Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hps_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 7.A N ALA 21.A O no hydrogen 2.945 N/A ARG 10.A N GLN 13.A OE1 no hydrogen 3.081 N/A GLN 13.A N ARG 10.A O no hydrogen 3.017 N/A GLN 13.A NE2 ASN 17.A O no hydrogen 2.952 N/A GLN 13.A NE2 GLN 19.A O no hydrogen 2.931 N/A ASN 17.A N PRO 14.A O no hydrogen 3.040 N/A GLN 19.A N ASN 17.A OD1 no hydrogen 2.962 N/A ALA 21.A N GLY 7.A O no hydrogen 2.839 N/A MET 24.A N SER 22.A OG no hydrogen 3.009 N/A VAL 26.A N MET 24.A O no hydrogen 2.742 N/A ARG 28.A N PRO 25.A O no hydrogen 3.161 N/A TYR 29.A N VAL 26.A O no hydrogen 3.053 N/A ARG 30.A NE GLU 35.A OE1 no hydrogen 2.751 N/A ARG 30.A NH1 GLU 35.A OE1 no hydrogen 2.997 N/A GLU 34.A N PRO 31.A O no hydrogen 2.968 N/A GLU 35.A N PRO 31.A O no hydrogen 2.942 N/A VAL 36.A N PHE 32.A O no hydrogen 2.811 N/A ARG 44.A NE ASP 248.A OD1 no hydrogen 2.813 N/A ARG 44.A NH2 ASP 248.A OD2 no hydrogen 2.865 N/A THR 45.A N GLU 251.A OE1 no hydrogen 2.904 N/A THR 45.A N GLU 251.A OE2 no hydrogen 3.156 N/A THR 45.A OG1 GLU 251.A OE1 no hydrogen 3.366 N/A THR 45.A OG1 GLU 251.A OE2 no hydrogen 2.620 N/A TRP 46.A N GLU 251.A OE1 no hydrogen 3.139 N/A TRP 46.A NE1 ASP 248.A OD1 no hydrogen 2.750 N/A ASP 48.A N THR 45.A O no hydrogen 2.997 N/A ARG 49.A N TRP 46.A O no hydrogen 3.157 N/A LEU 56.A N ASP 289.A O no hydrogen 3.165 N/A TRP 57.A NE1 PRO 321.A O no hydrogen 2.906 N/A CYS 58.A N ILE 291.A O no hydrogen 2.881 N/A CYS 58.A SG GLU 92.A O no hydrogen 3.782 N/A CYS 58.A SG GLN 124.A OE1 no hydrogen 3.654 N/A ALA 59.A N GLU 92.A O no hydrogen 3.024 N/A VAL 60.A N GLY 293.A O no hydrogen 2.860 N/A ARG 63.A N VAL 60.A O no hydrogen 3.059 N/A ARG 63.A NE GLU 94.A OE1 no hydrogen 2.802 N/A ARG 63.A NH2 GLU 94.A OE1 no hydrogen 3.323 N/A GLY 65.A N VAL 60.A O no hydrogen 3.238 N/A ASN 66.A N ASP 61.A O no hydrogen 2.789 N/A GLN 67.A N ARG 63.A O no hydrogen 2.905 N/A ALA 68.A N GLY 65.A O no hydrogen 2.972 N/A LEU 69.A N ASN 66.A O no hydrogen 3.238 N/A MET 73.A N ASN 66.A OD1 no hydrogen 2.726 N/A ARG 77.A N SER 74.A OG no hydrogen 3.131 N/A ARG 77.A NE CYS 338.A O no hydrogen 2.793 N/A ARG 77.A NH2 ASP 71.A O no hydrogen 2.737 N/A ARG 77.A NH2 CYS 338.A O no hydrogen 2.781 N/A LYS 78.A N SER 74.A O no hydrogen 2.951 N/A LYS 78.A NZ ASP 104.A OD1 no hydrogen 2.800 N/A ARG 79.A N PRO 75.A O no hydrogen 3.087 N/A ARG 80.A N ALA 76.A O no hydrogen 3.069 N/A MET 81.A N ARG 77.A O no hydrogen 2.982 N/A PHE 82.A N LYS 78.A O no hydrogen 2.891 N/A ASP 83.A N ARG 79.A O no hydrogen 2.861 N/A LEU 84.A N ARG 80.A O no hydrogen 2.998 N/A LEU 85.A N MET 81.A O no hydrogen 2.918 N/A VAL 86.A N PHE 82.A O no hydrogen 3.002 N/A ARG 87.A N ASP 83.A O no hydrogen 2.903 N/A ARG 87.A NH2 GLU 330.A OE2 no hydrogen 3.314 N/A MET 88.A N LEU 84.A O no hydrogen 2.836 N/A GLY 89.A N LEU 85.A O no hydrogen 3.319 N/A GLY 89.A N VAL 86.A O no hydrogen 3.128 N/A TYR 90.A N LEU 85.A O no hydrogen 3.067 N/A LYS 91.A NZ ASP 120.A OD2 no hydrogen 2.794 N/A ILE 93.A N THR 122.A O no hydrogen 3.318 N/A GLU 94.A N ALA 59.A O no hydrogen 2.932 N/A VAL 95.A N GLN 124.A O no hydrogen 2.815 N/A PHE 97.A N ASP 