Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lla_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 LEU 500.A O no hydrogen 3.106 N/A LYS 4.A NZ ASP 92.A O no hydrogen 3.010 N/A GLN 5.A N LEU 1.A O no hydrogen 2.740 N/A GLN 5.A NE2 GLN 5.A O no hydrogen 3.252 N/A GLN 5.A NE2 TYR 97.A O no hydrogen 3.003 N/A ILE 6.A N HIS 2.A O no hydrogen 3.000 N/A ARG 7.A N ASP 3.A O no hydrogen 3.134 N/A ARG 7.A NH1 ASN 61.A OD1 no hydrogen 2.824 N/A ARG 7.A NH2 ASN 61.A OD1 no hydrogen 2.946 N/A ILE 8.A N LYS 4.A O no hydrogen 3.007 N/A CYS 9.A N GLN 5.A O no hydrogen 2.999 N/A CYS 9.A SG GLN 5.A O no hydrogen 3.126 N/A HIS 10.A N ILE 6.A O no hydrogen 3.077 N/A LEU 11.A N ILE 8.A O no hydrogen 2.839 N/A PHE 12.A N CYS 9.A O no hydrogen 3.103 N/A GLU 13.A N HIS 10.A O no hydrogen 3.349 N/A GLN 14.A N HIS 399.A O no hydrogen 2.731 N/A GLN 14.A NE2 ILE 401.A O no hydrogen 2.961 N/A SER 17.A N GLN 14.A O no hydrogen 2.843 N/A ALA 18.A N LEU 15.A O no hydrogen 3.405 N/A HIS 20.A ND1 GLU 69.A OE2 no hydrogen 3.226 N/A ARG 23.A NH1 ASP 62.A OD2 no hydrogen 3.049 N/A ARG 23.A NH2 ASP 62.A OD1 no hydrogen 2.885 N/A ARG 23.A NH2 ASP 62.A OD2 no hydrogen 3.203 N/A LEU 24.A N SER 21.A O no hydrogen 3.154 N/A LYS 25.A N ASP 22.A O no hydrogen 3.337 N/A GLY 28.A N GLU 46.A OE2 no hydrogen 2.838 N/A LYS 29.A N GLU 46.A OE2 no hydrogen 3.050 N/A LEU 30.A N GLU 46.A OE1 no hydrogen 2.899 N/A GLY 33.A N GLU 76.A OE1 no hydrogen 3.023 N/A ALA 34.A N GLN 31.A O no hydrogen 3.177 N/A ILE 35.A N GLU 324.A OE1 no hydrogen 3.145 N/A SER 37.A N HIS 43.A ND1 no hydrogen 3.130 N/A CYS 38.A N SER 329.A O no hydrogen 2.768 N/A CYS 38.A SG THR 331.A OG1 no hydrogen 3.567 N/A PHE 39.A N SER 37.A OG no hydrogen 3.184 N/A HIS 40.A N SER 37.A OG no hydrogen 2.969 N/A ASP 42.A N HIS 40.A ND1 no hydrogen 3.202 N/A HIS 43.A N HIS 40.A O no hydrogen 3.114 N/A LEU 44.A N HIS 40.A O no hydrogen 3.163 N/A GLU 45.A N PRO 41.A O no hydrogen 3.008 N/A GLU 46.A N ASP 42.A O no hydrogen 3.436 N/A ALA 47.A N HIS 43.A O no hydrogen 2.899 N/A ARG 48.A N LEU 44.A O no hydrogen 2.924 N/A ARG 48.A NH1 GLU 52.A OE2 no hydrogen 3.156 N/A HIS 49.A N GLU 45.A O no hydrogen 3.032 N/A LEU 50.A N GLU 46.A O no hydrogen 3.111 N/A TYR 51.A N ALA 47.A O no hydrogen 3.099 N/A TYR 51.A OH THR 163.A OG1 no hydrogen 3.054 N/A GLU 52.A N ARG 48.A O no hydrogen 2.887 N/A VAL 53.A N HIS 49.A O no hydrogen 3.157 N/A PHE 54.A N LEU 50.A O no hydrogen 3.025 N/A TRP 55.A N TYR 51.A O no hydrogen 2.794 N/A GLU 56.A N GLU 52.A O no hydrogen 2.890 N/A ALA 57.A N PHE 54.A O no hydrogen 3.386 N/A GLY 58.A N ASP 62.A OD2 no hydrogen 2.813 N/A PHE 63.A N ASP 59.A O no hydrogen 2.866 N/A ILE 64.A N PHE 60.A O no hydrogen 2.910 N/A GLU 65.A N ASN 61.A O no hydrogen 2.930 N/A ILE 66.A N ASP 62.A O no hydrogen 2.939 N/A ALA 67.A N PHE 63.A O no hydrogen 2.949 N/A LYS 68.A N ILE 64.A O no hydrogen 2.986 N/A GLU 69.A N GLU 65.A O no hydrogen 3.160 N/A ALA 70.A N ILE 66.A O no hydrogen 2.775 N/A ARG 71.A N ALA 67.A O no hydrogen 2.822 N/A ARG 71.A NH1 HIS 10.A O no hydrogen 2.852 N/A ARG 71.A NH2 GLU 13.A O no hydrogen 2.987 N/A THR 72.A N GLU 69.A O no hydrogen 3.078 N/A THR 72.A OG1 GLU 69.A O no hydrogen 2.611 N/A PHE 73.A N ALA 70.A O no hydrogen 2.976 N/A VAL 74.A N ALA 70.A O no hydrogen 2.950 N/A ASN 75.A ND2 GLN 31.A O no hydrogen 2.859 N/A ASN 75.A ND2 ALA 34.A O no hydrogen 2.755 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.902 N/A GLY 77.A N ASN 