Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3og2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A NE2 VAL 9.A O no hydrogen 2.783 N/A ILE 8.A N GLN 6.A OE1 no hydrogen 2.832 N/A VAL 9.A N GLN 6.A OE1 no hydrogen 2.819 N/A THR 10.A N PHE 17.A O no hydrogen 2.970 N/A ASP 12.A N SER 15.A O no hydrogen 3.021 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.802 N/A HIS 14.A N ASP 12.A OD1 no hydrogen 2.864 N/A SER 15.A N ASP 12.A OD1 no hydrogen 3.278 N/A SER 15.A OG LEU 16.A O no hydrogen 2.875 N/A PHE 17.A N THR 10.A O no hydrogen 2.756 N/A VAL 18.A N GLU 21.A O no hydrogen 2.937 N/A HIS 19.A N ILE 8.A O no hydrogen 2.844 N/A GLU 21.A N VAL 18.A O no hydrogen 3.028 N/A ARG 22.A NH1 ASP 12.A OD1 no hydrogen 2.909 N/A ARG 22.A NH1 SER 15.A OG no hydrogen 2.956 N/A ARG 22.A NH2 ASP 12.A OD2 no hydrogen 2.754 N/A VAL 23.A N LEU 16.A O no hydrogen 3.240 N/A ILE 25.A N THR 300.A O no hydrogen 2.918 N/A PHE 26.A N ASN 54.A OD1 no hydrogen 3.048 N/A SER 27.A N PHE 302.A O no hydrogen 2.835 N/A SER 27.A OG ASN 303.A OD1 no hydrogen 2.774 N/A GLY 28.A N THR 55.A O no hydrogen 3.052 N/A GLU 29.A N ILE 304.A O no hydrogen 2.940 N/A VAL 30.A N SER 57.A O no hydrogen 2.955 N/A HIS 31.A NE2 GLU 29.A OE2 no hydrogen 2.785 N/A ARG 34.A N HIS 31.A O no hydrogen 2.939 N/A ARG 34.A NE ASN 312.A OD1 no hydrogen 2.879 N/A ARG 34.A NH1 HIS 31.A ND1 no hydrogen 2.913 N/A ARG 34.A NH1 ALA 104.A O no hydrogen 2.901 N/A ARG 34.A NH2 ALA 104.A O no hydrogen 2.912 N/A ARG 34.A NH2 ASN 312.A OD1 no hydrogen 2.808 N/A LEU 35.A N PRO 32.A O no hydrogen 3.200 N/A LEU 40.A N VAL 37.A O no hydrogen 2.903 N/A TYR 41.A N PRO 38.A O no hydrogen 3.274 N/A TYR 41.A OH PRO 32.A O no hydrogen 2.741 N/A TYR 41.A OH LEU 35.A O no hydrogen 3.039 N/A VAL 44.A N LEU 40.A O no hydrogen 3.199 N/A PHE 45.A N TYR 41.A O no hydrogen 2.871 N/A HIS 46.A N LEU 42.A O no hydrogen 2.808 N/A LYS 47.A N ASP 43.A O no hydrogen 3.146 N/A LYS 47.A NZ ASP 43.A OD1 no hydrogen 3.201 N/A LYS 47.A NZ ASP 43.A OD2 no hydrogen 2.892 N/A LYS 47.A NZ ARG 335.A O no hydrogen 2.810 N/A ILE 48.A N VAL 44.A O no hydrogen 2.936 N/A LYS 49.A N PHE 45.A O no hydrogen 2.801 N/A LYS 49.A NZ GLY 91.A O no hydrogen 2.852 N/A ALA 50.A N HIS 46.A O no hydrogen 3.006 N/A LEU 51.A N ILE 48.A O no hydrogen 3.014 N/A GLY 52.A N LYS 49.A O no hydrogen 2.955 N/A ASN 54.A N PHE 26.A O no hydrogen 2.976 N/A ASN 54.A ND2 VAL 24.A O no hydrogen 2.811 N/A THR 55.A OG1 ASN 54.A OD1 no hydrogen 2.867 N/A VAL 56.A N TYR 93.A O no hydrogen 2.861 N/A SER 57.A N GLY 28.A O no hydrogen 2.994 N/A SER 57.A OG GLU 29.A OE1 no hydrogen 2.649 N/A PHE 58.A N LEU 95.A O no hydrogen 2.991 N/A TYR 59.A OH ASN 162.A OD1 no hydrogen 2.713 N/A VAL 60.A N ARG 97.A O no hydrogen 3.280 N/A TRP 62.A NE1 GLU 66.A OE1 no hydrogen 2.843 N/A ALA 63.A N ASP 61.A OD1 no hydrogen 3.190 N/A LEU 64.A N ASP 61.A O no hydrogen 3.032 N/A LEU 65.A N TRP 62.A O no hydrogen 2.838 N/A GLU 66.A N TRP 62.A O no hydrogen 2.997 N/A LYS 68.A NZ ASP 814.A OD1 no hydrogen 2.663 N/A GLY 70.A N GLU 66.A OE2 no hydrogen 2.781 N/A ARG 71.A N LYS 68.A O no hydrogen 2.957 N/A ARG 71.A NH1 PHE 72.A O no hydrogen 3.192 N/A ARG 73.A N LEU 65.A O no hydrogen 2.760 N/A PHE 78.A N ASP 75.A O no hydrogen 2.925 N/A SER 79.A N GLY 76.A O no hydrogen 3.034 N/A GLU 81.A N SER 79.A OG no hydrogen 3.027 N/A PHE 84.A N LEU 80.A O no hydrogen 2.893 N/A GLU 85.A N GLU 81.A O no hydrogen 2.845 N/A ALA 86.A N PRO 82.A O no hydrogen 2.923 N/A ALA 87.A N PHE 83.A O no hydrogen 3.002 N/A THR 88.A N PHE 84.A O no hydrogen 2.985 N/A THR 88.A OG1 PHE 84.A O no hydrogen 3.376 N/A LYS 89.A N GLU 85.A O no hydrogen 2.879 N/A ALA 90.A N ALA 86.A O no hydrogen 2.892 N/A GLY 91.A N THR 88.A O no hydrogen 3.224 N/A ILE 92.A N ALA 87.A O no hydrogen 2.945 N/A TYR 93.A N ASN 54.A O no hydrogen 2.857 N/A LEU 94.A N PRO 154.A O no hydrogen 2.808 N/A LEU 95.A N VAL 56.A O no hydrogen 2.869 N/A ALA 96.A N LEU 157.A O no hydrogen 3.018 N/A ARG 97.A N PHE 58.A O no hydrogen 2.823 N/A ARG 97.A NH1 GLN 159.A OE1 no hydrogen 2.853 N/A ARG 97.A NH1 GLU 261.A OE2 no hydrogen 2.981 N/A ARG 97.A NH2 GLU 29.A OE2 no hydrogen 2.758 N/A ARG 97.A NH2 GLU 261.A OE2 no hydrogen 3.287 N/A TYR 101.A OH ASN 103.A OD1 no hydrogen 2.638 N/A ILE 102.A N GLY 109.A O no hydrogen 2.910 N/A ASN 103.A N GLY 109.A O no hydrogen 2.965 N/A GLU 105.A N GLU 772.A OE2 no hydrogen 2.807 N/A VAL 106.A N ASN 103.A O no hydrogen 3.253 N/A SER 107.A N LEU 316.A O no hydrogen 2.717 N/A GLY 108.A N LEU 770.A O no hydrogen 2.869 N/A GLY 109.A N VAL 106.A O no hydrogen 2.848 N/A GLY 110.A N SER 107.A O no hydrogen 3.170 N/A PHE 111.A N GLY 108.A O no hydrogen 3.033 N/A TRP 114.A NE1 GLU 66.A O no hydrogen 2.832 N/A LEU 115.A N PRO 112.A O no hydrogen 2.900 N/A GLN 116.A N GLY 113.A O no hydrogen 2.929 N/A GLN 116.A NE2 MET 781.A O no hydrogen 2.978 N/A GLN 116.A NE2 ALA 783.A O no hydrogen 2.944 N/A ARG 117.A N TRP 114.A O no hydrogen 2.998 N/A ARG 117.A NH1 SER 687.A O no hydrogen 2.925 N/A ARG 117.A NH1 GLU 813.A OE2 no hydrogen 2.790 N/A ARG 117.A NH2 GLU 813.A OE1 no hydrogen 3.086 N/A ARG 117.A NH2 GLU 813.A OE2 no hydrogen 3.236 N/A VAL 118.A N LEU 115.A O no hydrogen 3.068 N/A GLY 120.A N ASP 128.A OD2 no hydrogen 2.759 N/A LYS 121.A NZ.B GLY 777.A O no hydrogen 2.896 N/A LEU 122.A N ASP 779.A OD1 no hydrogen 2.882 N/A ARG 123.A NE GLU 161.A OE2 no hydrogen 2.932 N/A ARG 123.A NH1 ASN 773.A O no hydrogen 2.925 N/A ARG 123.A NH1 TRP 774.A O no hydrogen 3.215 N/A ARG 123.A NH2 GLU 161.A OE1 no hydrogen 2.747 N/A THR 124.A OG1 