Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tkt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ILE 265.A O no hydrogen 3.138 N/A ALA 5.A N ARG 249.A O no hydrogen 2.469 N/A ILE 6.A N GLY 263.A O no hydrogen 2.848 N/A VAL 7.A N LEU 247.A O no hydrogen 3.005 N/A ALA 9.A N ALA 245.A O no hydrogen 3.120 N/A ARG 11.A N VAL 243.A O no hydrogen 2.762 N/A ARG 11.A NH2 ASP 65.A O no hydrogen 2.589 N/A ARG 11.A NH2 GLY 66.A O no hydrogen 3.356 N/A TYR 12.A N ALA 15.A O no hydrogen 2.821 N/A ALA 15.A N TYR 12.A O no hydrogen 2.737 N/A THR 20.A N ASP 17.A OD1 no hydrogen 2.945 N/A THR 20.A OG1 ASP 17.A OD1 no hydrogen 2.805 N/A PHE 21.A N ASP 17.A O no hydrogen 3.028 N/A TRP 22.A N LEU 18.A O no hydrogen 2.923 N/A GLU 23.A N ASP 19.A O no hydrogen 3.248 N/A ASN 24.A N THR 20.A O no hydrogen 2.903 N/A ASN 24.A ND2 GLY 14.A O no hydrogen 2.685 N/A LEU 25.A N PHE 21.A O no hydrogen 2.941 N/A LEU 26.A N TRP 22.A O no hydrogen 2.793 N/A ALA 27.A N GLU 23.A O no hydrogen 3.008 N/A GLY 28.A N LEU 25.A O no hydrogen 3.361 N/A ARG 29.A N ASN 24.A O no hydrogen 2.916 N/A ARG 29.A NH1 ASN 24.A OD1 no hydrogen 2.820 N/A SER 31.A N ASN 348.A O no hydrogen 3.012 N/A SER 31.A OG PRO 13.A O no hydrogen 3.292 N/A ILE 32.A N ASP 30.A OD1 no hydrogen 2.961 N/A THR 33.A N GLY 61.A O no hydrogen 3.053 N/A THR 33.A OG1 GLU 34.A O no hydrogen 3.505 N/A ILE 35.A N LYS 59.A O no hydrogen 3.050 N/A ARG 39.A N PRO 36.A O no hydrogen 3.061 N/A ARG 39.A NH1 GLU 241.A OE2 no hydrogen 2.561 N/A ARG 39.A NH2 GLU 241.A OE1 no hydrogen 2.845 N/A ARG 39.A NH2 GLU 241.A OE2 no hydrogen 3.217 N/A TRP 40.A NE1 HIS 42.A ND1 no hydrogen 2.984 N/A HIS 42.A NE2 SER 58.A O no hydrogen 2.876 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 3.172 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.278 N/A ARG 44.A N ASP 41.A O no hydrogen 3.289 N/A TYR 45.A N HIS 42.A O no hydrogen 2.948 N/A TYR 46.A N HIS 42.A O no hydrogen 2.801 N/A ASP 47.A N THR 56.A O no hydrogen 2.731 N/A ARG 49.A N ASP 47.A OD1 no hydrogen 3.030 N/A ARG 50.A NH1 GLN 219.A OE1 no hydrogen 3.034 N/A ARG 50.A NH2 SER 223.A OG no hydrogen 3.139 N/A ARG 50.A NH2 ASP 235.A O no hydrogen 3.442 N/A ARG 50.A NH2 ASP 235.A OD2 no hydrogen 2.975 N/A ARG 55.A N VAL 52.A O no hydrogen 3.165 N/A ARG 55.A NH1 GLY 54.A O no hydrogen 2.769 N/A THR 56.A N TYR 45.A O no hydrogen 2.758 N/A THR 56.A OG1 TYR 213.A O no hydrogen 2.814 N/A TYR 57.A OH ALA 221.A O no hydrogen 2.540 N/A SER 58.A N THR 56.A OG1 no hydrogen 3.348 N/A LYS 59.A NZ GLU 34.A OE2 no hydrogen 3.255 N/A GLY 61.A N THR 33.A O no hydrogen 2.836 N/A GLY 62.A N PRO 239.A O no hydrogen 2.999 N/A LEU 64.A N GLU 241.A OE1 no hydrogen 2.742 N/A GLU 69.A N GLY 66.A O no hydrogen 3.142 N/A PHE 70.A N GLU 571.A O no hydrogen 2.990 N/A PHE 74.A N ASP 71.A O no hydrogen 3.143 N/A PHE 74.A N ASP 71.A OD1 no hydrogen 3.366 N/A PHE 75.A N PRO 72.A O no hydrogen 2.974 N/A GLY 76.A N LEU 73.A O no hydrogen 3.254 N/A ILE 77.A N PRO 72.A O no hydrogen 2.843 N/A ALA 81.A N SER 78.A OG no hydrogen 