75.A OD1 no hydrogen 2.953 N/A LEU 78.A N ASN 75.A OD1 no hydrogen 3.280 N/A PHE 79.A N ASN 75.A O no hydrogen 3.092 N/A ALA 80.A N GLU 76.A O no hydrogen 3.115 N/A PHE 81.A N GLY 77.A O no hydrogen 2.979 N/A ALA 82.A N LEU 78.A O no hydrogen 2.874 N/A ALA 83.A N PHE 79.A O no hydrogen 2.816 N/A GLU 84.A N ALA 80.A O no hydrogen 2.970 N/A VAL 85.A N PHE 81.A O no hydrogen 3.145 N/A ALA 86.A N ALA 82.A O no hydrogen 2.969 N/A VAL 87.A N ALA 83.A O no hydrogen 2.963 N/A LEU 88.A N GLU 84.A O no hydrogen 3.000 N/A HIS 89.A N ALA 86.A O no hydrogen 3.178 N/A HIS 89.A ND1 VAL 85.A O no hydrogen 2.881 N/A ARG 90.A N ALA 86.A O no hydrogen 2.905 N/A ARG 90.A NE ASP 92.A OD1 no hydrogen 2.950 N/A ARG 90.A NE ASP 92.A OD2 no hydrogen 3.399 N/A ARG 90.A NH1 PHE 54.A O no hydrogen 2.634 N/A ARG 90.A NH1 ALA 57.A O no hydrogen 2.981 N/A ARG 90.A NH2 ALA 57.A O no hydrogen 2.809 N/A ARG 90.A NH2 ASP 92.A OD2 no hydrogen 2.795 N/A CYS 93.A N ARG 90.A O no hydrogen 3.038 N/A CYS 93.A SG ASP 92.A OD1 no hydrogen 3.005 N/A LYS 94.A N ASP 91.A O no hydrogen 3.335 N/A LEU 96.A N CYS 93.A O no hydrogen 2.917 N/A TYR 97.A N GLN 5.A OE1 no hydrogen 2.925 N/A TYR 97.A OH GLU 508.A O no hydrogen 3.290 N/A GLU 103.A N PRO 100.A O no hydrogen 2.992 N/A ILE 104.A N PRO 100.A O no hydrogen 3.166 N/A PHE 105.A N VAL 101.A O no hydrogen 2.929 N/A LYS 108.A N PHE 105.A O no hydrogen 2.938 N/A LYS 108.A NZ ASP 330.A OD2 no hydrogen 2.991 N/A PHE 109.A N PRO 106.A O no hydrogen 3.023 N/A SER 112.A N HIS 219.A O no hydrogen 2.949 N/A SER 112.A OG HIS 219.A O no hydrogen 3.111 N/A SER 112.A OG THR 221.A OG1 no hydrogen 2.728 N/A ALA 114.A N PRO 111.A O no hydrogen 2.948 N/A ILE 115.A N PRO 111.A O no hydrogen 3.319 N/A ASN 116.A N SER 112.A O no hydrogen 2.725 N/A GLU 117.A N ALA 113.A O no hydrogen 3.073 N/A ALA 118.A N ALA 114.A O no hydrogen 2.851 N/A PHE 119.A N ILE 115.A O no hydrogen 2.791 N/A LYS 120.A N GLU 117.A O no hydrogen 3.042 N/A LYS 121.A N GLU 117.A O no hydrogen 2.853 N/A ILE 125.A N SER 408.A O no hydrogen 2.925 N/A VAL 127.A N LYS 410.A O no hydrogen 2.834 N/A VAL 129.A N ARG 412.A O no hydrogen 2.955 N/A TYR 138.A N ASP 135.A O no hydrogen 3.128 N/A ARG 139.A N PRO 136.A O no hydrogen 3.234 N/A LEU 140.A N GLU 137.A O no hydrogen 3.001 N/A ALA 141.A N TYR 138.A O no hydrogen 2.955 N/A TYR 142.A OH GLU 194.A OE1 no hydrogen 2.845 N/A TYR 143.A N LEU 140.A O no hydrogen 2.873 N/A ARG 144.A N LEU 140.A O no hydrogen 2.952 N/A ARG 144.A NH1 GLU 145.A OE2 no hydrogen 3.190 N/A ARG 144.A NH1 ARG 336.A O no hydrogen 2.657 N/A ARG 144.A NH2 GLU 137.A O no hydrogen 2.864 N/A GLU 145.A N ALA 141.A O no hydrogen 2.933 N/A ASP 146.A N TYR 143.A O no hydrogen 3.095 N/A GLY 148.A N ASP 146.A OD2 no hydrogen 2.928 N/A ILE 149.A N ASP 146.A OD2 no hydrogen 3.103 N/A ASN 150.A ND2 ARG 144.A O no hydrogen 3.052 N/A ASN 150.A ND2 ASP 146.A O no hydrogen 2.898 N/A ALA 151.A N VAL 147.A O no hydrogen 3.128 N/A HIS 152.A N GLY 148.A O no hydrogen 2.894 N/A HIS 153.A N ILE 149.A O no hydrogen 3.089 N/A HIS 153.A ND1 THR 331.A O no hydrogen 2.887 N/A TRP 154.A N ASN 150.A O no hydrogen 3.171 N/A TRP 154.A NE1 GLU 84.A OE1 no hydrogen 2.960 N/A HIS 155.A N ALA 151.A O no hydrogen 3.202 N/A HIS 155.A ND1 GLU 84.A OE2 no hydrogen 2.719 N/A TRP 156.A N HIS 152.A O no hydrogen 2.952 N/A TRP 156.A NE1 TYR 554.A O no hydrogen 3.093 N/A HIS 157.A N HIS 153.A O no hydrogen 3.342 N/A HIS 157.A NE2 HIS 153.A NE2 no hydrogen 3.130 