LYS 121.A O no hydrogen 2.732 N/A ALA 126.A N THR 124.A OG1 no hydrogen 3.115 N/A TYR 129.A N ASP 128.A OD1 no hydrogen 2.993 N/A LEU 130.A N ALA 126.A O no hydrogen 2.961 N/A HIS 131.A N PRO 127.A O no hydrogen 2.838 N/A HIS 131.A ND1 ASP 134.A OD2 no hydrogen 3.088 N/A ALA 132.A N ASP 128.A O no hydrogen 3.063 N/A THR 133.A N TYR 129.A O no hydrogen 3.230 N/A THR 133.A N LEU 130.A O no hydrogen 3.003 N/A THR 133.A OG1 LEU 130.A O no hydrogen 2.686 N/A ASP 134.A N HIS 131.A O no hydrogen 3.234 N/A ASN 135.A ND2 GLU 66.A OE2 no hydrogen 3.063 N/A TYR 136.A OH PRO 98.A O no hydrogen 2.659 N/A VAL 137.A N THR 133.A O no hydrogen 2.984 N/A ALA 138.A N ASP 134.A O no hydrogen 2.908 N/A HIS 139.A N ASN 135.A O no hydrogen 3.084 N/A HIS 139.A ND1 ASN 135.A O no hydrogen 2.845 N/A ILE 140.A N TYR 136.A O no hydrogen 2.816 N/A ALA 141.A N VAL 137.A O no hydrogen 2.797 N/A SER 142.A N ALA 138.A O no hydrogen 3.269 N/A SER 142.A OG.A ALA 138.A O no hydrogen 2.772 N/A SER 142.A OG.A ALA 189.A O no hydrogen 3.484 N/A SER 142.A OG.C ALA 138.A O no hydrogen 3.044 N/A SER 142.A OG.C HIS 139.A O no hydrogen 2.905 N/A ILE 143.A N HIS 139.A O no hydrogen 3.048 N/A ILE 144.A N ILE 140.A O no hydrogen 2.885 N/A ALA 145.A N ALA 141.A O no hydrogen 2.782 N/A LYS 146.A N SER 142.A O no hydrogen 3.111 N/A ALA 147.A N ILE 144.A O no hydrogen 2.938 N/A GLN 148.A N ALA 145.A O no hydrogen 3.125 N/A GLN 148.A NE2 ALA 145.A O no hydrogen 2.950 N/A GLN 148.A NE2 GLY 190.A O no hydrogen 3.101 N/A ILE 149.A N VAL 155.A O no hydrogen 2.854 N/A ASN 151.A N GLN 148.A O no hydrogen 2.842 N/A ASN 151.A ND2 ALA 145.A O no hydrogen 2.838 N/A ASN 151.A ND2 LYS 146.A O no hydrogen 3.582 N/A GLY 152.A N ILE 149.A O no hydrogen 3.112 N/A GLY 153.A N GLN 148.A O no hydrogen 2.943 N/A VAL 155.A N ALA 147.A O no hydrogen 2.917 N/A ILE 156.A N LEU 94.A O no hydrogen 2.838 N/A TYR 158.A N PRO 194.A O no hydrogen 3.102 N/A GLN 159.A N ALA 96.A O no hydrogen 2.871 N/A GLN 159.A NE2 GLU 161.A O no hydrogen 2.890 N/A GLN 159.A NE2 ASN 162.A OD1 no hydrogen 3.091 N/A GLU 161.A N GLY 99.A O no hydrogen 2.928 N/A ASN 162.A N GLU 161.A OE1 no hydrogen 2.753 N/A GLU 163.A N ASN 198.A OD1 no hydrogen 2.885 N/A SER 165.A OG ASP 199.A OD1 no hydrogen 2.653 N/A ALA 168.A N THR 776.A O no hydrogen 2.841 N/A VAL 171.A N ALA 168.A O no hydrogen 3.106 N/A ASN 175.A N TYR 164.A OH no hydrogen 2.911 N/A ASN 175.A ND2 ASP 125.A OD1 no hydrogen 2.947 N/A LYS 176.A NZ THR 210.A O no hydrogen 2.758 N/A TYR 178.A N ASN 175.A OD1 no hydrogen 3.075 N/A TYR 178.A OH GLU 161.A OE2 no hydrogen 2.585 N/A MET 179.A N ASN 175.A O no hydrogen 2.939 N/A GLN 180.A N LYS 176.A O no hydrogen 2.854 N/A GLN 180.A NE2 ASP 184.A OD1 no hydrogen 2.903 N/A TYR 181.A N PRO 177.A O no hydrogen 2.910 N/A TYR 181.A OH ASP 134.A OD1 no hydrogen 2.645 N/A VAL 182.A N TYR 178.A O no hydrogen 3.064 N/A ILE 183.A N MET 179.A O no hydrogen 3.072 N/A ASP 184.A N GLN 180.A O no hydrogen 2.805 N/A GLN 185.A N TYR 181.A O no hydrogen 2.929 N/A GLN 185.A NE2 THR 133.A OG1 no hydrogen 2.995 N/A GLN 185.A NE2 ASP 134.A OD1 no hydrogen 2.915 N/A ALA 186.A N VAL 182.A O no hydrogen 3.405 N/A ARG 187.A N ILE 183.A O no hydrogen 2.922 N/A ARG 187.A NH1 ILE 191.A O no hydrogen 2.965 N/A ARG 187.A NH1 VAL 193.A O no hydrogen 2.861 N/A ASN 188.A N ASP 184.A O no hydrogen 2.768 N/A ALA 189.A N GLN 185.A O no hydrogen 3.212 N/A ALA 189.A N ALA 186.A O no hydrogen 3.100 N/A GLY 190.A N ARG 187.A O no hydrogen 3.016 N/A ILE 191.A N ALA 186.A O no hydrogen 3.130 N/A ILE 192.A N GLN 148.A OE1 no hydrogen 2.766 N/A VAL 193.A N GLN 148.A OE1 no hydrogen 3.126 N/A LEU 195.A N ASP 216.A OD2 no hydrogen 2.867 N/A ILE 196.A N TYR 158.A O no hydrogen 2.943 N/A ASN 197.A N ILE 217.A O no hydrogen 3.345 N/A ASN 197.A ND2 THR 205.A O no hydrogen 2.848 N/A ASN 198.A ND2 ASN 162.A OD1 no hydrogen 2.970 N/A ASN 198.A ND2 ASP 221.A OD2 no hydrogen 3.152 N/A ASP 199.A N GLY 219.A O no hydrogen 2.915 N/A ALA 200.A N SER 165.A OG no hydrogen 2.741 N/A GLY 203.A N ASP 199.A OD2 no hydrogen 3.203 N/A GLY 203.A N PHE 201.A O no hydrogen 2.719 N/A GLY 204.A N TYR 218.A OH no hydrogen 3.014 N/A THR 205.A N ASP 199.A OD2 no hydrogen 3.052 N/A ALA 207.A N GLY 204.A O no hydrogen 3.265 N/A THR 210.A N ALA 207.A O no hydrogen 3.000 N/A THR 210.A OG1 ALA 207.A O no hydrogen 2.623 N/A GLY 213.A N GLN 180.A OE1 no hydrogen 2.836 N/A SER 214.A N GLY 211.A O no hydrogen 3.048 N/A SER 214.A OG GLY 211.A O no hydrogen 2.736 N/A VAL 215.A N GLY 206.A O no hydrogen 2.942 N/A ASP 216.A N LEU 195.A O no hydrogen 2.930 N/A ILE 217.A N LEU 195.A O no hydrogen 3.024 N/A TYR 218.A OH ASP 199.A OD2 no hydrogen 2.582 N/A GLY 219.A N ASN 197.A OD1 no hydrogen 2.846 N/A HIS 220.A N SER 258.A O no hydrogen 3.154 N/A HIS 220.A ND1 ASP 221.A O no hydrogen 3.040 N/A ASP 221.A N ASP 199.A O no hydrogen 2.823 N/A GLY 222.A N GLU 261.A O no hydrogen 2.870 N/A TYR 223.A OH GLU 261.A OE1 no hydrogen 2.649 N/A LEU 225.A N.A GLN 263.A OE1 no hydrogen 2.951 N/A LEU 225.A N.B GLN 263.A OE1 no hydrogen 3.008 N/A GLY 226.A N.A TYR 223.A O no hydrogen 3.246 N/A GLY 226.A N.B TYR 223.A O no hydrogen 2.967 N/A CYS 229.A N.A PHE 227.A O.A no hydrogen 2.866 N/A CYS 229.A SG.A PHE 227.A O.A no hydrogen 3.913 N/A CYS 229.A SG.A PHE 227.A O.B no hydrogen 3.984 N/A CYS 229.A SG.B PHE 227.A O.A no hydrogen 3.759 N/A CYS 229.A SG.B PHE 227.A O.B no hydrogen 3.675 N/A CYS 229.A SG.B PHE 267.A O.B no hydrogen 3.944 N/A ALA 230.A N ASP 228.A OD1.B no hydrogen 3.268 N/A HIS 231.A N ASP 228.A O.A no hydrogen 2.913 N/A