3.136 N/A ALA 82.A N SER 78.A O no hydrogen 3.048 N/A SER 83.A OG PRO 79.A O no hydrogen 3.492 N/A SER 83.A OG ASP 577.A OD2 no hydrogen 2.829 N/A THR 84.A OG1 ALA 81.A O no hydrogen 3.469 N/A GLN 87.A N ASP 85.A OD1 no hydrogen 3.259 N/A GLN 87.A NE2 ASP 85.A OD2 no hydrogen 3.174 N/A GLN 87.A NE2 TYR 131.A O no hydrogen 2.981 N/A ARG 89.A N ASP 85.A O no hydrogen 3.181 N/A ARG 89.A NH1 TYR 573.A O no hydrogen 2.914 N/A ARG 89.A NH2 TYR 573.A O no hydrogen 3.350 N/A LEU 90.A N PRO 86.A O no hydrogen 2.829 N/A PHE 91.A N GLN 87.A O no hydrogen 3.110 N/A LEU 92.A N GLU 88.A O no hydrogen 3.057 N/A GLN 93.A N ARG 89.A O no hydrogen 3.326 N/A CYS 94.A N LEU 90.A O no hydrogen 2.925 N/A ALA 95.A N PHE 91.A O no hydrogen 2.751 N/A HIS 96.A N LEU 92.A O no hydrogen 3.160 N/A THR 97.A N GLN 93.A O no hydrogen 3.076 N/A THR 97.A OG1 GLN 93.A O no hydrogen 3.061 N/A THR 97.A OG1 CYS 94.A O no hydrogen 2.650 N/A THR 98.A N CYS 94.A O no hydrogen 3.028 N/A THR 98.A OG1 CYS 94.A O no hydrogen 2.668 N/A LEU 99.A N ALA 95.A O no hydrogen 3.225 N/A GLU 100.A N HIS 96.A O no hydrogen 3.027 N/A ASP 101.A N THR 97.A O no hydrogen 2.918 N/A ALA 102.A N THR 98.A O no hydrogen 2.991 N/A GLY 103.A N GLU 100.A O no hydrogen 3.171 N/A TYR 104.A N LEU 99.A O no hydrogen 2.911 N/A TYR 104.A OH ASP 259.A OD1 no hydrogen 2.399 N/A TYR 104.A OH ASP 259.A OD2 no hydrogen 3.195 N/A ARG 106.A N GLU 483.A OE2 no hydrogen 2.438 N/A ALA 108.A N SER 105.A OG no hydrogen 3.302 N/A LEU 109.A N SER 105.A O no hydrogen 2.916 N/A ARG 110.A N ARG 106.A O no hydrogen 3.085 N/A ARG 110.A NH1 LEU 165.A O no hydrogen 2.861 N/A ALA 111.A N GLY 107.A O no hydrogen 3.074 N/A ALA 112.A N ALA 108.A O no hydrogen 2.965 N/A ALA 113.A N LEU 109.A O no hydrogen 2.984 N/A ARG 114.A N ARG 110.A O no hydrogen 2.812 N/A ALA 115.A N ALA 111.A O no hydrogen 3.339 N/A ARG 116.A N ALA 113.A O no hydrogen 3.102 N/A ARG 116.A NH2 ASP 257.A OD1 no hydrogen 2.998 N/A ALA 121.A N ALA 118.A O no hydrogen 3.296 N/A GLY 122.A N GLU 195.A O no hydrogen 3.158 N/A ASP 123.A N SER 168.A OG no hydrogen 3.048 N/A ILE 124.A N ASP 123.A OD1 no hydrogen 2.404 N/A GLY 125.A N VAL 198.A O no hydrogen 2.907 N/A VAL 126.A N PRO 170.A O no hydrogen 2.756 N/A PHE 127.A N LEU 200.A O no hydrogen 2.756 N/A ALA 128.A N VAL 172.A O no hydrogen 2.859 N/A GLY 129.A N GLY 202.A O no hydrogen 2.818 N/A ALA 130.A N VAL 174.A O no hydrogen 3.294 N/A TYR 131.A OH GLU 353.A OE2 no hydrogen 2.705 N/A TYR 134.A OH SER 83.A O no hydrogen 2.807 N/A LEU 136.A N GLU 133.A O no hydrogen 2.819 N/A TYR 137.A N TYR 134.A O no hydrogen 2.995 N/A TYR 137.A OH VAL 208.A O no hydrogen 2.525 N/A GLU 140.A N LEU 136.A O no hydrogen 2.981 N/A TYR 141.A N TYR 137.A O no hydrogen 2.932 N/A TYR 141.A OH GLU 146.A OE2 no hydrogen 2.991 N/A TYR 141.A OH PRO 580.A O no hydrogen 2.395 N/A SER 142.A N GLY 138.A O no hydrogen 2.951 N/A SER 142.A OG GLY 138.A O no hydrogen 2.632 N/A VAL 143.A N ALA 139.A O no hydrogen 3.225 N/A VAL 148.A N SER 142.A OG no hydrogen 2.935 N/A SER 