Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vw0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N LEU 171.A O no hydrogen 2.759 N/A GLN 5.A NE2 SER 170.A OG no hydrogen 2.600 N/A GLY 6.A N ILE 169.A O no hydrogen 3.121 N/A SER 8.A N ASP 167.A O no hydrogen 3.080 N/A TYR 9.A N ILE 166.A O no hydrogen 2.930 N/A LEU 11.A N GLY 164.A O no hydrogen 2.888 N/A ASN 13.A N ALA 162.A O no hydrogen 3.102 N/A ASN 13.A ND2 ASN 43.A OD1 no hydrogen 2.966 N/A SER 15.A N GLU 158.A OE2 no hydrogen 2.958 N/A SER 15.A OG GLU 158.A OE2 no hydrogen 2.554 N/A ILE 16.A N LEU 149.A O no hydrogen 2.931 N/A ILE 18.A N ALA 147.A O no hydrogen 2.927 N/A SER 19.A N ASP 17.A OD1 no hydrogen 2.880 N/A SER 19.A OG ASP 17.A OD1 no hydrogen 2.713 N/A SER 19.A OG ASP 17.A OD2 no hydrogen 3.260 N/A SER 19.A OG ALA 147.A O no hydrogen 3.551 N/A LEU 21.A N ILE 18.A O no hydrogen 3.049 N/A LEU 22.A N ILE 18.A O no hydrogen 3.166 N/A LEU 23.A N SER 19.A O no hydrogen 3.068 N/A LYS 25.A N LEU 22.A O no hydrogen 2.930 N/A LYS 25.A NZ ASP 24.A OD1 no hydrogen 3.035 N/A LYS 25.A NZ ASP 24.A OD2 no hydrogen 2.862 N/A LEU 26.A N LEU 23.A O no hydrogen 3.371 N/A SER 27.A N ASN 173.A OD1 no hydrogen 3.312 N/A SER 30.A OG SER 113.A OG no hydrogen 2.762 N/A GLN 31.A N SER 111.A O no hydrogen 3.039 N/A GLN 31.A NE2 GLY 28.A O no hydrogen 3.370 N/A GLN 31.A NE2 ASN 173.A OD1 no hydrogen 3.020 N/A THR 32.A N PHE 172.A O no hydrogen 3.146 N/A THR 32.A OG1 LYS 174.A O no hydrogen 2.635 N/A VAL 33.A N PHE 109.A O no hydrogen 2.974 N/A VAL 34.A N SER 170.A O no hydrogen 2.971 N/A MET 35.A N LEU 107.A O no hydrogen 2.974 N/A LYS 36.A N GLU 168.A O no hydrogen 2.867 N/A LYS 36.A NZ THR 106.A OG1 no hydrogen 2.965 N/A LYS 36.A NZ PRO 185.A O no hydrogen 2.992 N/A PHE 37.A N ASN 105.A O no hydrogen 3.123 N/A LYS 38.A N SER 165.A O no hydrogen 2.868 N/A ASN 43.A N GLN 46.A OE1 no hydrogen 3.041 N/A GLN 46.A N MET 67.A O no hydrogen 3.035 N/A GLN 46.A NE2 LYS 163.A O no hydrogen 3.158 N/A ALA 47.A N TYR 160.A O no hydrogen 2.992 N/A LEU 48.A N ILE 65.A O no hydrogen 2.904 N/A GLY 50.A N THR 148.A O no hydrogen 2.907 N/A LEU 51.A N PHE 63.A O no hydrogen 2.820 N/A SER 52.A N LYS 146.A O no hydrogen 3.124 N/A SER 52.A OG ASN 153.A O no hydrogen 2.665 N/A ASN 53.A N ASN 61.A O no hydrogen 2.913 N/A ASN 53.A ND2 ASN 142.A O no hydrogen 2.886 N/A SER 54.A N ASP 145.A OD1 no hydrogen 3.000 N/A SER 54.A OG ASP 145.A OD1 no hydrogen 2.663 N/A SER 54.A OG ASP 145.A OD2 no hydrogen 3.153 N/A LYS 55.A N ASN 53.A OD1 no hydrogen 3.107 