N/A LEU 158.A N HIS 155.A O no hydrogen 3.037 N/A VAL 159.A N HIS 155.A O no hydrogen 2.951 N/A TYR 160.A N TRP 156.A O no hydrogen 2.911 N/A TYR 160.A OH CYS 555.A O no hydrogen 2.666 N/A THR 163.A OG1 TYR 51.A OH no hydrogen 3.054 N/A TRP 164.A N PRO 161.A O no hydrogen 3.159 N/A TRP 164.A NE1 LYS 171.A O no hydrogen 2.981 N/A LYS 167.A N ASN 165.A OD1 no hydrogen 3.082 N/A TYR 168.A N ASN 165.A O no hydrogen 3.225 N/A TYR 168.A N ASN 165.A OD1 no hydrogen 3.328 N/A TYR 168.A OH GLU 56.A OE1 no hydrogen 2.756 N/A PHE 169.A N ASN 165.A O no hydrogen 3.160 N/A LYS 173.A NZ HIS 89.A NE2 no hydrogen 2.883 N/A LYS 173.A NZ VAL 159.A O no hydrogen 2.840 N/A ARG 175.A NE GLU 178.A OE1 no hydrogen 2.878 N/A ARG 175.A NH1 ASP 564.A O no hydrogen 2.780 N/A ARG 175.A NH2 GLU 178.A OE1 no hydrogen 3.186 N/A ARG 175.A NH2 GLU 178.A OE2 no hydrogen 3.376 N/A ARG 175.A NH2 LYS 566.A O no hydrogen 2.963 N/A LYS 176.A NZ PRO 161.A O no hydrogen 3.446 N/A GLY 177.A N ASP 282.A OD1 no hydrogen 2.938 N/A GLU 178.A N ASP 282.A OD1 no hydrogen 3.353 N/A LEU 179.A N ARG 175.A O no hydrogen 2.807 N/A PHE 180.A N LYS 176.A O no hydrogen 2.830 N/A TYR 181.A N GLY 177.A O no hydrogen 3.041 N/A TYR 182.A N GLU 178.A O no hydrogen 3.014 N/A TYR 182.A OH GLU 465.A OE1 no hydrogen 2.734 N/A MET 183.A N LEU 179.A O no hydrogen 2.852 N/A HIS 184.A N PHE 180.A O no hydrogen 3.212 N/A HIS 184.A ND1 PHE 180.A O no hydrogen 2.864 N/A GLN 185.A N TYR 181.A O no hydrogen 2.803 N/A GLN 186.A N TYR 182.A O no hydrogen 2.812 N/A GLN 186.A NE2 GLN 185.A OE1 no hydrogen 3.103 N/A GLN 186.A NE2 ALA 463.A O no hydrogen 3.019 N/A MET 187.A N MET 183.A O no hydrogen 3.047 N/A CYS 188.A N HIS 184.A O no hydrogen 3.050 N/A CYS 188.A SG HIS 184.A O no hydrogen 3.445 N/A ALA 189.A N GLN 185.A O no hydrogen 2.885 N/A ARG 190.A N GLN 186.A O no hydrogen 2.933 N/A ARG 190.A NE TYR 554.A OH no hydrogen 2.944 N/A ARG 190.A NH1 LEU 519.A O no hydrogen 2.997 N/A ARG 190.A NH2 GLU 465.A O no hydrogen 2.898 N/A TYR 191.A N MET 187.A O no hydrogen 2.971 N/A ASP 192.A N CYS 188.A O no hydrogen 2.947 N/A CYS 193.A N ALA 189.A O no hydrogen 3.104 N/A CYS 193.A SG ALA 189.A O no hydrogen 3.495 N/A CYS 193.A SG THR 462.A O no hydrogen 3.832 N/A GLU 194.A N ARG 190.A O no hydrogen 3.076 N/A ARG 195.A N TYR 191.A O no hydrogen 2.937 N/A ARG 195.A NE HIS 201.A O no hydrogen 2.740 N/A ARG 195.A NH1 GLU 137.A OE1 no hydrogen 2.936 N/A ARG 195.A NH1 GLU 137.A OE2 no hydrogen 3.416 N/A ARG 195.A NH2 GLU 137.A OE2 no hydrogen 3.544 N/A ARG 195.A NH2 HIS 201.A O no hydrogen 3.378 N/A LEU 196.A N ASP 192.A O no hydrogen 3.009 N/A SER 197.A N CYS 193.A O no hydrogen 2.929 N/A SER 197.A OG CYS 193.A O no hydrogen 2.808 N/A ASN 198.A N GLU 194.A O no hydrogen 3.060 N/A ASN 198.A N ARG 195.A O no hydrogen 3.162 N/A ASN 198.A ND2 TYR 142.A OH no hydrogen 2.991 N/A ASN 198.A ND2 GLU 194.A O no hydrogen 2.796 N/A GLY 199.A N LEU 196.A O no hydrogen 3.199 N/A MET 200.A N ARG 195.A O no hydrogen 2.900 N/A HIS 201.A ND1 GLU 449.A OE2 no hydrogen 2.833 N/A ARG 202.A NH2 GLU 458.A OE1 no hydrogen 2.996 N/A MET 203.A N ASP 192.A OD1 no hydrogen 3.025 N/A PHE 206.A N ASN 342.A O no hydrogen 2.880 N/A ASP 210.A N ASN 208.A OD1 no hydrogen 2.847 N/A GLU 211.A N ASN 208.A O no hydrogen 3.114 N/A LEU 213.A N LEU 236.A O no hydrogen 2.945 N/A GLY 215.A N ASP 234.A OD1 no hydrogen 2.701 N/A TYR 216.A N ARG 232.A O no hydrogen 2.922 N/A TYR 216.A OH GLU 145.A OE2 no hydrogen 