HIS 231.A ND1 ASP 228.A OD2.A no hydrogen 2.855 N/A ALA 234.A N HIS 231.A O no hydrogen 2.984 N/A GLY 239.A N PRO 236.A O no hydrogen 2.971 N/A THR 243.A OG1 ASP 247.A OD2 no hydrogen 2.742 N/A GLN 246.A NE2 ASN 250.A OD1 no hydrogen 2.936 N/A ASP 247.A N THR 243.A O no hydrogen 2.844 N/A HIS 248.A N TRP 244.A O no hydrogen 2.879 N/A LEU 249.A N ARG 245.A O no hydrogen 3.038 N/A ASN 250.A N GLN 246.A O no hydrogen 2.868 N/A ILE 251.A N ASP 247.A O no hydrogen 2.940 N/A ILE 251.A N HIS 248.A O no hydrogen 3.280 N/A SER 252.A N HIS 248.A O no hydrogen 2.873 N/A SER 252.A OG THR 255.A OG1 no hydrogen 2.653 N/A THR 255.A N SER 252.A O no hydrogen 3.222 N/A THR 255.A OG1 SER 252.A O no hydrogen 3.434 N/A THR 255.A OG1 SER 252.A OG no hydrogen 2.653 N/A SER 258.A OG PRO 256.A O no hydrogen 2.806 N/A LEU 259.A N ILE 301.A O no hydrogen 2.795 N/A VAL 260.A N HIS 220.A O no hydrogen 2.985 N/A PHE 262.A N ASN 303.A O no hydrogen 2.817 N/A GLN 263.A N GLY 222.A O no hydrogen 3.029 N/A GLN 263.A NE2 GLY 226.A O.A no hydrogen 2.832 N/A GLN 263.A NE2 GLY 226.A O.B no hydrogen 2.924 N/A GLN 263.A NE2 GLY 265.A O no hydrogen 3.027 N/A GLY 264.A N TYR 305.A O no hydrogen 2.762 N/A ALA 266.A N TYR 327.A O no hydrogen 2.917 N/A GLY 271.A N GLY 919.A O no hydrogen 2.853 N/A GLY 272.A N PRO 269.A O no hydrogen 2.866 N/A TRP 273.A N ASP 268.A OD1 no hydrogen 2.913 N/A GLY 274.A N ASP 268.A OD2 no hydrogen 2.764 N/A GLN 277.A NE2 CYS 229.A O.A no hydrogen 2.649 N/A GLN 277.A NE2 CYS 229.A O.B no hydrogen 3.242 N/A CYS 278.A N GLY 274.A O no hydrogen 3.192 N/A CYS 278.A SG PHE 267.A O.B no hydrogen 3.717 N/A CYS 278.A SG GLY 274.A O no hydrogen 3.689 N/A SER 279.A N PHE 275.A O no hydrogen 2.879 N/A SER 279.A OG GLU 276.A O no hydrogen 2.686 N/A ALA 280.A N GLU 276.A O no hydrogen 3.121 N/A ALA 280.A N GLN 277.A O no hydrogen 3.107 N/A LEU 281.A N GLN 277.A O no hydrogen 3.072 N/A VAL 282.A N CYS 278.A O no hydrogen 2.916 N/A ASN 283.A ND2 GLU 285.A OE1 no hydrogen 3.428 N/A PHE 286.A N ASN 283.A OD1 no hydrogen 3.011 N/A GLU 287.A N ASN 283.A O no hydrogen 3.051 N/A ARG 288.A N HIS 284.A O no hydrogen 2.980 N/A ARG 288.A NE ARG 431.A O no hydrogen 2.832 N/A ARG 288.A NH2 GLY 430.A O no hydrogen 3.223 N/A ARG 288.A NH2 ARG 431.A O no hydrogen 3.057 N/A VAL 289.A N GLU 285.A O no hydrogen 3.018 N/A PHE 290.A N PHE 286.A O no hydrogen 2.769 N/A TYR 291.A N GLU 287.A O no hydrogen 2.848 N/A TYR 291.A OH GLN 263.A O no hydrogen 2.714 N/A LYS 292.A NZ SER 433.A O no hydrogen 2.918 N/A LYS 292.A NZ GLU 453.A OE2 no hydrogen 2.715 N/A ASN 293.A N VAL 289.A O no hydrogen 3.068 N/A ASN 293.A ND2 PRO 241.A O no hydrogen 2.882 N/A ASN 294.A N PHE 290.A O no hydrogen 3.269 N/A ASN 294.A N TYR 291.A O no hydrogen 3.024 N/A MET 295.A N TYR 291.A O no hydrogen 3.090 N/A ALA 296.A N LYS 292.A O no hydrogen 2.779 N/A ALA 297.A N ASN 294.A O no hydrogen 3.122 N/A GLY 298.A N MET 295.A O no hydrogen 2.916 N/A VAL 299.A N ASN 294.A O no hydrogen 3.103 N/A THR 300.A N PHE 257.A O no hydrogen 2.963 N/A THR 300.A OG1 HIS 14.A O no hydrogen 2.873 N/A ILE 301.A N PHE 257.A O no hydrogen 3.261 N/A PHE 302.A N ILE 25.A O no hydrogen 2.876 N/A ASN 303.A N LEU 259.A O no hydrogen 2.948 N/A ASN 303.A ND2 GLU 29.A OE1 no hydrogen 2.870 N/A ASN 303.A ND2 VAL 260.A O no hydrogen 2.887 N/A ILE 304.A N SER 27.A O no hydrogen 2.884 N/A TYR 305.A N PHE 262.A O no hydrogen 2.953 N/A TYR 305.A OH TYR 325.A OH no hydrogen 2.838 N/A THR 307.A N GLU 29.A O no hydrogen 3.061 N/A THR 307.A OG1 ILE 304.A O no hydrogen 2.995 N/A PHE 308.A N GLU 29.A O no hydrogen 3.198 N/A THR 311.A N ARG 34.A O no hydrogen 3.088 N/A THR 311.A OG1 GLU 333.A OE2 no hydrogen 2.565 N/A ASN 312.A N THR 323.A O no hydrogen 2.753 N/A ASN 312.A ND2 TYR 322.A O no hydrogen 2.911 N/A TRP 313.A NE1 PHE 33.A O no hydrogen 2.838 N/A GLY 314.A N GLN 910.A O no hydrogen 2.754 N/A ASN 315.A ND2 LEU 823.A O no hydrogen 2.813 N/A LEU 316.A N TRP 313.A O no hydrogen 3.030 N/A HIS 318.A N GLU 105.A O no hydrogen 3.145 N/A GLY 321.A N HIS 318.A O no hydrogen 3.262 N/A TYR 322.A OH ASP 268.A OD2 no hydrogen 2.609 N/A SER 324.A N GLN 921.A OE1 no hydrogen 3.094 N/A SER 324.A OG GLU 333.A OE1 no hydrogen 2.608 N/A TYR 325.A N GLY 310.A O no hydrogen 3.043 N/A TYR 325.A OH GLU 105.A OE1 no hydrogen 2.593 N/A TYR 325.A OH TYR 305.A OH no hydrogen 2.838 N/A ASP 326.A N SER 324.A OG no hydrogen 3.075 N/A GLY 328.A N ASP 326.A OD2 no hydrogen 2.842 N/A ALA 329.A N ASP 326.A O no hydrogen 3.140 N/A SER 330.A OG THR 307.A O no hydrogen 3.563 N/A ILE 331.A N THR 307.A O no hydrogen 3.044 N/A ARG 332.A N ARG 336.A O no hydrogen 2.954 N/A ARG 332.A NE ASP 338.A OD1 no hydrogen 2.729 N/A ARG 332.A NE ASP 338.A OD2 no hydrogen 3.423 N/A ARG 332.A NH1 GLU 276.A OE2 no hydrogen 2.747 N/A ARG 332.A NH2 ASP 338.A OD2 no hydrogen 2.974 N/A GLU 333.A N ASP 326.A OD1 no hydrogen 2.834 N/A ARG 335.A N ARG 332.A O no hydrogen 2.757 N/A ARG 335.A NE ASP 43.A OD2 no hydrogen 2.931 N/A ARG 336.A N ASP 334.A OD1 no hydrogen 3.125 N/A ARG 336.A NE ASP 334.A OD1 no hydrogen 3.235 N/A ARG 336.A NE ASP 334.A OD2 no hydrogen 2.829 N/A ARG 336.A NH2 ASP 334.A OD2 no hydrogen 3.110 N/A ILE 337.A N TYR 571.A OH no hydrogen 2.933 N/A ARG 339.A NH1 ASP 326.A OD1 no hydrogen 3.489 N/A ARG 339.A NH1 ASP 326.A OD2 no hydrogen 2.936 N/A ARG 339.A NH1 ALA 329.A O no hydrogen 2.803 N/A ARG 339.A NH2 GLU 276.A OE2 no hydrogen 3.042 N/A ARG 339.A NH2 ASP 326.A OD2 no hydrogen 3.071 N/A LYS 341.A NZ GLY 264.A O no hydrogen 2.798 N/A LYS 341.A NZ VAL 282.A O no hydrogen 2.727 