104.A OD2 no hydrogen 2.915 N/A ALA 100.A N PHE 97.A O no hydrogen 2.957 N/A GLN 102.A NE2 ASP 106.A OD1 no hydrogen 2.564 N/A THR 103.A OG1 SER 101.A OG no hydrogen 3.071 N/A ASP 104.A N SER 101.A OG no hydrogen 3.145 N/A PHE 105.A N SER 101.A O no hydrogen 2.931 N/A ASP 106.A N GLN 102.A O no hydrogen 2.839 N/A PHE 107.A N THR 103.A O no hydrogen 2.988 N/A VAL 108.A N ASP 104.A O no hydrogen 2.982 N/A ARG 109.A N PHE 105.A O no hydrogen 3.017 N/A ARG 109.A NE GLU 113.A OE2 no hydrogen 3.322 N/A ARG 109.A NH1 GLU 113.A OE2 no hydrogen 2.910 N/A ARG 109.A NH2 ALA 140.A O no hydrogen 2.723 N/A ARG 109.A NH2 SER 142.A O no hydrogen 2.870 N/A GLU 110.A N ASP 106.A O no hydrogen 2.812 N/A ILE 111.A N PHE 107.A O no hydrogen 3.029 N/A ILE 112.A N VAL 108.A O no hydrogen 3.073 N/A GLU 113.A N ARG 109.A O no hydrogen 2.771 N/A GLN 114.A N GLU 110.A O no hydrogen 2.845 N/A GLY 115.A N ILE 112.A O no hydrogen 3.088 N/A ALA 116.A N ILE 111.A O no hydrogen 3.066 N/A VAL 121.A N PRO 118.A O no hydrogen 3.079 N/A THR 122.A N LYS 91.A O no hydrogen 2.807 N/A GLN 124.A N ILE 93.A O no hydrogen 2.915 N/A GLN 124.A NE2 GLU 94.A OE2 no hydrogen 2.912 N/A GLN 124.A NE2 GLU 292.A OE1 no hydrogen 3.091 N/A VAL 125.A N ILE 148.A O no hydrogen 2.974 N/A LEU 126.A N GLY 96.A O no hydrogen 2.974 N/A THR 127.A N HIS 150.A O no hydrogen 2.869 N/A THR 127.A OG1 GLN 128.A O no hydrogen 2.937 N/A THR 127.A OG1 THR 137.A OG1 no hydrogen 3.050 N/A CYS 129.A SG TYR 152.A O no hydrogen 3.407 N/A CYS 129.A SG ILE 174.A O no hydrogen 3.710 N/A ARG 130.A NE GLU 132.A OE2 no hydrogen 2.753 N/A ARG 130.A NH2 GLU 132.A OE2 no hydrogen 2.987 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.887 N/A LEU 133.A N ARG 130.A O no hydrogen 2.924 N/A ILE 134.A N ARG 130.A O no hydrogen 2.980 N/A GLU 135.A N PRO 131.A O no hydrogen 2.890 N/A ARG 136.A N GLU 132.A O no hydrogen 3.127 N/A ARG 136.A NH1 GLN 102.A OE1 no hydrogen 3.185 N/A THR 137.A N LEU 133.A O no hydrogen 3.020 N/A THR 137.A OG1 THR 127.A OG1 no hydrogen 3.050 N/A THR 137.A OG1 LEU 133.A O no hydrogen 2.758 N/A PHE 138.A N ILE 134.A O no hydrogen 3.079 N/A GLN 139.A N GLU 135.A O no hydrogen 2.954 N/A ALA 140.A N ARG 136.A O no hydrogen 2.921 N/A CYS 141.A N THR 137.A O no hydrogen 3.085 N/A CYS 141.A SG THR 137.A O no hydrogen 3.655 N/A SER 142.A N GLN 139.A O no hydrogen 3.229 N/A ALA 144.A N CYS 141.A O no hydrogen 2.828 N/A ARG 146.A NH2 VAL 121.A O no hydrogen 2.753 N/A ALA 147.A N GLN 193.A O no hydrogen 3.177 N/A ILE 148.A N ILE 123.A O no hydrogen 2.845 N/A VAL 149.A N ARG 195.A O no hydrogen 2.858 N/A HIS 150.A N VAL 125.A O no hydrogen 2.937 N/A HIS 150.A ND1 GLU 94.A OE2 no hydrogen 2.987 N/A HIS 150.A NE2 SER 199.A OG no hydrogen 2.625 N/A PHE 151.A N GLU 197.A O no hydrogen 2.932 N/A TYR 152.A N THR 127.A O no hydrogen 3.267 N/A ASN 153.A N SER 199.A O no hydrogen 3.434 N/A ASN 153.A ND2 VAL 171.A O no hydrogen 3.115 N/A SER 154.A OG.A GLN 159.A OE1 no hydrogen 3.348 N/A SER 154.A OG.A GLU 201.A OE1 no hydrogen 2.678 N/A SER 154.A OG.B GLU 201.A O no hydrogen 3.385 N/A SER 154.A OG.B GLU 201.A OE1 no hydrogen 2.759 N/A THR 155.A N GLU 201.A O no hydrogen 2.937 N/A