Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3arw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N THR 98.A OG1 no hydrogen 3.373 N/A THR 3.A N THR 52.A O no hydrogen 2.812 N/A THR 3.A OG1 SER 50.A O no hydrogen 2.331 N/A THR 3.A OG1 THR 52.A O no hydrogen 3.412 N/A SER 6.A N ASN 47.A O no hydrogen 2.874 N/A ASP 8.A N LYS 45.A O no hydrogen 2.776 N/A GLY 11.A N ASP 8.A OD2 no hydrogen 3.262 N/A SER 12.A N MET 9.A O no hydrogen 3.197 N/A SER 12.A OG ASP 8.A O no hydrogen 2.586 N/A ASN 14.A N MET 9.A O no hydrogen 2.603 N/A LEU 15.A N SER 12.A O no hydrogen 3.001 N/A GLN 16.A N ASN 13.A O no hydrogen 3.166 N/A PHE 17.A N THR 109.A O no hydrogen 2.816 N/A SER 18.A OG ILE 20.A O no hydrogen 2.807 N/A LYS 19.A N ALA 111.A O no hydrogen 2.816 N/A LYS 19.A NZ TYR 36.A OH no hydrogen 3.331 N/A LYS 19.A NZ GLU 38.A O no hydrogen 3.123 N/A LYS 19.A NZ GLY 83.A O no hydrogen 2.771 N/A LYS 19.A NZ ASP 112.A OD2 no hydrogen 3.012 N/A ILE 20.A N SER 18.A OG no hydrogen 3.113 N/A GLU 21.A N LYS 35.A O no hydrogen 2.713 N/A ALA 23.A N MET 33.A O no hydrogen 2.847 N/A SER 28.A OG.A ASP 32.A OD2.B no hydrogen 2.689 N/A SER 28.A OG.B ASP 32.A OD2.B no hydrogen 2.824 N/A TYR 30.A N ALA 195.A O no hydrogen 2.857 N/A ASP 32.A N GLY 29.A O no hydrogen 2.919 N/A MET 33.A N GLY 29.A O no hydrogen 3.008 N/A MET 33.A N TYR 30.A O no hydrogen 3.115 N/A VAL 34.A N TYR 30.A O no hydrogen 3.052 N/A LYS 35.A N GLU 21.A O no hydrogen 3.003 N/A TYR 36.A OH ASP 112.A OD1 no hydrogen 2.678 N/A TYR 36.A OH ASP 112.A OD2 no hydrogen 3.403 N/A HIS 37.A N LYS 19.A O no hydrogen 2.812 N/A HIS 37.A NE2 GLU 21.A OE1 no hydrogen 2.574 N/A ALA 40.A N TYR 82.A O no hydrogen 2.869 N/A ILE 42.A N PHE 80.A O no hydrogen 2.845 N/A LYS 43.A NZ SER 79.A OG no hydrogen 2.965 N/A VAL 44.A N ALA 78.A O no hydrogen 2.772 N/A LYS 45.A N SER 12.A OG no hydrogen 2.728 N/A PHE 46.A N THR 76.A O no hydrogen 2.905 N/A ASN 47.A N SER 6.A O no hydrogen 2.842 N/A GLN 48.A N SER 74.A O no hydrogen 2.970 N/A GLN 48.A NE2 THR 3.A O no hydrogen 2.881 N/A GLN 48.A NE2 SER 53.A O no hydrogen 2.899 N/A SER 53.A OG GLY 54.A O no hydrogen 3.551 N/A ASP 55.A N CYS 95.A O no hydrogen 2.872 N/A THR 56.A N CYS 95.A O no hydrogen 3.110 N/A TYR 57.A N GLY 69.A O no hydrogen 2.791 N/A ASN 58.A N GLU 93.A O no hydrogen 2.907 N/A ASN 58.A ND2 GLU 93.A OE2 no hydrogen 2.877 N/A VAL 59.A N ALA 67.A O no hydrogen 2.819 N/A TYR 60.A N GLU 91.A O no hydrogen 2.840 N/A TYR 60.A OH GLU 93.A OE2 no hydrogen 2.731 N/A PHE 61.A N VAL 64.A O no hydrogen 2.841 N/A ASP 62.A N GLN 89.A O no hydrogen 2.774 N/A VAL 64.A N PHE 61.A O no hydrogen 3.007 N/A VAL 66.A N VAL 59.A O no hydrogen 2.828 N/A THR 68.A OG1.A ASN 58.A OD1 no hydrogen 3.166 N/A GLY 69.A N TYR 57.A O no hydrogen 3.034 N/A ILE 71.A N ASP 55.A O no hydrogen 3.019 N/A THR 72.A N THR 76.A OG1 no hydrogen 3.059 N/A THR 72.A OG1 GLN 75.A O no hydrogen 3.150 N/A SER 74.A OG GLN 48.A O no hydrogen 3.076 N/A THR 76.A N PHE 46.A O no hydrogen 3.009 N/A ALA 78.A N VAL 44.A O no hydrogen 2.763 N/A PHE 80.A N ILE 42.A O no hydrogen 2.928 N/A TYR 82.A N ALA 40.A O no hydrogen 2.946 N/A GLN 84.A NE2 GLY 85.A O no hydrogen 2.898 N/A GLY 86.A N ILE 110.A O no hydrogen 2.851 N/A TYR 88.A N ILE 108.A O no hydrogen 2.870 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.795 N/A GLN 89.A N ASP 62.A OD2 no hydrogen 