Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ji8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ILE 171.A O no hydrogen 2.969 N/A GLY 6.A N GLN 169.A O no hydrogen 3.053 N/A HIS 8.A N ASP 5.A OD1 no hydrogen 3.208 N/A VAL 9.A N ASP 5.A O no hydrogen 2.991 N/A LEU 10.A N GLY 6.A O no hydrogen 3.080 N/A ILE 11.A N PHE 7.A O no hydrogen 2.997 N/A ASP 12.A N HIS 8.A O no hydrogen 2.822 N/A ALA 13.A N VAL 9.A O no hydrogen 2.828 N/A LEU 14.A N LEU 10.A O no hydrogen 2.887 N/A LYS 15.A N ILE 11.A O no hydrogen 3.009 N/A LYS 15.A NZ ASP 40.A OD1 no hydrogen 3.542 N/A LYS 15.A NZ ASP 40.A OD2 no hydrogen 2.529 N/A MET 16.A N ASP 12.A O no hydrogen 2.814 N/A ASN 17.A N ALA 13.A O no hydrogen 3.229 N/A ASN 17.A ND2 ALA 13.A O no hydrogen 2.995 N/A ASP 18.A N LYS 15.A O no hydrogen 3.010 N/A ILE 19.A N LEU 14.A O no hydrogen 3.048 N/A THR 21.A OG1 ASP 20.A OD1 no hydrogen 2.703 N/A MET 22.A N ARG 43.A O no hydrogen 3.027 N/A TYR 23.A N VAL 69.A O no hydrogen 2.988 N/A GLY 24.A N TYR 45.A O no hydrogen 2.846 N/A VAL 25.A N LEU 71.A O no hydrogen 3.304 N/A GLY 27.A N THR 31.A OG1 no hydrogen 2.872 N/A ILE 30.A N GLY 27.A O no hydrogen 3.006 N/A ALA 34.A N ILE 30.A O no hydrogen 3.153 N/A ARG 35.A N THR 31.A O no hydrogen 2.909 N/A ARG 35.A NH1 ASN 32.A OD1 no hydrogen 3.058 N/A MET 36.A N ASN 32.A O no hydrogen 3.069 N/A TRP 37.A N LEU 33.A O no hydrogen 2.939 N/A TRP 37.A NE1 ARG 43.A O no hydrogen 2.803 N/A GLN 38.A N ALA 34.A O no hydrogen 3.362 N/A ASP 39.A N ARG 35.A O no hydrogen 2.860 N/A ASP 40.A N MET 36.A O no hydrogen 2.881 N/A GLY 41.A N GLN 38.A O no hydrogen 3.001 N/A GLN 42.A N TRP 37.A O no hydrogen 3.084 N/A ARG 43.A N ASP 20.A O no hydrogen 3.014 N/A ARG 43.A NE THR 21.A OG1 no hydrogen 3.217 N/A ARG 43.A NH1 ALA 434.A O no hydrogen 2.992 N/A ARG 43.A NH2 THR 21.A OG1 no hydrogen 3.075 N/A ARG 43.A NH2 ALA 434.A O no hydrogen 3.181 N/A TYR 45.A N MET 22.A O no hydrogen 3.048 N/A SER 46.A N TYR 462.A OH no hydrogen 2.907 N/A PHE 47.A N GLY 24.A O no hydrogen 2.777 N/A ARG 48.A N GLU 455.A OE1 no hydrogen 3.008 N/A ARG 48.A N GLU 455.A OE2 no hydrogen 3.195 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.864 N/A GLN 51.A N HIS 49.A ND1 no hydrogen 3.027 N/A GLN 51.A NE2 THR 83.A OG1 no hydrogen 2.952 N/A HIS 52.A N HIS 49.A O no hydrogen 3.380 N/A ALA 53.A N HIS 49.A O no hydrogen 3.492 N/A GLY 54.A N GLU 50.A O no hydrogen 2.891 N/A TYR 55.A N GLN 51.A O no hydrogen 2.867 N/A ALA 56.A N HIS 52.A O no hydrogen 3.064 N/A ALA 57.A N ALA 53.A O no hydrogen 3.161 N/A SER 58.A N GLY 54.A O no hydrogen 2.907 N/A SER 58.A OG TYR 55.A O no hydrogen 2.565 N/A ILE 59.A N TYR 55.A O no hydrogen 3.137 N/A ALA 60.A N ALA 56.A O no hydrogen 2.954 N/A GLY 61.A N ALA 57.A O no hydrogen 3.067 N/A TYR 62.A N SER 58.A O no hydrogen 3.259 N/A ILE 63.A N ILE 59.A O no hydrogen 2.988 N/A GLU 64.A N ALA 60.A O no hydrogen 3.017 N/A GLY 65.A N GLY 61.A O no hydrogen 2.819 N/A LYS 66.A NZ ASP 18.A O no hydrogen 2.730 N/A GLY 68.A N PRO 94.A O no hydrogen 3.149 N/A CYS 70.A N ILE 96.A O no hydrogen 3.019 N/A CYS 70.A SG TYR 23.A O no hydrogen 