THR 155.A OG1 GLU 201.A O no hydrogen 3.416 N/A THR 155.A OG1 THR 206.A OG1 no hydrogen 2.872 N/A ILE 157.A N GLY 205.A O no hydrogen 3.007 N/A GLN 159.A N SER 156.A OG no hydrogen 3.128 N/A ARG 160.A N SER 156.A O no hydrogen 2.877 N/A ARG 160.A NH1 GLU 207.A OE1 no hydrogen 2.942 N/A ARG 160.A NH2 THR 155.A O no hydrogen 2.906 N/A ARG 160.A NH2 GLU 207.A OE2 no hydrogen 2.898 N/A ARG 161.A N ILE 157.A O no hydrogen 3.181 N/A VAL 162.A N LEU 158.A O no hydrogen 2.908 N/A VAL 163.A N GLN 159.A O no hydrogen 2.987 N/A PHE 164.A N GLN 159.A O no hydrogen 2.880 N/A ALA 166.A N ARG 160.A O no hydrogen 2.919 N/A ASN 167.A N GLU 170.A OE2 no hydrogen 2.983 N/A ARG 168.A NH1 GLU 207.A OE1 no hydrogen 2.730 N/A GLU 170.A N ASN 167.A OD1 no hydrogen 2.877 N/A VAL 171.A N ASN 167.A O no hydrogen 3.057 N/A GLN 172.A N ARG 168.A O no hydrogen 2.945 N/A ALA 173.A N ALA 169.A O no hydrogen 3.020 N/A ILE 174.A N GLU 170.A O no hydrogen 3.027 N/A ALA 175.A N VAL 171.A O no hydrogen 3.393 N/A THR 176.A N GLN 172.A O no hydrogen 2.904 N/A ASP 177.A N ALA 173.A O no hydrogen 2.747 N/A GLY 178.A N ILE 174.A O no hydrogen 2.971 N/A ALA 179.A N ALA 175.A O no hydrogen 2.870 N/A ARG 180.A N THR 176.A O no hydrogen 2.973 N/A ARG 180.A NH1 ASP 177.A OD1 no hydrogen 2.826 N/A LYS 181.A N ASP 177.A O no hydrogen 3.005 N/A LYS 181.A NZ GLU 135.A OE2 no hydrogen 2.518 N/A LYS 181.A NZ GLU 184.A OE2 no hydrogen 3.253 N/A CYS 182.A N GLY 178.A O no hydrogen 2.907 N/A CYS 182.A SG GLY 178.A O no hydrogen 3.487 N/A VAL 183.A N ALA 179.A O no hydrogen 2.964 N/A GLU 184.A N ARG 180.A O no hydrogen 2.960 N/A GLN 185.A N LYS 181.A O no hydrogen 2.892 N/A GLN 185.A NE2 GLU 184.A OE2 no hydrogen 2.687 N/A ALA 186.A N CYS 182.A O no hydrogen 2.908 N/A ALA 187.A N VAL 183.A O no hydrogen 3.147 N/A LYS 188.A N GLN 185.A O no hydrogen 2.910 N/A TYR 189.A N ALA 186.A O no hydrogen 3.237 N/A THR 192.A OG1 ALA 144.A O no hydrogen 2.587 N/A GLN 193.A N PRO 145.A O no hydrogen 2.940 N/A TRP 194.A NE1 TYR 189.A O no hydrogen 2.893 N/A ARG 195.A N ALA 147.A O no hydrogen 2.895 N/A ARG 195.A NH2 GLU 92.A OE2 no hydrogen 3.258 N/A GLU 197.A N VAL 149.A O no hydrogen 2.882 N/A TYR 198.A N ILE 231.A O no hydrogen 2.887 N/A TYR 198.A OH ASN 153.A OD1 no hydrogen 2.714 N/A SER 199.A N PHE 151.A O no hydrogen 3.229 N/A SER 199.A OG HIS 150.A NE2 no hydrogen 2.625 N/A SER 199.A OG ASN 233.A O no hydrogen 3.314 N/A GLU 201.A N ASN 153.A O no hydrogen 3.002 N/A SER 202.A N THR 237.A OG1 no hydrogen 2.834 N/A SER 202.A OG GLU 201.A OE1 no hydrogen 2.620 N/A TYR 203.A OH SER 249.A OG no hydrogen 2.841 N/A THR 204.A OG1 VAL 238.A O no hydrogen 2.746 N/A GLY 205.A N SER 202.A O no hydrogen 2.920 N/A THR 206.A N TYR 203.A O no hydrogen 2.985 N/A THR 206.A OG1 THR 155.A OG1 no hydrogen 2.872 N/A THR 206.A OG1 SER 202.A O no hydrogen 2.794 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.681 N/A LEU 208.A N GLU 37.A OE1 no hydrogen 2.824 N/A TYR 210.A OH ARG 168.A O no hydrogen 2.626 N/A ALA 211.A N GLU 207.A O no hydrogen 2.912 N/A LYS 212.A N LEU 208.A O no hydrogen 2.879 N/A GLN 213.A N GLU 209.A O no hydrogen 2.915 N/A VAL 214.A N TYR 210.A O no hydrogen 2.943 