156.A N SER 153.A O no hydrogen 3.142 N/A ILE 157.A N LEU 154.A O no hydrogen 3.168 N/A ALA 158.A N ALA 155.A O no hydrogen 3.120 N/A ASN 159.A N ALA 155.A O no hydrogen 2.843 N/A ARG 160.A N SER 156.A O no hydrogen 2.838 N/A ARG 160.A NE GLU 88.A OE1 no hydrogen 2.799 N/A SER 162.A N ALA 158.A O no hydrogen 3.099 N/A SER 162.A OG ALA 158.A O no hydrogen 3.121 N/A SER 162.A OG SER 171.A OG no hydrogen 2.747 N/A TYR 163.A N ASN 159.A O no hydrogen 2.906 N/A PHE 164.A N ARG 160.A O no hydrogen 2.905 N/A LEU 165.A N VAL 161.A O no hydrogen 2.775 N/A ASP 166.A N TYR 163.A O no hydrogen 3.253 N/A ALA 167.A N SER 162.A O no hydrogen 2.795 N/A SER 168.A N ASP 123.A OD1 no hydrogen 2.795 N/A SER 168.A OG ASP 123.A OD1 no hydrogen 3.095 N/A GLY 169.A N ILE 124.A O no hydrogen 2.914 N/A SER 171.A OG ASN 159.A OD1 no hydrogen 2.848 N/A SER 171.A OG SER 162.A OG no hydrogen 2.747 N/A VAL 172.A N VAL 126.A O no hydrogen 2.845 N/A THR 173.A OG1 LEU 154.A O no hydrogen 2.826 N/A VAL 174.A N ALA 128.A O no hydrogen 2.763 N/A THR 176.A N SER 179.A OG no hydrogen 2.948 N/A THR 176.A OG1 SER 182.A OG no hydrogen 2.941 N/A CYS 177.A SG HIS 351.A NE2 no hydrogen 3.442 N/A ALA 178.A N THR 176.A O no hydrogen 3.384 N/A SER 182.A N ALA 178.A O no hydrogen 2.888 N/A SER 182.A OG THR 176.A OG1 no hydrogen 2.941 N/A SER 182.A OG ALA 178.A O no hydrogen 2.807 N/A ALA 183.A N SER 179.A O no hydrogen 2.849 N/A ILE 184.A N ALA 180.A O no hydrogen 3.050 N/A HIS 185.A N LEU 181.A O no hydrogen 2.936 N/A HIS 185.A ND1 THR 268.A OG1 no hydrogen 2.661 N/A LEU 186.A N SER 182.A O no hydrogen 2.976 N/A ALA 187.A N ALA 183.A O no hydrogen 2.792 N/A CYS 188.A N ILE 184.A O no hydrogen 2.854 N/A CYS 188.A SG ILE 184.A O no hydrogen 3.337 N/A ALA 189.A N HIS 185.A O no hydrogen 3.105 N/A ALA 190.A N LEU 186.A O no hydrogen 2.968 N/A LEU 191.A N ALA 187.A O no hydrogen 3.008 N/A GLN 192.A N CYS 188.A O no hydrogen 2.955 N/A ARG 193.A N ALA 189.A O no hydrogen 2.936 N/A ARG 193.A NH1 GLU 195.A OE2 no hydrogen 3.237 N/A GLY 194.A N LEU 191.A O no hydrogen 3.196 N/A GLU 195.A N ALA 190.A O no hydrogen 2.833 N/A CYS 196.A SG VAL 198.A O no hydrogen 3.502 N/A GLY 197.A N ASP 123.A O no hydrogen 2.975 N/A VAL 198.A N ASP 123.A O no hydrogen 3.056 N/A ALA 199.A N LEU 248.A O no hydrogen 2.937 N/A LEU 200.A N GLY 125.A O no hydrogen 2.625 N/A ALA 201.A N VAL 246.A O no hydrogen 2.886 N/A GLY 202.A N PHE 127.A O no hydrogen 3.061 N/A GLY 203.A N GLY 244.A O no hydrogen 3.090 N/A VAL 204.A N GLY 129.A O no hydrogen 2.962 N/A ASN 205.A N GLY 242.A O no hydrogen 2.885 N/A ASN 205.A ND2 GLY 240.A O no hydrogen 2.950 N/A ASN 205.A ND2 GLU 353.A OE1 no hydrogen 3.212 N/A LEU 206.A N GLN 87.A OE1 no hydrogen 3.250 N/A SER 207.A N GLU 241.A OE2 no hydrogen 2.819 N/A HIS 209.A NE2 GLU 140.A OE2 no hydrogen 2.828 N/A GLY 211.A N HIS 209.A ND1 no hydrogen 2.989 N/A LYS 212.A NZ LEU 206.A O no hydrogen 3.140 N/A LYS 212.A NZ SER 207.A OG no hydrogen 2.859 N/A LYS 212.A NZ GLU 353.A OE1 no hydrogen 3.529 N/A TYR 213.A N PRO 