N/A LYS 341.A NZ GLY 328.A O no hydrogen 2.754 N/A TYR 342.A N ARG 339.A O no hydrogen 2.920 N/A TYR 342.A OH LYS 47.A O no hydrogen 2.725 N/A GLU 344.A N GLU 340.A O no hydrogen 2.993 N/A LEU 345.A N LYS 341.A O no hydrogen 2.991 N/A LYS 346.A N TYR 342.A O no hydrogen 2.984 N/A LYS 346.A NZ TYR 539.A O no hydrogen 2.731 N/A LYS 346.A NZ TYR 541.A O no hydrogen 2.783 N/A LEU 347.A N SER 343.A O no hydrogen 3.220 N/A GLN 348.A N GLU 344.A O no hydrogen 3.359 N/A GLN 348.A NE2 GLU 287.A O no hydrogen 3.284 N/A GLN 348.A NE2 GLU 344.A OE2 no hydrogen 2.948 N/A GLY 349.A N LEU 345.A O no hydrogen 2.914 N/A GLN 350.A N LYS 346.A O no hydrogen 2.948 N/A GLN 350.A NE2 ALA 50.A O no hydrogen 3.186 N/A PHE 351.A N LEU 347.A O no hydrogen 3.119 N/A LEU 352.A N GLN 348.A O no hydrogen 3.067 N/A LYS 353.A N GLY 349.A O no hydrogen 3.194 N/A VAL 354.A N PHE 351.A O no hydrogen 3.208 N/A SER 355.A N LEU 352.A O no hydrogen 3.080 N/A SER 355.A OG PHE 351.A O no hydrogen 2.715 N/A SER 355.A OG TYR 440.A OH no hydrogen 2.693 N/A TYR 358.A N SER 355.A O no hydrogen 2.927 N/A TYR 358.A OH VAL 299.A O no hydrogen 2.697 N/A ILE 359.A N PRO 356.A O no hydrogen 3.026 N/A THR 360.A N GLY 357.A O no hydrogen 3.334 N/A ALA 361.A N GLY 357.A O no hydrogen 3.194 N/A THR 362.A N LEU 383.A O no hydrogen 2.829 N/A GLU 364.A N PRO 381.A O no hydrogen 2.989 N/A THR 367.A N ILE 379.A O no hydrogen 2.879 N/A THR 367.A OG1 ILE 379.A O no hydrogen 2.776 N/A GLN 368.A NE2 GLN 375.A O no hydrogen 2.872 N/A SER 372.A OG.A THR 407.A O no hydrogen 2.565 N/A SER 372.A OG.B SER 374.A O no hydrogen 2.731 N/A SER 374.A N SER 372.A OG.A no hydrogen 3.195 N/A ASN 376.A N SER 374.A OG.B no hydrogen 3.043 N/A VAL 378.A N ARG 394.A O no hydrogen 2.856 N/A ILE 379.A N THR 367.A O no hydrogen 2.937 N/A THR 380.A N VAL 392.A O no hydrogen 2.884 N/A LEU 382.A N PHE 390.A O no hydrogen 2.786 N/A LEU 383.A N THR 362.A O no hydrogen 2.953 N/A ALA 384.A N ASP 389.A OD1 no hydrogen 2.813 N/A ASP 389.A N THR 438.A O no hydrogen 2.971 N/A PHE 390.A N LEU 382.A O no hydrogen 2.930 N/A PHE 391.A N HIS 436.A O no hydrogen 2.824 N/A VAL 392.A N THR 380.A O no hydrogen 2.881 N/A VAL 393.A N LYS 434.A O no hydrogen 2.811 N/A ARG 394.A N VAL 378.A O no hydrogen 2.945 N/A ARG 394.A NH1 HIS 395.A O no hydrogen 2.818 N/A ARG 394.A NH1 ALA 396.A O no hydrogen 3.033 N/A HIS 395.A NE2 THR 429.A O no hydrogen 2.818 N/A ALA 396.A N ASN 376.A O no hydrogen 2.954 N/A TYR 398.A OH PRO 236.A O no hydrogen 2.659 N/A SER 399.A N ASN 397.A OD1 no hydrogen 3.091 N/A SER 399.A OG TRP 235.A O no hydrogen 3.501 N/A SER 400.A N ASN 397.A O no hydrogen 2.911 N/A ASP 402.A N SER 400.A OG no hydrogen 3.024 N/A ALA 404.A N LEU 428.A O no hydrogen 2.840 N/A TYR 406.A N LEU 426.A O no hydrogen 2.902 N/A TYR 406.A OH HIS 436.A NE2 no hydrogen 2.714 N/A VAL 408.A N ILE 419.A O no hydrogen 3.051 N/A LYS 409.A N TYR 371.A O no hydrogen 2.784 N/A LEU 410.A N LEU 417.A O no hydrogen 2.986 N/A THR 412.A N GLY 415.A O no hydrogen 3.097 N/A THR 412.A OG1 GLY 415.A O no hydrogen 2.736 N/A SER 413.A N ASP 439.A OD2 no hydrogen 2.804 N/A SER 413.A OG ASP 439.A OD1 no hydrogen 2.647 N/A SER 413.A OG ASP 439.A OD2 no hydrogen 3.467 N/A ALA 414.A N THR 412.A OG1 no hydrogen 2.906 N/A GLY 415.A N THR 412.A O no hydrogen 2.880 N/A LEU 417.A N LEU 410.A O no hydrogen 2.948 N/A ILE 419.A N VAL 408.A O no hydrogen 2.746 N/A GLN 421.A N GLU 477.A OE2 no hydrogen 2.677 N/A GLN 421.A NE2 THR 418.A O no hydrogen 2.850 N/A LEU 422.A N GLU 477.A OE1 no hydrogen 2.860 N/A GLY 423.A N PRO 420.A O no hydrogen 3.485 N/A LEU 426.A N TYR 406.A O no hydrogen 2.779 N/A LEU 428.A N ALA 404.A O no hydrogen 2.825 N/A ARG 431.A N SER 400.A O no hydrogen 2.929 N/A ARG 431.A NE SER 399.A O no hydrogen 2.818 N/A ARG 431.A NH1 SER 233.A O no hydrogen 2.836 N/A ARG 431.A NH2 SER 233.A O no hydrogen 3.066 N/A ARG 431.A NH2 SER 399.A O no hydrogen 3.239 N/A ARG 431.A NH2 SER 399.A OG no hydrogen 3.075 N/A SER 433.A N ASP 432.A OD1 no hydrogen 2.790 N/A SER 433.A OG VAL 393.A O no hydrogen 2.779 N/A LYS 434.A N VAL 393.A O no hydrogen 3.057 N/A LYS 434.A NZ ASP 432.A OD2 no hydrogen 3.024 N/A LYS 434.A NZ GLU 474.A OE1 no hydrogen 2.835 N/A LYS 434.A NZ GLU 474.A OE2 no hydrogen 2.995 N/A ILE 435.A N GLU 453.A OE2 no hydrogen 2.939 N/A HIS 436.A N PHE 391.A O no hydrogen 2.907 N/A HIS 436.A ND1 THR 451.A O no hydrogen 2.824 N/A HIS 436.A NE2 TYR 406.A OH no hydrogen 2.714 N/A VAL 437.A N SER 450.A O no hydrogen 3.063 N/A THR 438.A N ASP 389.A O no hydrogen 3.030 N/A THR 438.A OG1 PRO 411.A O no hydrogen 2.932 N/A ASP 439.A N LEU 448.A O no hydrogen 2.942 N/A TYR 440.A N LEU 447.A O no hydrogen 2.864 N/A TYR 440.A OH SER 355.A OG no hydrogen 2.693 N/A VAL 442.A N PHE 445.A O no hydrogen 2.841 N/A PHE 445.A N VAL 442.A O no hydrogen 2.962 N/A LEU 447.A N TYR 440.A O no hydrogen 2.851 N/A LEU 448.A N ALA 479.A O no hydrogen 2.797 N/A TYR 449.A OH GLU 477.A OE2 no hydrogen 2.545 N/A SER 450.A N VAL 437.A O no hydrogen 2.948 N/A SER 450.A OG ALA 452.A O no hydrogen 2.820 N/A THR 451.A N GLU 477.A O no hydrogen 2.954 N/A THR 451.A OG1 HIS 476.A ND1 no hydrogen 2.786 N/A THR 451.A OG1 GLU 477.A O no hydrogen 3.298 N/A GLU 453.A N TYR 469.A O no hydrogen 3.021 N/A PHE 455.A N VAL 467.A O no hydrogen 2.874 N/A TRP 457.A NE1 VAL 354.A O no hydrogen 3.013 N/A ASN 458.A N VAL 465.A O no hydrogen 2.919 N/A ASN 458.A ND2 PRO 562.A O no hydrogen 2.989 N/A ASN 458.A ND2 SER 564.A OG no hydrogen 2.899 N/A GLU 459.A N ASN 458.A OD1 no hydrogen 2.750 N/A PHE 460.A N LYS 463.A O no