Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE PHE 4.A O no hydrogen 2.785 N/A ARG 2.A NH1 ASP 279.A OD2 no hydrogen 3.143 N/A ARG 2.A NH1 SER 345.A O no hydrogen 3.107 N/A ARG 2.A NH2 SER 345.A O no hydrogen 3.094 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.669 N/A LYS 8.A N SER 5.A O no hydrogen 3.171 N/A LYS 8.A N SER 5.A OG no hydrogen 3.208 N/A THR 9.A N LEU 6.A O no hydrogen 3.156 N/A THR 9.A OG1 SER 5.A O no hydrogen 2.762 N/A ARG 10.A N ARG 50.A O no hydrogen 2.732 N/A ARG 10.A NE VAL 248.A O no hydrogen 3.291 N/A ARG 10.A NE ILE 249.A O no hydrogen 3.362 N/A ARG 10.A NH1 GLU 7.A O no hydrogen 2.964 N/A ARG 10.A NH1 THR 9.A O no hydrogen 3.171 N/A ARG 10.A NH2 ILE 249.A O no hydrogen 2.767 N/A ASN 11.A ND2 ASN 52.A OD1 no hydrogen 2.984 N/A ASN 11.A ND2 GLY 346.A O no hydrogen 3.651 N/A ILE 12.A N ASN 52.A O no hydrogen 2.939 N/A GLY 13.A N GLY 75.A O no hydrogen 3.139 N/A MET 15.A N VAL 77.A O no hydrogen 2.866 N/A ALA 20.A N HIS 17.A O no hydrogen 3.090 N/A GLY 21.A N ILE 18.A O no hydrogen 3.388 N/A LYS 22.A NZ THR 56.A O no hydrogen 3.022 N/A LYS 22.A NZ THR 56.A OG1 no hydrogen 2.761 N/A THR 25.A N GLY 21.A O no hydrogen 3.127 N/A THR 25.A OG1 GLY 21.A O no hydrogen 2.815 N/A THR 26.A N LYS 22.A O no hydrogen 2.957 N/A THR 26.A OG1 LYS 22.A O no hydrogen 2.655 N/A GLU 27.A N THR 23.A O no hydrogen 2.785 N/A ARG 28.A N THR 24.A O no hydrogen 2.920 N/A ARG 28.A NE GLU 27.A OE1 no hydrogen 3.060 N/A ARG 28.A NE GLU 27.A OE2 no hydrogen 3.407 N/A ARG 28.A NH1 ASN 238.A OD1 no hydrogen 3.007 N/A ARG 28.A NH2 GLU 27.A OE2 no hydrogen 2.742 N/A ILE 29.A N THR 25.A O no hydrogen 3.004 N/A LEU 30.A N THR 26.A O no hydrogen 3.064 N/A TYR 31.A N GLU 27.A O no hydrogen 2.959 N/A TYR 32.A N ARG 28.A O no hydrogen 2.987 N/A TYR 32.A OH ASN 238.A OD1 no hydrogen 2.762 N/A THR 33.A N ILE 29.A O no hydrogen 3.085 N/A THR 33.A OG1 ILE 29.A O no hydrogen 2.727 N/A GLY 34.A N TYR 31.A O no hydrogen 3.326 N/A SER 39.A OG ALA 41.A O no hydrogen 2.891 N/A THR 42.A N ILE 53.A O no hydrogen 2.916 N/A THR 43.A N MET 332.A O no hydrogen 2.879 N/A ALA 44.A N VAL 51.A O no hydrogen 2.795 N/A ALA 45.A N THR 33.A O no hydrogen 3.118 N/A TRP 46.A N HIS 49.A O no hydrogen 3.043 N/A TRP 46.A NE1 ASP 246.A OD2 no hydrogen 3.038 N/A HIS 49.A N TRP 46.A O no hydrogen 2.945 N/A HIS 49.A ND1 GLU 47.A O no hydrogen 2.980 N/A ARG 50.A N LYS 8.A O no hydrogen 2.877 N/A ARG 50.A NH1 ALA 44.A O no hydrogen 2.948 N/A VAL 51.A N ALA 44.A O no hydrogen 2.964 N/A ASN 52.A N ARG 10.A O no hydrogen 2.948 N/A ILE 53.A N THR 42.A O no hydrogen 2.845 N/A ILE 54.A N ILE 12.A O no hydrogen 2.953 N/A ASP 55.A N ALA 40.A O no hydrogen 3.008 N/A THR 56.A OG1 ILE 14.A O no hydrogen 3.007 N/A HIS 59.A ND1 THR 63.A OG1 no hydrogen 2.997 N/A THR 63.A OG1 HIS 59.A ND1 no hydrogen 2.997 N/A VAL 66.A N THR 63.A O no hydrogen 2.910 N/A VAL 66.A N THR 63.A OG1 no hydrogen 3.235 N/A GLU 67.A N THR 63.A O no hydrogen 3.191 N/A ARG 68.A N VAL 64.A O no hydrogen 2.980 N/A ARG 68.A NE GLU 373.A OE1 no hydrogen 2.828 N/A ARG 68.A NE GLU 373.A OE2 no hydrogen 3.510 N/A ARG 68.A NH2 GLU 373.A OE2 no hydrogen 3.024 N/A SER 69.A N GLU 65.A O no hydrogen 3.131 N/A SER 69.A OG VAL 66.A O no hydrogen 2.877 N/A LEU 70.A N VAL 66.A O no hydrogen 3.205 N/A ARG 71.A N GLU 67.A O no hydrogen 3.287 N/A ARG 71.A N ARG 68.A O no hydrogen 3.124 N/A ARG 71.A NH1 LEU 372.A O no hydrogen 2.792 N/A ARG 71.A NH2 LEU 372.A O no hydrogen 2.878 N/A VAL 72.A N SER 69.A O no hydrogen 3.209 N/A LEU 73.A N SER 69.A O no hydrogen 3.157 N/A ASP 74.A N ASN 11.A O no hydrogen 3.025 N/A GLY 75.A N ASN 11.A O no hydrogen 3.109 N/A ALA 76.A N PRO 103.A O no