2.912 N/A THR 221.A OG1 SER 112.A OG no hydrogen 2.728 N/A HIS 222.A N LYS 227.A O no hydrogen 2.600 N/A VAL 223.A N ASP 107.A OD2 no hydrogen 2.882 N/A SER 225.A N HIS 222.A O no hydrogen 3.128 N/A SER 225.A OG GLY 33.A O no hydrogen 3.065 N/A SER 225.A OG HIS 222.A O no hydrogen 3.280 N/A GLY 226.A N VAL 223.A O no hydrogen 3.510 N/A LYS 227.A N SER 225.A OG no hydrogen 3.106 N/A TYR 228.A OH GLU 323.A OE1 no hydrogen 2.651 N/A TYR 229.A N LEU 220.A O no hydrogen 3.143 N/A TYR 229.A OH ASP 330.A OD2 no hydrogen 2.753 N/A SER 230.A N PRO 325.A O no hydrogen 3.470 N/A SER 230.A OG HIS 315.A NE2 no hydrogen 3.297 N/A SER 230.A OG GLU 324.A O no hydrogen 2.731 N/A ARG 232.A N TYR 216.A O no hydrogen 2.993 N/A ARG 232.A NE ALA 214.A O no hydrogen 2.846 N/A ARG 232.A NH1 ASP 337.A OD1 no hydrogen 3.502 N/A ARG 232.A NH1 ASP 337.A OD2 no hydrogen 2.884 N/A ARG 232.A NH2 ALA 214.A O no hydrogen 2.870 N/A ARG 232.A NH2 ASP 337.A OD1 no hydrogen 2.890 N/A GLY 235.A N LEU 213.A O no hydrogen 2.990 N/A LYS 237.A NZ ASP 210.A O no hydrogen 2.599 N/A LEU 241.A N ILE 244.A O no hydrogen 2.787 N/A ILE 244.A N LEU 241.A O no hydrogen 3.373 N/A GLU 245.A N GLU 248.A OE1 no hydrogen 3.030 N/A ILE 246.A N ASP 240.A OD1 no hydrogen 3.061 N/A GLU 248.A N GLU 245.A O no hydrogen 2.890 N/A MET 249.A N GLU 245.A O no hydrogen 3.427 N/A VAL 250.A N ILE 246.A O no hydrogen 3.156 N/A ARG 251.A N SER 247.A O no hydrogen 3.091 N/A MET 252.A N GLU 248.A O no hydrogen 3.100 N/A ARG 253.A N MET 249.A O no hydrogen 3.085 N/A ARG 253.A NE GLU 254.A OE2 no hydrogen 3.083 N/A ARG 253.A NH2 GLU 254.A OE2 no hydrogen 3.170 N/A GLU 254.A N VAL 250.A O no hydrogen 3.107 N/A ARG 255.A N ARG 251.A O no hydrogen 2.979 N/A ARG 255.A NH1 TYR 299.A O no hydrogen 2.984 N/A ILE 256.A N MET 252.A O no hydrogen 2.926 N/A LEU 257.A N ARG 253.A O no hydrogen 2.908 N/A ASP 258.A N GLU 254.A O no hydrogen 2.954 N/A SER 259.A N ARG 255.A O no hydrogen 3.276 N/A SER 259.A OG ARG 255.A O no hydrogen 3.438 N/A SER 259.A OG TYR 300.A OH no hydrogen 2.750 N/A ILE 260.A N ILE 256.A O no hydrogen 3.120 N/A HIS 261.A N LEU 257.A O no hydrogen 3.114 N/A HIS 261.A NE2 GLU 353.A OE2 no hydrogen 2.810 N/A LEU 262.A N ASP 258.A O no hydrogen 2.920 N/A GLY 263.A N SER 259.A O no hydrogen 2.766 N/A VAL 265.A N LYS 273.A O no hydrogen 2.701 N/A ILE 266.A N TYR 300.A OH no hydrogen 3.042 N/A SER 267.A N SER 271.A O no hydrogen 2.845 N/A SER 267.A OG SER 271.A O no hydrogen 3.235 N/A SER 267.A OG SER 271.A OG no hydrogen 3.183 N/A GLY 270.A N SER 267.A O no hydrogen 2.742 N/A SER 271.A OG SER 267.A OG no hydrogen 3.183 N/A SER 271.A OG ASP 269.A OD1 no hydrogen 2.950 N/A SER 271.A OG ASP 269.A OD2 no hydrogen 2.905 N/A LYS 273.A N VAL 265.A O no hydrogen 2.767 N/A LEU 275.A N GLY 263.A O no hydrogen 3.165 N/A HIS 279.A ND1 ASP 276.A OD2 no hydrogen 3.022 N/A GLY 280.A N ASP 276.A O no hydrogen 2.773 N/A ILE 283.A N HIS 279.A O no hydrogen 3.022 N/A LEU 284.A N GLY 280.A O no hydrogen 2.991 N/A GLY 285.A N THR 281.A O no hydrogen 2.856 N/A ALA 286.A N ASP 282.A O no hydrogen 3.068 N/A LEU 287.A N ILE 283.A O no hydrogen 3.288 N/A VAL 288.A N LEU 284.A O no hydrogen 2.967 N/A GLU 289.A N GLY 285.A O no hydrogen 2.954 N/A SER 290.A N ASN 302.A OD1 no hydrogen 3.008 N/A SER 290.A OG GLY 301.A O no hydrogen 3.021 N/A SER 290.A OG ASN 302.A OD1 no hydrogen 3.047 N/A SER 291.A N ALA 286.A O no hydrogen 2.737 N/A TYR 292.A N SER 162.A O no hydrogen 2.864 N/A