210.A O no hydrogen 2.909 N/A TYR 213.A OH TRP 60.A O no hydrogen 2.713 N/A LEU 214.A N PRO 210.A O no hydrogen 3.155 N/A GLY 216.A N TYR 213.A O no hydrogen 3.127 N/A GLU 217.A N LEU 214.A O no hydrogen 3.188 N/A GLN 219.A N GLY 216.A O no hydrogen 3.379 N/A PHE 220.A N ILE 215.A O no hydrogen 2.914 N/A ALA 221.A N ILE 215.A O no hydrogen 3.258 N/A SER 222.A N TYR 237.A O no hydrogen 3.019 N/A SER 222.A OG ARG 226.A O no hydrogen 2.922 N/A SER 222.A OG TYR 237.A O no hydrogen 3.260 N/A SER 223.A N ASP 235.A OD1 no hydrogen 3.140 N/A SER 223.A OG ASP 235.A OD2 no hydrogen 2.680 N/A GLY 225.A N SER 222.A O no hydrogen 3.377 N/A ARG 226.A N SER 222.A OG no hydrogen 3.186 N/A ARG 226.A N ASP 224.A OD1 no hydrogen 3.379 N/A ARG 226.A NE ASP 30.A OD2 no hydrogen 2.758 N/A ARG 226.A NH1 GLY 225.A O no hydrogen 3.231 N/A CYS 227.A SG VAL 238.A O no hydrogen 4.042 N/A CYS 227.A SG THR 313.A O no hydrogen 3.368 N/A ARG 228.A NE ASP 224.A OD2 no hydrogen 2.828 N/A ARG 228.A NH1 GLU 232.A O no hydrogen 2.944 N/A ARG 228.A NH2 ASP 224.A OD2 no hydrogen 2.962 N/A SER 229.A N CYS 227.A O no hydrogen 2.780 N/A SER 229.A OG CYS 227.A O no hydrogen 3.437 N/A SER 229.A OG GLY 312.A O no hydrogen 2.788 N/A PHE 230.A N ASP 319.A OD2 no hydrogen 2.595 N/A GLY 231.A N ARG 228.A O no hydrogen 2.931 N/A GLU 232.A N ARG 380.A O no hydrogen 3.007 N/A GLY 236.A N GLY 314.A O no hydrogen 3.316 N/A TYR 237.A N PHE 220.A O no hydrogen 3.072 N/A GLY 240.A N HIS 351.A O no hydrogen 2.764 N/A GLU 241.A N GLY 62.A O no hydrogen 2.536 N/A GLY 242.A N ASN 205.A O no hydrogen 2.865 N/A VAL 243.A N ARG 11.A O no hydrogen 3.017 N/A GLY 244.A N GLY 203.A O no hydrogen 3.107 N/A ALA 245.A N ALA 9.A O no hydrogen 3.045 N/A VAL 246.A N ALA 201.A O no hydrogen 2.671 N/A LEU 247.A N GLY 8.A O no hydrogen 2.973 N/A LEU 248.A N ALA 199.A O no hydrogen 2.606 N/A ARG 249.A N ALA 5.A O no hydrogen 2.994 N/A ARG 249.A NH1 TYR 104.A OH no hydrogen 2.847 N/A ARG 249.A NH2 ASP 257.A OD2 no hydrogen 2.332 N/A LEU 251.A N ALA 3.A O no hydrogen 2.872 N/A ASP 253.A N PRO 250.A O no hydrogen 2.943 N/A ALA 254.A N PRO 250.A O no hydrogen 3.125 N/A VAL 255.A N LEU 251.A O no hydrogen 2.929 N/A ALA 256.A N ALA 252.A O no hydrogen 3.001 N/A ASP 257.A N ASP 253.A O no hydrogen 3.086 N/A ASP 257.A N ALA 254.A O no hydrogen 3.208 N/A GLY 258.A N VAL 255.A O no hydrogen 3.265 N/A ASP 259.A N ALA 254.A O no hydrogen 3.000 N/A ARG 260.A NH1 ASP 101.A O no hydrogen 2.632 N/A ARG 260.A NH1 ASP 101.A OD1 no hydrogen 3.228 N/A ARG 260.A NH1 ASP 101.A OD2 no hydrogen 3.296 N/A LEU 262.A N ILE 6.A O no hydrogen 2.720 N/A VAL 264.A N GLU 428.A O no hydrogen 2.641 N/A ILE 265.A N ILE 4.A O no hydrogen 2.695 N/A ARG 266.A N VAL 426.A O no hydrogen 2.654 N/A ARG 266.A NE ALA 298.A O no hydrogen 3.079 N/A ARG 266.A NH2 ALA 298.A O no hydrogen 2.914 N/A GLY 267.A N VAL 426.A O no hydrogen 3.462 N/A THR 268.A OG1 HIS 185.A ND1 no hydrogen 2.661 N/A ALA 269.A N HIS 424.A O no hydrogen 3.044 N/A ASN 271.A N ASN 422.A O no hydrogen 3.204 N/A ASN 