hydrogen 2.925 N/A VAL 77.A N GLY 13.A O no hydrogen 3.052 N/A THR 78.A N ILE 105.A O no hydrogen 2.942 N/A VAL 79.A N MET 15.A O no hydrogen 2.852 N/A LEU 80.A N PHE 107.A O no hydrogen 3.041 N/A ALA 82.A N ASN 109.A O no hydrogen 2.873 N/A GLN 83.A N ASP 81.A OD1 no hydrogen 3.224 N/A SER 84.A N ASP 81.A O no hydrogen 3.248 N/A GLY 85.A N ASP 81.A O no hydrogen 2.968 N/A VAL 86.A N THR 124.A OG1 no hydrogen 2.858 N/A GLU 87.A N THR 90.A OG1 no hydrogen 3.350 N/A GLN 89.A N GLN 89.A OE1 no hydrogen 2.809 N/A GLU 91.A N GLU 87.A O no hydrogen 2.975 N/A THR 92.A N PRO 88.A O no hydrogen 3.035 N/A THR 92.A OG1 GLN 89.A O no hydrogen 3.234 N/A VAL 93.A N GLN 89.A O no hydrogen 3.494 N/A TRP 94.A N THR 90.A O no hydrogen 3.005 N/A ARG 95.A N GLU 91.A O no hydrogen 3.076 N/A ARG 95.A NE GLU 91.A OE1 no hydrogen 3.128 N/A ARG 95.A NH1 GLU 581.A OE2 no hydrogen 3.221 N/A ARG 95.A NH2 GLU 91.A OE1 no hydrogen 3.090 N/A ARG 95.A NH2 ASN 609.A OD1 no hydrogen 2.795 N/A GLN 96.A N THR 92.A O no hydrogen 3.155 N/A GLN 96.A NE2 THR 638.A OG1 no hydrogen 2.833 N/A ALA 97.A N VAL 93.A O no hydrogen 2.908 N/A THR 98.A N TRP 94.A O no hydrogen 3.027 N/A THR 98.A OG1 TRP 94.A O no hydrogen 3.320 N/A THR 99.A N ARG 95.A O no hydrogen 3.103 N/A THR 99.A OG1 ARG 95.A O no hydrogen 3.292 N/A TYR 100.A N GLN 96.A O no hydrogen 3.232 N/A TYR 100.A OH GLU 67.A OE2 no hydrogen 2.703 N/A GLY 101.A N THR 98.A O no hydrogen 3.085 N/A VAL 102.A N ALA 97.A O no hydrogen 3.072 N/A ARG 104.A NE VAL 102.A O no hydrogen 2.647 N/A ARG 104.A NH1 THR 98.A OG1 no hydrogen 3.294 N/A ARG 104.A NH2 THR 98.A OG1 no hydrogen 3.168 N/A ARG 104.A NH2 VAL 102.A O no hydrogen 2.864 N/A ILE 105.A N ALA 76.A O no hydrogen 3.322 N/A VAL 106.A N PRO 229.A O no hydrogen 2.956 N/A PHE 107.A N THR 78.A O no hydrogen 2.828 N/A VAL 108.A N LEU 231.A O no hydrogen 2.925 N/A ASN 109.A N LEU 80.A O no hydrogen 2.737 N/A ASN 109.A ND2 ALA 20.A O no hydrogen 3.037 N/A MET 111.A N GLY 233.A O no hydrogen 3.139 N/A LYS 113.A N LYS 110.A O no hydrogen 3.054 N/A LYS 113.A NZ ASP 81.A OD1 no hydrogen 3.196 N/A LYS 113.A NZ ASP 81.A OD2 no hydrogen 2.680 N/A GLY 115.A N GLU 143.A OE2 no hydrogen 2.794 N/A ALA 116.A N LYS 113.A O no hydrogen 3.045 N/A ASN 117.A N ALA 82.A O no hydrogen 3.137 N/A TYR 120.A N ASN 117.A OD1 no hydrogen 2.967 N/A SER 121.A N ASN 117.A O no hydrogen 3.019 N/A SER 121.A OG ALA 82.A O no hydrogen 2.873 N/A SER 121.A OG ASN 117.A O no hydrogen 3.496 N/A VAL 122.A N PHE 118.A O no hydrogen 3.000 N/A SER 123.A N GLU 119.A O no hydrogen 2.997 N/A SER 123.A OG TYR 120.A O no hydrogen 2.707 N/A THR 124.A N TYR 120.A O no hydrogen 3.147 N/A THR 124.A OG1 SER 121.A O no hydrogen 2.666 N/A HIS 126.A N VAL 122.A O no hydrogen 3.491 N/A HIS 126.A NE2 ALA 133.A O no hydrogen 2.906 N/A ASP 127.A N SER 123.A O no hydrogen 2.785 N/A ARG 128.A N THR 124.A O no hydrogen 2.914 N/A ARG 128.A NE ASP 127.A OD2 no hydrogen 2.988 N/A ARG 128.A NH2 ASP 127.A OD2 no hydrogen 3.179 N/A LEU 129.A N LEU 125.A O no hydrogen 3.331 N/A GLN 130.A N HIS 126.A O no hydrogen 3.045 N/A ALA 131.A N LEU 125.A O no hydrogen 3.316 N/A ALA 133.A N ALA 131.A O no hydrogen 2.880 N/A ALA 134.A N TYR 228.A O no hydrogen 3.238 N/A ILE 136.A N VAL 230.A O no hydrogen 2.839 N/A LEU 138.A N ILE 150.A O no hydrogen 2.998 N/A ILE 140.A N ALA 148.A O no hydrogen 2.806 N/A GLU 143.A N MET 111.A O no hydrogen 2.999 N/A ASP 144.A N ASP 144.A OD2 no hydrogen 2.550 N/A GLU 145.A N ALA 142.A O no hydrogen 3.034 N/A PHE 146.A N GLU 143.A O no hydrogen 3.169 N/A GLU 147.A N ILE 140.A O no hydrogen 2.961 N/A ILE 149.A N PHE 158.A O no hydrogen 3.074 N/A ILE 150.A N LEU 138.A O no