N/A CYS 215.A N ALA 211.A O no hydrogen 2.969 N/A CYS 215.A SG ALA 211.A O no hydrogen 3.426 N/A ASP 216.A N LYS 212.A O no hydrogen 2.874 N/A ALA 217.A N GLN 213.A O no hydrogen 3.023 N/A VAL 218.A N VAL 214.A O no hydrogen 2.864 N/A GLY 219.A N CYS 215.A O no hydrogen 2.868 N/A GLU 220.A N ASP 216.A O no hydrogen 2.841 N/A VAL 221.A N ALA 217.A O no hydrogen 3.284 N/A ILE 222.A N VAL 218.A O no hydrogen 3.036 N/A ALA 223.A N GLY 219.A O no hydrogen 2.787 N/A THR 225.A N ARG 228.A O no hydrogen 3.121 N/A ARG 228.A N THR 225.A OG1 no hydrogen 2.793 N/A ILE 230.A N SER 262.A O no hydrogen 2.853 N/A ILE 231.A N PHE 196.A O no hydrogen 3.082 N/A PHE 232.A N ILE 264.A O no hydrogen 3.098 N/A ASN 233.A N TYR 198.A O no hydrogen 2.956 N/A ASN 233.A ND2 SER 199.A OG no hydrogen 2.964 N/A LEU 234.A N SER 266.A O no hydrogen 2.775 N/A ALA 236.A N HIS 268.A O no hydrogen 2.951 N/A GLU 239.A N ASP 272.A OD2 no hydrogen 2.855 N/A THR 242.A N THR 241.A OG1 no hydrogen 2.787 N/A THR 242.A OG1 ASN 244.A OD1 no hydrogen 2.610 N/A VAL 245.A N THR 242.A O no hydrogen 3.102 N/A TYR 246.A N THR 242.A O no hydrogen 3.409 N/A TYR 246.A OH LEU 234.A O no hydrogen 2.838 N/A ALA 247.A N PRO 243.A O no hydrogen 2.975 N/A ASP 248.A N ASN 244.A O no hydrogen 2.815 N/A SER 249.A N VAL 245.A O no hydrogen 2.955 N/A SER 249.A OG TYR 203.A OH no hydrogen 2.841 N/A SER 249.A OG TYR 246.A O no hydrogen 2.643 N/A ILE 250.A N TYR 246.A O no hydrogen 2.966 N/A GLU 251.A N ALA 247.A O no hydrogen 2.920 N/A TRP 252.A N ASP 248.A O no hydrogen 2.966 N/A MET 253.A N SER 249.A O no hydrogen 2.850 N/A SER 254.A N ILE 250.A O no hydrogen 2.715 N/A ARG 255.A N GLU 251.A O no hydrogen 2.897 N/A ARG 255.A NH1 ASN 43.A O no hydrogen 2.537 N/A ARG 255.A NH1 GLU 251.A OE2 no hydrogen 2.718 N/A ARG 255.A NH2 ARG 42.A O no hydrogen 2.919 N/A ASN 256.A N MET 253.A O no hydrogen 3.159 N/A LEU 257.A N MET 253.A O no hydrogen 2.930 N/A ALA 258.A N ASP 216.A OD2 no hydrogen 2.937 N/A ASN 259.A ND2 PRO 224.A O no hydrogen 3.185 N/A ARG 260.A NE SER 254.A O no hydrogen 3.316 N/A ARG 260.A NE SER 254.A OG no hydrogen 2.978 N/A ARG 260.A NH1 ARG 260.A O no hydrogen 3.330 N/A ARG 260.A NH1 ASP 289.A OD2 no hydrogen 3.222 N/A ARG 260.A NH2 SER 254.A OG no hydrogen 2.973 N/A ARG 260.A NH2 ASP 289.A OD2 no hydrogen 3.119 N/A GLU 261.A N GLU 261.A OE1.A no hydrogen 2.869 N/A SER 262.A N ASN 259.A O no hydrogen 2.841 N/A SER 262.A OG PRO 224.A O no hydrogen 3.473 N/A SER 262.A OG ASN 259.A OD1 no hydrogen 2.889 N/A VAL 263.A N ARG 260.A O no hydrogen 3.137 N/A ILE 264.A N ILE 230.A O no hydrogen 2.765 N/A LEU 265.A N ASP 289.A OD2 no hydrogen 2.802 N/A SER 266.A N PHE 232.A O no hydrogen 2.848 N/A SER 266.A OG ASN 233.A OD1 no hydrogen 2.724 N/A LEU 267.A N ARG 290.A O no hydrogen 2.902 N/A HIS 268.A ND1 GLU 292.A OE2 no hydrogen 2.669 N/A HIS 268.A NE2 ASP 64.A OD2 no hydrogen 2.916 N/A HIS 270.A N ALA 236.A O no hydrogen 3.101 N/A HIS 270.A ND1 GLY 303.A O no hydrogen 3.114 N/A ARG 273.A N GLU 239.A OE1 no hydrogen 2.863 N/A GLY 274.A N ASN 271.A O no hydrogen 2.828 N/A THR 275.A N GLU 239.A OE1 no hydrogen 3.011 N/A THR 275.A OG1 GLU 239.A OE2 no hydrogen 2.599 