2.936 N/A MET 90.A N VAL 106.A O no hydrogen 2.798 N/A GLU 91.A N TYR 60.A O no hydrogen 3.047 N/A ILE 92.A N SER 103.A OG no hydrogen 2.939 N/A GLU 93.A N ASN 58.A O no hydrogen 2.795 N/A ALA 94.A N SER 101.A O no hydrogen 2.816 N/A CYS 95.A N THR 56.A O no hydrogen 2.789 N/A ASP 96.A N GLY 99.A O no hydrogen 2.973 N/A THR 98.A N ASP 96.A OD1 no hydrogen 2.848 N/A THR 98.A OG1 ASP 96.A OD1 no hydrogen 2.513 N/A GLY 99.A N ASP 96.A O no hydrogen 3.196 N/A SER 101.A N ALA 94.A O no hydrogen 2.948 N/A SER 101.A OG PRO 2.A O no hydrogen 2.571 N/A SER 103.A N ILE 92.A O no hydrogen 2.812 N/A SER 103.A OG ILE 92.A O no hydrogen 3.563 N/A SER 103.A OG ALA 104.A O no hydrogen 2.919 N/A VAL 106.A N MET 90.A O no hydrogen 2.908 N/A ILE 108.A N TYR 88.A O no hydrogen 2.743 N/A THR 109.A N LEU 15.A O no hydrogen 2.981 N/A ILE 110.A N GLY 86.A O no hydrogen 2.820 N/A ALA 111.A N PHE 17.A O no hydrogen 2.854 N/A ASP 112.A N HIS 117.A ND1 no hydrogen 3.347 N/A THR 113.A N ASP 112.A OD1 no hydrogen 2.759 N/A THR 113.A OG1 THR 282.A O no hydrogen 2.655 N/A GLY 115.A N ASP 112.A O no hydrogen 3.074 N/A SER 116.A N ASP 114.A OD1 no hydrogen 2.953 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.758 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 3.463 N/A LEU 118.A N GLY 115.A O no hydrogen 2.828 N/A LEU 121.A N ALA 237.A O no hydrogen 3.112 N/A ASN 124.A N ASP 157.A O no hydrogen 2.863 N/A ASN 128.A N ASP 126.A OD1 no hydrogen 2.871 N/A ASN 128.A ND2 ASN 555.A O no hydrogen 2.899 N/A ASN 128.A ND2 ASP 557.A OD1 no hydrogen 2.940 N/A ASN 129.A N ASP 126.A O no hydrogen 3.025 N/A ASN 129.A ND2 ASP 126.A O no hydrogen 3.021 N/A LYS 130.A N ASN 560.A OD1 no hydrogen 2.889 N/A TYR 132.A OH GLU 564.A OE2.B no hydrogen 2.436 N/A THR 134.A OG1 HIS 563.A ND1 no hydrogen 2.668 N/A SER 137.A N ASP 135.A OD2 no hydrogen 2.944 N/A SER 137.A OG ASP 135.A OD2 no hydrogen 2.672 N/A SER 137.A OG VAL 571.A O no hydrogen 3.262 N/A ILE 138.A N ASP 135.A O no hydrogen 3.132 N/A VAL 139.A N ALA 544.A O no hydrogen 2.914 N/A MET 140.A N THR 165.A OG1 no hydrogen 2.895 N/A GLY 141.A N LEU 546.A O no hydrogen 2.932 N/A THR 142.A N HIS 166.A O no hydrogen 3.116 N/A THR 142.A OG1 TYR 143.A O.B no hydrogen 3.468 N/A THR 142.A OG1 SER 548.A O no hydrogen 3.302 N/A THR 142.A OG1 SER 548.A OG no hydrogen 2.824 N/A TYR 143.A N.A SER 548.A O no hydrogen 3.114 N/A TYR 143.A N.B SER 548.A O no hydrogen 3.117 N/A TYR 143.A OH.A ASP 290.A OD2 no hydrogen 3.120 N/A TYR 143.A OH.A ASP 292.A OD2 no hydrogen 2.772 N/A TYR 143.A OH.B ASP 292.A OD2 no hydrogen 2.561 N/A PHE 144.A N LEU 168.A O no hydrogen 2.918 N/A GLU 146.A N GLY 170.A O no hydrogen 2.862 N/A GLY 148.A N VAL 145.A O no hydrogen 2.985 N/A TYR 150.A N TRP 147.A O no hydrogen 3.249 N/A TYR 150.A OH ASP 208.A OD2 no hydrogen 2.608 N/A ASP 153.A N TYR 150.A O no hydrogen 2.902 N/A TYR 154.A N GLY 148.A O no hydrogen 2.946 N/A THR 155.A N ASN 158.A OD1 no hydrogen 3.040 N/A THR 155.A OG1 ASP 157.A OD1 no hydrogen 2.700 N/A THR 155.A OG1 ASN 158.A OD1 no hydrogen 3.336 N/A ASN 158.A N THR 155.A O no hydrogen 2.869 N/A ASN 158.A ND2 ASN 124.A O no hydrogen 2.932 N/A MET 159.A N VAL 156.A O no hydrogen 3.068 N/A ASN 163.A N PRO 160.A O no hydrogen 2.793 N/A ASN 163.A ND2 LYS 130.A O no hydrogen 2.769 N/A LEU 164.A N VAL 161.A O no hydrogen 3.118 N/A THR 165.A N MET 