hydrogen 2.836 N/A ASP 151.A N LYS 156.A O no hydrogen 2.938 N/A LEU 152.A N ILE 136.A O no hydrogen 2.968 N/A VAL 153.A N ASP 151.A OD1 no hydrogen 2.920 N/A GLU 154.A N ASP 151.A OD1 no hydrogen 3.132 N/A LYS 156.A N ASP 151.A O no hydrogen 3.168 N/A CYS 157.A SG ILE 149.A O no hydrogen 4.039 N/A PHE 158.A N ILE 149.A O no hydrogen 3.009 N/A LYS 159.A N GLU 169.A O no hydrogen 2.820 N/A LYS 159.A NZ GLU 169.A OE1 no hydrogen 3.518 N/A TYR 160.A N GLU 147.A O no hydrogen 3.031 N/A THR 161.A OG1 GLU 167.A O no hydrogen 2.773 N/A ASN 162.A ND2 THR 166.A O no hydrogen 3.398 N/A ASN 162.A ND2 THR 166.A OG1 no hydrogen 3.197 N/A LEU 164.A N ASN 162.A OD1 no hydrogen 2.829 N/A GLY 165.A N ASN 162.A OD1 no hydrogen 3.212 N/A GLU 169.A N LYS 159.A O no hydrogen 2.961 N/A ILE 171.A N CYS 157.A O no hydrogen 2.813 N/A HIS 177.A N PRO 174.A O no hydrogen 2.888 N/A LEU 178.A N GLU 175.A O no hydrogen 3.324 N/A ARG 180.A NH1 PRO 139.A O no hydrogen 3.005 N/A ARG 180.A NH1 HIS 177.A ND1 no hydrogen 3.042 N/A ARG 180.A NH2 PRO 139.A O no hydrogen 2.987 N/A ALA 181.A N HIS 177.A O no hydrogen 2.914 N/A GLU 182.A N LEU 178.A O no hydrogen 2.802 N/A GLU 183.A N ASP 179.A O no hydrogen 2.892 N/A ALA 184.A N ARG 180.A O no hydrogen 2.970 N/A ARG 185.A N ALA 181.A O no hydrogen 2.947 N/A ARG 185.A NE LEU 152.A O no hydrogen 2.852 N/A ARG 185.A NH1 ILE 209.A O no hydrogen 3.565 N/A ARG 185.A NH2 VAL 153.A O no hydrogen 2.850 N/A ALA 186.A N GLU 182.A O no hydrogen 3.097 N/A SER 187.A N GLU 183.A O no hydrogen 3.069 N/A SER 187.A OG GLU 183.A O no hydrogen 3.272 N/A LEU 188.A N ALA 184.A O no hydrogen 2.887 N/A ILE 189.A N ARG 185.A O no hydrogen 2.960 N/A GLU 190.A N ALA 186.A O no hydrogen 3.004 N/A ALA 191.A N SER 187.A O no hydrogen 3.104 N/A VAL 192.A N LEU 188.A O no hydrogen 3.119 N/A ALA 193.A N ILE 189.A O no hydrogen 2.747 N/A GLU 194.A N GLU 190.A O no hydrogen 3.156 N/A THR 195.A N VAL 192.A O no hydrogen 3.017 N/A THR 195.A OG1 VAL 192.A O no hydrogen 3.027 N/A SER 196.A N ALA 193.A O no hydrogen 2.947 N/A LEU 199.A N SER 196.A OG no hydrogen 3.229 N/A MET 200.A N SER 196.A O no hydrogen 3.042 N/A GLU 201.A N ASP 197.A O no hydrogen 2.941 N/A LYS 202.A N GLU 198.A O no hydrogen 3.265 N/A LYS 202.A NZ GLU 208.A O no hydrogen 3.064 N/A LYS 202.A NZ GLU 213.A OE1 no hydrogen 3.253 N/A LYS 202.A NZ GLU 213.A OE2 no hydrogen 3.400 N/A TYR 203.A N LEU 199.A O no hydrogen 2.856 N/A TYR 203.A OH GLU 190.A OE2 no hydrogen 3.288 N/A LEU 204.A N MET 200.A O no hydrogen 3.094 N/A GLY 205.A N GLU 201.A O no hydrogen 2.951 N/A ASP 206.A N TYR 203.A O no hydrogen 3.029 N/A GLU 207.A N LYS 202.A O no hydrogen 3.173 N/A SER 210.A N GLU 213.A OE1 no hydrogen 3.055 N/A SER 210.A OG SER 212.A OG no hydrogen 3.380 N/A SER 212.A OG SER 210.A OG no hydrogen 3.380 N/A GLU 213.A N SER 210.A OG no hydrogen 3.080 N/A LEU 214.A N SER 210.A O no hydrogen 3.018 N/A LYS 215.A N VAL 211.A O no hydrogen 3.021 N/A LYS 215.A NZ ASP 250.A OD2 no hydrogen 3.554 N/A GLU 216.A N SER 212.A O no hydrogen 3.148 N/A ALA 217.A N GLU 213.A O no hydrogen 3.154 N/A ILE 218.A N LEU 214.A O no hydrogen 2.981 N/A ARG 219.A N LYS 215.A O no hydrogen 2.918 N/A ARG 219.A NH1 ASP 250.A O no hydrogen 2.835 N/A ARG 219.A NH1 LEU 252.A O no hydrogen 3.033 N/A ARG 219.A NH2 LEU 252.A O no hydrogen 2.964 N/A ARG 219.A NH2 ASP 257.A OD2 no hydrogen 2.953 N/A GLN 220.A N GLU 216.A O no hydrogen 2.990 N/A ALA 221.A N ALA 217.A O no hydrogen 3.007 N/A THR 222.A N ILE 218.A O no hydrogen 2.773 N/A THR 222.A OG1 ILE 218.A O no hydrogen 2.787 N/A THR 223.A N ARG 219.A O no hydrogen 2.917 N/A THR 223.A OG1 ARG 219.A O no hydrogen 3.051 N/A THR 223.A OG1 GLN 