3.819 N/A LEU 71.A N TYR 23.A O no hydrogen 2.895 N/A THR 72.A N LEU 98.A O no hydrogen 2.999 N/A THR 72.A OG1 VAL 73.A O no hydrogen 2.893 N/A THR 72.A OG1 SER 99.A OG no hydrogen 2.805 N/A SER 74.A OG GLU 115.A OE1 no hydrogen 2.687 N/A ALA 75.A N GLN 119.A OE1 no hydrogen 3.149 N/A GLY 77.A N SER 74.A O no hydrogen 2.831 N/A PHE 78.A N VAL 73.A O no hydrogen 2.953 N/A PHE 78.A N SER 74.A O no hydrogen 3.261 N/A LEU 79.A N ALA 75.A O no hydrogen 2.874 N/A ASN 80.A N PRO 76.A O no hydrogen 3.282 N/A ASN 80.A ND2 GLU 50.A OE1 no hydrogen 2.910 N/A GLY 81.A N GLY 77.A O no hydrogen 3.013 N/A VAL 82.A N PHE 78.A O no hydrogen 2.756 N/A THR 83.A OG1 ASN 80.A O no hydrogen 2.451 N/A SER 84.A N GLY 81.A O no hydrogen 2.871 N/A SER 84.A OG GLN 51.A O no hydrogen 2.625 N/A LEU 85.A N GLY 81.A O no hydrogen 3.032 N/A ALA 86.A N VAL 82.A O no hydrogen 2.983 N/A HIS 87.A N THR 83.A O no hydrogen 3.429 N/A HIS 87.A NE2 TYR 428.A OH no hydrogen 2.779 N/A ALA 88.A N SER 84.A O no hydrogen 2.718 N/A THR 89.A N LEU 85.A O no hydrogen 2.822 N/A THR 89.A OG1 LEU 85.A O no hydrogen 3.072 N/A THR 89.A OG1 HIS 126.A O no hydrogen 2.667 N/A THR 90.A N ALA 86.A O no hydrogen 3.039 N/A THR 90.A OG1 ALA 86.A O no hydrogen 2.703 N/A ASN 91.A N HIS 87.A O no hydrogen 3.130 N/A ASN 91.A N ALA 88.A O no hydrogen 3.028 N/A ASN 91.A ND2 HIS 87.A O no hydrogen 3.030 N/A CYS 92.A N THR 89.A O no hydrogen 3.290 N/A PHE 93.A N ALA 88.A O no hydrogen 3.009 N/A MET 95.A N GLY 156.A O no hydrogen 3.225 N/A ILE 96.A N GLY 68.A O no hydrogen 2.893 N/A LEU 97.A N VAL 158.A O no hydrogen 2.869 N/A LEU 98.A N CYS 70.A O no hydrogen 2.815 N/A SER 99.A N VAL 160.A O no hydrogen 3.283 N/A SER 99.A OG THR 72.A OG1 no hydrogen 2.805 N/A GLY 100.A N THR 72.A O no hydrogen 3.146 N/A SER 101.A N LEU 162.A O no hydrogen 3.142 N/A SER 101.A OG ASP 161.A OD1 no hydrogen 2.513 N/A SER 102.A OG TYR 114.A O no hydrogen 2.394 N/A SER 102.A OG GLU 115.A O no hydrogen 3.332 N/A GLU 103.A N ASP 113.A OD2 no hydrogen 2.806 N/A ARG 104.A NE ASP 108.A OD1 no hydrogen 3.002 N/A ARG 104.A NE ASP 108.A OD2 no hydrogen 3.210 N/A ARG 104.A NH2 ASP 108.A OD1 no hydrogen 3.229 N/A ILE 106.A N GLU 103.A O no hydrogen 3.065 N/A VAL 107.A N GLU 103.A O no hydrogen 3.037 N/A ASP 108.A N ARG 104.A O no hydrogen 2.899 N/A GLN 110.A N VAL 107.A O no hydrogen 2.886 N/A GLN 111.A N ILE 106.A O no hydrogen 3.124 N/A GLY 112.A N GLU 116.A OE1 no hydrogen 2.671 N/A ASP 113.A N GLU 116.A OE1 no hydrogen 2.955 N/A TYR 114.A N ASP 113.A OD1 no hydrogen 2.911 N/A GLN 119.A NE2 GLY 100.A O no hydrogen 3.051 N/A GLN 119.A NE2 TYR 159.A OH no hydrogen 2.950 N/A ASN 121.A N ASP 118.A OD1 no hydrogen 3.165 N/A ASN 121.A ND2.A ASP 118.A OD1 no hydrogen 3.301 N/A ASN 121.A ND2.A ASP 118.A OD2 no hydrogen 2.579 N/A VAL 122.A N ASP 118.A O no hydrogen 2.927 N/A ALA 123.A N GLN 119.A O no hydrogen 3.039 N/A ARG 124.A N ASN 121.A O no hydrogen 3.464 N/A ARG 124.A NE ASN 121.A OD1.A no hydrogen 2.634 N/A ARG 124.A NH2 ASN 121.A OD1.A no hydrogen 2.757 N/A HIS 126.A N ALA 123.A O no hydrogen 2.802 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.288 