hydrogen 2.826 N/A GLU 462.A N GLU 462.A OE1 no hydrogen 2.490 N/A LYS 463.A NZ TYR 531.A OH no hydrogen 2.940 N/A LYS 463.A NZ LEU 621.A O no hydrogen 3.250 N/A LYS 463.A NZ ASP 623.A OD1 no hydrogen 2.774 N/A THR 464.A N SER 527.A O no hydrogen 2.820 N/A VAL 465.A N ASN 458.A O no hydrogen 2.838 N/A LEU 466.A N VAL 529.A O no hydrogen 2.999 N/A VAL 467.A N THR 456.A O no hydrogen 2.941 N/A LEU 468.A N TYR 531.A O no hydrogen 2.911 N/A TYR 469.A N GLU 453.A O no hydrogen 2.832 N/A GLY 470.A N VAL 533.A O no hydrogen 3.142 N/A GLY 471.A N GLU 474.A OE1 no hydrogen 2.861 N/A GLN 473.A N ALA 516.A O no hydrogen 2.784 N/A GLU 474.A N GLY 471.A O no hydrogen 3.070 N/A HIS 476.A N TRP 514.A O no hydrogen 2.814 N/A HIS 476.A ND1 THR 451.A OG1 no hydrogen 2.786 N/A HIS 476.A NE2 GLU 474.A OE1 no hydrogen 2.789 N/A GLU 477.A N THR 451.A OG1 no hydrogen 2.934 N/A PHE 478.A N LEU 512.A O no hydrogen 2.966 N/A ALA 479.A N TYR 449.A O no hydrogen 2.954 N/A VAL 480.A N VAL 510.A O no hydrogen 2.862 N/A LYS 481.A N THR 446.A O no hydrogen 2.988 N/A LYS 481.A NZ SER 413.A OG no hydrogen 3.358 N/A LYS 481.A NZ ASP 439.A OD1 no hydrogen 3.098 N/A ASN 482.A ND2 GLY 485.A O no hydrogen 3.698 N/A PHE 484.A N ASN 482.A OD1 no hydrogen 2.880 N/A SER 487.A N PHE 484.A O no hydrogen 3.133 N/A THR 489.A N SER 487.A OG no hydrogen 3.284 N/A THR 489.A OG1 SER 487.A OG no hydrogen 3.137 N/A ALA 490.A N SER 487.A OG no hydrogen 2.996 N/A LYS 493.A N GLN 524.A O no hydrogen 2.854 N/A LYS 494.A NZ VAL 500.A O no hydrogen 3.026 N/A ILE 495.A N VAL 522.A O no hydrogen 2.825 N/A GLU 496.A N VAL 522.A O no hydrogen 3.131 N/A ASN 499.A N GLN 521.A OE1 no hydrogen 2.846 N/A VAL 500.A N GLN 521.A OE1 no hydrogen 3.144 N/A THR 501.A N GLN 513.A O no hydrogen 2.885 N/A HIS 503.A N VAL 511.A O no hydrogen 2.834 N/A THR 505.A N THR 509.A O no hydrogen 2.883 N/A THR 505.A OG1 ASN 507.A OD1 no hydrogen 2.454 N/A THR 505.A OG1 THR 509.A O no hydrogen 3.428 N/A LEU 508.A N THR 505.A O no hydrogen 2.818 N/A THR 509.A N THR 505.A OG1 no hydrogen 3.079 N/A THR 509.A N ASN 507.A OD1 no hydrogen 2.773 N/A THR 509.A OG1 ASN 507.A OD1 no hydrogen 2.837 N/A VAL 510.A N VAL 480.A O no hydrogen 2.978 N/A VAL 511.A N HIS 503.A O no hydrogen 2.823 N/A LEU 512.A N PHE 478.A O no hydrogen 2.840 N/A GLN 513.A N THR 501.A O no hydrogen 3.008 N/A GLN 513.A NE2 GLY 423.A O no hydrogen 2.860 N/A GLN 513.A NE2 GLU 477.A OE1 no hydrogen 2.843 N/A TRP 514.A N HIS 476.A O no hydrogen 2.963 N/A THR 515.A N ASN 499.A OD1 no hydrogen 2.718 N/A ALA 516.A N GLU 474.A O no hydrogen 2.907 N/A SER 517.A OG ALA 519.A O no hydrogen 3.515 N/A ALA 519.A N SER 517.A OG no hydrogen 3.043 N/A ARG 520.A NE GLU 496.A OE1 no hydrogen 2.870 N/A ARG 520.A NH1 TYR 541.A OH no hydrogen 2.922 N/A ARG 520.A NH1 GLU 596.A OE1 no hydrogen 2.732 N/A ARG 520.A NH1 GLU 596.A OE2 no hydrogen 3.528 N/A ARG 520.A NH2 GLU 496.A OE1 no hydrogen 3.472 N/A ARG 520.A NH2 GLU 496.A OE2 no hydrogen 3.031 N/A ARG 520.A NH2 GLU 596.A OE1 no hydrogen 3.461 N/A ARG 520.A NH2 GLU 596.A OE2 no hydrogen 2.787 N/A GLN 521.A N MET 532.A O no hydrogen 2.980 N/A GLN 521.A NE2 ALA 519.A O no hydrogen 2.900 N/A VAL 522.A N GLU 496.A O no hydrogen 2.874 N/A VAL 523.A N ILE 530.A O no hydrogen 3.074 N/A GLN 524.A N LYS 493.A O no hydrogen 2.848 N/A GLN 524.A NE2 GLY 526.A O no hydrogen 2.819 N/A LEU 525.A N LEU 528.A O no hydrogen 2.772 N/A LEU 528.A N LEU 525.A O no hydrogen 2.979 N/A VAL 529.A N THR 464.A O no hydrogen 2.803 N/A ILE 530.A N VAL 523.A O no hydrogen 2.857 N/A TYR 531.A N LEU 466.A O no hydrogen 2.864 N/A TYR 531.A OH ASP 623.A OD2 no hydrogen 2.537 N/A MET 532.A N GLN 521.A O no hydrogen 2.780 N/A VAL 533.A N LEU 468.A O no hydrogen 2.932 N/A ARG 535.A N GLY 470.A O no hydrogen 2.786 N/A SER 537.A N ASP 534.A OD1 no hydrogen 2.982 N/A SER 537.A OG ASP 534.A OD1 no hydrogen 2.652 N/A ALA 538.A N ASP 534.A O no hydrogen 2.882 N/A TYR 539.A N ARG 535.A O no hydrogen 2.977 N/A TYR 539.A OH GLU 340.A OE2 no hydrogen 2.656 N/A ASN 540.A N SER 537.A O no hydrogen 2.915 N/A TYR 541.A N ALA 538.A O no hydrogen 2.992 N/A TRP 542.A N ILE 567.A O no hydrogen 2.779 N/A TRP 542.A NE1 GLY 570.A O no hydrogen 3.032 N/A LEU 546.A N ASP 563.A O no hydrogen 2.970 N/A GLY 548.A N SER 553.A O no hydrogen 2.761 N/A LYS 551.A NZ GLY 152.A O no hydrogen 2.987 N/A GLN 552.A NE2 GLY 152.A O no hydrogen 2.894 N/A SER 553.A N GLY 550.A O no hydrogen 2.932 N/A SER 553.A OG GLY 550.A O no hydrogen 3.279 N/A TYR 555.A N GLN 552.A O no hydrogen 2.964 N/A TYR 555.A OH ILE 92.A O no hydrogen 2.702 N/A GLY 556.A N SER 553.A O no hydrogen 3.001 N/A SER 558.A OG MET 560.A O no hydrogen 2.767 N/A LEU 559.A N GLU 21.A OE1 no hydrogen 2.863 N/A MET 560.A N GLU 21.A OE2 no hydrogen 2.911 N/A ASN 561.A N LYS 353.A O no hydrogen 2.791 N/A ASN 561.A ND2 VAL 354.A O no hydrogen 3.209 N/A ASP 563.A N SER 557.A OG no hydrogen 2.936 N/A VAL 565.A N PRO 544.A O no hydrogen 3.103 N/A ILE 566.A N ILE 598.A O no hydrogen 3.036 N/A ILE 567.A N TRP 542.A O no hydrogen 2.890 N/A ASN 568.A N GLU 596.A O no hydrogen 2.806 N/A ASN 568.A ND2 GLU 596.A OE1 no hydrogen 2.941 N/A GLY 569.A N ASN 540.A O no hydrogen 2.812 N/A TYR 571.A N ASP 588.A O no hydrogen 3.064 N/A LEU 572.A N ASP 588.A O no hydrogen 3.214 N/A ARG 574.A N GLN 586.A O no hydrogen 2.820 N/A ARG 574.A NE ASP 588.A OD1 no hydrogen 2.774 N/A ARG 574.A NH1 ASP 43.A OD1 no hydrogen 2.804 N/A ARG 574.A NH1 HIS 46.A ND1 no hydrogen 2.953 N/A ARG 574.A NH2 ASP 43.A OD1 no hydrogen 2.782 N/A ARG 574.A NH2 ASP 588.A OD1 no hydrogen 