220.A O no hydrogen 3.507 N/A ASN 224.A N GLN 220.A O no hydrogen 3.123 N/A VAL 225.A N THR 222.A O no hydrogen 3.039 N/A GLU 226.A N ALA 221.A O no hydrogen 3.015 N/A TYR 228.A N ASN 132.A O no hydrogen 2.952 N/A VAL 230.A N ALA 134.A O no hydrogen 2.921 N/A LEU 231.A N VAL 106.A O no hydrogen 2.792 N/A CYS 232.A N GLN 137.A OE1 no hydrogen 2.898 N/A CYS 232.A SG GLN 137.A OE1 no hydrogen 3.846 N/A GLY 233.A N VAL 108.A O no hydrogen 3.005 N/A THR 234.A N LYS 239.A O no hydrogen 2.882 N/A THR 234.A OG1 ASP 112.A OD1 no hydrogen 3.270 N/A ALA 235.A N ASN 109.A OD1 no hydrogen 2.889 N/A ASN 238.A N ALA 235.A O no hydrogen 3.113 N/A ASN 238.A ND2 ASP 163.A O no hydrogen 3.092 N/A LYS 239.A N THR 234.A O no hydrogen 2.987 N/A LYS 239.A NZ ASN 162.A O no hydrogen 3.261 N/A LYS 239.A NZ ASP 163.A OD1 no hydrogen 2.762 N/A LYS 239.A NZ LYS 237.A O no hydrogen 3.150 N/A GLN 242.A NE2 GLY 165.A O no hydrogen 3.194 N/A MET 244.A N GLY 240.A O no hydrogen 2.917 N/A LEU 245.A N VAL 241.A O no hydrogen 3.036 N/A ASP 246.A N GLN 242.A O no hydrogen 3.064 N/A ALA 247.A N LEU 243.A O no hydrogen 3.218 N/A VAL 248.A N MET 244.A O no hydrogen 3.038 N/A ILE 249.A N LEU 245.A O no hydrogen 3.247 N/A ASP 250.A N ASP 246.A O no hydrogen 2.821 N/A TYR 251.A N ALA 247.A O no hydrogen 2.802 N/A LEU 252.A N VAL 248.A O no hydrogen 3.087 N/A SER 254.A N ASP 257.A OD2 no hydrogen 2.934 N/A SER 254.A OG ASP 257.A OD2 no hydrogen 3.234 N/A LEU 256.A N SER 254.A OG no hydrogen 3.135 N/A ASP 257.A N SER 254.A O no hydrogen 3.003 N/A GLY 263.A N VAL 273.A O no hydrogen 2.952 N/A HIS 264.A N ILE 371.A O no hydrogen 2.945 N/A ARG 265.A N GLU 271.A O no hydrogen 3.340 N/A ARG 265.A NH1 ASP 369.A OD1 no hydrogen 3.406 N/A ALA 266.A N ASP 369.A O no hydrogen 2.794 N/A SER 267.A N ASP 369.A OD2 no hydrogen 2.974 N/A SER 267.A OG ASP 369.A OD2 no hydrogen 3.061 N/A ASN 268.A N ARG 265.A O no hydrogen 3.020 N/A GLU 270.A N ASN 268.A OD1 no hydrogen 3.020 N/A GLU 271.A N ASN 268.A O no hydrogen 2.922 N/A VAL 273.A N GLY 263.A O no hydrogen 3.225 N/A ALA 275.A N ILE 261.A O no hydrogen 2.969 N/A ASP 278.A N SER 345.A OG no hydrogen 3.400 N/A SER 280.A N ASP 278.A OD1 no hydrogen 3.035 N/A ALA 281.A N ASP 278.A O no hydrogen 2.983 N/A ALA 284.A N SER 306.A O no hydrogen 3.165 N/A ALA 285.A N LEU 363.A O no hydrogen 2.844 N/A LEU 286.A N ARG 303.A O no hydrogen 2.856 N/A ALA 287.A N ASP 361.A O no hydrogen 2.938 N/A PHE 288.A N PHE 301.A O no hydrogen 2.883 N/A MET 291.A N LEU 299.A O no hydrogen 3.052 N/A ASP 293.A N GLY 297.A O no hydrogen 2.789 N/A TYR 295.A N ASP 293.A OD2 no hydrogen 2.775 N/A VAL 296.A N ASP 293.A OD2 no hydrogen 2.934 N/A GLY 297.A N ASP 293.A O no hydrogen 2.998 N/A LYS 298.A NZ THR 357.A O no hydrogen 3.171 N/A LEU 299.A N MET 291.A O no hydrogen 2.931 N/A THR 300.A N ALA 351.A O no hydrogen 2.908 N/A THR 300.A OG1 THR 357.A O no hydrogen 3.330 N/A PHE 301.A N LYS 289.A O no hydrogen 2.964 N/A PHE 302.A N ALA 349.A O no hydrogen 2.966 N/A ARG 303.A N LEU 286.A O no hydrogen 2.949 N/A ARG 303.A NE VAL 304.A O no hydrogen 3.268 N/A ARG 303.A NH1 VAL 72.A O no hydrogen 2.878 N/A ARG 303.A NH1 ASP 74.A OD1 no hydrogen 2.918 N/A VAL 304.A N ASP 347.A O no hydrogen 3.004 N/A TYR 305.A N ALA 284.A O no hydrogen 2.953 N/A TYR 305.A OH ARG 71.A O no hydrogen 2.709 N/A SER 306.A N ALA 284.A O no hydrogen 3.382 N/A SER 306.A OG GLU 282.A O no hydrogen 2.645 N/A GLY 307.A N ASP 278.A O no hydrogen 2.940 N/A MET 309.A N VAL 343.A O no hydrogen 3.038 N/A SER 311.A N ASP 341.A O no hydrogen 2.850 N/A GLY 312.A N VAL 326.A O no hydrogen 2.431 N/A SER 313.A OG THR 310.A O no hydrogen 2.621 N/A VAL 315.A N GLU 324.A