140.A O no hydrogen 2.740 N/A THR 165.A OG1 MET 140.A O no hydrogen 3.279 N/A THR 165.A OG1 HIS 166.A ND1 no hydrogen 2.757 N/A HIS 166.A N MET 140.A O no hydrogen 3.372 N/A HIS 166.A ND1 THR 165.A OG1 no hydrogen 2.757 N/A HIS 166.A NE2 GLU 338.A OE1 no hydrogen 2.965 N/A ILE 167.A N LYS 246.A O no hydrogen 2.890 N/A LEU 168.A N THR 142.A O no hydrogen 2.830 N/A TYR 169.A N ILE 248.A O no hydrogen 2.825 N/A TYR 169.A OH GLU 146.A OE1 no hydrogen 2.638 N/A GLY 170.A N PHE 144.A O no hydrogen 2.934 N/A ILE 172.A N SER 250.A O no hydrogen 2.817 N/A CYS 175.A N GLU 203.A O no hydrogen 2.822 N/A CYS 175.A SG GLU 203.A O no hydrogen 3.682 N/A ASN 178.A ND2 ILE 174.A O no hydrogen 2.854 N/A ASN 178.A ND2 GLY 176.A O no hydrogen 3.101 N/A SER 180.A N ASP 258.A OD2 no hydrogen 2.996 N/A SER 180.A OG ASP 258.A OD1 no hydrogen 2.801 N/A SER 180.A OG ASP 258.A OD2 no hydrogen 3.096 N/A VAL 181.A N ASN 178.A O no hydrogen 3.059 N/A LYS 182.A N GLU 179.A O no hydrogen 2.954 N/A LYS 182.A NZ GLU 179.A OE1 no hydrogen 2.804 N/A SER 183.A N SER 180.A O no hydrogen 3.067 N/A SER 183.A OG SER 180.A O no hydrogen 2.702 N/A VAL 184.A N VAL 181.A O no hydrogen 3.263 N/A GLY 185.A N LYS 182.A O no hydrogen 3.005 N/A ALA 191.A N ASN 187.A O no hydrogen 2.795 N/A LEU 192.A N SER 188.A O no hydrogen 3.113 N/A GLN 193.A N PHE 189.A O no hydrogen 2.960 N/A GLN 193.A NE2 PHE 189.A O no hydrogen 3.453 N/A THR 194.A N ASN 190.A O no hydrogen 3.004 N/A THR 194.A OG1 ASN 190.A O no hydrogen 3.276 N/A ALA 195.A N ALA 191.A O no hydrogen 2.931 N/A CYS 196.A N LEU 192.A O no hydrogen 2.968 N/A CYS 196.A SG LEU 192.A O no hydrogen 3.336 N/A ARG 197.A N THR 194.A O no hydrogen 3.095 N/A VAL 199.A N CYS 196.A O no hydrogen 2.993 N/A TYR 202.A N CYS 175.A O no hydrogen 2.709 N/A TYR 202.A OH ASP 262.A OD2 no hydrogen 2.615 N/A GLU 203.A N ASN 200.A O no hydrogen 3.277 N/A VAL 204.A N SER 275.A OG.A no hydrogen 3.016 N/A VAL 204.A N SER 275.A OG.B no hydrogen 3.012 N/A VAL 205.A N PRO 173.A O no hydrogen 3.203 N/A HIS 207.A NE2 SER 188.A O no hydrogen 2.814 N/A ASP 208.A N GLU 146.A OE2 no hydrogen 3.324 N/A ALA 211.A N ASP 208.A OD1 no hydrogen 3.141 N/A ALA 212.A N ASP 208.A O no hydrogen 2.939 N/A TYR 213.A N PRO 209.A O no hydrogen 2.918 N/A GLN 214.A N PRO 209.A O no hydrogen 3.078 N/A GLN 214.A N TRP 210.A O no hydrogen 3.314 N/A GLN 214.A NE2 ALA 23.A O no hydrogen 2.800 N/A GLN 214.A NE2 THR 26.A O no hydrogen 3.057 N/A LYS 215.A N TRP 210.A O no hydrogen 2.895 N/A PHE 217.A N HIS 222.A ND1 no hydrogen 3.044 N/A GLN 219.A N GLN 219.A OE1 no hydrogen 2.673 N/A GLN 219.A NE2 ASP 157.A OD1 no hydrogen 3.274 N/A ALA 220.A N PHE 217.A O no hydrogen 2.951 N/A GLY 221.A N PRO 218.A O no hydrogen 2.934 N/A HIS 222.A N PHE 217.A O no hydrogen 3.198 N/A GLU 223.A N THR 226.A OG1 no hydrogen 2.898 N/A THR 226.A N GLU 223.A O no hydrogen 2.954 N/A THR 226.A OG1 GLU 223.A O no hydrogen 3.075 N/A LYS 229.A N TYR 213.A O no hydrogen 2.949 N/A LYS 229.A NZ GLN 214.A O no hydrogen 3.152 N/A LYS 229.A NZ TYR 224.A O no hydrogen 2.949 N/A GLY 230.A N LYS 215.A O no hydrogen 2.752 N/A ASN 231.A N ALA 211.A O no hydrogen 2.796 N/A ASN 231.A ND2 GLU 146.A O no hydrogen 3.432 N/A ASN 231.A ND2 TYR 169.A OH no hydrogen 2.994 N/A TYR 232.A N ALA 212.A O no hydrogen 2.759 N/A TYR 232.A OH TYR 286.A OH no hydrogen 2.797 N/A ALA 233.A N