3.439 N/A ARG 574.A NH2 ASP 588.A OD2 no hydrogen 2.829 N/A SER 575.A N GLN 586.A O no hydrogen 3.426 N/A ALA 577.A N SER 584.A O no hydrogen 2.885 N/A LYS 579.A N ALA 582.A O no hydrogen 2.933 N/A ALA 582.A N LYS 579.A O no hydrogen 2.964 N/A LEU 583.A N LYS 606.A O no hydrogen 2.843 N/A SER 584.A N ALA 577.A O no hydrogen 2.777 N/A VAL 585.A N ALA 608.A O no hydrogen 2.880 N/A GLN 586.A N SER 575.A O no hydrogen 2.931 N/A GLN 586.A NE2 GLY 967.A O no hydrogen 2.908 N/A ALA 587.A N ASN 610.A OD1 no hydrogen 2.846 N/A ASP 588.A N LEU 572.A O no hydrogen 2.811 N/A PHE 589.A N LEU 965.A O no hydrogen 2.781 N/A THR 593.A OG1 PRO 594.A O no hydrogen 2.767 N/A LEU 595.A N ALA 626.A O no hydrogen 2.907 N/A GLU 596.A N ASN 568.A O no hydrogen 2.896 N/A ILE 597.A N TRP 624.A O no hydrogen 2.751 N/A ILE 598.A N ILE 566.A O no hydrogen 2.742 N/A ILE 604.A N PRO 601.A O no hydrogen 3.122 N/A SER 605.A N ASN 581.A O no hydrogen 2.818 N/A LYS 606.A N ASN 581.A O no hydrogen 2.999 N/A ALA 608.A N LEU 583.A O no hydrogen 2.887 N/A VAL 609.A N LYS 612.A O no hydrogen 2.983 N/A ASN 610.A N VAL 585.A O no hydrogen 2.838 N/A ASN 610.A ND2 ALA 587.A O no hydrogen 2.845 N/A LYS 612.A N VAL 609.A O no hydrogen 2.977 N/A LEU 614.A N LEU 607.A O no hydrogen 3.021 N/A TYR 616.A OH SER 605.A O no hydrogen 2.659 N/A SER 617.A N ILE 625.A O no hydrogen 2.844 N/A SER 619.A N ASP 623.A O no hydrogen 2.932 N/A LEU 621.A N SER 619.A OG no hydrogen 3.270 N/A GLY 622.A N SER 619.A O no hydrogen 2.860 N/A ASP 623.A N SER 619.A OG no hydrogen 3.131 N/A TRP 624.A N ILE 597.A O no hydrogen 2.952 N/A ILE 625.A N SER 617.A O no hydrogen 2.786 N/A ALA 626.A N LEU 595.A O no hydrogen 2.780 N/A LYS 642.A N GLU 639.A O no hydrogen 3.073 N/A LEU 643.A N LEU 640.A O no hydrogen 3.207 N/A LYS 644.A NZ TYR 646.A OH no hydrogen 2.835 N/A TRP 645.A NE1 LEU 640.A O no hydrogen 2.916 N/A TYR 646.A N ALA 871.A O no hydrogen 2.873 N/A LYS 647.A N THR 846.A O no hydrogen 2.883 N/A VAL 648.A N PHE 869.A O no hydrogen 2.816 N/A SER 650.A N ILE 867.A O no hydrogen 2.743 N/A SER 650.A OG SER 650.A O no hydrogen 2.666 N/A LEU 651.A N ASP 649.A OD1 no hydrogen 2.808 N/A GLU 653.A N GLU 653.A OE1 no hydrogen 2.734 N/A ILE 654.A N LEU 651.A O no hydrogen 3.382 N/A ARG 655.A N PRO 652.A O no hydrogen 3.062 N/A TYR 658.A N ARG 655.A O no hydrogen 3.046 N/A TYR 658.A OH TYR 986.A OXT no hydrogen 2.816 N/A SER 661.A N ASP 659.A OD1 no hydrogen 2.888 N/A SER 661.A OG ASP 659.A OD1 no hydrogen 2.494 N/A SER 661.A OG ASP 659.A OD2 no hydrogen 3.533 N/A TRP 663.A N ASP 660.A O no hydrogen 2.954 N/A TRP 663.A NE1 TYR 658.A OH no hydrogen 3.024 N/A ALA 666.A N TRP 804.A O no hydrogen 2.913 N/A LEU 668.A N TYR 689.A OH no hydrogen 3.167 N/A SER 671.A OG ASP 688.A OD1 no hydrogen 3.436 N/A SER 671.A OG ASP 688.A OD2 no hydrogen 2.672 N/A ASN 672.A ND2 ARG 117.A O no hydrogen 3.181 N/A ASN 673.A N SER 671.A OG no hydrogen 2.954 N/A ASN 673.A ND2 LYS 782.A O no hydrogen 2.849 N/A THR 674.A OG1 LYS 119.A O no hydrogen 2.798 N/A TYR 675.A N ASN 673.A OD1 no hydrogen 2.909 N/A ALA 676.A N ASN 673.A OD1 no hydrogen 3.075 N/A THR 680.A OG1 VAL 682.A O no hydrogen 2.595 N/A SER 683.A N LEU 668.A O no hydrogen 2.805 N/A SER 683.A OG ASP 688.A OD2 no hydrogen 2.678 N/A TYR 685.A N SER 683.A OG no hydrogen 3.206 N/A TYR 685.A OH ALA 676.A O no hydrogen 2.635 N/A GLY 686.A N ARG 785.A O no hydrogen 2.756 N/A SER 687.A OG GLY 113.A O no hydrogen 3.558 N/A SER 687.A OG HIS 692.A ND1 no hydrogen 2.739 N/A ASP 688.A N TYR 685.A O no hydrogen 3.023 N/A TYR 689.A N GLY 686.A O no hydrogen 2.992 N/A TYR 689.A OH SER 683.A O no hydrogen 2.694 N/A GLY 690.A N SER 687.A O no hydrogen 3.185 N/A PHE 691.A N GLY 686.A O no hydrogen 2.969 N/A HIS 692.A ND1 SER 687.A OG no hydrogen 2.739 N/A HIS 692.A NE2 GLU 813.A OE2 no hydrogen 2.672 N/A THR 695.A OG1 ASP 766.A OD1 no hydrogen 2.753 N/A LEU 696.A N VAL 765.A O no hydrogen 2.867 N/A LEU 697.A N THR 807.A O no hydrogen 2.877 N/A PHE 698.A N VAL 763.A O no hydrogen 2.866 N/A ARG 699.A N LYS 805.A O no hydrogen 2.843 N/A ARG 699.A NE ASP 660.A OD2 no hydrogen 2.738 N/A ARG 699.A NH1 GLU 653.A O no hydrogen 2.870 N/A GLY 700.A N LEU 761.A O no hydrogen 2.844 N/A ARG 701.A N SER 803.A O no hydrogen 2.730 N/A ARG 701.A NH1 ASP 660.A OD1 no hydrogen 3.469 N/A ARG 701.A NH1 ASP 660.A OD2 no hydrogen 2.770 N/A ARG 701.A NH2 ASP 660.A OD1 no hydrogen 2.819 N/A ARG 701.A NH2 ASP 660.A OD2 no hydrogen 3.341 N/A PHE 702.A N TYR 759.A O no hydrogen 3.042 N/A ALA 704.A N ARG 757.A O no hydrogen 2.907 N/A ARG 705.A N GLN 709.A OE1 no hydrogen 2.720 N/A THR 706.A N GLN 709.A OE1 no hydrogen 3.202 N/A THR 706.A OG1 ARG 708.A O no hydrogen 2.716 N/A THR 706.A OG1 SER 795.A OG no hydrogen 3.340 N/A ARG 708.A NE ASP 751.A OD1 no hydrogen 2.980 N/A ARG 708.A NH2 ASP 751.A OD2 no hydrogen 2.837 N/A GLN 709.A N LEU 750.A O no hydrogen 2.854 N/A GLN 710.A N THR 793.A O no hydrogen 2.836 N/A GLN 710.A NE2 THR 749.A OG1 no hydrogen 2.882 N/A LEU 711.A N TYR 748.A O no hydrogen 2.816 N/A PHE 712.A N ALA 791.A O no hydrogen 2.813 N/A LEU 713.A N SER 746.A O no hydrogen 2.794 N/A SER 714.A N ASP 789.A O no hydrogen 2.876 N/A SER 714.A OG ASN 745.A OD1 no hydrogen 2.839 N/A THR 715.A N ALA 744.A O no hydrogen 2.878 N/A THR 715.A OG1 SER 723.A OG.A no hydrogen 3.106 N/A GLN 716.A N GLY 786.A O no hydrogen 2.907 N/A GLN 716.A NE2 PRO 784.A O no hydrogen 2.849 N/A GLY 717.A N SER 742.A O no hydrogen 3.100 N/A GLY 718.A N SER 742.A O no hydrogen 3.153 N/A ALA 720.A N ALA 741.A O no hydrogen 3.033 N/A PHE 