N/A LYS 55.A NZ GLY 143.A O no hydrogen 3.052 N/A GLY 57.A N GLU 155.A OE2 no hydrogen 2.949 N/A PHE 58.A N LYS 55.A O no hydrogen 3.234 N/A ASN 61.A N PHE 58.A O no hydrogen 3.258 N/A ASN 61.A ND2 GLN 81.A OE1 no hydrogen 3.084 N/A ASN 61.A ND2 ASN 142.A O no hydrogen 2.994 N/A TYR 62.A OH GLU 76.A OE2 no hydrogen 2.818 N/A PHE 63.A N LEU 51.A O no hydrogen 2.800 N/A SER 64.A N GLU 76.A O no hydrogen 3.160 N/A ILE 65.A N PHE 49.A O no hydrogen 3.016 N/A PHE 66.A N GLY 74.A O no hydrogen 2.885 N/A MET 67.A N GLN 46.A O no hydrogen 2.949 N/A ARG 68.A N GLU 72.A O no hydrogen 3.135 N/A ASP 69.A N SER 44.A O no hydrogen 3.123 N/A GLY 71.A N ARG 68.A O no hydrogen 2.914 N/A ILE 73.A N ARG 90.A O no hydrogen 3.198 N/A GLY 74.A N PHE 66.A O no hydrogen 3.057 N/A VAL 75.A N PHE 88.A O no hydrogen 2.968 N/A GLU 76.A N SER 64.A O no hydrogen 3.050 N/A ILE 77.A N TYR 86.A O no hydrogen 2.989 N/A ARG 78.A N TYR 62.A O no hydrogen 2.988 N/A ARG 78.A NE ASN 85.A OD1 no hydrogen 2.913 N/A ARG 78.A NH1 TYR 62.A OH no hydrogen 2.973 N/A ARG 78.A NH2 ASN 85.A OD1 no hydrogen 3.555 N/A ASP 79.A N ILE 84.A O no hydrogen 2.952 N/A ALA 80.A N ASN 61.A OD1 no hydrogen 2.997 N/A GLN 81.A N ASP 79.A OD1 no hydrogen 3.047 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 3.293 N/A LYS 82.A NZ ASP 79.A OD2 no hydrogen 2.401 N/A LYS 82.A NZ ASN 140.A O no hydrogen 2.819 N/A ILE 84.A N ASP 79.A O no hydrogen 3.209 N/A TYR 86.A N ILE 77.A O no hydrogen 2.928 N/A TYR 86.A OH THR 134.A O no hydrogen 2.664 N/A PHE 88.A N VAL 75.A O no hydrogen 3.207 N/A SER 89.A OG GLU 72.A OE2 no hydrogen 3.065 N/A ARG 90.A N ILE 73.A O no hydrogen 3.118 N/A ARG 90.A NE PRO 91.A O no hydrogen 3.269 N/A ARG 90.A NH1 SER 643.A O no hydrogen 2.859 N/A ARG 90.A NH2 ALA 92.A O no hydrogen 3.126 N/A SER 93.A N GLY 71.A O no hydrogen 2.863 N/A SER 93.A OG ARG 90.A O no hydrogen 2.852 N/A SER 93.A OG PRO 91.A O no hydrogen 3.335 N/A TRP 95.A N ASN 105.A OD1 no hydrogen 3.107 N/A TRP 95.A NE1 GLN 647.A OE1 no hydrogen 2.976 N/A GLY 96.A N ASP 606.A OD2 no hydrogen 2.874 N/A LYS 97.A N ASP 606.A OD1 no hydrogen 2.715 N/A HIS 98.A N GLN 101.A O no hydrogen 2.981 N/A LYS 99.A N TYR 603.A OH no hydrogen 3.069 N/A LYS 99.A NZ ASP 650.A O no hydrogen 3.492 N/A GLN 101.A N HIS 98.A O no hydrogen 3.394 N/A VAL 103.A N GLY 96.A O no hydrogen 3.044 N/A ASN 105.A N PHE 37.A O no hydrogen 2.892 N/A ASN 105.A ND2 PHE 37.A O no hydrogen 3.577 N/A ASN 105.A ND2 TRP 95.A O no hydrogen 3.125 N/A THR 106.A N ASN 123.A OD1 no hydrogen 2.931 N/A