GLU 293.A N SER 291.A OG no hydrogen 3.240 N/A SER 294.A N SER 291.A O no hydrogen 2.928 N/A ASN 296.A N SER 294.A OG no hydrogen 3.378 N/A ASN 296.A ND2 ILE 266.A O no hydrogen 3.065 N/A TYR 299.A N ASN 296.A OD1 no hydrogen 3.154 N/A TYR 300.A N ASN 296.A O no hydrogen 2.942 N/A TYR 300.A OH SER 259.A OG no hydrogen 2.750 N/A GLY 301.A N HIS 297.A O no hydrogen 2.860 N/A HIS 304.A N VAL 288.A O no hydrogen 3.196 N/A HIS 304.A ND1 ASN 305.A OD1 no hydrogen 2.885 N/A ASN 305.A N GLU 289.A O no hydrogen 3.110 N/A ASN 305.A ND2 ASN 302.A OD1 no hydrogen 3.550 N/A TRP 306.A N ASN 302.A O no hydrogen 3.112 N/A GLY 307.A N LEU 303.A O no hydrogen 3.031 N/A HIS 308.A N HIS 304.A O no hydrogen 3.342 N/A HIS 308.A ND1 MET 328.A O no hydrogen 2.938 N/A HIS 308.A NE2 HIS 304.A NE2 no hydrogen 3.172 N/A VAL 309.A N ASN 305.A O no hydrogen 3.053 N/A THR 310.A N TRP 306.A O no hydrogen 2.835 N/A THR 310.A OG1 TRP 306.A O no hydrogen 2.992 N/A THR 310.A OG1 GLY 307.A O no hydrogen 3.445 N/A MET 311.A N GLY 307.A O no hydrogen 3.004 N/A ALA 312.A N HIS 308.A O no hydrogen 2.866 N/A ARG 313.A N VAL 309.A O no hydrogen 3.091 N/A HIS 315.A NE2 GLU 324.A O no hydrogen 2.849 N/A ASP 316.A N ARG 313.A O no hydrogen 2.950 N/A GLY 319.A N ASP 316.A O no hydrogen 3.009 N/A ARG 320.A N ASP 318.A OD1 no hydrogen 3.100 N/A ARG 320.A NE ASP 318.A OD1 no hydrogen 3.133 N/A ARG 320.A NH2 ASP 318.A OD2 no hydrogen 2.947 N/A PHE 321.A N ASP 316.A OD1 no hydrogen 2.945 N/A HIS 322.A N GLY 319.A O no hydrogen 2.939 N/A GLU 323.A N ASP 316.A OD2 no hydrogen 2.964 N/A GLY 326.A N ALA 312.A O no hydrogen 2.855 N/A SER 329.A N GLY 326.A O no hydrogen 3.095 N/A SER 329.A OG GLY 326.A O no hydrogen 2.788 N/A ASP 330.A N VAL 327.A O no hydrogen 3.407 N/A SER 332.A N ASP 330.A OD1 no hydrogen 3.006 N/A SER 332.A OG ASP 330.A OD1 no hydrogen 2.688 N/A SER 332.A OG ASP 330.A OD2 no hydrogen 3.462 N/A THR 333.A N ASP 330.A O no hydrogen 3.264 N/A THR 333.A OG1 VAL 327.A O no hydrogen 2.887 N/A THR 333.A OG1 ASP 330.A O no hydrogen 3.444 N/A SER 334.A OG ASP 330.A O no hydrogen 3.569 N/A ARG 336.A N THR 333.A O no hydrogen 3.100 N/A ASP 337.A N SER 334.A O no hydrogen 3.148 N/A ILE 339.A N ASP 337.A OD1 no hydrogen 3.305 N/A PHE 340.A N ASP 337.A O no hydrogen 2.902 N/A TYR 341.A N PRO 338.A O no hydrogen 3.099 N/A TYR 341.A OH LEU 335.A O no hydrogen 2.764 N/A TRP 343.A N ILE 339.A O no hydrogen 3.052 N/A TRP 343.A NE1 HIS 304.A O no hydrogen 3.140 N/A HIS 344.A N PHE 340.A O no hydrogen 2.980 N/A ARG 345.A N TYR 341.A O no hydrogen 2.948 N/A ARG 345.A NH2 ASP 192.A OD2 no hydrogen 2.985 N/A PHE 346.A N ASN 342.A O no hydrogen 3.198 N/A ILE 347.A N TRP 343.A O no hydrogen 2.889 N/A ASP 348.A N HIS 344.A O no hydrogen 2.650 N/A ASN 349.A N ARG 345.A O no hydrogen 2.906 N/A ILE 350.A N ILE 347.A O no hydrogen 3.260 N/A HIS 352.A N ASP 348.A O no hydrogen 2.823 N/A GLU 353.A N ASN 349.A O no hydrogen 2.906 N/A TYR 354.A N ILE 350.A O no hydrogen 3.234 N/A LYS 355.A N PHE 351.A O no hydrogen 2.910 N/A LYS 355.A NZ THR 281.A OG1 no hydrogen 3.300 N/A LYS 355.A NZ ASP 573.A OD2 no hydrogen 3.047 N/A ASN 356.A N HIS 352.A O no hydrogen 2.970 N/A THR 357.A N TYR 354.A O no hydrogen 2.941 N/A THR 357.A OG1 TYR 354.A O no hydrogen 2.732 N/A LEU 358.A N LYS 355.A O no hydrogen 3.040 N/A TYR 361.A OH ASP 573.A OD1 no hydrogen 2.777 N/A TYR 361.A OH ASP 573.A OD2 no hydrogen 3.345 N/A VAL 365.A N ASP 362.A O no hydrogen 2.779 N/A LEU 366.A