N/A CYS 127.A SG ALA 129.A O no hydrogen 3.064 N/A LYS 128.A N GLY 157.A O no hydrogen 2.931 N/A LYS 128.A NZ THR 149.A O no hydrogen 2.490 N/A LYS 128.A NZ ARG 154.A O no hydrogen 2.809 N/A SER 130.A OG MET 120.A O no hydrogen 2.433 N/A PHE 131.A N TYR 159.A O no hydrogen 2.749 N/A ARG 132.A NE ASP 161.A OD1 no hydrogen 3.269 N/A ILE 133.A N ASP 161.A O no hydrogen 3.213 N/A ASN 134.A ND2 ARG 132.A O no hydrogen 3.634 N/A ILE 136.A N GLN 169.A OE1 no hydrogen 2.764 N/A LYS 137.A NZ ASP 138.A OD1 no hydrogen 2.985 N/A LYS 137.A NZ ASP 138.A OD2 no hydrogen 2.950 N/A ASP 138.A N SER 135.A O no hydrogen 3.100 N/A ILE 139.A N ILE 136.A O no hydrogen 3.336 N/A GLY 142.A N ASP 138.A O no hydrogen 2.754 N/A ILE 143.A N ILE 139.A O no hydrogen 2.884 N/A ALA 144.A N PRO 140.A O no hydrogen 3.021 N/A ARG 145.A N ILE 141.A O no hydrogen 2.841 N/A ALA 146.A N GLY 142.A O no hydrogen 3.118 N/A VAL 147.A N ILE 143.A O no hydrogen 2.835 N/A ARG 148.A N ALA 144.A O no hydrogen 2.897 N/A ARG 148.A NH1 ILE 184.A O no hydrogen 3.143 N/A ARG 148.A NH1 ASP 185.A O no hydrogen 3.256 N/A ARG 148.A NH2 ILE 184.A O no hydrogen 2.873 N/A THR 149.A N ARG 145.A O no hydrogen 3.016 N/A THR 149.A OG1 ARG 145.A O no hydrogen 2.656 N/A ALA 150.A N ALA 146.A O no hydrogen 3.054 N/A VAL 151.A N VAL 147.A O no hydrogen 2.978 N/A SER 152.A N ARG 148.A O no hydrogen 2.863 N/A SER 152.A OG ARG 148.A O no hydrogen 2.439 N/A ARG 154.A NH2 GLU 305.A OE1 no hydrogen 3.036 N/A GLY 156.A N ALA 150.A O no hydrogen 2.985 N/A GLY 157.A N THR 89.A OG1 no hydrogen 3.238 N/A VAL 158.A N MET 95.A O no hydrogen 2.773 N/A TYR 159.A N ALA 129.A O no hydrogen 3.121 N/A TYR 159.A OH ASP 161.A OD2 no hydrogen 2.689 N/A VAL 160.A N LEU 97.A O no hydrogen 2.963 N/A ASP 161.A N PHE 131.A O no hydrogen 2.921 N/A LEU 162.A N SER 99.A O no hydrogen 2.932 N/A ALA 164.A N SER 101.A O no hydrogen 2.807 N/A LEU 166.A N PRO 163.A O no hydrogen 2.884 N/A PHE 167.A N ALA 164.A O no hydrogen 3.394 N/A GLN 169.A NE2 ASN 134.A O no hydrogen 3.155 N/A GLN 169.A NE2 LYS 165.A O no hydrogen 3.196 N/A ILE 171.A N THR 4.A O no hydrogen 3.240 N/A VAL 173.A N GLU 2.A O no hydrogen 3.052 N/A GLU 175.A N SER 172.A OG no hydrogen 3.015 N/A ALA 176.A N SER 172.A O no hydrogen 3.101 N/A ASN 177.A N VAL 173.A O no hydrogen 3.086 N/A ASN 177.A N GLU 174.A O no hydrogen 3.179 N/A LYS 178.A N GLU 174.A O no hydrogen 3.253 N/A LYS 178.A N GLU 175.A O no hydrogen 2.945 N/A LEU 179.A N GLU 175.A O no hydrogen 3.088 N/A LEU 180.A N ALA 176.A O no hydrogen 2.946 N/A LYS 182.A NZ ASP 18.A OD2 no hydrogen 3.430 N/A GLN 190.A N ASP 319.A OD1 no hydrogen 2.947 N/A GLN 190.A NE2 ALA 189.A O no hydrogen 2.820 N/A ALA 196.A N ALA 193.A O no hydrogen 3.140 N/A ILE 197.A N ALA 193.A O no hydrogen 3.397 N/A ALA 198.A N GLU 194.A O no hydrogen 2.921 N/A ARG 199.A N ASP 195.A O no hydrogen 3.022 N/A ALA 200.A N ALA 196.A O no hydrogen 3.331 N/A ALA 201.A N ILE 197.A O no hydrogen 2.836 N/A ASP 202.A N ALA 198.A O no hydrogen 2.908 N/A LEU 203.A N ARG 199.A O no hydrogen 3.332 N/A ILE 204.A N ALA 200.A O no hydrogen 2.995 