LEU 107.A N MET 35.A O no hydrogen 2.884 N/A VAL 108.A N TYR 121.A O no hydrogen 2.833 N/A PHE 109.A N VAL 33.A O no hydrogen 3.082 N/A VAL 110.A N THR 119.A O no hydrogen 2.798 N/A SER 111.A N GLN 31.A O no hydrogen 2.849 N/A ASP 112.A N THR 117.A O no hydrogen 3.012 N/A SER 113.A N SER 30.A OG no hydrogen 3.041 N/A SER 113.A OG SER 30.A OG no hydrogen 2.762 N/A LYS 114.A N ASP 112.A OD1 no hydrogen 3.262 N/A THR 117.A N ASP 112.A O no hydrogen 3.070 N/A THR 117.A OG1 ASP 115.A O no hydrogen 3.113 N/A THR 117.A OG1 THR 131.A OG1 no hydrogen 2.946 N/A TYR 118.A N GLU 130.A O no hydrogen 2.975 N/A TYR 118.A OH LEU 136.A O no hydrogen 2.637 N/A THR 119.A N VAL 110.A O no hydrogen 2.951 N/A MET 120.A N PHE 128.A O no hydrogen 3.063 N/A TYR 121.A N VAL 108.A O no hydrogen 2.897 N/A TYR 121.A OH ASP 178.A OD1 no hydrogen 3.105 N/A VAL 122.A N ILE 125.A O no hydrogen 2.875 N/A ASN 123.A N THR 106.A O no hydrogen 2.763 N/A ASN 123.A ND2 ASN 105.A OD1 no hydrogen 3.102 N/A ILE 125.A N VAL 122.A O no hydrogen 2.982 N/A VAL 127.A N MET 120.A O no hydrogen 2.815 N/A GLU 130.A N TYR 118.A O no hydrogen 2.876 N/A THR 131.A OG1 THR 117.A OG1 no hydrogen 2.946 N/A VAL 132.A N LYS 116.A O no hydrogen 3.039 N/A LEU 136.A N TYR 118.A OH no hydrogen 3.011 N/A SER 139.A OG GLY 28.A O no hydrogen 3.198 N/A SER 139.A OG GLN 31.A OE1 no hydrogen 3.484 N/A ASN 140.A N PRO 137.A O no hydrogen 3.168 N/A ASN 142.A N ASP 79.A OD2 no hydrogen 2.848 N/A ASN 142.A ND2 GLN 81.A OE1 no hydrogen 2.407 N/A ILE 144.A N ILE 141.A O no hydrogen 3.499 N/A ASP 145.A N SER 52.A O no hydrogen 2.915 N/A LYS 146.A N SER 52.A O no hydrogen 3.104 N/A ALA 147.A N SER 19.A OG no hydrogen 3.110 N/A THR 148.A N GLY 50.A O no hydrogen 2.997 N/A LEU 149.A N ILE 16.A O no hydrogen 2.922 N/A GLY 150.A N LEU 48.A O no hydrogen 2.953 N/A VAL 152.A N HIS 159.A O no hydrogen 2.933 N/A ARG 154.A N LYS 157.A O no hydrogen 3.034 N/A ARG 154.A NE LYS 59.A O no hydrogen 2.810 N/A ARG 154.A NH2 LYS 59.A O no hydrogen 3.211 N/A ARG 154.A NH2 ASN 60.A OD1 no hydrogen 3.025 N/A GLY 156.A N ASN 153.A OD1 no hydrogen 3.176 N/A LYS 157.A N ARG 154.A O no hydrogen 2.946 N/A HIS 159.A N VAL 152.A O no hydrogen 2.868 N/A HIS 159.A ND1 LYS 157.A O no hydrogen 3.229 N/A ALA 162.A N GLY 150.A O no hydrogen 2.909 N/A LYS 163.A N GLN 46.A OE1 no hydrogen 2.889 N/A GLY 164.A N LEU 11.A O no hydrogen 2.994 N/A SER 165.A N LYS 38.A O no hydrogen 2.951 N/A ILE 166.A N TYR 9.A O no hydrogen 2.924 N/A GLU 168.A N LYS 36.A O no hydrogen 3.222 N/A ILE 169.A