N/A ALA 276.A N ASN 271.A OD1 no hydrogen 2.904 N/A ALA 279.A N THR 275.A O no hydrogen 2.884 N/A ALA 280.A N ALA 276.A O no hydrogen 2.956 N/A GLU 281.A N VAL 277.A O no hydrogen 2.963 N/A LEU 282.A N ALA 278.A O no hydrogen 2.828 N/A GLY 283.A N ALA 279.A O no hydrogen 2.796 N/A PHE 284.A N ALA 280.A O no hydrogen 2.859 N/A ALA 285.A N GLU 281.A O no hydrogen 3.174 N/A ALA 286.A N LEU 282.A O no hydrogen 2.903 N/A ALA 286.A N GLY 283.A O no hydrogen 3.045 N/A GLY 287.A N PHE 284.A O no hydrogen 3.031 N/A ALA 288.A N GLY 283.A O no hydrogen 3.458 N/A ASP 289.A N LEU 265.A O no hydrogen 2.620 N/A ARG 290.A N LEU 265.A O no hydrogen 3.041 N/A ARG 290.A NE GLU 92.A OE1 no hydrogen 2.823 N/A ARG 290.A NH1 SER 266.A OG no hydrogen 3.070 N/A ARG 290.A NH1 GLU 292.A OE1 no hydrogen 2.951 N/A ARG 290.A NH2 GLU 92.A OE1 no hydrogen 2.803 N/A ARG 290.A NH2 GLN 124.A OE1 no hydrogen 2.637 N/A ILE 291.A N LEU 56.A O no hydrogen 2.966 N/A GLU 292.A N LEU 267.A O no hydrogen 2.840 N/A GLY 293.A N CYS 58.A O no hydrogen 3.096 N/A CYS 294.A N VAL 305.A O no hydrogen 3.095 N/A CYS 294.A SG ASN 298.A O no hydrogen 3.297 N/A CYS 294.A SG ASN 304.A OD1 no hydrogen 3.574 N/A LEU 295.A N ASP 61.A OD2 no hydrogen 2.728 N/A GLY 297.A N CYS 294.A O no hydrogen 3.263 N/A GLU 300.A N ASP 64.A OD1 no hydrogen 3.503 N/A ARG 301.A NE ASP 272.A OD1 no hydrogen 2.966 N/A ARG 301.A NH1 THR 237.A O no hydrogen 2.764 N/A ARG 301.A NH1 ASP 272.A OD1 no hydrogen 3.160 N/A ARG 301.A NH1 ASP 272.A OD2 no hydrogen 2.925 N/A GLY 303.A N GLU 300.A O no hydrogen 2.832 N/A ASN 304.A N ASN 298.A O no hydrogen 2.889 N/A ASN 304.A ND2 ASP 64.A OD2 no hydrogen 2.806 N/A VAL 305.A N PRO 269.A O no hydrogen 2.965 N/A CYS 306.A SG THR 309.A OG1 no hydrogen 3.206 N/A CYS 306.A SG HIS 347.A NE2 no hydrogen 3.230 N/A LEU 307.A N CYS 294.A O no hydrogen 2.901 N/A LEU 310.A N CYS 306.A O no hydrogen 3.055 N/A GLY 311.A N LEU 307.A O no hydrogen 2.893 N/A LEU 312.A N VAL 308.A O no hydrogen 2.917 N/A ASN 313.A N THR 309.A O no hydrogen 2.804 N/A ASN 313.A ND2 GLU 281.A OE2 no hydrogen 2.731 N/A LEU 314.A N LEU 310.A O no hydrogen 3.392 N/A LEU 314.A N GLY 311.A O no hydrogen 3.258 N/A PHE 315.A N GLY 311.A O no hydrogen 3.144 N/A SER 316.A N LEU 312.A O no hydrogen 2.947 N/A SER 316.A OG LEU 312.A O no hydrogen 2.890 N/A SER 316.A OG ASN 313.A O no hydrogen 3.479 N/A SER 316.A OG TYR 349.A OH no hydrogen 3.317 N/A ARG 317.A N LEU 314.A O no hydrogen 2.976 N/A GLY 318.A N PHE 315.A O no hydrogen 3.013 N/A VAL 319.A N LEU 314.A O no hydrogen 2.897 N/A GLN 322.A N ASP 320.A OD1 no hydrogen 2.787 N/A ASP 324.A N MET 88.A O no hydrogen 2.911 N/A SER 326.A N ASP 324.A OD1 no hydrogen 3.174 N/A SER 326.A OG ASP 324.A OD1 no hydrogen 2.857 N/A SER 326.A OG ASP 324.A OD2 no hydrogen 2.935 N/A ILE 328.A N VAL 401.A O no hydrogen 2.992 N/A GLU 330.A N ASN 327.A OD1 no hydrogen 3.114 N/A ILE 331.A N ASN 327.A O no hydrogen 3.210 N/A ARG 332.A N ILE 328.A O no hydrogen 2.770 N/A ARG 332.A NE GLU 336.A OE2 no hydrogen 2.893 N/A ARG 332.A NH1 GLY 350.A O no hydrogen 3.148 N/A ARG 332.A NH1 ASP 352.A OD1 no hydrogen 2.751 N/A ARG 332.A NH2 ASP 352.A OD1 no hydrogen 2.959 