LYS 229.A O no hydrogen 3.045 N/A MET 234.A N GLY 230.A O no hydrogen 3.221 N/A LEU 235.A N ASN 231.A O no hydrogen 2.859 N/A MET 236.A N TYR 232.A O no hydrogen 2.955 N/A ALA 237.A N ALA 233.A O no hydrogen 3.084 N/A LEU 238.A N MET 234.A O no hydrogen 2.784 N/A LYS 239.A N LEU 235.A O no hydrogen 2.924 N/A LYS 239.A NZ PHE 285.A O no hydrogen 3.159 N/A LYS 239.A NZ ASP 287.A OD1 no hydrogen 3.287 N/A LYS 239.A NZ ASP 287.A OD2 no hydrogen 2.873 N/A GLN 240.A N MET 236.A O no hydrogen 3.158 N/A GLN 240.A NE2 ASP 114.A O no hydrogen 2.864 N/A ARG 241.A N ALA 237.A O no hydrogen 3.162 N/A ARG 241.A NH1 ASP 162.A OD1 no hydrogen 2.920 N/A ARG 241.A NH1 ASN 242.A OD1 no hydrogen 2.815 N/A ASN 242.A N LEU 238.A O no hydrogen 2.822 N/A ASN 242.A ND2 ASP 162.A OD1 no hydrogen 3.046 N/A LEU 245.A N ASN 242.A O no hydrogen 3.114 N/A LYS 246.A N THR 165.A O no hydrogen 3.014 N/A ILE 247.A N ASP 287.A OD2 no hydrogen 2.940 N/A ILE 248.A N ILE 167.A O no hydrogen 2.831 N/A SER 250.A N TYR 169.A O no hydrogen 2.878 N/A SER 250.A OG.A ASP 290.A OD2 no hydrogen 2.883 N/A SER 250.A OG.A ASP 292.A OD2 no hydrogen 2.899 N/A SER 250.A OG.B ASP 290.A OD2 no hydrogen 3.135 N/A ILE 251.A N ASP 290.A O no hydrogen 2.829 N/A GLY 252.A N ILE 172.A O no hydrogen 3.129 N/A GLY 253.A N ASP 292.A O no hydrogen 2.780 N/A LEU 256.A N GLY 253.A O no hydrogen 3.374 N/A SER 257.A OG GLY 253.A O no hydrogen 2.654 N/A SER 257.A OG ASP 292.A O no hydrogen 3.223 N/A PHE 260.A N SER 257.A O no hydrogen 3.027 N/A TYR 261.A N ASP 258.A O no hydrogen 3.252 N/A TYR 261.A OH PHE 295.A O no hydrogen 3.372 N/A ASP 262.A N PRO 259.A O no hydrogen 2.990 N/A PHE 263.A N PHE 260.A O no hydrogen 2.968 N/A ASP 265.A N ASP 262.A O no hydrogen 3.329 N/A LYS 266.A NZ ASP 270.A OD1 no hydrogen 2.842 N/A LYS 266.A NZ ASP 270.A OD2 no hydrogen 3.534 N/A LYS 267.A N ASP 265.A OD2 no hydrogen 3.003 N/A ASN 268.A N ASP 265.A O no hydrogen 2.994 N/A ASN 268.A ND2 ASP 262.A O no hydrogen 2.959 N/A ARG 269.A N ASP 265.A O no hydrogen 3.398 N/A ARG 269.A NE GLU 321.A OE1 no hydrogen 2.824 N/A ARG 269.A NE GLU 321.A OE2 no hydrogen 3.471 N/A ARG 269.A NH1 PHE 263.A O no hydrogen 2.811 N/A ARG 269.A NH2 GLU 321.A OE2 no hydrogen 3.043 N/A ASP 270.A N LYS 266.A O no hydrogen 2.807 N/A THR 271.A N LYS 267.A O no hydrogen 3.160 N/A THR 271.A OG1 LYS 267.A O no hydrogen 3.161 N/A PHE 272.A N ASN 268.A O no hydrogen 2.968 N/A VAL 273.A N ARG 269.A O no hydrogen 2.841 N/A ALA 274.A N ASP 270.A O no hydrogen 2.971 N/A SER 275.A N THR 271.A O no hydrogen 3.029 N/A SER 275.A OG.A PHE 272.A O no hydrogen 2.808 N/A VAL 276.A N PHE 272.A O no hydrogen 2.952 N/A LYS 277.A N VAL 273.A O no hydrogen 2.992 N/A LYS 277.A NZ GLU 328.A OE1 no hydrogen 2.819 N/A LYS 277.A NZ GLU 332.A OE2 no hydrogen 2.820 N/A LYS 278.A N ALA 274.A O no hydrogen 3.016 N/A PHE 279.A N SER 275.A O no hydrogen 2.856 N/A LEU 280.A N VAL 276.A O no hydrogen 2.891 N/A LYS 281.A N LYS 277.A O no hydrogen 2.945 N/A LYS 281.A NZ GLU 38.A OE1 no hydrogen 3.249 N/A THR 282.A N LYS 278.A O no hydrogen 2.987 N/A THR 282.A N PHE 279.A O no hydrogen 3.187 N/A THR 282.A OG1 LYS 278.A O no hydrogen 2.791 N/A TRP 283.A N PHE 279.A O no hydrogen 2.864 N/A TRP 283.A NE1 TYR 30.A OH no hydrogen 3.079 N/A LYS 284.A N THR 113.A OG1 no hydrogen 2.994 N/A LYS 284.A NZ LYS 281.A O no hydrogen 3.015 N/A TYR 