N ASP 362.A O no hydrogen 3.232 N/A ASN 367.A N HIS 363.A O no hydrogen 2.769 N/A ASN 367.A ND2 ASN 588.A OD1 no hydrogen 3.369 N/A ILE 371.A N PHE 368.A O no hydrogen 3.278 N/A GLN 372.A N GLN 428.A O no hydrogen 2.901 N/A VAL 373.A N ASN 587.A O no hydrogen 2.933 N/A GLN 374.A N ASN 426.A O no hydrogen 2.765 N/A THR 377.A N ALA 424.A O no hydrogen 2.994 N/A LEU 378.A N ASN 384.A OD1 no hydrogen 2.789 N/A HIS 379.A N SER 422.A O no hydrogen 2.803 N/A ARG 381.A N GLU 419.A OE1 no hydrogen 3.072 N/A ASN 384.A N LEU 378.A O no hydrogen 2.649 N/A VAL 385.A N VAL 382.A O no hydrogen 3.264 N/A VAL 386.A N LYS 595.A O no hydrogen 3.076 N/A HIS 387.A ND1 GLU 419.A OE2 no hydrogen 2.818 N/A THR 388.A N LYS 597.A O no hydrogen 3.111 N/A THR 388.A OG1 LYS 522.A O no hydrogen 2.693 N/A PHE 389.A N ASP 417.A O no hydrogen 3.077 N/A ARG 391.A N HIS 415.A O no hydrogen 2.976 N/A ARG 391.A NH2 ASP 417.A OD2 no hydrogen 3.412 N/A GLN 393.A N TYR 413.A O no hydrogen 2.828 N/A LEU 395.A N ALA 411.A O no hydrogen 2.696 N/A LEU 397.A N ILE 409.A O no hydrogen 2.901 N/A LYS 398.A N GLU 396.A OE2 no hydrogen 3.202 N/A LYS 398.A NZ ARG 407.A O no hydrogen 3.187 N/A HIS 399.A ND1 GLU 13.A OE2 no hydrogen 2.883 N/A GLY 400.A N LEU 397.A O no hydrogen 3.080 N/A ILE 401.A N LEU 397.A O no hydrogen 2.948 N/A ALA 406.A N PRO 403.A O no hydrogen 2.945 N/A SER 408.A OG GLU 396.A OE1 no hydrogen 2.982 N/A ILE 409.A N GLU 396.A OE2 no hydrogen 3.177 N/A LYS 410.A N ILE 125.A O no hydrogen 3.036 N/A ALA 411.A N LEU 395.A O no hydrogen 2.870 N/A ARG 412.A N VAL 127.A O no hydrogen 2.902 N/A TYR 413.A N GLN 393.A O no hydrogen 2.830 N/A HIS 415.A N ARG 391.A O no hydrogen 2.924 N/A HIS 415.A ND1 LEU 416.A O no hydrogen 2.831 N/A HIS 415.A NE2 GLN 393.A OE1 no hydrogen 2.862 N/A ASP 417.A N PHE 389.A O no hydrogen 2.946 N/A HIS 418.A N ASP 417.A OD1 no hydrogen 2.925 N/A HIS 418.A ND1 GLU 419.A O no hydrogen 2.827 N/A HIS 418.A NE2 SER 516.A O no hydrogen 2.993 N/A GLU 419.A N HIS 387.A O no hydrogen 2.876 N/A PHE 421.A N SER 484.A OG no hydrogen 3.124 N/A SER 422.A N HIS 379.A O no hydrogen 2.945 N/A TYR 423.A N ARG 482.A O no hydrogen 2.843 N/A ALA 424.A N THR 377.A O no hydrogen 2.935 N/A VAL 425.A N VAL 480.A O no hydrogen 2.790 N/A ASN 426.A N ASP 375.A O no hydrogen 2.843 N/A VAL 427.A N ASN 478.A O no hydrogen 2.921 N/A GLN 428.A N GLN 372.A O no hydrogen 2.867 N/A GLN 428.A NE2 ASN 430.A OD1 no hydrogen 3.136 N/A ASN 429.A N GLY 476.A O no hydrogen 2.815 N/A ASN 429.A ND2 SER 433.A O no hydrogen 2.780 N/A ASN 429.A ND2 LEU 473.A O no hydrogen 2.989 N/A ASN 430.A N ASP 370.A O no hydrogen 2.886 N/A ASN 430.A ND2 ASP 370.A O no hydrogen 2.946 N/A SER 431.A N ASN 429.A OD1 no hydrogen 2.923 N/A SER 431.A OG ASN 429.A OD1 no hydrogen 2.957 N/A SER 433.A N SER 431.A OG no hydrogen 3.124 N/A LYS 435.A N LEU 473.A O no hydrogen 2.854 N/A HIS 436.A ND1 ASP 472.A OD1 no hydrogen 2.643 N/A ALA 437.A N THR 471.A O no hydrogen 2.945 N/A THR 438.A N THR 537.A O no hydrogen 2.925 N/A THR 438.A OG1 ASP 542.A OD2 no hydrogen 3.029 N/A VAL 439.A N PHE 469.A O no hydrogen 2.843 N/A ARG 440.A N MET 535.A O no hydrogen 2.909 N/A ARG 440.A NE THR 537.A OG1 no hydrogen 3.080 N/A ARG 440.A NH1 ASP 564.A OD2 no hydrogen 2.916 N/A ARG 440.A NH2 ASP 564.A OD1 no hydrogen 2.842 N/A ARG 440.A NH2 ASP 564.A OD2 no hydrogen 3.378 N/A ILE 441.A N ASP 467.A O no hydrogen 2.847 N/A PHE 442.A N PHE 533.A O no hydrogen 2.848 N/A LEU 443.A N