271.A ND2 ALA 286.A O no hydrogen 2.839 N/A HIS 272.A NE2 GLY 419.A O no hydrogen 2.868 N/A GLY 273.A N GLY 420.A O no hydrogen 2.969 N/A GLY 274.A N HIS 272.A ND1 no hydrogen 2.980 N/A THR 276.A N GLY 274.A O no hydrogen 3.248 N/A THR 276.A OG1 GLY 278.A O no hydrogen 2.669 N/A THR 276.A OG1 VAL 281.A O no hydrogen 2.749 N/A VAL 281.A N GLY 278.A O no hydrogen 2.968 N/A ASN 283.A ND2 GLY 273.A O no hydrogen 2.753 N/A LEU 285.A N ASN 283.A OD1 no hydrogen 3.022 N/A GLN 287.A N ASN 283.A O no hydrogen 3.035 N/A ALA 288.A N PRO 284.A O no hydrogen 2.973 N/A ALA 289.A N LEU 285.A O no hydrogen 3.014 N/A VAL 290.A N ALA 286.A O no hydrogen 3.020 N/A ILE 291.A N GLN 287.A O no hydrogen 3.124 N/A ARG 292.A N ALA 288.A O no hydrogen 3.041 N/A ARG 292.A NE ALA 328.A O no hydrogen 3.577 N/A SER 293.A N ALA 289.A O no hydrogen 2.889 N/A SER 293.A OG ALA 289.A O no hydrogen 2.702 N/A ALA 294.A N VAL 290.A O no hydrogen 3.128 N/A TRP 295.A N ILE 291.A O no hydrogen 3.092 N/A ARG 296.A N ARG 292.A O no hydrogen 2.859 N/A ARG 297.A N SER 293.A O no hydrogen 3.056 N/A ARG 297.A NE THR 268.A O no hydrogen 3.171 N/A ARG 297.A NH2 THR 268.A O no hydrogen 3.352 N/A ALA 298.A N ALA 294.A O no hydrogen 2.863 N/A GLY 299.A N TRP 295.A O no hydrogen 2.869 N/A GLY 299.A N ARG 296.A O no hydrogen 3.190 N/A VAL 300.A N TRP 295.A O no hydrogen 3.437 N/A ARG 303.A N ASP 301.A OD1 no hydrogen 3.355 N/A ARG 303.A NH2 ARG 303.A O no hydrogen 2.884 N/A ASP 304.A N ASP 301.A O no hydrogen 2.651 N/A ILE 305.A N PRO 302.A O no hydrogen 3.160 N/A GLY 306.A N LEU 410.A O no hydrogen 2.801 N/A ILE 308.A N ALA 341.A O no hydrogen 2.792 N/A GLU 309.A N GLY 412.A O no hydrogen 2.813 N/A ALA 310.A N GLY 343.A O no hydrogen 3.023 N/A HIS 311.A N GLU 322.A OE1 no hydrogen 2.615 N/A GLY 312.A N GLU 322.A OE2 no hydrogen 2.769 N/A THR 313.A OG1 THR 315.A OG1 no hydrogen 3.297 N/A GLY 314.A N ASP 319.A OD1 no hydrogen 2.997 N/A THR 315.A N ASP 319.A OD1 no hydrogen 3.466 N/A THR 315.A OG1 THR 313.A OG1 no hydrogen 3.297 N/A SER 316.A OG GLY 234.A O no hydrogen 3.327 N/A ASP 319.A N THR 315.A O no hydrogen 3.178 N/A ILE 321.A N LEU 317.A O no hydrogen 3.216 N/A GLU 322.A N GLY 318.A O no hydrogen 2.917 N/A ILE 323.A N ASP 319.A O no hydrogen 3.321 N/A ALA 324.A N PRO 320.A O no hydrogen 3.042 N/A GLY 325.A N ILE 321.A O no hydrogen 2.890 N/A LEU 326.A N GLU 322.A O no hydrogen 2.953 N/A ASN 327.A N ILE 323.A O no hydrogen 2.835 N/A ALA 328.A N ALA 324.A O no hydrogen 3.106 N/A ALA 329.A N GLY 325.A O no hydrogen 3.103 N/A PHE 330.A N LEU 326.A O no hydrogen 3.010 N/A ALA 331.A N ASN 327.A O no hydrogen 2.957 N/A GLU 332.A N ALA 329.A O no hydrogen 3.456 N/A PHE 333.A N PHE 330.A O no hydrogen 3.006 N/A THR 334.A N PHE 330.A O no hydrogen 2.999 N/A ARG 337.A NE ALA 388.A O no hydrogen 3.116 N/A ARG 337.A NH2 ALA 388.A O no hydrogen 3.197 N/A ASN 338.A N SER 390.A O no hydrogen 2.814 N/A ASN 338.A ND2 ALA 388.A O no hydrogen 3.320 N/A PHE 339.A N PRO 391.A O no hydrogen 2.831 N/A CYS 340.A N PRO 391.A O no