N GLY 6.A O no hydrogen 3.020 N/A SER 170.A N VAL 34.A O no hydrogen 2.955 N/A LEU 171.A N PHE 4.A O no hydrogen 3.144 N/A PHE 172.A N THR 32.A O no hydrogen 3.043 N/A ASN 173.A ND2 LYS 25.A O no hydrogen 3.075 N/A LYS 174.A NZ GLU 180.A OE2 no hydrogen 2.727 N/A ILE 176.A N THR 32.A OG1 no hydrogen 3.380 N/A SER 177.A N GLU 180.A OE1 no hydrogen 2.760 N/A SER 177.A OG GLU 180.A OE1 no hydrogen 2.576 N/A GLU 180.A N SER 177.A OG no hydrogen 3.324 N/A VAL 181.A N SER 177.A O no hydrogen 3.114 N/A SER 182.A N ASP 178.A O no hydrogen 3.333 N/A SER 182.A OG GLN 179.A O no hydrogen 2.858 N/A THR 183.A N GLU 180.A O no hydrogen 3.311 N/A THR 183.A OG1 GLU 180.A O no hydrogen 3.002 N/A ILE 184.A N VAL 181.A O no hydrogen 3.073 N/A SER 187.A OG GLU 104.A OE1 no hydrogen 3.225 N/A ASN 188.A ND2 ASN 123.A O no hydrogen 3.198 N/A GLN 191.A N TYR 648.A O no hydrogen 2.904 N/A GLN 191.A NE2 LYS 248.A O no hydrogen 3.109 N/A GLN 195.A N ASP 198.A OD2 no hydrogen 3.203 N/A SER 196.A N ASN 644.A OD1 no hydrogen 2.905 N/A SER 196.A OG ASN 203.A O no hydrogen 3.020 N/A SER 196.A OG ASN 203.A OD1 no hydrogen 2.726 N/A SER 196.A OG ASN 644.A OD1 no hydrogen 3.544 N/A ASP 198.A N GLN 195.A O no hydrogen 3.243 N/A SER 199.A OG PRO 253.A O no hydrogen 2.598 N/A THR 200.A N ASP 198.A OD1 no hydrogen 3.118 N/A THR 200.A OG1 ASP 198.A OD1 no hydrogen 2.705 N/A GLN 201.A N ASP 198.A O no hydrogen 2.991 N/A ALA 202.A N THR 200.A OG1 no hydrogen 3.302 N/A ASN 203.A ND2 TYR 204.A OH no hydrogen 3.187 N/A ASN 203.A ND2 VAL 267.A O no hydrogen 3.234 N/A TYR 204.A OH VAL 267.A O no hydrogen 3.323 N/A ARG 206.A N ASP 223.A O no hydrogen 3.197 N/A ARG 206.A NE GLU 630.A OE2 no hydrogen 2.747 N/A ARG 206.A NH2 GLU 630.A OE1 no hydrogen 3.152 N/A ARG 206.A NH2 GLU 630.A OE2 no hydrogen 3.397 N/A ILE 207.A N GLU 630.A OE2 no hydrogen 2.905 N/A THR 209.A N SER 221.A O no hydrogen 2.867 N/A THR 209.A OG1 SER 221.A O no hydrogen 3.340 N/A THR 209.A OG1 SER 221.A OG no hydrogen 2.578 N/A TYR 211.A N LEU 219.A O no hydrogen 2.928 N/A THR 212.A OG1 THR 618.A OG1 no hydrogen 2.860 N/A THR 212.A OG1 GLU 619.A O no hydrogen 2.769 N/A LEU 213.A N ARG 217.A O no hydrogen 2.800 N/A SER 214.A N GLU 293.A OE1 no hydrogen 2.860 N/A SER 214.A OG GLU 293.A OE1 no hydrogen 3.478 N/A SER 214.A OG GLU 293.A OE2 no hydrogen 3.495 N/A GLY 216.A N LEU 213.A O no hydrogen 2.816 N/A ARG 217.A N SER 215.A OG no hydrogen 3.200 N/A ARG 217.A NE ASP 244.A OD1 no hydrogen 3.083 N/A ARG 217.A NH1 ARG 428.A O no hydrogen 3.056 N/A ARG 217.A