286.A N TRP 283.A O no hydrogen 3.195 N/A TYR 286.A OH TYR 232.A OH no hydrogen 2.797 N/A ASP 287.A N ILE 247.A O no hydrogen 2.825 N/A VAL 289.A N GLU 338.A O no hydrogen 2.966 N/A ASP 290.A N PRO 249.A O no hydrogen 2.996 N/A ILE 291.A N THR 340.A O no hydrogen 2.908 N/A ASP 292.A N ILE 251.A O no hydrogen 2.846 N/A GLU 294.A N SER 257.A OG no hydrogen 2.894 N/A PHE 295.A N TYR 261.A OH no hydrogen 3.181 N/A GLY 297.A N ASP 311.A OD2 no hydrogen 2.833 N/A GLY 298.A N PHE 295.A O no hydrogen 2.883 N/A LYS 305.A N ALA 302.A O no hydrogen 3.288 N/A ASP 307.A N ASP 311.A OD2 no hydrogen 2.843 N/A VAL 309.A N ASP 307.A OD1 no hydrogen 3.031 N/A ASN 310.A N ASP 307.A OD1 no hydrogen 3.058 N/A ASN 310.A ND2 ASP 307.A OD2 no hydrogen 2.844 N/A ASP 311.A N ASP 307.A O no hydrogen 2.935 N/A ALA 314.A N ASN 310.A O no hydrogen 3.188 N/A TYR 315.A N ASP 311.A O no hydrogen 2.827 N/A TYR 315.A OH SER 341.A OG no hydrogen 2.663 N/A ILE 316.A N GLY 312.A O no hydrogen 2.902 N/A ALA 317.A N PRO 313.A O no hydrogen 2.928 N/A LEU 318.A N ALA 314.A O no hydrogen 2.831 N/A MET 319.A N TYR 315.A O no hydrogen 2.938 N/A ARG 320.A N ILE 316.A O no hydrogen 2.898 N/A GLU 321.A N ALA 317.A O no hydrogen 2.905 N/A LEU 322.A N LEU 318.A O no hydrogen 2.784 N/A ARG 323.A N MET 319.A O no hydrogen 2.924 N/A ARG 323.A NE ARG 323.A O no hydrogen 3.160 N/A ARG 323.A NH1 TYR 337.A O no hydrogen 2.989 N/A ARG 323.A NH2 ASP 327.A OD1 no hydrogen 2.781 N/A ARG 323.A NH2 GLU 330.A OE2 no hydrogen 3.128 N/A VAL 324.A N ARG 320.A O no hydrogen 3.034 N/A MET 325.A N GLU 321.A O no hydrogen 3.088 N/A LEU 326.A N LEU 322.A O no hydrogen 2.847 N/A ASP 327.A N ARG 323.A O no hydrogen 2.922 N/A GLU 328.A N VAL 324.A O no hydrogen 3.158 N/A LEU 329.A N MET 325.A O no hydrogen 3.053 N/A GLU 330.A N LEU 326.A O no hydrogen 2.866 N/A ALA 331.A N ASP 327.A O no hydrogen 2.902 N/A GLU 332.A N GLU 328.A O no hydrogen 3.035 N/A THR 333.A N LEU 329.A O no hydrogen 2.966 N/A THR 333.A OG1 LEU 329.A O no hydrogen 2.791 N/A GLY 334.A N GLU 330.A O no hydrogen 2.757 N/A ARG 335.A N THR 333.A OG1 no hydrogen 2.996 N/A ARG 335.A NH1 LYS 284.A O no hydrogen 2.821 N/A ARG 335.A NH2 LYS 284.A O no hydrogen 2.991 N/A ARG 335.A NH2 ASP 287.A OD1 no hydrogen 3.342 N/A TYR 337.A N GLU 330.A OE2 no hydrogen 2.769 N/A GLU 338.A N ASP 287.A O no hydrogen 2.949 N/A LEU 339.A N ASP 363.A OD2 no hydrogen 2.917 N/A THR 340.A N VAL 289.A O no hydrogen 2.940 N/A THR 340.A OG1 ASP 290.A OD1 no hydrogen 2.894 N/A SER 341.A N TYR 364.A O no hydrogen 3.295 N/A SER 341.A OG ILE 291.A O no hydrogen 2.740 N/A SER 341.A OG TYR 315.A OH no hydrogen 2.663 N/A SER 341.A OG ALA 342.A O no hydrogen 3.557 N/A ALA 342.A N ILE 291.A O no hydrogen 3.250 N/A ALA 342.A N ASP 292.A OD1 no hydrogen 3.149 N/A ILE 343.A N PHE 366.A O no hydrogen 2.979 N/A LYS 349.A N GLY 346.A O no hydrogen 2.908 N/A LYS 349.A NZ ASP 348.A OD2 no hydrogen 3.058 N/A ILE 350.A N GLY 346.A O no hydrogen 3.004 N/A GLU 351.A N TYR 347.A O no hydrogen 2.971 N/A ASP 352.A N LYS 349.A O no hydrogen 3.188 N/A VAL 353.A N ILE 350.A O no hydrogen 3.201 N/A TYR 355.A N VAL 353.A O no hydrogen 3.029 N/A ASP 357.A N ASP 354.A O no hydrogen 3.041 N/A ALA 358.A N ASP 354.A O no hydrogen 3.117 N/A VAL 359.A N TYR 355.A O no hydrogen 2.945 N/A GLN 360.A N ASP 357.A O no hydrogen 3.477 N/A GLN 360.A NE2 ASP 