hydrogen 2.939 N/A CYS 340.A SG ILE 305.A O no hydrogen 3.697 N/A CYS 340.A SG ALA 341.A O no hydrogen 3.387 N/A ALA 341.A N GLY 306.A O no hydrogen 3.066 N/A ILE 342.A N VAL 393.A O no hydrogen 3.377 N/A GLY 343.A N ILE 308.A O no hydrogen 3.437 N/A SER 344.A N SER 375.A OG no hydrogen 3.221 N/A SER 344.A OG ALA 310.A O no hydrogen 3.405 N/A SER 344.A OG HIS 311.A O no hydrogen 3.174 N/A ALA 345.A N GLU 309.A OE2 no hydrogen 2.726 N/A LYS 346.A N SER 344.A OG no hydrogen 3.187 N/A LYS 346.A NZ HIS 311.A O no hydrogen 2.696 N/A SER 347.A N SER 344.A O no hydrogen 3.249 N/A SER 347.A OG SER 344.A O no hydrogen 2.630 N/A SER 347.A OG ASN 348.A OD1 no hydrogen 3.548 N/A ASN 348.A N ALA 345.A O no hydrogen 2.711 N/A ASN 348.A ND2 ARG 29.A O no hydrogen 3.114 N/A ILE 349.A N ALA 345.A O no hydrogen 2.970 N/A GLY 350.A N LYS 346.A O no hydrogen 2.883 N/A HIS 351.A N VAL 238.A O no hydrogen 2.704 N/A GLU 353.A N HIS 351.A ND1 no hydrogen 3.159 N/A SER 354.A OG VAL 204.A O no hydrogen 2.899 N/A SER 354.A OG ASN 205.A OD1 no hydrogen 3.276 N/A ALA 355.A N LEU 352.A O no hydrogen 2.970 N/A ALA 356.A N GLU 353.A O no hydrogen 2.879 N/A ALA 359.A N ALA 355.A O no hydrogen 3.303 N/A GLY 360.A N ALA 356.A O no hydrogen 2.995 N/A LEU 361.A N GLY 357.A O no hydrogen 2.845 N/A ALA 362.A N ILE 358.A O no hydrogen 3.057 N/A LYS 363.A N ALA 359.A O no hydrogen 3.105 N/A LYS 363.A NZ GLU 309.A OE1 no hydrogen 3.046 N/A LEU 364.A N GLY 360.A O no hydrogen 3.107 N/A LEU 365.A N LEU 361.A O no hydrogen 2.912 N/A LEU 366.A N ALA 362.A O no hydrogen 2.876 N/A GLN 367.A N LYS 363.A O no hydrogen 3.020 N/A GLN 367.A NE2 LYS 363.A O no hydrogen 3.545 N/A HIS 369.A N LEU 366.A O no hydrogen 3.137 N/A HIS 369.A ND1 LEU 366.A O no hydrogen 3.215 N/A THR 371.A N GLN 367.A O no hydrogen 2.913 N/A THR 371.A OG1 HIS 369.A O no hydrogen 3.027 N/A LEU 372.A N ALA 399.A O no hydrogen 2.688 N/A VAL 373.A N GLN 367.A OE1 no hydrogen 3.106 N/A SER 375.A N GLN 395.A O no hydrogen 2.683 N/A LEU 376.A N SER 347.A OG no hydrogen 3.009 N/A HIS 377.A NE2 ASP 30.A OD2 no hydrogen 3.062 N/A ASN 382.A N PHE 230.A O no hydrogen 3.028 N/A ASP 384.A N ASN 382.A OD1 no hydrogen 2.831 N/A ILE 385.A N ASN 382.A O no hydrogen 2.908 N/A SER 390.A OG PHE 387.A O no hydrogen 2.480 N/A SER 390.A OG PHE 392.A O no hydrogen 3.440 N/A PHE 392.A N SER 390.A OG no hydrogen 3.161 N/A VAL 393.A N CYS 340.A O no hydrogen 2.820 N/A GLN 395.A N ILE 342.A O no hydrogen 2.983 N/A GLN 395.A NE2 GLU 397.A O no hydrogen 2.529 N/A ARG 396.A NH1 ALA 378.A O no hydrogen 3.255 N/A ALA 399.A N LEU 372.A O no hydrogen 3.006 N/A TRP 401.A N GLY 370.A O no hydrogen 2.723 N/A ARG 403.A NH1 ASP 429.A OD1 no hydrogen 3.456 N/A ARG 403.A NH2 ASP 429.A OD2 no hydrogen 2.873 N/A ARG 407.A N THR 404.A O no hydrogen 2.932 N/A ARG 409.A N ASP 429.A OD1 no hydrogen 2.784 N/A ARG 409.A NE ASP 429.A OD2 no hydrogen 3.442 N/A GLY 411.A N VAL 427.A O no hydrogen 2.786 N/A GLY 412.A N CYS 307.A O no hydrogen 2.951 N/A LEU 413.A N VAL 425.A O no hydrogen 2.902 