N/A LYS 205.A N ALA 201.A O no hydrogen 2.948 N/A ASN 206.A N ASP 202.A O no hydrogen 3.241 N/A ASN 206.A ND2 ASP 202.A O no hydrogen 2.708 N/A ALA 207.A N ILE 204.A O no hydrogen 3.190 N/A LYS 208.A N ASP 268.A OD2 no hydrogen 2.757 N/A ARG 209.A N ASP 268.A OD1 no hydrogen 3.037 N/A ARG 209.A NE GLN 266.A O no hydrogen 2.897 N/A VAL 211.A N VAL 269.A O no hydrogen 2.971 N/A ILE 212.A N PRO 237.A O no hydrogen 2.927 N/A MET 213.A N VAL 271.A O no hydrogen 2.854 N/A LEU 214.A N LEU 239.A O no hydrogen 3.001 N/A GLY 215.A N ILE 273.A O no hydrogen 3.130 N/A LYS 216.A NZ ASN 91.A OD1 no hydrogen 2.890 N/A LYS 216.A NZ THR 418.A OG1 no hydrogen 2.834 N/A GLY 217.A N GLY 274.A O no hydrogen 3.130 N/A ALA 218.A N GLY 215.A O no hydrogen 3.058 N/A ALA 219.A N GLY 215.A O no hydrogen 3.372 N/A TYR 220.A N LYS 216.A O no hydrogen 2.755 N/A ALA 221.A N GLY 217.A O no hydrogen 3.209 N/A ALA 221.A N ALA 218.A O no hydrogen 3.313 N/A GLN 222.A N ALA 219.A O no hydrogen 3.174 N/A ILE 227.A N CYS 223.A O no hydrogen 3.041 N/A ARG 228.A N ASP 224.A O no hydrogen 3.025 N/A ARG 228.A NE GLU 232.A OE2 no hydrogen 2.976 N/A ALA 229.A N ASP 225.A O no hydrogen 2.991 N/A LEU 230.A N GLU 226.A O no hydrogen 3.063 N/A VAL 231.A N ILE 227.A O no hydrogen 3.097 N/A GLU 232.A N ARG 228.A O no hydrogen 2.881 N/A GLU 233.A N ALA 229.A O no hydrogen 2.853 N/A THR 234.A N LEU 230.A O no hydrogen 3.119 N/A THR 234.A OG1 LEU 230.A O no hydrogen 2.719 N/A THR 234.A OG1 VAL 231.A O no hydrogen 3.382 N/A GLY 235.A N VAL 231.A O no hydrogen 3.021 N/A PHE 238.A N GLN 254.A O no hydrogen 3.023 N/A LEU 239.A N ILE 212.A O no hydrogen 2.862 N/A MET 241.A N LEU 214.A O no hydrogen 2.775 N/A ALA 244.A N MET 241.A O no hydrogen 2.818 N/A LYS 245.A N MET 241.A O no hydrogen 3.132 N/A LYS 245.A NZ ASP 250.A OD2 no hydrogen 2.763 N/A LYS 245.A NZ ARG 402.A O no hydrogen 2.757 N/A LYS 245.A NZ VAL 405.A O no hydrogen 3.490 N/A GLY 246.A N ASP 250.A OD1 no hydrogen 2.931 N/A LEU 247.A N ALA 244.A O no hydrogen 3.023 N/A ASP 250.A N MET 407.A O no hydrogen 2.971 N/A HIS 252.A N PRO 249.A O no hydrogen 2.954 N/A HIS 252.A NE2 GLU 232.A OE2 no hydrogen 2.817 N/A GLN 254.A N HIS 252.A ND1 no hydrogen 3.204 N/A GLN 254.A NE2 VAL 231.A O no hydrogen 2.712 N/A GLN 254.A NE2 ILE 236.A O no hydrogen 3.030 N/A SER 255.A N HIS 252.A O no hydrogen 3.002 N/A ALA 256.A N PHE 238.A O no hydrogen 2.845 N/A ALA 257.A N SER 255.A OG no hydrogen 3.295 N/A THR 259.A N ALA 256.A O no hydrogen 2.925 N/A ALA 263.A N THR 259.A O no hydrogen 3.097 N/A LEU 264.A N ARG 260.A O no hydrogen 2.990 N/A ALA 265.A N ALA 261.A O no hydrogen 2.980 N/A GLN 266.A N PHE 262.A O no hydrogen 3.042 N/A CYS 267.A N ALA 263.A O no hydrogen 2.998 N/A CYS 267.A SG LEU 264.A O no hydrogen 3.417 N/A ASP 268.A N ARG 209.A O no hydrogen 3.155 N/A VAL 269.A N ASP 268.A OD1 no hydrogen 2.680 N/A CYS 270.A N LYS 295.A O no hydrogen 3.107 N/A VAL 271.A N VAL 211.A O no hydrogen 2.862 N/A LEU 272.A N VAL 297.A O no hydrogen 2.731 N/A ILE 273.A N MET 213.A O no hydrogen 2.974 N/A GLY 274.A N ILE 299.A O no hydrogen 3.114 N/A ARG 276.A NH2 THR 90.A O no hydrogen 2.831 N/A TRP 279.A NE1 THR 418.A O no hydrogen 2.825 N/A LEU 280.A N ASN 278.A OD1 no hydrogen 3.000 N/A MET 281.A N ASN 278.A O no hydrogen 3.093 N/A GLN 282.A N TRP 279.A O no hydrogen 2.930 N/A GLN 282.A NE2 TRP 279.A O no hydrogen 3.517 N/A HIS 283.A N ASN 278.A O no hydrogen 2.887 N/A HIS 283.A ND1 ASN 309.A OD1 no hydrogen 2.877 N/A GLY 284.A N MET 281.A O no hydrogen 3.338 N/A LYS 285.A N GLN 282.A O no hydrogen 3.190 N/A THR 288.A OG1 GLN 282.A OE1 no hydrogen 2.702 N/A TRP 289.A N GLY 286.A O no hydrogen 2.994 N/A TRP 289.A NE1 MET 281.A O no hydrogen 2.717 N/A GLY 290.A N LYS 287.A O no hydrogen 2.861 N/A ASP 291.A N GLY 286.A O no hydrogen 3.035 N/A LYS 294.A NZ ALA 265.A O no hydrogen 2.975 N/A LYS 294.A NZ CYS 267.A O no hydrogen 3.185 N/A LYS 294.A NZ TRP 289.A O no hydrogen 2.794 N/A LYS 294.A NZ GLU 292.A OE2 no hydrogen 2.925 N/A LYS 295.A N ASP 268.A O no hydrogen 3.000 N/A VAL 297.A N CYS 270.A O no hydrogen 2.928 N/A GLN 298.A N ALA 314.A O no hydrogen 3.236 N/A ILE 299.A N LEU 272.A O no hydrogen 2.763 N/A ASP 300.A N VAL 316.A O no hydrogen 3.044 N/A GLN 302.A N ASP 300.A OD1 no hydrogen 3.048 N/A GLN 302.A NE2 ASN 304.A OD1 no hydrogen 2.893 N/A GLU 305.A N GLN 302.A O no hydrogen 3.088 N/A MET 306.A N ALA 303.A O no hydrogen 3.207 N/A SER 308.A N GLU 305.A O no hydrogen 3.091 N/A SER 308.A OG GLU 305.A O no hydrogen 2.891 N/A SER 308.A OG GLU 305.A OE2 no hydrogen 2.831 N/A ASN 309.A ND2 SER 308.A OG no hydrogen 3.254 N/A GLN 310.A NE2 GLY 284.A O no hydrogen 2.730 N/A ILE 312.A N ASP 307.A OD1 no hydrogen 2.808 N/A ALA 314.A N TYR 296.A O no hydrogen 3.054 N/A VAL 316.A N GLN 298.A O no hydrogen 2.728 N/A GLY 318.A N ASP 300.A O no hydrogen 3.162 N/A ASP 319.A N GLN 190.A O no hydrogen 3.120 N/A SER 322.A N ASP 319.A OD2 no hydrogen 3.060 N/A SER 322.A OG ASP 319.A OD1 no hydrogen 2.567 N/A SER 322.A OG ASP 319.A OD2 no hydrogen 3.362 N/A ALA 323.A N ASP 319.A O no hydrogen 2.996 N/A VAL 324.A N ILE 320.A O no hydrogen 2.786 N/A SER 325.A N LYS 321.A O no hydrogen 3.092 N/A LEU 326.A N SER 322.A O no hydrogen 3.298 N/A LEU 327.A N ALA 323.A O no hydrogen 2.933 N/A ARG 328.A N VAL 324.A O no hydrogen 2.914 N/A ARG 328.A NE GLU 233.A OE1 no hydrogen 3.072 N/A ARG 328.A NH1 GLU 226.A OE1 no hydrogen 2.913 N/A ARG 328.A NH2 GLU 233.A OE2 no hydrogen 2.949 N/A LYS 329.A N SER 325.A O no hydrogen 3.441 N/A ALA 330.A N LEU 326.A O no hydrogen 2.881 N/A LEU 331.A N LEU 327.A O no hydrogen 3.004 N/A LEU 331.A N ARG 328.A O no hydrogen 3.219 N/A LYS 332.A N LYS 329.A O no hydrogen 3.424 N/A ALA 334.A N LEU 331.A O no hydrogen 3.030 N/A LYS 336.A NZ GLU 232.A O no hydrogen 2.848 N/A ALA 337.A N THR 234.A O no hydrogen 2.851 N/A TRP 341.A N ASP 338.A O no hydrogen 3.169 N/A TRP 341.A NE1 PRO 210.A O no hydrogen 3.082 N/A THR 342.A N ASP 338.A O no hydrogen 3.085 N/A THR 342.A OG1 ASP 338.A O no hydrogen 3.340 N/A THR 342.A OG1 ALA 339.A O no hydrogen 3.216 N/A GLY 343.A N ALA 339.A O no hydrogen 2.903 N/A ALA 344.A N GLU 340.A O no hydrogen 3.186 N/A LEU 345.A N TRP 341.A O no hydrogen 3.045 N/A LYS 