ILE 464.A O no hydrogen 2.992 N/A ALA 444.A N HIS 531.A O no hydrogen 2.962 N/A LYS 446.A N GLU 529.A O no hydrogen 3.177 N/A LYS 446.A NZ GLU 529.A OE1 no hydrogen 3.207 N/A LYS 446.A NZ ASP 593.A OD2 no hydrogen 3.400 N/A ASP 448.A N ASN 452.A O no hydrogen 2.762 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.829 N/A LEU 450.A N ASP 448.A OD1 no hydrogen 3.097 N/A GLY 451.A N ASP 448.A O no hydrogen 2.997 N/A ASN 452.A N ASP 448.A OD1 no hydrogen 3.020 N/A ASN 452.A ND2 ASP 448.A OD1 no hydrogen 3.219 N/A ASN 452.A ND2 ASP 448.A OD2 no hydrogen 3.201 N/A ILE 454.A N LYS 446.A O no hydrogen 3.088 N/A LYS 455.A N GLU 458.A OE2 no hydrogen 2.962 N/A LYS 455.A NZ GLU 579.A OE2 no hydrogen 2.748 N/A ALA 456.A N GLU 579.A O no hydrogen 2.807 N/A GLU 458.A N LYS 455.A O no hydrogen 2.983 N/A LEU 459.A N LYS 455.A O no hydrogen 3.366 N/A LEU 459.A N ALA 456.A O no hydrogen 3.178 N/A ARG 460.A NE ASP 457.A O no hydrogen 3.411 N/A ARG 460.A NE ASP 457.A OD1 no hydrogen 3.054 N/A ARG 460.A NH2 ASN 356.A OD1 no hydrogen 2.941 N/A ARG 460.A NH2 ASP 457.A OD1 no hydrogen 3.306 N/A ARG 461.A N GLU 458.A O no hydrogen 3.083 N/A ARG 461.A NH2 ASN 349.A OD1 no hydrogen 2.636 N/A THR 462.A N LEU 459.A O no hydrogen 3.226 N/A THR 462.A OG1 GLU 458.A O no hydrogen 3.395 N/A ALA 463.A N LEU 459.A O no hydrogen 2.725 N/A ILE 464.A N LEU 443.A O no hydrogen 2.904 N/A GLU 465.A N GLN 186.A OE1 no hydrogen 2.792 N/A LEU 466.A N ILE 441.A O no hydrogen 2.828 N/A ASP 467.A N ILE 441.A O no hydrogen 3.304 N/A LYS 468.A N ASP 467.A OD1 no hydrogen 3.078 N/A LYS 468.A NZ ASP 564.A OD2 no hydrogen 2.922 N/A PHE 469.A N VAL 439.A O no hydrogen 3.089 N/A LYS 470.A NZ HIS 436.A ND1 no hydrogen 3.047 N/A LYS 470.A NZ ASP 472.A OD1 no hydrogen 2.899 N/A THR 471.A N ALA 437.A O no hydrogen 2.916 N/A LEU 473.A N LYS 435.A O no hydrogen 2.843 N/A HIS 474.A N ASN 478.A OD1 no hydrogen 3.018 N/A GLY 476.A N ASN 429.A O no hydrogen 2.850 N/A ASN 478.A N VAL 427.A O no hydrogen 2.889 N/A ASN 478.A ND2 VAL 427.A O no hydrogen 3.199 N/A ASN 478.A ND2 HIS 474.A O no hydrogen 3.043 N/A VAL 480.A N VAL 425.A O no hydrogen 2.831 N/A ARG 482.A N TYR 423.A O no hydrogen 3.099 N/A ARG 482.A NE ASP 467.A OD2 no hydrogen 2.940 N/A ARG 482.A NH2 ASP 467.A OD1 no hydrogen 2.927 N/A ARG 482.A NH2 ASP 467.A OD2 no hydrogen 3.525 N/A SER 484.A N PHE 421.A O no hydrogen 2.942 N/A SER 484.A OG PHE 421.A O no hydrogen 3.097 N/A ASP 486.A N HIS 483.A O no hydrogen 2.878 N/A SER 487.A N SER 484.A O no hydrogen 3.086 N/A SER 487.A OG LEU 466.A O no hydrogen 2.620 N/A SER 488.A N ASP 467.A OD1 no hydrogen 2.931 N/A SER 488.A OG ASP 467.A OD1 no hydrogen 3.294 N/A SER 488.A OG LYS 468.A O no hydrogen 3.262 N/A SER 488.A OG SER 553.A OG no hydrogen 3.046 N/A VAL 489.A N SER 487.A OG no hydrogen 3.262 N/A THR 490.A N SER 487.A O no hydrogen 3.369 N/A THR 490.A OG1 SER 487.A O no hydrogen 3.283 N/A LEU 491.A N TRP 514.A O no hydrogen 2.823 N/A SER 492.A N ASP 550.A OD1 no hydrogen 3.407 N/A SER 492.A N ASP 550.A OD2 no hydrogen 2.906 N/A SER 492.A OG ASP 550.A OD1 no hydrogen 2.614 N/A THR 496.A N ASP 499.A OD2 no hydrogen 3.144 N/A PHE 497.A N GLU 103.A OE1 no hydrogen 2.873 N/A ASP 499.A N THR 496.A OG1 no hydrogen 3.166 N/A LEU 500.A N THR 496.A O no hydrogen 3.099 N/A LEU 501.A N PHE 497.A O no hydrogen 2.938 N/A HIS 502.A N GLU 498.A O no hydrogen 3.006 N/A VAL 504.A N ASP 499.A O no hydrogen 2.945 N/A GLY 505.A N ASP 499.A O no hydrogen 