NH1 GLU 430.A OE2 no hydrogen 2.967 N/A ARG 217.A NH2 ASP 244.A OD2 no hydrogen 3.361 N/A ARG 217.A NH2 GLU 430.A OE2 no hydrogen 3.091 N/A VAL 218.A N SER 243.A O no hydrogen 2.955 N/A LEU 219.A N TYR 211.A O no hydrogen 2.942 N/A SER 220.A N SER 241.A O no hydrogen 2.810 N/A SER 220.A OG THR 209.A O no hydrogen 2.954 N/A SER 221.A N THR 209.A OG1 no hydrogen 2.856 N/A SER 221.A OG THR 209.A OG1 no hydrogen 2.578 N/A SER 221.A OG SER 289.A OG no hydrogen 2.806 N/A ILE 222.A N ALA 239.A O no hydrogen 3.141 N/A ASP 223.A N ARG 206.A O no hydrogen 2.942 N/A ALA 224.A N ASN 237.A O no hydrogen 2.840 N/A ARG 225.A N TYR 204.A O no hydrogen 2.924 N/A ARG 225.A NE ASP 223.A OD2 no hydrogen 3.004 N/A ARG 225.A NH1 THR 229.A O no hydrogen 3.073 N/A ARG 225.A NH1 ASP 231.A OD2 no hydrogen 2.818 N/A ARG 225.A NH2 ASP 223.A OD2 no hydrogen 2.826 N/A TYR 226.A N LYS 235.A O no hydrogen 3.028 N/A TYR 226.A OH THR 200.A O no hydrogen 2.767 N/A THR 229.A N HIS 641.A ND1 no hydrogen 3.060 N/A HIS 230.A NE2 LYS 276.A O no hydrogen 2.963 N/A SER 232.A OG SER 285.A OG no hydrogen 2.798 N/A LYS 235.A NZ PHE 259.A O no hydrogen 3.158 N/A LYS 235.A NZ TYR 262.A O no hydrogen 3.283 N/A LYS 235.A NZ GLU 264.A OE2 no hydrogen 3.225 N/A ASN 237.A N ALA 224.A O no hydrogen 3.166 N/A ASN 237.A ND2 TYR 226.A OH no hydrogen 3.241 N/A ASN 237.A ND2 GLU 264.A OE2 no hydrogen 3.273 N/A ILE 238.A N MET 257.A O no hydrogen 3.025 N/A ALA 239.A N ILE 222.A O no hydrogen 3.126 N/A THR 240.A N ILE 254.A O no hydrogen 2.931 N/A SER 241.A N SER 220.A O no hydrogen 3.068 N/A SER 241.A OG SER 251.A O no hydrogen 2.768 N/A SER 241.A OG SER 251.A OG no hydrogen 3.395 N/A TYR 242.A N SER 251.A OG no hydrogen 3.091 N/A SER 243.A N VAL 218.A O no hydrogen 2.807 N/A SER 243.A OG ASP 245.A OD1 no hydrogen 3.036 N/A SER 243.A OG THR 249.A O no hydrogen 2.830 N/A ASP 245.A N SER 243.A OG no hydrogen 3.379 N/A GLY 247.A N SER 243.A OG no hydrogen 3.083 N/A LYS 248.A N ASP 245.A O no hydrogen 3.281 N/A THR 249.A N ASP 245.A OD1 no hydrogen 2.839 N/A THR 249.A OG1 ASP 245.A OD1 no hydrogen 3.478 N/A THR 249.A OG1 ASP 245.A OD2 no hydrogen 2.779 N/A TRP 250.A NE1 GLY 247.A O no hydrogen 3.156 N/A SER 251.A N TYR 242.A O no hydrogen 2.875 N/A SER 251.A OG SER 241.A OG no hydrogen 3.395 N/A SER 251.A OG TYR 242.A O no hydrogen 3.558 N/A ILE 254.A N THR 240.A O no hydrogen 3.100 N/A ALA 256.A N ILE 238.A O no hydrogen 2.886 N/A MET 257.A N ILE 238.A O no hydrogen 3.485 N/A LYS 258.A NZ PHE 259.A O no hydrogen 3.537 N/A LYS 258.A NZ ASN 260.A OD1 no hydrogen 2.462 N/A LYS 258.A NZ GLU 264.A OE1 no hydrogen 3.100 N/A LYS 258.A NZ GLU 264.A OE2 no hydrogen 2.845 N/A PHE 259.A N ASN 237.A OD1 no hydrogen 3.394 N/A ASN 260.A N TYR 407.A OH no hydrogen 2.747 N/A TYR 262.A OH GLU 394.A OE1 no hydrogen 2.551 N/A GLU 263.A N TYR 383.A O no hydrogen 2.977 N/A GLN 265.A NE2 VAL 385.A O no hydrogen 2.974 N/A TRP 269.A N TYR 204.A OH no hydrogen 2.969 N/A TRP 269.A NE1 SER 278.A O no hydrogen 2.909 N/A ARG 271.A NE LEU 640.A O no hydrogen 2.599 N/A ARG 271.A NH2 ASN 638.A O no hydrogen 2.865 N/A ARG 271.A NH2 LEU 640.A O no hydrogen 3.047 N/A LEU 275.A N ASP 272.A O no hydrogen 3.249 N/A LEU 275.A N ASP 272.A OD2 no hydrogen 3.060 N/A LYS 276.A N ASP 272.A O no hydrogen 2.938 N/A LYS 276.A NZ ASN 273.A OD1 no hydrogen 2.628 N/A LYS 276.A NZ ARG 637.A O no hydrogen 2.972 N/A SER 278.A N LEU 275.A O no hydrogen 2.899 N/A SER 278.A OG LEU 275.A O no hydrogen 2.664 N/A GLN 279.A NE2 ASP 231.A O no hydrogen 3.023 N/A GLN 279.A NE2 LYS 233.A O no hydrogen 2.834 N/A SER 281.A N GLU 394.A OE1 no hydrogen 3.363 N/A SER 281.A N GLU 394.A OE2 no hydrogen 2.791 N/A SER 281.A OG GLN 279.A O no hydrogen 2.811 N/A GLY 282.A N GLU 394.A OE1 no hydrogen 2.961 N/A SER 283.A OG ALA 284.A O no hydrogen 2.956 N/A ALA 284.A N ASP 261.A OD2 no hydrogen 2.921 N/A SER 285.A N MET 307.A O no hydrogen 2.925 N/A SER 285.A OG SER 232.A OG no hydrogen 2.798 N/A PHE 286.A N ILE 236.A O no hydrogen 3.225 N/A ILE 287.A N ASP 305.A O no hydrogen 3.121 N/A ASP 288.A N ASP 223.A OD1 no hydrogen 3.146 N/A SER 289.A OG SER 221.A OG no hydrogen 2.806 N/A SER 290.A N LEU 303.A O no hydrogen 3.033 N/A SER 290.A OG CYS 452.A O no hydrogen 3.375 N/A ILE 291.A N GLY 454.A O no hydrogen 3.134 N/A VAL 292.A N ILE 301.A O no hydrogen 3.019 N/A ASP 294.A N LYS 299.A O no hydrogen 2.876 N/A LYS 295.A NZ LEU 459.A O no hydrogen 3.436 N/A SER 297.A N ASP 294.A OD2 no hydrogen 3.148 N/A SER 297.A OG ASP 294.A OD2 no hydrogen 2.572 N/A GLY 298.A N ASP 294.A O no hydrogen 2.793 N/A LYS 299.A N SER 297.A OG no hydrogen 3.177 N/A THR 300.A N SER 425.A O no hydrogen 3.108 N/A ILE 301.A N VAL 292.A O no hydrogen 2.874 N/A LEU 302.A N THR 423.A O no hydrogen 3.163 N/A LEU 303.A N SER 290.A O no hydrogen 3.106 N/A ALA 304.A N ALA 421.A O no hydrogen 3.143 N/A ASP 305.A N ILE 287.A O no hydrogen 3.055 N/A VAL 306.A N TYR 419.A O no hydrogen 2.921 N/A MET 307.A N SER 285.A O no hydrogen 2.827 N/A ALA 309.A N PHE 406.A O no hydrogen 3.057 N/A GLY 310.A N SER 283.A O no hydrogen 