346.A N THR 342.A O no hydrogen 2.934 N/A LYS 346.A NZ ASP 350.A OD1 no hydrogen 3.185 N/A ALA 347.A N GLY 343.A O no hydrogen 2.976 N/A LYS 348.A N ALA 344.A O no hydrogen 3.319 N/A VAL 349.A N LEU 345.A O no hydrogen 2.929 N/A ASP 350.A N LYS 346.A O no hydrogen 3.097 N/A GLY 351.A N ALA 347.A O no hydrogen 3.062 N/A ASN 352.A N LYS 348.A O no hydrogen 2.917 N/A ASN 352.A ND2 ALA 258.A O no hydrogen 2.608 N/A LYS 353.A N VAL 349.A O no hydrogen 2.987 N/A ALA 354.A N ASP 350.A O no hydrogen 3.029 N/A LEU 356.A N ASN 352.A O no hydrogen 3.176 N/A ALA 357.A N LYS 353.A O no hydrogen 2.948 N/A GLY 358.A N ALA 354.A O no hydrogen 3.229 N/A LYS 359.A N LEU 356.A O no hydrogen 3.202 N/A MET 360.A N LEU 356.A O no hydrogen 3.060 N/A THR 361.A N ALA 357.A O no hydrogen 3.219 N/A ALA 362.A N LYS 359.A O no hydrogen 3.289 N/A GLY 367.A N ASN 514.A O no hydrogen 2.805 N/A MET 368.A N PRO 365.A O no hydrogen 2.999 N/A MET 369.A N MET 538.A O no hydrogen 3.323 N/A ASN 370.A N ASN 373.A OD1 no hydrogen 3.073 N/A SER 372.A N ASN 370.A OD1 no hydrogen 2.639 N/A ASN 373.A N ASN 370.A OD1 no hydrogen 2.872 N/A ASN 373.A ND2 ALA 362.A O no hydrogen 3.386 N/A ASN 373.A ND2 THR 364.A OG1 no hydrogen 2.932 N/A SER 374.A N ASN 370.A O no hydrogen 3.361 N/A SER 374.A OG ASN 370.A O no hydrogen 2.650 N/A LEU 375.A N TYR 371.A O no hydrogen 3.263 N/A GLY 376.A N SER 372.A O no hydrogen 2.855 N/A VAL 377.A N SER 374.A O no hydrogen 3.163 N/A ARG 379.A N LEU 375.A O no hydrogen 2.832 N/A ARG 379.A NH1 ASP 380.A OD1 no hydrogen 3.147 N/A ASP 380.A N GLY 376.A O no hydrogen 3.191 N/A PHE 381.A N VAL 377.A O no hydrogen 3.009 N/A MET 382.A N VAL 378.A O no hydrogen 2.864 N/A LEU 383.A N ARG 379.A O no hydrogen 3.001 N/A ALA 384.A N ASP 380.A O no hydrogen 3.281 N/A ASN 385.A N PHE 381.A O no hydrogen 2.734 N/A SER 389.A N PRO 439.A O no hydrogen 3.228 N/A LEU 390.A N LYS 412.A O no hydrogen 2.879 N/A VAL 391.A N ILE 441.A O no hydrogen 2.835 N/A ASN 392.A N LEU 414.A O no hydrogen 3.106 N/A ASN 392.A ND2 ALA 397.A O no hydrogen 3.035 N/A ASN 392.A ND2 VAL 443.A O no hydrogen 2.727 N/A GLU 393.A N VAL 443.A O no hydrogen 3.497 N/A ASN 396.A ND2 VAL 545.A O no hydrogen 2.893 N/A LEU 398.A N ALA 395.A O no hydrogen 3.242 N/A ASP 399.A N ALA 395.A O no hydrogen 3.054 N/A ASN 400.A N ASN 396.A O no hydrogen 3.081 N/A ASN 400.A ND2 ASN 396.A O no hydrogen 2.735 N/A THR 401.A OG1 ALA 397.A O no hydrogen 2.590 N/A ARG 402.A N LEU 398.A O no hydrogen 2.941 N/A ARG 402.A NH2 ASP 399.A OD1 no hydrogen 3.099 N/A MET 403.A N ASP 399.A O no hydrogen 3.292 N/A ILE 404.A N ASN 400.A O no hydrogen 2.950 N/A VAL 405.A N THR 401.A O no hydrogen 2.849 N/A MET 407.A N ASP 250.A OD2 no hydrogen 2.809 N/A ARG 411.A NH1 ALA 219.A O no hydrogen 2.902 N/A ARG 411.A NH1 ASP 224.A OD1 no hydrogen 3.101 N/A ARG 411.A NH1 ASP 224.A OD2 no hydrogen 3.515 N/A ARG 411.A NH2 ASP 224.A OD2 no hydrogen 2.984 N/A LYS 412.A NZ ASP 387.A OD1 no hydrogen 2.916 N/A ARG 413.A NE GLY 242.A O no hydrogen 3.254 N/A ARG 413.A NE ASP 415.A OD2 no hydrogen 3.284 N/A ARG 413.A NH1 ASN 392.A OD1 no hydrogen 2.965 N/A