721.A N GLY 718.A O no hydrogen 3.025 N/A SER 723.A N PHE 735.A O no hydrogen 3.118 N/A SER 723.A OG.A THR 715.A OG1 no hydrogen 3.106 N/A SER 723.A OG.B VAL 764.A O no hydrogen 2.933 N/A SER 724.A N VAL 764.A O no hydrogen 2.964 N/A SER 724.A OG SER 734.A OG no hydrogen 2.773 N/A VAL 725.A N GLY 733.A O no hydrogen 2.866 N/A TRP 726.A N THR 762.A O no hydrogen 2.927 N/A LEU 727.A N ARG 730.A O no hydrogen 2.855 N/A ASN 728.A N ILE 760.A O no hydrogen 2.817 N/A ARG 730.A N LEU 727.A O no hydrogen 2.825 N/A ARG 730.A NH1 ASP 751.A O no hydrogen 2.901 N/A ARG 730.A NH2 ASP 751.A O no hydrogen 3.054 N/A ILE 732.A N VAL 725.A O no hydrogen 2.846 N/A GLY 733.A N VAL 725.A O no hydrogen 3.301 N/A SER 734.A OG SER 724.A OG no hydrogen 2.773 N/A SER 734.A OG LEU 946.A O no hydrogen 2.642 N/A PHE 735.A N SER 723.A O no hydrogen 2.809 N/A ALA 741.A N PHE 738.A O no hydrogen 3.054 N/A ALA 744.A N THR 715.A O no hydrogen 2.872 N/A SER 746.A N LEU 713.A O no hydrogen 2.858 N/A TYR 748.A N LEU 711.A O no hydrogen 2.797 N/A LEU 750.A N GLN 709.A O no hydrogen 2.761 N/A LEU 753.A N ALA 707.A O no hydrogen 2.847 N/A VAL 754.A N TYR 759.A OH no hydrogen 2.806 N/A GLY 756.A N ALA 704.A O no hydrogen 2.746 N/A ARG 757.A N VAL 754.A O no hydrogen 3.014 N/A TYR 759.A N PHE 702.A O no hydrogen 2.859 N/A ILE 760.A N ASN 728.A OD1 no hydrogen 2.941 N/A LEU 761.A N GLY 700.A O no hydrogen 2.771 N/A THR 762.A N TRP 726.A O no hydrogen 2.846 N/A VAL 763.A N PHE 698.A O no hydrogen 2.853 N/A VAL 764.A N SER 724.A O no hydrogen 2.851 N/A VAL 765.A N LEU 696.A O no hydrogen 2.835 N/A ASP 766.A N ALA 722.A O no hydrogen 2.920 N/A THR 768.A N GLY 717.A O no hydrogen 2.947 N/A THR 768.A OG1 GLY 717.A O no hydrogen 3.475 N/A THR 768.A OG1 SER 719.A O no hydrogen 2.751 N/A GLY 769.A N SER 767.A OG no hydrogen 3.059 N/A LEU 770.A N SER 107.A OG no hydrogen 2.846 N/A ASN 773.A N TYR 101.A OH no hydrogen 2.661 N/A ASN 773.A ND2 ASN 773.A O no hydrogen 2.948 N/A TRP 774.A NE1 GLU 163.A OE1 no hydrogen 2.837 N/A ASP 778.A N THR 775.A O no hydrogen 3.055 N/A SER 780.A OG GLU 772.A O no hydrogen 2.639 N/A MET 781.A N ASN 773.A OD1 no hydrogen 3.015 N/A LYS 782.A N ASP 779.A O no hydrogen 2.833 N/A LYS 782.A NZ VAL 118.A O no hydrogen 2.750 N/A LYS 782.A NZ GLY 120.A O no hydrogen 2.811 N/A LYS 782.A NZ THR 674.A OG1 no hydrogen 3.413 N/A LYS 782.A NZ ASP 779.A OD2 no hydrogen 2.750 N/A ALA 783.A N SER 780.A O no hydrogen 3.103 N/A ARG 785.A NE GLY 769.A O no hydrogen 2.879 N/A ARG 785.A NH1 PRO 784.A O no hydrogen 2.959 N/A ARG 785.A NH2 GLY 769.A O no hydrogen 2.867 N/A ARG 785.A NH2 ASP 771.A OD1 no hydrogen 3.043 N/A GLY 786.A N GLN 716.A O no hydrogen 2.915 N/A ILE 787.A N LEU 684.A O no hydrogen 3.090 N/A LEU 788.A N SER 714.A O no hydrogen 2.770 N/A ASP 789.A N SER 714.A O no hydrogen 3.486 N/A TYR 790.A N ASP 789.A OD1 no hydrogen 2.871 N/A ALA 791.A N PHE 712.A O no hydrogen 2.942 N/A THR 793.A N GLN 710.A O no hydrogen 2.882 N/A THR 793.A OG1 GLN 710.A O no hydrogen 3.417 N/A SER 794.A N ALA 798.A O no hydrogen 2.863 N/A SER 794.A OG SER 796.A OG no hydrogen 2.983 N/A SER 795.A N THR 706.A OG1 no hydrogen 2.904 N/A SER 796.A N SER 794.A OG no hydrogen 3.034 N/A SER 796.A OG SER 794.A OG no hydrogen 2.983 N/A GLY 797.A N SER 794.A O no hydrogen 2.832 N/A ALA 798.A N SER 794.A OG no hydrogen 3.175 N/A VAL 800.A N LEU 792.A O no hydrogen 2.855 N/A SER 803.A N ARG 701.A O no hydrogen 2.972 N/A TRP 804.A NE1 TYR 790.A OH no hydrogen 3.062 N/A LYS 805.A N ARG 699.A O no hydrogen 2.860 N/A LYS 805.A NZ ASP 660.A O no hydrogen 3.096 N/A LYS 805.A NZ ASP 660.A OD1 no hydrogen 2.916 N/A LEU 806.A N PRO 664.A O no hydrogen 3.015 N/A THR 807.A N LEU 697.A O no hydrogen 2.878 N/A THR 807.A OG1 GLY 808.A O no hydrogen 2.739 N/A THR 807.A OG1 TYR 986.A OH no hydrogen 2.663 N/A ASN 809.A ND2 LEU 810.A O no hydrogen 3.514 N/A ASN 809.A ND2 GLY 812.A O no hydrogen 2.929 N/A GLY 812.A N ASN 809.A O no hydrogen 2.892 N/A ASP 814.A N GLY 811.A O no hydrogen 2.885 N/A ARG 816.A NH1 HIS 983.A O no hydrogen 2.978 N/A ARG 816.A NH2 HIS 983.A O no hydrogen 2.787 N/A ARG 820.A N ASP 817.A OD1 no hydrogen 2.888 N/A ARG 820.A NE ASN 907.A O no hydrogen 3.260 N/A ARG 820.A NH1 ASP 817.A OD2 no hydrogen 2.842 N/A ARG 820.A NH1 PRO 977.A O no hydrogen 3.312 N/A ARG 820.A NH2 ASN 907.A O no hydrogen 2.950 N/A ARG 820.A NH2 PRO 977.A O no hydrogen 2.873 N/A GLY 821.A N ASP 817.A O no hydrogen 2.939 N/A ASN 824.A ND2 GLY 908.A O no hydrogen 2.891 N/A GLY 826.A N GLU 831.A OE2 no hydrogen 2.914 N/A GLY 827.A N THR 695.A O no hydrogen 2.817 N/A LEU 828.A N GLU 831.A OE1 no hydrogen 3.105 N/A PHE 830.A N SER 650.A OG no hydrogen 3.041 N/A ARG 832.A N LEU 828.A O no hydrogen 2.957 N/A ARG 832.A NE TYR 986.A O no hydrogen 2.880 N/A ARG 832.A NH1 GLU 653.A OE2 no hydrogen 2.961 N/A ARG 832.A NH1 GLY 827.A O no hydrogen 2.816 N/A ARG 832.A NH2 GLU 653.A OE2 no hydrogen 2.883 N/A ARG 832.A NH2 TYR 986.A O no hydrogen 3.502 N/A ARG 832.A NH2 TYR 986.A OXT no hydrogen 2.846 N/A GLN 833.A N PHE 829.A O no hydrogen 3.076 N/A GLN 833.A NE2 TYR 986.A O no hydrogen 3.453 N/A GLY 834.A N GLU 831.A O no hydrogen 2.976 N/A PHE 835.A N PHE 830.A O no hydrogen 2.882 N/A LEU 837.A N GLY 834.A O no hydrogen 3.039 N/A ASP 844.A N PRO 841.A O no hydrogen 2.904 N/A PHE 845.A N LEU 842.A O no hydrogen 2.910 N/A THR 846.A N LYS 647.A O no hydrogen 2.769 N/A GLY 848.A N SER 856.A OG no hydrogen 2.950 N/A SER 851.A N ASP 860.A OD2 no hydrogen 2.719 N/A SER 852.A N PRO 849.A O no hydrogen 3.216 N/A SER 852.A OG PRO 849.A O no