N/A ARG 333.A N ASP 329.A O no hydrogen 2.765 N/A THR 334.A N GLU 330.A O no hydrogen 3.045 N/A THR 334.A OG1 GLU 330.A O no hydrogen 3.140 N/A VAL 335.A N ILE 331.A O no hydrogen 2.849 N/A GLU 336.A N ARG 332.A O no hydrogen 2.886 N/A TYR 337.A N ARG 333.A O no hydrogen 3.029 N/A CYS 338.A N THR 334.A O no hydrogen 2.871 N/A CYS 338.A SG ARG 77.A O no hydrogen 3.371 N/A CYS 338.A SG THR 334.A O no hydrogen 3.280 N/A ASN 339.A N VAL 335.A O no hydrogen 2.793 N/A GLN 340.A N GLU 336.A O no hydrogen 2.745 N/A GLN 340.A NE2.B TYR 337.A O no hydrogen 2.832 N/A VAL 343.A N GLU 336.A OE2 no hydrogen 2.824 N/A GLU 345.A N GLU 345.A OE1 no hydrogen 2.733 N/A ARG 346.A N HIS 344.A ND1 no hydrogen 3.223 N/A HIS 347.A N HIS 344.A O no hydrogen 3.006 N/A TYR 349.A OH ASN 313.A OD1 no hydrogen 2.637 N/A TYR 349.A OH SER 316.A OG no hydrogen 3.317 N/A GLY 350.A N PRO 348.A O no hydrogen 2.699 N/A GLY 351.A N HIS 347.A O no hydrogen 2.944 N/A LEU 353.A N GLU 345.A O no hydrogen 2.987 N/A VAL 354.A N GLY 351.A O no hydrogen 3.338 N/A TYR 355.A OH TYR 349.A O no hydrogen 2.798 N/A THR 356.A N LEU 353.A O no hydrogen 3.292 N/A ALA 357.A N GLU 406.A O no hydrogen 3.128 N/A HIS 362.A N SER 359.A OG no hydrogen 2.827 N/A GLN 363.A N SER 359.A O no hydrogen 2.924 N/A GLN 363.A NE2 ALA 357.A O no hydrogen 2.939 N/A GLN 363.A NE2 VAL 408.A O no hydrogen 3.159 N/A ASP 364.A N GLY 360.A O no hydrogen 3.030 N/A ALA 365.A N SER 361.A O no hydrogen 3.043 N/A ILE 366.A N HIS 362.A O no hydrogen 2.821 N/A ASN 367.A N GLN 363.A O no hydrogen 2.977 N/A LYS 368.A N ASP 364.A O no hydrogen 2.982 N/A LYS 368.A NZ ASP 364.A OD1 no hydrogen 2.752 N/A LYS 368.A NZ ASP 364.A OD2 no hydrogen 3.290 N/A GLY 369.A N ALA 365.A O no hydrogen 3.054 N/A LEU 370.A N ILE 366.A O no hydrogen 3.025 N/A ASP 371.A N ASN 367.A O no hydrogen 2.944 N/A ALA 372.A N LYS 368.A O no hydrogen 3.051 N/A MET 373.A N GLY 369.A O no hydrogen 2.944 N/A LYS 374.A N LEU 370.A O no hydrogen 2.981 N/A LEU 375.A N ASP 371.A O no hydrogen 2.841 N/A ASP 376.A N ALA 372.A O no hydrogen 3.109 N/A ALA 377.A N MET 373.A O no hydrogen 3.025 N/A ASP 378.A N LYS 374.A O no hydrogen 3.027 N/A ALA 379.A N LEU 375.A O no hydrogen 2.947 N/A ALA 380.A N ALA 377.A O no hydrogen 3.366 N/A ASP 381.A N ASP 378.A O no hydrogen 3.389 N/A CYS 382.A N ALA 377.A O no hydrogen 2.971 N/A CYS 382.A SG ALA 380.A O no hydrogen 3.641 N/A ASP 385.A N ASP 383.A OD2 no hydrogen 3.247 N/A ASP 386.A N ASP 383.A O no hydrogen 3.085 N/A MET 387.A N VAL 384.A O no hydrogen 3.062 N/A TRP 389.A NE1 LEU 394.A O no hydrogen 2.818 N/A GLN 390.A NE2 TRP 389.A O no hydrogen 2.791 N/A LEU 394.A N VAL 391.A O no hydrogen 3.319 N/A ARG 399.A N ASP 397.A OD1 no hydrogen 3.142 N/A ASP 400.A N ASP 397.A O no hydrogen 2.817 N/A VAL 401.A N PRO 398.A O no hydrogen 3.011 N/A GLY 402.A N ARG 399.A O no hydrogen 2.988 N/A ARG 403.A N PRO 398.A O no hydrogen 2.787 N/A ARG 403.A NH1 GLY 351.A O no hydrogen 3.143 N/A ARG 403.A NH2 GLY 351.A O no hydrogen 3.053 N/A GLU 406.A N TYR 355.A O no hydrogen 3.060 N/A VAL 408.A N ALA 357.A O no hydrogen 3.273 N/A ILE 416.A N GLY 412.A O no hydrogen 2.915 N/A MET 417.A N VAL 413.A O no