ARG 413.A NH2 ASN 392.A OD1 no hydrogen 3.042 N/A ARG 413.A NH2 ASP 415.A OD2 no hydrogen 3.252 N/A LEU 414.A N LEU 390.A O no hydrogen 2.885 N/A SER 416.A OG VAL 421.A O no hydrogen 3.014 N/A GLY 417.A N ASP 415.A OD1 no hydrogen 3.046 N/A THR 418.A N ASN 91.A OD1 no hydrogen 2.914 N/A THR 418.A OG1 ASN 91.A OD1 no hydrogen 3.316 N/A GLY 420.A N GLY 417.A O no hydrogen 2.996 N/A VAL 421.A N SER 416.A O no hydrogen 3.195 N/A GLY 423.A N GLU 393.A OE1 no hydrogen 2.816 N/A ILE 424.A N GLU 393.A OE1 no hydrogen 3.260 N/A MET 426.A N SER 452.A OG no hydrogen 3.156 N/A TYR 428.A N ILE 424.A O no hydrogen 3.016 N/A TYR 428.A OH HIS 87.A NE2 no hydrogen 2.779 N/A CYS 429.A N GLY 425.A O no hydrogen 3.153 N/A CYS 429.A SG GLY 425.A O no hydrogen 3.407 N/A VAL 430.A N MET 426.A O no hydrogen 3.086 N/A ALA 431.A N GLY 427.A O no hydrogen 2.980 N/A ALA 432.A N TYR 428.A O no hydrogen 2.809 N/A ALA 433.A N CYS 429.A O no hydrogen 2.854 N/A ALA 434.A N VAL 430.A O no hydrogen 2.864 N/A VAL 435.A N ALA 431.A O no hydrogen 2.849 N/A THR 436.A N ALA 432.A O no hydrogen 2.976 N/A THR 436.A OG1 ALA 432.A O no hydrogen 2.438 N/A GLY 437.A N ALA 433.A O no hydrogen 3.122 N/A LYS 438.A NZ ASP 387.A OD1 no hydrogen 3.543 N/A LYS 438.A NZ ASP 387.A OD2 no hydrogen 2.650 N/A VAL 440.A N PRO 465.A O no hydrogen 2.969 N/A ILE 441.A N SER 389.A O no hydrogen 2.831 N/A ALA 442.A N THR 467.A O no hydrogen 2.879 N/A VAL 443.A N VAL 391.A O no hydrogen 2.918 N/A GLU 444.A N ILE 469.A O no hydrogen 2.825 N/A GLY 445.A N GLU 393.A O no hydrogen 3.002 N/A PHE 449.A N GLY 445.A O no hydrogen 2.814 N/A GLY 450.A N ASP 446.A O no hydrogen 3.227 N/A GLY 450.A N SER 447.A O no hydrogen 2.974 N/A PHE 451.A N ALA 448.A O no hydrogen 3.217 N/A SER 452.A N PHE 449.A O no hydrogen 3.233 N/A GLU 455.A N SER 452.A O no hydrogen 3.074 N/A LEU 456.A N GLY 453.A O no hydrogen 2.974 N/A GLU 457.A N MET 454.A O no hydrogen 3.361 N/A THR 458.A OG1 GLU 455.A OE1 no hydrogen 2.849 N/A ILE 459.A N GLU 455.A O no hydrogen 3.019 N/A CYS 460.A N LEU 456.A O no hydrogen 2.907 N/A CYS 460.A SG LEU 456.A O no hydrogen 3.423 N/A ARG 461.A N GLU 457.A O no hydrogen 2.761 N/A ARG 461.A NE GLU 457.A OE1 no hydrogen 3.207 N/A ARG 461.A NE GLU 457.A OE2 no hydrogen 3.006 N/A ARG 461.A NH1 SER 46.A O no hydrogen 3.151 N/A ARG 461.A NH2 SER 46.A O no hydrogen 3.317 N/A ARG 461.A NH2 GLU 457.A OE1 no hydrogen 2.929 N/A TYR 462.A N THR 458.A O no hydrogen 3.227 N/A ASN 463.A N CYS 460.A O no hydrogen 2.914 N/A LEU 464.A N ILE 459.A O no hydrogen 3.197 N/A VAL 466.A N LEU 464.A O no hydrogen 2.733 N/A THR 467.A N VAL 440.A O no hydrogen 2.839 N/A VAL 468.A N CYS 533.A O no hydrogen 2.981 N/A ILE 469.A N ALA 442.A O no hydrogen 2.723 N/A ILE 470.A N ILE 535.A O no hydrogen 2.894 N/A MET 471.A N GLU 444.A O no hydrogen 2.809 N/A ASN 472.A N ALA 537.A O no hydrogen 2.916 N/A ASN 472.A ND2 GLY 497.A O no hydrogen 3.032 N/A ASN 472.A ND2 ASN 536.A OD1 no hydrogen 2.762 N/A ASN 473.A ND2 TYR 477.A O no hydrogen 3.113 N/A GLY 474.A N ASP 446.A OD2 no hydrogen 3.181 N/A GLY 475.A N ASP 446.A OD2 no hydrogen 3.203 N/A