O no hydrogen 2.895 N/A LYS 316.A N CYS 364.A O no hydrogen 2.867 N/A LYS 316.A NZ GLU 366.A O no hydrogen 3.388 N/A LYS 316.A NZ ASN 368.A O no hydrogen 2.986 N/A ASN 317.A N LYS 322.A O no hydrogen 2.774 N/A ASN 317.A ND2 THR 357.A OG1 no hydrogen 3.173 N/A ASN 317.A ND2 ASP 361.A OD2 no hydrogen 3.081 N/A SER 318.A N THR 362.A O no hydrogen 3.153 N/A SER 318.A OG ILE 370.A O no hydrogen 2.636 N/A LYS 320.A N ASN 317.A OD1 no hydrogen 2.884 N/A LYS 320.A NZ ASP 356.A O no hydrogen 3.306 N/A LYS 320.A NZ ASP 361.A OD1 no hydrogen 3.514 N/A LYS 320.A NZ ASP 361.A OD2 no hydrogen 2.673 N/A GLY 321.A N ASN 317.A O no hydrogen 2.790 N/A LYS 322.A N ASN 317.A O no hydrogen 3.242 N/A LYS 322.A NZ ASP 356.A OD2 no hydrogen 3.175 N/A GLU 324.A N VAL 315.A O no hydrogen 2.975 N/A VAL 326.A N SER 313.A O no hydrogen 2.915 N/A ARG 328.A NE GLU 339.A OE1 no hydrogen 3.095 N/A ARG 328.A NH2 GLU 339.A OE1 no hydrogen 3.234 N/A LEU 330.A N ALA 350.A O no hydrogen 2.934 N/A GLN 331.A N GLN 338.A O no hydrogen 2.852 N/A GLN 331.A NE2 ILE 348.A O no hydrogen 3.026 N/A HIS 333.A N SER 336.A O no hydrogen 2.877 N/A GLN 338.A N GLN 331.A O no hydrogen 2.918 N/A GLN 338.A NE2 SER 336.A OG no hydrogen 2.895 N/A ILE 340.A N LEU 329.A O no hydrogen 3.100 N/A VAL 343.A N MET 309.A O no hydrogen 2.873 N/A TYR 344.A N ASP 347.A OD2 no hydrogen 2.806 N/A SER 345.A N ASP 279.A OD1 no hydrogen 2.914 N/A SER 345.A OG ASP 279.A OD1 no hydrogen 3.391 N/A SER 345.A OG GLY 307.A O no hydrogen 2.784 N/A GLY 346.A N VAL 304.A O no hydrogen 2.776 N/A ASP 347.A N TYR 344.A O no hydrogen 3.091 N/A ALA 349.A N PHE 302.A O no hydrogen 3.284 N/A ALA 350.A N LEU 330.A O no hydrogen 2.845 N/A ALA 351.A N THR 300.A O no hydrogen 2.869 N/A VAL 352.A N ARG 328.A O no hydrogen 3.154 N/A GLY 353.A N LYS 298.A O no hydrogen 2.772 N/A LYS 355.A N GLU 324.A OE1 no hydrogen 3.163 N/A ASP 356.A N GLU 324.A OE2 no hydrogen 2.723 N/A THR 357.A OG1 GLU 324.A OE2 no hydrogen 2.686 N/A GLY 358.A N ASP 361.A OD2 no hydrogen 2.939 N/A THR 359.A N GLU 406.A O no hydrogen 2.746 N/A THR 359.A OG1 GLU 406.A O no hydrogen 3.249 N/A GLY 360.A N ALA 287.A O no hydrogen 2.914 N/A ASP 361.A N GLY 358.A O no hydrogen 3.121 N/A THR 362.A N THR 319.A OG1 no hydrogen 2.912 N/A LEU 363.A N ALA 285.A O no hydrogen 3.027 N/A CYS 364.A N LYS 316.A O no hydrogen 2.925 N/A CYS 364.A SG GLY 365.A O no hydrogen 3.572 N/A CYS 364.A SG ASN 368.A O no hydrogen 3.366 N/A ASN 368.A N GLY 365.A O no hydrogen 3.078 N/A ILE 371.A N HIS 264.A O no hydrogen 2.812 N/A LEU 372.A N THR 362.A OG1 no hydrogen 2.892 N/A VAL 381.A N GLY 423.A O no hydrogen 3.023 N/A ILE 382.A N GLY 423.A O no hydrogen 3.372 N/A HIS 383.A N MET 450.A O no hydrogen 3.009 N/A LEU 384.A N ILE 421.A O no hydrogen 3.047 N/A VAL 386.A N VAL 419.A O no hydrogen 2.951 N/A GLU 387.A N ASN 445.A O no hydrogen 2.944 N/A LYS 389.A N GLU 443.A O no hydrogen 2.743 N/A SER 390.A OG ASP 393.A OD2 no hydrogen 2.959 N/A ASP 393.A N SER 390.A OG no hydrogen 3.154 N/A GLN 394.A N SER 390.A O no hydrogen 2.733 N/A ASP 395.A N LYS 391.A O no hydrogen 2.855 N/A LYS 396.A N ALA 392.A O no hydrogen 3.162 N/A LYS 396.A NZ ASN 441.A O no hydrogen 2.912 N/A MET 397.A N ASP 393.A O no hydrogen 3.177 N/A MET 397.A N GLN 394.A O no hydrogen 3.050 N/A THR 398.A N GLN 394.A O no hydrogen 3.106 N/A GLN 399.A N ASP 395.A O no hydrogen 3.402 N/A ALA 400.A N LYS 396.A O no hydrogen 2.977 N/A LEU 401.A N MET 397.A O no hydrogen 3.007 N/A VAL 402.A N THR 398.A O no hydrogen 3.447 N/A LYS 403.A N GLN 399.A O no hydrogen 3.207 N/A LEU 404.A N ALA 400.A O no hydrogen 2.846 N/A GLN 405.A N LEU 401.A O no hydrogen 3.155 N/A GLU 406.A N VAL 