hydrogen 2.911 N/A LYS 418.A N ALA 414.A O no hydrogen 3.075 N/A THR 419.A N TYR 415.A O no hydrogen 2.863 N/A THR 419.A OG1 TYR 415.A O no hydrogen 2.847 N/A ASP 420.A N ILE 416.A O no hydrogen 2.892 N/A HIS 421.A N MET 417.A O no hydrogen 3.143 N/A GLY 422.A N LYS 418.A O no hydrogen 2.987 N/A LEU 423.A N MET 417.A O no hydrogen 3.197 N/A SER 424.A N HIS 524.A NE2 no hydrogen 3.132 N/A ARG 428.A NE GLU 539.A OE1 no hydrogen 2.823 N/A ARG 428.A NE GLU 539.A OE2 no hydrogen 3.378 N/A ARG 428.A NH2 ASP 520.A OD2 no hydrogen 2.943 N/A ARG 428.A NH2 GLU 539.A OE2 no hydrogen 2.756 N/A GLN 430.A N PRO 426.A O no hydrogen 2.876 N/A GLN 430.A NE2 LEU 425.A O no hydrogen 2.899 N/A ILE 431.A N ARG 427.A O no hydrogen 2.967 N/A GLU 432.A N ARG 428.A O no hydrogen 2.986 N/A PHE 433.A N LEU 429.A O no hydrogen 2.733 N/A SER 434.A N GLN 430.A O no hydrogen 2.819 N/A SER 434.A OG GLN 430.A O no hydrogen 3.253 N/A SER 434.A OG ILE 431.A O no hydrogen 2.993 N/A GLN 435.A N ILE 431.A O no hydrogen 3.067 N/A VAL 436.A N GLU 432.A O no hydrogen 3.392 N/A ILE 437.A N PHE 433.A O no hydrogen 2.944 N/A GLN 438.A N SER 434.A O no hydrogen 2.712 N/A LYS 439.A N GLN 435.A O no hydrogen 3.260 N/A ILE 440.A N VAL 436.A O no hydrogen 3.248 N/A SER 443.A OG GLU 446.A OE2 no hydrogen 2.998 N/A GLU 446.A N SER 443.A OG no hydrogen 3.240 N/A MET 447.A N SER 443.A O no hydrogen 2.873 N/A TRP 448.A N PRO 444.A O no hydrogen 3.001 N/A ASP 449.A N LYS 445.A O no hydrogen 3.035 N/A ALA 450.A N GLU 446.A O no hydrogen 2.996 N/A PHE 451.A N MET 447.A O no hydrogen 2.924 N/A ALA 452.A N TRP 448.A O no hydrogen 2.809 N/A GLU 453.A N ASP 449.A O no hydrogen 2.930 N/A GLU 454.A N ALA 450.A O no hydrogen 2.958 N/A TYR 455.A N PHE 451.A O no hydrogen 2.978 N/A TYR 455.A OH GLU 432.A OE2 no hydrogen 2.543 N/A LEU 456.A N ALA 452.A O no hydrogen 2.956 N/A ALA 457.A N ALA 452.A O no hydrogen 2.828 N/A ARG 460.A NH2 ASN 488.A O no hydrogen 3.162 N/A LEU 462.A N ASN 572.A OD1 no hydrogen 2.901 N/A GLU 463.A N LYS 486.A O no hydrogen 2.927 N/A ARG 464.A NH1 GLN 467.A OE1 no hydrogen 2.831 N/A ILE 465.A N THR 484.A O no hydrogen 2.896 N/A HIS 468.A N THR 482.A O no hydrogen 2.784 N/A ASP 470.A N SER 480.A O no hydrogen 2.719 N/A ALA 472.A N THR 479.A OG1 no hydrogen 3.358 N/A GLY 477.A N ASP 474.A O no hydrogen 2.951 N/A THR 479.A N GLY 498.A O no hydrogen 2.860 N/A SER 480.A N ASP 470.A O no hydrogen 2.964 N/A SER 480.A OG SER 497.A OG no hydrogen 3.056 N/A ILE 481.A N GLY 496.A O no hydrogen 2.931 N/A THR 482.A N HIS 468.A O no hydrogen 3.101 N/A ALA 483.A N ILE 494.A O no hydrogen 2.854 N/A THR 484.A N ARG 466.A O no hydrogen 2.975 N/A THR 484.A OG1 GLU 493.A OE1 no hydrogen 3.549 N/A THR 484.A OG1 GLU 493.A OE2 no hydrogen 2.719 N/A VAL 485.A N THR 492.A O no hydrogen 2.885 N/A LYS 486.A N GLU 463.A O no hydrogen 2.753 N/A ILE 487.A N VAL 490.A O no hydrogen 2.895 N/A ASN 488.A N PRO 461.A O no hydrogen 2.783 N/A VAL 490.A N ILE 487.A O no hydrogen 2.964 N/A THR 492.A N VAL 485.A O no hydrogen 2.756 N/A THR 492.A OG1 GLU 493.A O no hydrogen 3.562 N/A ILE 494.A N ALA 483.A O no hydrogen 2.979 N/A SER 495.A OG ILE 481.A O no hydrogen 2.828 N/A GLY 