ILE 476.A N THR 492.A O no hydrogen 2.832 N/A LYS 478.A NZ ASP 542.A O no hydrogen 3.069 N/A LYS 478.A NZ GLY 544.A O no hydrogen 2.569 N/A GLY 479.A N PRO 541.A O no hydrogen 3.058 N/A ASN 480.A ND2 ASP 542.A OD1 no hydrogen 2.743 N/A GLN 485.A NE2 PRO 484.A O no hydrogen 2.863 N/A VAL 488.A N GLN 485.A O no hydrogen 3.117 N/A THR 492.A OG1 GLU 481.A OE1 no hydrogen 2.626 N/A ARG 493.A N SER 490.A O no hydrogen 3.310 N/A LEU 494.A N GLY 474.A O no hydrogen 3.115 N/A ARG 496.A NE ASN 472.A O no hydrogen 3.237 N/A ARG 496.A NH2 GLY 367.A O no hydrogen 3.306 N/A ARG 496.A NH2 ASN 472.A O no hydrogen 3.513 N/A ARG 496.A NH2 ILE 539.A O no hydrogen 2.695 N/A ARG 498.A NE ASP 500.A OD1 no hydrogen 3.236 N/A ARG 498.A NE ASP 500.A OD2 no hydrogen 3.324 N/A ARG 498.A NH2 ASP 500.A OD2 no hydrogen 3.232 N/A MET 501.A N ARG 498.A O no hydrogen 2.908 N/A MET 502.A N ARG 498.A O no hydrogen 3.327 N/A MET 503.A N TYR 499.A O no hydrogen 3.087 N/A GLU 504.A N ASP 500.A O no hydrogen 3.037 N/A ALA 505.A N MET 501.A O no hydrogen 2.865 N/A PHE 506.A N MET 503.A O no hydrogen 3.192 N/A GLY 507.A N GLU 504.A O no hydrogen 3.151 N/A GLY 508.A N MET 503.A O no hydrogen 2.946 N/A LYS 509.A N PRO 532.A O no hydrogen 2.996 N/A TYR 511.A N LEU 534.A O no hydrogen 2.933 N/A ALA 513.A N ASN 536.A O no hydrogen 2.973 N/A ASN 514.A N GLU 518.A OE1 no hydrogen 2.770 N/A GLU 518.A N THR 515.A OG1 no hydrogen 2.997 N/A LEU 519.A N THR 515.A O no hydrogen 2.975 N/A LYS 520.A N PRO 516.A O no hydrogen 3.011 N/A ALA 521.A N ALA 517.A O no hydrogen 3.299 N/A ALA 522.A N GLU 518.A O no hydrogen 3.114 N/A LEU 523.A N LEU 519.A O no hydrogen 2.906 N/A GLU 524.A N LYS 520.A O no hydrogen 2.967 N/A GLU 525.A N ALA 521.A O no hydrogen 2.879 N/A ALA 526.A N ALA 522.A O no hydrogen 2.751 N/A VAL 527.A N LEU 523.A O no hydrogen 3.001 N/A ALA 528.A N GLU 524.A O no hydrogen 3.230 N/A SER 529.A N GLU 525.A O no hydrogen 2.930 N/A SER 529.A OG ALA 526.A O no hydrogen 2.564 N/A GLY 530.A N VAL 527.A O no hydrogen 3.314 N/A LYS 531.A N SER 529.A OG no hydrogen 3.292 N/A CYS 533.A N VAL 466.A O no hydrogen 2.849 N/A CYS 533.A SG ALA 526.A O no hydrogen 3.846 N/A CYS 533.A SG SER 529.A OG no hydrogen 3.646 N/A CYS 533.A SG LYS 531.A O no hydrogen 3.385 N/A LEU 534.A N LYS 509.A O no hydrogen 2.939 N/A ILE 535.A N VAL 468.A O no hydrogen 2.607 N/A ASN 536.A N TYR 511.A O no hydrogen 2.717 N/A ASN 536.A ND2 GLY 497.A O no hydrogen 3.031 N/A ASN 536.A ND2 ASP 500.A OD1 no hydrogen 3.352 N/A ALA 537.A N ILE 470.A O no hydrogen 2.943 N/A MET 538.A N ALA 513.A O no hydrogen 2.886 N/A ILE 539.A N ASN 472.A O no hydrogen 3.078 N/A ASP 540.A N MET 369.A O no hydrogen 2.650 N/A ASP 542.A N ASP 540.A OD1 no hydrogen 2.929 N/A ALA 543.A N ASP 540.A O no hydrogen 3.069 N/A VAL 545.A N ASN 396.A OD1 no hydrogen 2.821 N/A SER 547.A OG TYR 477.A OH no hydrogen 3.101 N/A GLY 548.A N VAL 545.A O no hydrogen 3.310 N/A ARG 549.A N ASP 399.A OD2 no hydrogen 2.532 N/A ASN 554.A N LYS 551.A O no hydrogen 3.324 N/A ASN 554.A ND2 SER 547.A OG no hydrogen 2.667 N/A ASN 554.A ND2 LYS 551.A O no hydrogen 3.482 N/A