LYS 539.A N PRO 535.A O no hydrogen 3.386 N/A THR 540.A N LEU 537.A O no hydrogen 3.029 N/A THR 540.A OG1 LEU 537.A O no hydrogen 2.920 N/A LEU 541.A N LEU 538.A O no hydrogen 3.040 N/A