357.A O no hydrogen 2.959 N/A TYR 361.A N ALA 358.A O no hydrogen 3.056 N/A MET 362.A N VAL 359.A O no hydrogen 3.008 N/A ASP 363.A N LEU 339.A O no hydrogen 2.755 N/A ILE 365.A N LYS 432.A O no hydrogen 2.815 N/A PHE 366.A N SER 341.A O no hydrogen 2.749 N/A ALA 367.A N VAL 434.A O no hydrogen 2.884 N/A MET 368.A N ILE 343.A O no hydrogen 2.872 N/A THR 369.A N ALA 367.A O no hydrogen 2.784 N/A THR 369.A OG1 ALA 367.A O no hydrogen 3.396 N/A THR 369.A OG1 GLY 436.A O no hydrogen 2.760 N/A ASP 371.A N GLN 383.A OE1 no hydrogen 2.924 N/A PHE 372.A N GLN 383.A O no hydrogen 2.891 N/A ASN 377.A N GLY 374.A O no hydrogen 3.486 N/A VAL 379.A N ASN 377.A OD1 no hydrogen 3.028 N/A HIS 382.A NE2 ASP 506.A OD2 no hydrogen 3.039 N/A GLN 383.A N THR 524.A OG1 no hydrogen 2.854 N/A GLN 383.A NE2 THR 524.A O no hydrogen 3.509 N/A THR 384.A OG1 THR 369.A O no hydrogen 2.584 N/A THR 384.A OG1 ASP 526.A OD2 no hydrogen 3.566 N/A LEU 386.A N.B ALA 509.A O no hydrogen 3.065 N/A TYR 387.A N ALA 509.A O no hydrogen 3.009 N/A SER 390.A N ASP 506.A OD2 no hydrogen 2.940 N/A MET 392.A N GLY 389.A O no hydrogen 3.125 N/A ARG 393.A N GLN 396.A OE1 no hydrogen 2.886 N/A ARG 393.A NE VAL 402.A O no hydrogen 3.211 N/A ARG 393.A NH2 VAL 402.A O no hydrogen 2.902 N/A GLN 396.A N ARG 393.A O no hydrogen 2.904 N/A GLY 399.A N GLN 396.A O no hydrogen 3.285 N/A GLY 400.A N ASP 398.A OD2 no hydrogen 2.967 N/A GLY 401.A N GLY 395.A O no hydrogen 2.934 N/A ASP 403.A N GLU 407.A O no hydrogen 2.819 N/A ASN 405.A N ASP 403.A OD1 no hydrogen 2.948 N/A GLY 406.A N ASP 403.A O no hydrogen 2.924 N/A GLU 407.A N ASP 403.A OD1 no hydrogen 2.950 N/A TYR 409.A N GLY 401.A O no hydrogen 3.041 N/A ALA 413.A N CYS 397.A O no hydrogen 2.912 N/A TYR 414.A OH ASP 348.A OD1 no hydrogen 2.482 N/A TYR 414.A OH ASP 348.A OD2 no hydrogen 3.285 N/A THR 415.A OG1 LEU 386.A O.A no hydrogen 3.360 N/A ALA 416.A N ALA 385.A O no hydrogen 2.913 N/A ASP 417.A N LEU 386.A O.A no hydrogen 2.848 N/A ASP 417.A N LEU 386.A O.B no hydrogen 2.823 N/A ASN 418.A N THR 415.A OG1 no hydrogen 3.017 N/A ASN 418.A ND2 CYS 397.A O no hydrogen 3.000 N/A ASN 418.A ND2 ALA 413.A O no hydrogen 2.855 N/A GLY 419.A N THR 415.A O no hydrogen 3.318 N/A ILE 420.A N ALA 416.A O no hydrogen 2.949 N/A GLN 421.A N ASP 417.A O no hydrogen 2.889 N/A GLN 421.A NE2 ASP 417.A OD1 no hydrogen 3.095 N/A LEU 422.A N ASN 418.A O no hydrogen 3.126 N/A LEU 423.A N GLY 419.A O no hydrogen 3.039 N/A LEU 424.A N ILE 420.A O no hydrogen 2.863 N/A ALA 425.A N GLN 421.A O no hydrogen 2.912 N/A GLN 426.A N LEU 423.A O no hydrogen 3.313 N/A GLY 427.A N LEU 424.A O no hydrogen 2.980 N/A VAL 428.A N LEU 423.A O no hydrogen 3.169 N/A ASN 431.A ND2 THR 572.A O no hydrogen 2.862 N/A LYS 432.A N PRO 429.A O no hydrogen 3.014 N/A LYS 432.A NZ VAL 359.A O no hydrogen 2.990 N/A LYS 432.A NZ MET 362.A O no hydrogen 2.950 N/A LEU 433.A N ALA 430.A O no hydrogen 3.018 N/A VAL 434.A N ILE 365.A O no hydrogen 2.866 N/A LEU 435.A N GLY 545.A O no hydrogen 2.984 N/A GLY 436.A N THR 369.A OG1 no hydrogen 2.819 N/A THR 437.A N PHE 547.A O no hydrogen 2.699 N/A THR 437.A OG1.A PHE 547.A O no hydrogen 3.136 N/A THR 437.A OG1.B PHE 547.A O no hydrogen 3.132 N/A ALA 438.A N ASP 526.A OD2 no hydrogen 2.980 N/A MET 439.A N TRP 549.A O.A no hydrogen 2.837 N/A MET 439.A N TRP 549.A O.B no hydrogen 2.923 N/A TYR 440.A