402.A O no hydrogen 3.457 N/A GLU 407.A N LEU 404.A O no hydrogen 3.215 N/A ASP 408.A N LEU 404.A O no hydrogen 2.970 N/A THR 410.A N ASP 408.A OD1 no hydrogen 2.991 N/A THR 410.A OG1 ASP 408.A OD1 no hydrogen 2.634 N/A THR 410.A OG1 ASP 408.A OD2 no hydrogen 3.565 N/A THR 410.A OG1 HIS 428.A NE2 no hydrogen 3.137 N/A HIS 412.A N GLY 422.A O no hydrogen 2.952 N/A HIS 414.A N ILE 420.A O no hydrogen 2.875 N/A VAL 419.A N VAL 386.A O no hydrogen 3.316 N/A ILE 420.A N HIS 414.A O no hydrogen 2.699 N/A ILE 421.A N LEU 384.A O no hydrogen 2.959 N/A GLY 422.A N HIS 412.A O no hydrogen 2.713 N/A GLY 423.A N ILE 382.A O no hydrogen 2.983 N/A MET 424.A N HIS 428.A ND1 no hydrogen 2.922 N/A HIS 428.A NE2 ASP 408.A OD2 no hydrogen 2.825 N/A LEU 429.A N GLY 425.A O no hydrogen 3.201 N/A ASP 430.A N GLU 426.A O no hydrogen 3.046 N/A ILE 431.A N LEU 427.A O no hydrogen 2.919 N/A LEU 432.A N HIS 428.A O no hydrogen 3.178 N/A VAL 433.A N LEU 429.A O no hydrogen 2.995 N/A ASP 434.A N ASP 430.A O no hydrogen 2.954 N/A ARG 435.A N ILE 431.A O no hydrogen 3.129 N/A ARG 435.A NE GLU 439.A OE1 no hydrogen 3.124 N/A ARG 435.A NH1 GLU 407.A OE1 no hydrogen 2.747 N/A ARG 435.A NH2 GLU 407.A OE2 no hydrogen 3.261 N/A ARG 435.A NH2 GLU 439.A OE1 no hydrogen 2.645 N/A ARG 435.A NH2 GLU 439.A OE2 no hydrogen 3.489 N/A MET 436.A N LEU 432.A O no hydrogen 3.053 N/A LYS 437.A N VAL 433.A O no hydrogen 3.026 N/A LYS 437.A NZ CYS 444.A O no hydrogen 3.069 N/A LYS 438.A N ASP 434.A O no hydrogen 2.974 N/A LYS 438.A NZ ASP 434.A OD1 no hydrogen 3.351 N/A GLU 439.A N ARG 435.A O no hydrogen 2.879 N/A PHE 440.A N MET 436.A O no hydrogen 3.259 N/A VAL 442.A N MET 436.A O no hydrogen 3.288 N/A GLU 443.A N ASP 393.A OD1 no hydrogen 2.849 N/A ASN 445.A N GLU 387.A O no hydrogen 3.096 N/A GLY 447.A N SER 385.A O no hydrogen 3.065 N/A MET 450.A N HIS 383.A O no hydrogen 2.886 N/A SER 452.A N VAL 381.A O no hydrogen 2.905 N/A TYR 453.A N VAL 451.A O no hydrogen 3.107 N/A ARG 454.A N LEU 572.A O no hydrogen 3.012 N/A ARG 454.A NH1 SER 452.A OG no hydrogen 2.734 N/A ARG 454.A NH1 TYR 453.A O no hydrogen 2.877 N/A GLU 455.A N PRO 529.A O no hydrogen 2.872 N/A THR 456.A N VAL 570.A O no hydrogen 3.073 N/A THR 456.A OG1 ILE 531.A O no hydrogen 2.925 N/A THR 456.A OG1 ASP 532.A O no hydrogen 3.284 N/A LYS 458.A N CYS 567.A O no hydrogen 3.069 N/A LYS 458.A N ASP 568.A O no hydrogen 2.993 N/A LYS 458.A NZ GLU 648.A OE2 no hydrogen 2.642 N/A SER 459.A N CYS 567.A O no hydrogen 3.123 N/A SER 459.A OG LYS 566.A O no hydrogen 3.498 N/A ALA 461.A N PHE 484.A O no hydrogen 3.173 N/A VAL 463.A N ILE 482.A O no hydrogen 3.023 N/A GLN 464.A NE2 ASP 479.A OD1 no hydrogen 2.929 N/A GLY 465.A N VAL 480.A O no hydrogen 2.886 N/A LYS 466.A NZ TYR 477.A OH no hydrogen 3.425 N/A PHE 467.A N GLY 478.A O no hydrogen 2.799 N/A ARG 469.A N GLN 476.A O no hydrogen 3.260 N/A GLN 476.A N ARG 469.A O no hydrogen 2.751 N/A TYR 477.A N ASP 546.A O no hydrogen 2.967 N/A TYR 477.A OH SER 541.A OG no hydrogen 2.530 N/A GLY 478.A N PHE 467.A O no hydrogen 3.056 N/A VAL 480.A N GLY 465.A O no hydrogen 2.894 N/A HIS 481.A N ASP 539.A O no hydrogen 2.853 N/A ILE 482.A N VAL 463.A O no hydrogen 2.997 N/A GLU 483.A N LYS 536.A O no hydrogen 2.940 N/A PHE 484.A N ALA 461.A O no hydrogen 2.910 N/A THR 485.A N LYS 534.A O no hydrogen 2.818 N/A ASN 487.A N ASP 532.A O no hydrogen 2.891 N/A ASN 487.A ND2 GLY 492.A O no hydrogen 2.899 N/A ASN 487.A ND2 GLU 494.A OE1 no hydrogen 2.920 N/A GLU 488.A N ASN 487.A OD1 no hydrogen 2.845 N/A GLY 490.A N ASP 532.A OD2 no hydrogen 3.001 N/A ALA 491.A N GLU 488.A O no hydrogen 2.994 N/A GLY 492.A N ASP 532.A OD1 no hydrogen 2.798 