496.A N ILE 481.A O no hydrogen 3.049 N/A SER 497.A OG SER 480.A OG no hydrogen 3.056 N/A GLY 498.A N THR 479.A O no hydrogen 2.910 N/A ALA 504.A N GLY 500.A O no hydrogen 2.887 N/A PHE 505.A N PRO 501.A O no hydrogen 3.049 N/A VAL 506.A N LEU 502.A O no hydrogen 2.962 N/A HIS 507.A N ALA 503.A O no hydrogen 2.983 N/A ALA 508.A N ALA 504.A O no hydrogen 2.975 N/A LEU 509.A N PHE 505.A O no hydrogen 3.081 N/A ALA 510.A N VAL 506.A O no hydrogen 3.136 N/A VAL 512.A N LEU 509.A O no hydrogen 2.946 N/A GLY 513.A N ALA 510.A O no hydrogen 3.323 N/A PHE 514.A N LEU 509.A O no hydrogen 3.208 N/A ASP 515.A N THR 543.A O no hydrogen 2.891 N/A ALA 517.A N SER 541.A O no hydrogen 3.011 N/A LEU 519.A N GLU 539.A O no hydrogen 2.717 N/A ASP 520.A N GLU 539.A O no hydrogen 3.351 N/A TYR 521.A N ASP 520.A OD1 no hydrogen 2.878 N/A TYR 521.A OH GLU 523.A OE1 no hydrogen 2.528 N/A TYR 522.A N TYR 537.A O no hydrogen 2.956 N/A TYR 522.A OH ASP 520.A OD2 no hydrogen 2.541 N/A HIS 524.A N ALA 535.A O no hydrogen 2.943 N/A HIS 524.A ND1 ALA 525.A O no hydrogen 2.826 N/A HIS 524.A NE2 TYR 537.A OH no hydrogen 2.961 N/A MET 526.A N GLN 533.A O no hydrogen 2.815 N/A SER 527.A OG ALA 528.A O no hydrogen 3.097 N/A ALA 532.A N GLY 529.A O no hydrogen 3.241 N/A ALA 534.A N ALA 556.A O no hydrogen 2.807 N/A ALA 535.A N HIS 524.A O no hydrogen 2.890 N/A ALA 536.A N GLY 554.A O no hydrogen 2.686 N/A TYR 537.A N TYR 522.A O no hydrogen 2.823 N/A TYR 537.A OH HIS 524.A NE2 no hydrogen 2.961 N/A VAL 538.A N GLY 552.A O no hydrogen 2.873 N/A GLU 539.A N ASP 520.A O no hydrogen 2.935 N/A ALA 540.A N VAL 550.A O no hydrogen 2.891 N/A SER 541.A N ALA 517.A O no hydrogen 2.828 N/A VAL 542.A N LYS 548.A O no hydrogen 2.760 N/A THR 543.A N ASP 515.A O no hydrogen 2.909 N/A ALA 545.A N GLY 513.A O no hydrogen 2.793 N/A SER 547.A N THR 543.A OG1 no hydrogen 2.787 N/A LYS 548.A N VAL 542.A O no hydrogen 2.890 N/A VAL 550.A N ALA 540.A O no hydrogen 2.886 N/A GLY 552.A N VAL 538.A O no hydrogen 2.711 N/A VAL 553.A N SER 569.A OG no hydrogen 2.927 N/A GLY 554.A N ALA 536.A O no hydrogen 2.851 N/A ALA 556.A N ALA 534.A O no hydrogen 3.110 N/A SER 558.A OG THR 561.A OG1 no hydrogen 3.401 N/A THR 561.A N SER 558.A OG no hydrogen 3.241 N/A THR 561.A OG1 SER 558.A OG no hydrogen 3.401 N/A ALA 562.A N SER 558.A O no hydrogen 2.905 N/A SER 563.A OG THR 560.A O no hydrogen 2.831 N/A LEU 564.A N THR 560.A O no hydrogen 3.346 N/A ARG 565.A N THR 561.A O no hydrogen 2.963 N/A ALA 566.A N ALA 562.A O no hydrogen 3.036 N/A VAL 567.A N SER 563.A O no hydrogen 3.108 N/A VAL 568.A N LEU 564.A O no hydrogen 3.133 N/A SER 569.A N ARG 565.A O no hydrogen 2.893 N/A SER 569.A OG TYR 455.A O no hydrogen 2.575 N/A SER 569.A OG VAL 553.A O no hydrogen 3.367 N/A ALA 570.A N ALA 566.A O no hydrogen 3.006 N/A VAL 571.A N VAL 567.A O no hydrogen 3.035 N/A ASN 572.A N VAL 568.A O no hydrogen 3.000 N/A ASN 572.A ND2 PRO 458.A O no hydrogen 3.265 N/A ASN 572.A ND2 LEU 462.A O no hydrogen 2.829 N/A ARG 573.A N SER 569.A O no hydrogen 2.801 N/A ARG 573.A NH1 TRP 551.A O no hydrogen 3.450 N/A ALA 574.A N ALA 570.A O no hydrogen 2.851 N/A ALA 575.A N ASN 572.A O no hydrogen 3.155 N/A