2.861 N/A LEU 506.A N GLY 503.A O no hydrogen 3.234 N/A SER 511.A OG GLN 494.A OE1 no hydrogen 3.327 N/A TRP 514.A N VAL 489.A O no hydrogen 2.946 N/A TRP 514.A NE1 LEU 518.A O no hydrogen 2.992 N/A SER 516.A OG LEU 491.A O no hydrogen 2.907 N/A HIS 517.A NE2 ASP 146.A OD1 no hydrogen 3.013 N/A HIS 517.A NE2 ASP 146.A OD2 no hydrogen 3.215 N/A LEU 518.A N PRO 515.A O no hydrogen 2.929 N/A LEU 519.A N SER 516.A O no hydrogen 3.341 N/A LYS 522.A N GLU 194.A OE1 no hydrogen 3.007 N/A LYS 522.A NZ ASN 198.A OD1 no hydrogen 2.902 N/A GLY 523.A N SER 197.A OG no hydrogen 3.074 N/A ASN 524.A ND2 SER 197.A O no hydrogen 3.582 N/A GLY 527.A N ASN 524.A O no hydrogen 2.940 N/A MET 528.A N ILE 596.A O no hydrogen 2.804 N/A TYR 530.A N ILE 594.A O no hydrogen 2.903 N/A HIS 531.A N ALA 444.A O no hydrogen 2.773 N/A LEU 532.A N LYS 592.A O no hydrogen 2.810 N/A PHE 533.A N PHE 442.A O no hydrogen 2.868 N/A VAL 534.A N PHE 590.A O no hydrogen 2.942 N/A MET 535.A N ARG 440.A O no hydrogen 2.974 N/A LEU 536.A N ASN 588.A O no hydrogen 2.782 N/A THR 537.A N THR 438.A O no hydrogen 2.923 N/A THR 537.A OG1 ASP 542.A OD2 no hydrogen 2.699 N/A TRP 539.A N HIS 436.A O no hydrogen 3.098 N/A ASP 540.A N ASP 538.A OD1 no hydrogen 3.085 N/A LYS 541.A N ASP 538.A O no hydrogen 2.955 N/A ASP 542.A N ASP 538.A O no hydrogen 3.064 N/A ASP 542.A N TRP 539.A O no hydrogen 3.075 N/A LYS 543.A N TRP 539.A O no hydrogen 2.948 N/A LYS 543.A NZ ASP 540.A OD1 no hydrogen 3.300 N/A CYS 548.A N SER 507.A O no hydrogen 3.055 N/A VAL 549.A N GLU 508.A OE2 no hydrogen 3.028 N/A ASP 550.A N GLU 508.A OE1 no hydrogen 3.050 N/A VAL 552.A N VAL 549.A O no hydrogen 3.027 N/A SER 553.A N SER 488.A O no hydrogen 2.970 N/A SER 553.A OG GLU 465.A OE2 no hydrogen 2.668 N/A SER 553.A OG SER 488.A OG no hydrogen 3.046 N/A TYR 554.A N ALA 551.A O no hydrogen 3.072 N/A TYR 554.A OH GLN 186.A OE1 no hydrogen 2.619 N/A CYS 555.A N ALA 551.A O no hydrogen 3.010 N/A GLY 556.A N VAL 552.A O no hydrogen 2.754 N/A ARG 558.A N ALA 547.A O no hydrogen 2.971 N/A ARG 558.A NH2 LEU 88.A O no hydrogen 3.131 N/A HIS 560.A ND1 LYS 561.A O no hydrogen 2.664 N/A TYR 562.A N ASP 174.A OD2 no hydrogen 2.899 N/A TYR 562.A OH SER 553.A O no hydrogen 2.846 N/A ASP 564.A N TYR 562.A O no hydrogen 2.821 N/A LYS 565.A N ASP 542.A O no hydrogen 2.835 N/A LYS 566.A N ASP 564.A OD1 no hydrogen 3.301 N/A LYS 566.A NZ ASP 542.A OD1 no hydrogen 2.829 N/A MET 568.A N GLU 178.A OE2 no hydrogen 3.119 N/A PHE 570.A N PRO 567.A O no hydrogen 2.972 N/A PHE 572.A N GLY 569.A O no hydrogen 2.817 N/A ARG 574.A NH1 LYS 359.A O no hydrogen 2.760 N/A ARG 574.A NH2 GLU 277.A OE1 no hydrogen 3.245 N/A ILE 576.A N ASP 457.A OD1 no hydrogen 3.037 N/A HIS 580.A ND1 GLU 453.A OE2 no hydrogen 3.062 N/A ASP 583.A N HIS 580.A O no hydrogen 3.020 N/A PHE 584.A N ILE 581.A O no hydrogen 2.985 N/A ASN 588.A ND2 LEU 366.A O no hydrogen 2.838 N/A ASN 588.A ND2 LEU 536.A O no hydrogen 2.811 N/A MET 589.A N THR 586.A O no hydrogen 3.157 N/A PHE 590.A N VAL 534.A O no hydrogen 2.821 N/A LYS 592.A N LEU 532.A O no hydrogen 2.857 N/A LYS 592.A NZ ASP 375.A OD1 no hydrogen 3.351 N/A LYS 592.A NZ VAL 376.A O no hydrogen 2.984 N/A ILE 594.A N TYR 530.A O no hydrogen 2.899 N/A LYS 595.A N ASN 384.A O no hydrogen 3.270 N/A ILE 596.A N MET 528.A O no hydrogen 2.796 N/A LYS 597.A N VAL 386.A O no hydrogen 2.952 N/A PHE 598.A N ASN 524.A O no hydrogen 2.934 N/A HIS 599.A N THR 388.A O no hydrogen 2.816 N/A