N/A GLU 494.A N VAL 533.A O no hydrogen 3.435 N/A GLU 496.A N ALA 535.A O no hydrogen 2.895 N/A ALA 498.A N LEU 537.A O no hydrogen 2.847 N/A ILE 499.A N ASN 497.A OD1 no hydrogen 3.110 N/A TYR 508.A N PRO 505.A O no hydrogen 3.021 N/A ILE 509.A N ARG 506.A O no hydrogen 3.342 N/A VAL 512.A N TYR 508.A O no hydrogen 3.255 N/A GLU 513.A N ILE 509.A O no hydrogen 3.356 N/A ALA 514.A N PRO 510.A O no hydrogen 2.944 N/A GLY 515.A N SER 511.A O no hydrogen 2.829 N/A LEU 516.A N VAL 512.A O no hydrogen 3.056 N/A LYS 517.A N GLU 513.A O no hydrogen 3.048 N/A ASP 518.A N ALA 514.A O no hydrogen 3.184 N/A ALA 519.A N GLY 515.A O no hydrogen 3.164 N/A MET 520.A N LEU 516.A O no hydrogen 3.048 N/A GLU 521.A N LYS 517.A O no hydrogen 3.224 N/A ASN 522.A N ALA 519.A O no hydrogen 3.216 N/A GLY 523.A N MET 520.A O no hydrogen 2.959 N/A VAL 524.A N GLU 455.A OE1 no hydrogen 2.696 N/A LEU 525.A N GLU 455.A OE1 no hydrogen 3.000 N/A ALA 526.A N GLU 455.A OE2 no hydrogen 2.856 N/A TYR 528.A N GLU 455.A OE2 no hydrogen 3.021 N/A LEU 530.A N MET 520.A O no hydrogen 2.918 N/A ILE 531.A N GLU 455.A O no hydrogen 2.847 N/A LYS 534.A N THR 485.A O no hydrogen 2.642 N/A ALA 535.A N GLU 494.A O no hydrogen 3.046 N/A LYS 536.A N GLU 483.A O no hydrogen 2.983 N/A LEU 537.A N GLU 496.A O no hydrogen 3.022 N/A TYR 538.A N HIS 481.A O no hydrogen 3.142 N/A GLY 540.A N ASP 539.A OD1 no hydrogen 2.756 N/A SER 541.A N ASP 479.A O no hydrogen 2.993 N/A SER 541.A OG TYR 477.A OH no hydrogen 2.530 N/A SER 541.A OG ASP 479.A OD2 no hydrogen 2.617 N/A HIS 543.A N SER 547.A OG no hydrogen 3.045 N/A VAL 545.A N HIS 543.A ND1 no hydrogen 3.296 N/A ASP 546.A N HIS 543.A ND1 no hydrogen 3.181 N/A SER 547.A N HIS 543.A O no hydrogen 3.105 N/A SER 547.A OG TYR 477.A O no hydrogen 2.784 N/A ALA 551.A N SER 548.A OG no hydrogen 3.082 N/A PHE 552.A N SER 548.A O no hydrogen 3.243 N/A LYS 553.A N GLU 549.A O no hydrogen 3.203 N/A ILE 554.A N MET 550.A O no hydrogen 3.082 N/A ALA 555.A N ALA 551.A O no hydrogen 2.918 N/A ALA 556.A N PHE 552.A O no hydrogen 3.098 N/A SER 557.A N LYS 553.A O no hydrogen 3.084 N/A LEU 558.A N ILE 554.A O no hydrogen 2.985 N/A ALA 559.A N ALA 555.A O no hydrogen 3.150 N/A LEU 560.A N ALA 556.A O no hydrogen 3.085 N/A LYS 561.A N SER 557.A O no hydrogen 3.157 N/A GLU 562.A N LEU 558.A O no hydrogen 3.067 N/A ALA 563.A N ALA 559.A O no hydrogen 2.950 N/A ALA 564.A N LEU 560.A O no hydrogen 2.923 N/A LYS 565.A N GLU 562.A O no hydrogen 3.128 N/A LYS 566.A N ALA 563.A O no hydrogen 2.969 N/A CYS 567.A N ALA 563.A O no hydrogen 2.931 N/A CYS 567.A SG SER 459.A O no hydrogen 3.604 N/A VAL 570.A N THR 456.A O no hydrogen 3.003 N/A LEU 572.A N ARG 454.A O no hydrogen 2.807 N/A GLU 573.A N ALA 647.A O no hydrogen 2.803 N/A MET 575.A N HIS 645.A O no hydrogen 2.710 N/A MET 576.A N VAL 617.A O no hydrogen 2.895 N/A LYS 577.A N TYR 642.A O no hydrogen 2.794 N/A LYS 577.A NZ ASN 614.A OD1 no hydrogen 2.759 N/A LYS 577.A NZ TYR 616.A OH no hydrogen 3.557 N/A VAL 578.A N ALA 615.A O no hydrogen 2.826 N/A THR 579.A N THR 640.A O no hydrogen 2.985 N/A ILE 580.A N VAL 613.A O no hydrogen 2.941 N/A GLU 581.A N THR 638.A O no hydrogen 2.992 N/A MET 582.A N GLN 611.A O no hydrogen 3.247 N/A GLU 584.A N ASN 609.A O no hydrogen 2.961 N/A GLU 585.A N GLU 585.A OE1 no hydrogen 2.783 N/A TYR 586.A N PRO 583.A O no hydrogen 3.109 N/A MET 587.A N GLU 584.A O no hydrogen 3.063 N/A ILE 590.A N TYR 586.A O no hydrogen 3.155 N/A MET 591.A N MET 587.A O no hydrogen 2.959 N/A GLY 592.A N GLY 588.A O no hydrogen 3.033 N/A ASP 593.A N ASP 589.A O no hydrogen 3.084 N/A VAL 594.A N ILE 590.A O no hydrogen 3.043 N/A THR 595.A N MET 591.A O no