OH ASP 371.A OD1 no hydrogen 2.694 N/A GLY 441.A N ILE 481.A O no hydrogen 2.796 N/A ARG 442.A N THR 524.A O no hydrogen 2.899 N/A ARG 442.A NE ASP 371.A OD1 no hydrogen 2.714 N/A ARG 442.A NH2 ASP 371.A OD1 no hydrogen 2.960 N/A GLY 443.A N GLY 479.A O no hydrogen 2.918 N/A TRP 444.A N LEU 522.A O no hydrogen 2.902 N/A TRP 444.A NE1 GLY 374.A O no hydrogen 3.110 N/A TRP 444.A NE1 ASN 377.A O no hydrogen 3.033 N/A GLU 445.A N GLY 465.A O no hydrogen 2.867 N/A VAL 447.A N GLY 520.A O no hydrogen 2.821 N/A THR 448.A N GLY 446.A O no hydrogen 2.965 N/A THR 448.A OG1 ASP 450.A OD1 no hydrogen 2.598 N/A THR 451.A N THR 448.A O no hydrogen 2.939 N/A THR 451.A OG1 THR 448.A O no hydrogen 2.885 N/A LEU 452.A N PRO 449.A O no hydrogen 3.377 N/A THR 453.A N THR 460.A O no hydrogen 3.260 N/A ASP 454.A N THR 460.A OG1 no hydrogen 2.997 N/A ASN 456.A N ASP 454.A OD1 no hydrogen 2.978 N/A ASP 457.A N ASP 454.A O no hydrogen 2.836 N/A MET 459.A N ASP 457.A OD1 no hydrogen 3.097 N/A THR 460.A N ASP 457.A O no hydrogen 2.959 N/A THR 460.A OG1 ASP 454.A O no hydrogen 3.329 N/A THR 460.A OG1 ASP 457.A O no hydrogen 2.802 N/A GLY 461.A N PRO 458.A O no hydrogen 2.917 N/A THR 462.A N THR 451.A OG1 no hydrogen 3.119 N/A ALA 463.A N ASN 378.A O no hydrogen 3.135 N/A THR 464.A N GLU 445.A O no hydrogen 2.867 N/A THR 464.A OG1 GLU 445.A O no hydrogen 3.303 N/A LEU 467.A N GLY 443.A O no hydrogen 2.979 N/A LYS 468.A NZ GLU 445.A OE2 no hydrogen 3.256 N/A LYS 468.A NZ LYS 466.A O no hydrogen 2.818 N/A SER 470.A N GLN 473.A OE1 no hydrogen 2.932 N/A GLN 473.A N SER 470.A O no hydrogen 3.023 N/A GLY 474.A N THR 471.A O no hydrogen 2.888 N/A VAL 475.A N SER 470.A O no hydrogen 3.041 N/A TRP 476.A NE1 ASP 482.A OD2 no hydrogen 3.039 N/A GLY 479.A N LEU 467.A O no hydrogen 2.766 N/A VAL 480.A N GLU 477.A O no hydrogen 3.192 N/A ILE 481.A N GLY 441.A O no hydrogen 2.931 N/A ASP 482.A N GLY 474.A O no hydrogen 2.845 N/A TYR 483.A N MET 439.A O no hydrogen 2.883 N/A TYR 483.A OH ASP 557.A OD2 no hydrogen 2.658 N/A LYS 484.A N ALA 553.A O no hydrogen 2.926 N/A LYS 484.A NZ ASP 552.A O no hydrogen 3.047 N/A ILE 486.A N ASP 482.A O no hydrogen 3.056 N/A LYS 487.A N TYR 483.A O no hydrogen 2.859 N/A LYS 487.A NZ GLY 492.A O no hydrogen 2.907 N/A LYS 487.A NZ ALA 493.A O no hydrogen 3.366 N/A LYS 487.A NZ ASN 495.A OD1 no hydrogen 2.791 N/A SER 488.A N LYS 484.A O no hydrogen 3.079 N/A SER 488.A OG LYS 484.A O no hydrogen 3.266 N/A PHE 489.A N GLY 485.A O no hydrogen 2.896 N/A MET 490.A N ILE 486.A O no hydrogen 2.882 N/A LEU 491.A N ILE 486.A O no hydrogen 2.943 N/A GLY 492.A N LYS 487.A O no hydrogen 2.911 N/A ASN 495.A N GLY 492.A O no hydrogen 3.031 N/A GLY 497.A N LEU 491.A O no hydrogen 2.927 N/A ILE 498.A N MET 490.A O no hydrogen 2.865 N/A ASN 499.A ND2 PHE 489.A O no hydrogen 3.068 N/A PHE 501.A N ILE 498.A O no hydrogen 2.947 N/A GLU 502.A N TRP 515.A O no hydrogen 2.797 N/A TYR 503.A OH ASP 527.A OD2 no hydrogen 2.601 N/A GLY 504.A N TRP 513.A O no hydrogen 2.954 N/A TYR 505.A OH GLU 510.A OE1 no hydrogen 2.650 N/A ASP 506.A N ALA 511.A O no hydrogen 2.830 N/A GLN 508.A N ASP 506.A OD1 no hydrogen 3.074 N/A GLN 508.A NE2 CYS 388.A O no hydrogen 3.000 N/A ALA 509.A N ASP 506.A OD1 no hydrogen 3.106 N/A ALA 511.A N ASP 506.A O no hydrogen 3.254 N/A TRP 513.A N GLY 504.A O no hydrogen 2.924 N/A VAL 514.A N ILE 