N/A SER 414.A N GLU 309.A O no hydrogen 3.152 N/A SER 414.A OG HIS 424.A ND1 no hydrogen 2.720 N/A SER 415.A N ALA 423.A O no hydrogen 3.010 N/A SER 415.A OG CYS 177.A O no hydrogen 2.777 N/A GLY 417.A N SER 421.A O no hydrogen 2.564 N/A GLY 420.A N GLY 417.A O no hydrogen 2.964 N/A ASN 422.A N ASN 271.A O no hydrogen 3.005 N/A ASN 422.A ND2 ASN 271.A OD1 no hydrogen 3.401 N/A ALA 423.A N SER 415.A O no hydrogen 2.950 N/A HIS 424.A N ALA 269.A O no hydrogen 3.171 N/A HIS 424.A ND1 SER 414.A OG no hydrogen 2.720 N/A VAL 425.A N LEU 413.A O no hydrogen 2.827 N/A VAL 426.A N GLY 267.A O no hydrogen 2.776 N/A VAL 427.A N GLY 411.A O no hydrogen 3.042 N/A GLU 428.A N VAL 264.A O no hydrogen 2.901 N/A ASP 429.A N ARG 409.A O no hydrogen 3.290 N/A GLU 436.A N HIS 433.A O no hydrogen 3.456 N/A VAL 438.A N VAL 492.A O no hydrogen 2.782 N/A VAL 440.A N VAL 490.A O no hydrogen 2.849 N/A LEU 442.A N PHE 488.A O no hydrogen 2.757 N/A SER 443.A OG GLU 483.A O no hydrogen 2.825 N/A ALA 444.A N ALA 486.A O no hydrogen 2.974 N/A PHE 445.A N TYR 566.A OH no hydrogen 3.173 N/A ARG 449.A N ASP 446.A OD1 no hydrogen 2.870 N/A ARG 449.A NH1 PRO 567.A O no hydrogen 2.937 N/A ARG 449.A NH2 GLU 448.A OE2 no hydrogen 2.832 N/A LEU 450.A N ASP 446.A O no hydrogen 3.090 N/A ARG 451.A N GLU 447.A O no hydrogen 3.032 N/A ARG 451.A NE GLU 447.A OE2 no hydrogen 3.245 N/A ARG 451.A NH1 CYS 505.A O no hydrogen 2.450 N/A ARG 451.A NH2 GLU 447.A OE2 no hydrogen 3.253 N/A GLU 452.A N GLU 448.A O no hydrogen 2.979 N/A SER 453.A N ARG 449.A O no hydrogen 2.923 N/A SER 453.A OG ARG 449.A O no hydrogen 3.160 N/A ALA 454.A N LEU 450.A O no hydrogen 3.043 N/A GLY 455.A N ARG 451.A O no hydrogen 3.140 N/A ARG 456.A N GLU 452.A O no hydrogen 3.029 N/A LEU 457.A N SER 453.A O no hydrogen 2.915 N/A ARG 458.A N ALA 454.A O no hydrogen 2.904 N/A ARG 458.A NE ASP 459.A OD1 no hydrogen 2.966 N/A ARG 458.A NH1 ASP 503.A OD1 no hydrogen 2.483 N/A ARG 458.A NH2 ASP 459.A OD1 no hydrogen 3.136 N/A ASP 459.A N GLY 455.A O no hydrogen 2.942 N/A ALA 460.A N ARG 456.A O no hydrogen 3.102 N/A LEU 461.A N LEU 457.A O no hydrogen 2.962 N/A LYS 463.A N ALA 460.A O no hydrogen 3.163 N/A TRP 466.A N LYS 463.A O no hydrogen 3.364 N/A SER 467.A N ASP 470.A OD2 no hydrogen 2.793 N/A ASP 470.A N SER 467.A O no hydrogen 3.028 N/A LEU 471.A N SER 468.A O no hydrogen 3.132 N/A ILE 474.A N ASP 470.A O no hydrogen 2.953 N/A ALA 475.A N LEU 471.A O no hydrogen 3.008 N/A TYR 476.A N PRO 472.A O no hydrogen 3.157 N/A THR 477.A N ASP 473.A O no hydrogen 2.955 N/A THR 477.A OG1 ASP 473.A O no hydrogen 2.870 N/A LEU 478.A N ILE 474.A O no hydrogen 3.069 N/A GLN 479.A N ALA 475.A O no hydrogen 3.043 N/A GLN 479.A N TYR 476.A O no hydrogen 3.213 N/A GLN 479.A NE2 VAL 439.A O no hydrogen 2.924 N/A VAL 480.A N TYR 476.A O no hydrogen 3.122 N/A GLY 481.A N THR 477.A O no hydrogen 2.937 N/A ARG 482.A NH1 GLU 100.A O no hydrogen 2.949 N/A ARG 482.A NH1 GLY 481.A O no hydrogen 3.076 N/A ARG 482.A NH2 PRO 564.A O no hydrogen 3.415 N/A ALA 486.A N ALA 