hydrogen 3.075 N/A THR 595.A OG1 MET 591.A O no hydrogen 3.274 N/A SER 596.A N GLY 592.A O no hydrogen 2.973 N/A SER 596.A OG ASP 593.A O no hydrogen 2.823 N/A ARG 597.A N ASP 593.A O no hydrogen 3.168 N/A ARG 597.A N VAL 594.A O no hydrogen 3.182 N/A ARG 597.A NE ASP 593.A OD1 no hydrogen 3.174 N/A ARG 597.A NE ASP 593.A OD2 no hydrogen 2.947 N/A ARG 597.A NH1 GLU 621.A O no hydrogen 2.861 N/A ARG 597.A NH1 PHE 623.A O no hydrogen 3.207 N/A ARG 597.A NH2 ASP 593.A OD1 no hydrogen 3.298 N/A ARG 598.A N THR 595.A O no hydrogen 3.046 N/A ARG 598.A NE GLU 621.A OE2 no hydrogen 2.967 N/A ARG 598.A NH1 GLU 573.A OE1 no hydrogen 3.269 N/A ARG 598.A NH2 GLU 573.A OE1 no hydrogen 3.011 N/A ARG 598.A NH2 GLU 573.A OE2 no hydrogen 3.272 N/A ARG 598.A NH2 GLU 621.A OE2 no hydrogen 3.463 N/A GLY 599.A N VAL 594.A O no hydrogen 2.907 N/A ARG 600.A N TYR 616.A O no hydrogen 3.104 N/A ASP 602.A N ASN 614.A O no hydrogen 2.848 N/A GLU 605.A N VAL 612.A O no hydrogen 3.004 N/A ARG 607.A N ALA 610.A O no hydrogen 2.923 N/A ARG 607.A NH1 GLU 581.A OE1 no hydrogen 3.353 N/A ASN 609.A ND2 ARG 128.A O no hydrogen 3.080 N/A ALA 610.A N ARG 607.A O no hydrogen 2.841 N/A GLN 611.A N MET 582.A O no hydrogen 2.968 N/A VAL 612.A N GLU 605.A O no hydrogen 2.847 N/A VAL 613.A N ILE 580.A O no hydrogen 2.782 N/A ASN 614.A N GLY 603.A O no hydrogen 2.984 N/A ASN 614.A ND2 ASP 602.A O no hydrogen 3.063 N/A ASN 614.A ND2 TYR 616.A OH no hydrogen 3.445 N/A ALA 615.A N VAL 578.A O no hydrogen 2.976 N/A TYR 616.A N ARG 600.A O no hydrogen 2.964 N/A VAL 617.A N MET 576.A O no hydrogen 2.997 N/A LEU 619.A N PRO 574.A O no hydrogen 3.070 N/A SER 620.A OG GLU 573.A OE2 no hydrogen 2.971 N/A GLU 621.A N PRO 618.A O no hydrogen 3.016 N/A MET 622.A N LEU 619.A O no hydrogen 2.942 N/A GLY 624.A N GLU 426.A OE2 no hydrogen 2.752 N/A TYR 625.A N MET 622.A O no hydrogen 3.116 N/A SER 628.A N GLY 624.A O no hydrogen 3.236 N/A LEU 629.A N TYR 625.A O no hydrogen 2.915 N/A ARG 630.A N ALA 626.A O no hydrogen 2.968 N/A ARG 630.A NH2 ASP 61.A OD1 no hydrogen 3.330 N/A SER 631.A N THR 627.A O no hydrogen 3.095 N/A ASN 632.A N SER 628.A O no hydrogen 2.856 N/A THR 633.A N LEU 629.A O no hydrogen 3.025 N/A THR 633.A OG1 LEU 629.A O no hydrogen 2.830 N/A GLN 634.A NE2 TYR 586.A OH no hydrogen 2.458 N/A GLY 635.A N ARG 630.A O no hydrogen 2.744 N/A ARG 636.A N THR 633.A O no hydrogen 3.029 N/A ARG 636.A NE GLU 91.A OE1 no hydrogen 3.367 N/A ARG 636.A NE GLU 91.A OE2 no hydrogen 2.956 N/A ARG 636.A NH1 GLU 585.A OE2 no hydrogen 2.970 N/A ARG 636.A NH1 TYR 586.A OH no hydrogen 3.079 N/A ARG 636.A NH2 GLU 91.A OE1 no hydrogen 3.321 N/A ARG 636.A NH2 ARG 128.A O no hydrogen 3.095 N/A GLY 637.A N THR 633.A OG1 no hydrogen 2.992 N/A THR 638.A N GLU 581.A O no hydrogen 2.989 N/A THR 640.A N THR 579.A O no hydrogen 3.102 N/A TYR 642.A N LYS 577.A O no hydrogen 3.087 N/A ASP 644.A N MET 575.A O no hydrogen 2.969 N/A HIS 645.A N MET 575.A O no hydrogen 3.285 N/A HIS 645.A ND1 ASP 644.A OD2 no hydrogen 2.597 N/A ALA 647.A N GLU 573.A O no hydrogen 3.109 N/A VAL 649.A N ILE 571.A O no hydrogen 3.044 N/A ALA 654.A N PRO 650.A O no hydrogen 2.980 N/A GLU 655.A N LYS 651.A O no hydrogen 3.071 N/A ASP 656.A N SER 652.A O no hydrogen 3.268 N/A ILE 657.A N ILE 653.A O no hydrogen 2.968 N/A ILE 658.A N ALA 654.A O no hydrogen 2.892 N/A LYS 659.A N GLU 655.A O no hydrogen 2.857 N/A LYS 660.A N ASP 656.A O no hydrogen 2.855 N/A ASN 661.A N ILE 657.A O no hydrogen 3.075 N/A ASN 661.A ND2 ALA 526.A O no hydrogen 3.614 N/A ASN 661.A ND2 TYR 528.A OH no hydrogen 3.100 N/A GLY 663.A N LYS 660.A O no hydrogen 2.778 N/A GLU 664.A N LYS 659.A O no hydrogen 3.227 N/A