523.A O no hydrogen 3.074 N/A TRP 515.A N GLU 502.A O no hydrogen 2.857 N/A TRP 515.A NE1 VAL 447.A O no hydrogen 2.744 N/A ASN 516.A N GLU 521.A O no hydrogen 2.795 N/A ARG 517.A NE GLU 502.A OE1 no hydrogen 2.729 N/A ARG 517.A NH1 GLU 502.A OE1 no hydrogen 3.454 N/A ARG 517.A NH1 GLU 502.A OE2 no hydrogen 3.422 N/A THR 519.A N ASN 516.A OD1 no hydrogen 3.117 N/A THR 519.A OG1 GLU 521.A OE1 no hydrogen 2.723 N/A GLY 520.A N ASN 516.A O no hydrogen 2.800 N/A GLU 521.A N THR 519.A OG1 no hydrogen 3.252 N/A LEU 522.A N TRP 444.A O no hydrogen 2.971 N/A ILE 523.A N VAL 514.A O no hydrogen 2.916 N/A THR 524.A N ARG 442.A O no hydrogen 2.849 N/A ASP 527.A N SER 530.A OG no hydrogen 2.896 N/A HIS 528.A NE2 GLU 564.A OE1.A no hydrogen 2.512 N/A HIS 528.A NE2 GLU 564.A OE1.B no hydrogen 3.357 N/A SER 530.A N ASP 527.A OD1 no hydrogen 2.992 N/A SER 530.A OG ASP 526.A OD1 no hydrogen 2.624 N/A SER 530.A OG ASP 527.A O no hydrogen 3.307 N/A SER 530.A OG ASP 527.A OD1 no hydrogen 3.420 N/A VAL 531.A N ASP 527.A O no hydrogen 2.863 N/A LEU 532.A N HIS 528.A O no hydrogen 2.937 N/A ALA 533.A N ARG 529.A O no hydrogen 3.011 N/A LYS 534.A N SER 530.A O no hydrogen 2.893 N/A LYS 534.A NZ THR 384.A O no hydrogen 3.055 N/A LYS 534.A NZ THR 384.A OG1 no hydrogen 2.692 N/A LYS 534.A NZ GLY 436.A O no hydrogen 3.034 N/A LYS 534.A NZ ASP 526.A OD1 no hydrogen 3.503 N/A LYS 534.A NZ ASP 526.A OD2 no hydrogen 2.718 N/A GLY 535.A N VAL 531.A O no hydrogen 2.885 N/A ASN 536.A N LEU 532.A O no hydrogen 2.929 N/A TYR 537.A N ALA 533.A O no hydrogen 2.869 N/A TYR 537.A OH ASP 417.A OD1 no hydrogen 2.637 N/A ALA 538.A N LYS 534.A O no hydrogen 2.833 N/A LYS 539.A N GLY 535.A O no hydrogen 2.897 N/A LYS 539.A NZ ALA 567.A O no hydrogen 2.838 N/A SER 540.A N ASN 536.A O no hydrogen 2.922 N/A SER 540.A OG.A TYR 537.A O no hydrogen 2.869 N/A LEU 541.A N TYR 537.A O no hydrogen 3.014 N/A GLY 542.A N LYS 539.A O no hydrogen 3.257 N/A LEU 543.A N ALA 538.A O no hydrogen 2.984 N/A ALA 544.A N LEU 433.A O no hydrogen 2.822 N/A LEU 546.A N VAL 139.A O no hydrogen 2.953 N/A PHE 547.A N LEU 435.A O no hydrogen 2.901 N/A SER 548.A N GLY 141.A O no hydrogen 2.988 N/A SER 548.A OG GLY 141.A O no hydrogen 3.059 N/A SER 548.A OG THR 142.A OG1 no hydrogen 2.824 N/A TRP 549.A N.A THR 437.A O no hydrogen 3.263 N/A TRP 549.A N.B THR 437.A O no hydrogen 3.258 N/A ILE 551.A N TYR 143.A O.A no hydrogen 3.010 N/A ILE 551.A N TYR 143.A O.B no hydrogen 2.978 N/A ALA 553.A N GLU 550.A O no hydrogen 2.981 N/A ASP 554.A N ILE 551.A O no hydrogen 3.242 N/A ASN 555.A ND2 ASP 557.A OD2 no hydrogen 3.147 N/A ASP 557.A N ASN 555.A OD1 no hydrogen 2.789 N/A ILE 558.A N ASP 554.A OD1 no hydrogen 2.929 N/A LEU 559.A N ASP 554.A OD2 no hydrogen 3.028 N/A ASN 560.A N GLY 556.A O no hydrogen 2.844 N/A ASN 560.A ND2 ASN 128.A O no hydrogen 2.830 N/A ALA 561.A N ASP 557.A O no hydrogen 3.003 N/A MET 562.A N ILE 558.A O no hydrogen 2.864 N/A HIS 563.A N LEU 559.A O no hydrogen 3.130 N/A HIS 563.A ND1 THR 134.A OG1 no hydrogen 2.668 N/A HIS 563.A NE2 ASN 163.A O no hydrogen 2.743 N/A GLU 564.A N ASN 560.A O no hydrogen 2.900 N/A GLY 565.A N ALA 561.A O no hydrogen 2.880 N/A MET 566.A N HIS 563.A O no hydrogen 3.090 N/A ALA 567.A N GLU 564.A O no hydrogen 3.303 N/A GLY 569.A N MET 566.A O no hydrogen 3.008 N/A VAL 571.A N SER 137.A OG no hydrogen 2.977 N/A