444.A O no hydrogen 3.125 N/A ARG 487.A N ASN 518.A O no hydrogen 2.782 N/A ARG 487.A NH1 TRP 541.A O no hydrogen 2.765 N/A ARG 487.A NH1 LEU 545.A O no hydrogen 3.304 N/A PHE 488.A N LEU 442.A O no hydrogen 2.686 N/A ALA 489.A N TYR 516.A O no hydrogen 2.996 N/A VAL 490.A N VAL 440.A O no hydrogen 2.966 N/A ALA 491.A N GLY 514.A O.A no hydrogen 2.787 N/A ALA 491.A N GLY 514.A O.B no hydrogen 3.220 N/A VAL 492.A N VAL 438.A O no hydrogen 2.939 N/A LEU 495.A N SER 468.A OG no hydrogen 2.960 N/A ALA 497.A N THR 494.A OG1 no hydrogen 3.408 N/A LEU 498.A N THR 494.A O no hydrogen 3.211 N/A VAL 499.A N LEU 495.A O no hydrogen 2.964 N/A ASP 500.A N PRO 496.A O no hydrogen 3.142 N/A ALA 501.A N ALA 497.A O no hydrogen 3.046 N/A LEU 502.A N LEU 498.A O no hydrogen 2.898 N/A ASP 503.A N VAL 499.A O no hydrogen 2.878 N/A ALA 504.A N ASP 500.A O no hydrogen 2.992 N/A CYS 505.A N ALA 501.A O no hydrogen 3.005 N/A ALA 506.A N LEU 502.A O no hydrogen 2.849 N/A LEU 507.A N ASP 503.A O no hydrogen 2.871 N/A GLY 508.A N CYS 505.A O no hydrogen 3.307 N/A SER 509.A N ALA 504.A O no hydrogen 2.817 N/A SER 509.A OG ALA 504.A O no hydrogen 3.478 N/A ALA 515.A N PRO 512.A O no hydrogen 3.435 N/A TYR 516.A N ALA 489.A O no hydrogen 2.730 N/A ASN 518.A N ARG 487.A O no hydrogen 2.992 N/A ASN 518.A ND2 THR 542.A O no hydrogen 2.849 N/A GLY 520.A N ASN 518.A OD1 no hydrogen 2.805 N/A ALA 525.A N PHE 521.A O no hydrogen 2.929 N/A VAL 526.A N GLN 522.A O no hydrogen 2.843 N/A ARG 527.A N GLU 523.A O no hydrogen 3.402 N/A TRP 528.A N THR 524.A O no hydrogen 3.170 N/A ALA 529.A N ALA 525.A O no hydrogen 2.966 N/A ARG 530.A N VAL 526.A O no hydrogen 2.893 N/A ARG 531.A N TRP 528.A O no hydrogen 2.886 N/A GLY 532.A N ALA 529.A O no hydrogen 3.142 N/A LYS 533.A N TRP 528.A O no hydrogen 2.819 N/A ALA 538.A N PRO 534.A O no hydrogen 2.919 N/A GLU 539.A N ALA 535.A O no hydrogen 2.954 N/A ALA 540.A N PRO 536.A O no hydrogen 3.052 N/A TRP 541.A N LEU 537.A O no hydrogen 2.853 N/A THR 542.A N ALA 538.A O no hydrogen 3.028 N/A THR 542.A OG1 ALA 538.A O no hydrogen 2.785 N/A SER 543.A N GLU 539.A O no hydrogen 3.056 N/A SER 543.A OG GLU 539.A O no hydrogen 3.040 N/A GLY 544.A N TRP 541.A O no hydrogen 2.859 N/A LEU 545.A N ALA 540.A O no hydrogen 3.144 N/A ARG 551.A N ASP 548.A O no hydrogen 3.150 N/A LEU 552.A N TRP 549.A O no hydrogen 3.087 N/A HIS 553.A N ALA 550.A O no hydrogen 3.045 N/A HIS 553.A NE2 GLN 479.A OE1 no hydrogen 2.893 N/A THR 554.A OG1 ARG 551.A O no hydrogen 3.401 N/A LYS 557.A NZ HIS 553.A O no hydrogen 3.303 N/A ARG 559.A N ASP 473.A OD1 no hydrogen 2.805 N/A LYS 560.A NZ ASP 259.A OD1 no hydrogen 2.992 N/A VAL 561.A N THR 477.A OG1 no hydrogen 2.983 N/A TYR 566.A N GLU 100.A OE1 no hydrogen 2.677 N/A ALA 569.A N ASP 71.A OD2 no hydrogen 3.010 N/A TYR 573.A N ASP 68.A O no hydrogen 2.756 N/A TYR 573.A OH GLU 571.A OE2 no hydrogen 3.018 N/A TRP 574.A N ASP 577.A OD2 no hydrogen 2.897 N/A ASP 577.A N TRP 574.A O no hydrogen 3.063 N/A LEU 579.A N THR 576.A O no hydrogen 3.051 N/A