hydrogen 2.499 N/A SER 852.A OG SER 854.A OG no hydrogen 3.225 N/A SER 854.A N SER 852.A OG no hydrogen 3.185 N/A SER 854.A OG SER 852.A OG no hydrogen 3.225 N/A SER 855.A N SER 852.A O no hydrogen 2.947 N/A SER 855.A OG ASP 860.A OD2 no hydrogen 2.546 N/A SER 856.A N GLY 848.A O no hydrogen 3.425 N/A SER 856.A OG TRP 645.A O no hydrogen 2.694 N/A SER 856.A OG GLY 848.A O no hydrogen 3.342 N/A SER 857.A N SER 855.A OG no hydrogen 2.983 N/A LEU 859.A N SER 857.A OG no hydrogen 3.010 N/A ASP 860.A N SER 857.A O no hydrogen 2.977 N/A GLY 861.A N SER 857.A O no hydrogen 3.107 N/A ILE 862.A N ALA 951.A O no hydrogen 2.924 N/A GLY 866.A N ALA 945.A O no hydrogen 3.189 N/A ALA 868.A N LEU 943.A O no hydrogen 2.852 N/A PHE 869.A N VAL 648.A O no hydrogen 2.851 N/A TYR 870.A N VAL 941.A O no hydrogen 2.828 N/A ALA 871.A N TYR 646.A O no hydrogen 2.862 N/A ALA 872.A N ILE 939.A O.A no hydrogen 2.916 N/A ALA 872.A N ILE 939.A O.B no hydrogen 2.950 N/A LYS 873.A NZ ASP 936.A OD2 no hydrogen 3.496 N/A LEU 874.A N ASN 937.A O no hydrogen 2.735 N/A LEU 876.A N GLY 935.A O no hydrogen 2.996 N/A LEU 878.A N TYR 933.A O no hydrogen 2.823 N/A ALA 880.A N LEU 878.A O no hydrogen 2.791 N/A GLU 882.A N PRO 879.A O no hydrogen 3.192 N/A TYR 883.A N PRO 879.A O no hydrogen 2.890 N/A TYR 883.A OH GLU 631.A O no hydrogen 2.673 N/A ASP 884.A N ILE 964.A O no hydrogen 2.811 N/A SER 888.A N LYS 959.A O no hydrogen 2.917 N/A SER 888.A OG GLU 923.A OE2 no hydrogen 2.743 N/A SER 888.A OG LYS 959.A O no hydrogen 3.570 N/A PHE 889.A N PHE 924.A O no hydrogen 2.887 N/A VAL 890.A N ALA 957.A O no hydrogen 2.769 N/A PHE 891.A N THR 922.A O no hydrogen 2.866 N/A ASP 892.A N GLY 955.A O no hydrogen 2.886 N/A TYR 900.A N SER 916.A OG no hydrogen 2.877 N/A ARG 901.A N TRP 944.A O no hydrogen 2.951 N/A ARG 901.A NH1 ALA 720.A O no hydrogen 2.884 N/A ARG 901.A NH2 ALA 720.A O no hydrogen 3.021 N/A ARG 901.A NH2 ASP 766.A OD2 no hydrogen 2.814 N/A ALA 902.A N TYR 914.A O no hydrogen 2.821 N/A LEU 903.A N ALA 942.A O no hydrogen 3.155 N/A LEU 904.A N GLY 912.A O no hydrogen 2.862 N/A TYR 905.A N GLY 940.A O no hydrogen 2.852 N/A TYR 905.A OH ASN 824.A O no hydrogen 3.394 N/A TYR 905.A OH GLU 831.A OE2 no hydrogen 2.458 N/A VAL 906.A N PHE 909.A O no hydrogen 2.856 N/A ASN 907.A N TRP 938.A O no hydrogen 2.843 N/A ASN 907.A ND2 ILE 930.A O no hydrogen 2.858 N/A ASN 907.A ND2 ASN 937.A OD1 no hydrogen 2.880 N/A PHE 909.A N VAL 906.A O no hydrogen 2.967 N/A GLN 910.A N ASN 824.A OD1 no hydrogen 2.873 N/A GLN 910.A NE2 ASN 315.A OD1 no hydrogen 2.957 N/A TYR 911.A N LEU 904.A O no hydrogen 2.802 N/A GLY 912.A N GLN 910.A OE1 no hydrogen 2.898 N/A LYS 913.A N THR 323.A OG1 no hydrogen 2.932 N/A LYS 913.A NZ ASP 766.A OD1 no hydrogen 3.157 N/A LYS 913.A NZ ASP 766.A OD2 no hydrogen 2.770 N/A TYR 914.A N ALA 902.A O no hydrogen 2.837 N/A SER 916.A N TYR 900.A O no hydrogen 2.831 N/A SER 916.A OG TYR 900.A O no hydrogen 3.160 N/A ASN 917.A ND2 THR 736.A O no hydrogen 3.011 N/A ILE 918.A N VAL 915.A O no hydrogen 3.104 N/A GLY 919.A N VAL 915.A O no hydrogen 2.925 N/A GLN 921.A NE2 GLU 923.A O no hydrogen 2.867 N/A PHE 924.A N PHE 889.A O no hydrogen 2.815 N/A VAL 926.A N LEU 887.A O no hydrogen 3.217 N/A GLY 929.A N LEU 931.A O no hydrogen 2.876 N/A ILE 930.A N PRO 927.A O no hydrogen 3.062 N/A LEU 931.A N PRO 927.A O no hydrogen 3.016 N/A ASP 932.A N ASN 937.A OD1 no hydrogen 2.780 N/A TYR 933.A OH ILE 885.A O no hydrogen 2.659 N/A ASN 934.A N ASP 932.A OD1 no hydrogen 2.910 N/A ASN 934.A ND2 LEU 878.A O no hydrogen 3.304 N/A GLY 935.A N LEU 876.A O no hydrogen 2.996 N/A ASN 937.A N LEU 874.A O no hydrogen 2.981 N/A ASN 937.A ND2 LEU 874.A O no hydrogen 3.076 N/A ASN 937.A ND2 ASP 932.A O no hydrogen 2.913 N/A TRP 938.A N ASN 907.A OD1 no hydrogen 2.837 N/A ILE 939.A N.A ALA 872.A O no hydrogen 2.878 N/A ILE 939.A N.B ALA 872.A O no hydrogen 2.860 N/A GLY 940.A N TYR 905.A O no hydrogen 2.826 N/A VAL 941.A N TYR 870.A O no hydrogen 2.819 N/A ALA 942.A N LEU 903.A O no hydrogen 2.878 N/A LEU 943.A N ALA 868.A O no hydrogen 2.811 N/A TRP 944.A N ARG 901.A O no hydrogen 2.856 N/A TRP 944.A NE1 SER 724.A OG no hydrogen 2.922 N/A ALA 945.A N GLY 866.A O no hydrogen 2.868 N/A LEU 946.A N PRO 899.A O no hydrogen 3.330 N/A ARG 949.A NE GLU 947.A OE1 no hydrogen 2.613 N/A ARG 949.A NH2 GLU 947.A OE1 no hydrogen 2.583 N/A GLY 950.A N GLU 947.A O no hydrogen 2.944 N/A ALA 951.A N ILE 862.A O no hydrogen 2.909 N/A VAL 953.A N PRO 858.A O no hydrogen 3.040 N/A ALA 957.A N VAL 890.A O no hydrogen 3.002 N/A LYS 959.A N SER 888.A O no hydrogen 2.830 N/A LYS 961.A N PRO 886.A O no hydrogen 3.038 N/A LYS 961.A NZ GLU 923.A OE2 no hydrogen 3.231 N/A ILE 964.A N ASP 884.A O no hydrogen 2.953 N/A LEU 965.A N PHE 589.A O no hydrogen 2.887 N/A THR 966.A N GLU 882.A O no hydrogen 2.947 N/A THR 966.A OG1 ASP 588.A OD1 no hydrogen 3.222 N/A THR 966.A OG1 ASP 588.A OD2 no hydrogen 2.834 N/A GLY 967.A N ASP 588.A OD1 no hydrogen 2.925 N/A ARG 968.A N THR 966.A OG1 no hydrogen 3.133 N/A ARG 968.A NH1 GLU 928.A OE1 no hydrogen 3.443 N/A ARG 968.A NH2 ALA 880.A O no hydrogen 3.164 N/A ARG 968.A NH2 GLU 928.A OE1 no hydrogen 2.741 N/A GLU 972.A N SER 39.A OG no hydrogen 2.916 N/A VAL 974.A N GLY 929.A O no hydrogen 2.791 N/A PHE 979.A N PRO 838.A O no hydrogen 2.756 N/A ARG 982.A NH1 GLU 825.A OE1 no hydrogen 2.971 N/A ARG 982.A NH1 ARG 832.A O no hydrogen 3.043 N/A ARG 982.A NH2 GLU 825.A OE2 no hydrogen 2.780 N/A ALA 985.A N ARG 982.A O no hydrogen 3.440 N/A TYR 986.A OH THR 807.A OG1 no hydrogen 2.663 N/A