3.050 N/A ILE 311.A N PRO 308.A O no hydrogen 3.063 N/A GLY 312.A N ASN 315.A OD1 no hydrogen 2.823 N/A ASN 313.A ND2 TYR 450.A OH no hydrogen 3.308 N/A ASN 315.A ND2 GLY 310.A O no hydrogen 2.929 N/A ASN 317.A N PRO 416.A O no hydrogen 3.106 N/A ALA 319.A N ASN 317.A OD1 no hydrogen 3.144 N/A SER 321.A N GLU 444.A O no hydrogen 3.057 N/A SER 321.A OG GLU 444.A O no hydrogen 2.855 N/A GLY 322.A N ASP 320.A OD1 no hydrogen 2.838 N/A PHE 323.A N SER 321.A OG no hydrogen 3.148 N/A LYS 324.A N TYR 331.A O no hydrogen 2.830 N/A LYS 324.A NZ GLU 355.A OE1 no hydrogen 2.643 N/A GLU 325.A N GLU 444.A OE1 no hydrogen 2.860 N/A ILE 326.A N HIS 329.A O no hydrogen 2.905 N/A GLY 328.A N GLU 325.A OE2 no hydrogen 3.267 N/A HIS 329.A N ILE 326.A O no hydrogen 3.462 N/A TYR 331.A N LYS 324.A O no hydrogen 2.796 N/A TYR 331.A OH GLU 348.A OE2 no hydrogen 2.579 N/A LYS 333.A N GLY 322.A O no hydrogen 3.076 N/A LYS 333.A NZ ASP 320.A OD1 no hydrogen 3.026 N/A LYS 333.A NZ ASP 320.A OD2 no hydrogen 3.452 N/A LEU 334.A N TYR 344.A O no hydrogen 3.001 N/A LYS 335.A N LYS 413.A O no hydrogen 2.970 N/A ASN 337.A N LEU 411.A O no hydrogen 3.053 N/A ASP 339.A N LYS 336.A O no hydrogen 3.170 N/A ARG 343.A NE ASP 341.A OD1 no hydrogen 3.135 N/A TYR 344.A N LEU 334.A O no hydrogen 3.187 N/A THR 345.A N TYR 353.A O no hydrogen 3.155 N/A THR 345.A OG1 GLU 355.A OE2 no hydrogen 2.653 N/A VAL 346.A N LEU 332.A O no hydrogen 2.916 N/A ARG 347.A N VAL 351.A O no hydrogen 3.032 N/A ARG 347.A NE THR 345.A OG1 no hydrogen 2.866 N/A ARG 347.A NH2 GLU 355.A OE2 no hydrogen 3.033 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.929 N/A VAL 352.A N TYR 363.A O no hydrogen 3.108 N/A TYR 353.A N THR 345.A O no hydrogen 3.087 N/A TYR 353.A OH ASN 358.A O no hydrogen 2.832 N/A ASN 354.A N LYS 359.A O no hydrogen 2.831 N/A GLU 355.A N ARG 343.A O no hydrogen 2.834 N/A THR 356.A N ASN 354.A OD1 no hydrogen 2.914 N/A THR 357.A N ASN 354.A OD1 no hydrogen 3.198 N/A ASN 358.A ND2 TYR 353.A OH no hydrogen 2.665 N/A THR 361.A N VAL 352.A O no hydrogen 2.936 N/A THR 361.A OG1 VAL 352.A O no hydrogen 2.618 N/A TYR 363.A N THR 361.A OG1 no hydrogen 3.216 N/A THR 364.A N LEU 372.A O no hydrogen 3.022 N/A ILE 365.A N GLY 350.A O no hydrogen 2.646 N/A ASN 366.A N GLU 370.A O no hydrogen 2.999 N/A ASN 366.A ND2 GLU 370.A OE1 no hydrogen 2.933 N/A LYS 368.A N ASN 366.A OD1 no hydrogen 3.010 N/A TYR 369.A N ASN 366.A O no hydrogen 3.147 N/A GLU 370.A N ASN 366.A OD1 no hydrogen 2.750 N/A VAL 371.A N MET 403.A O no hydrogen 2.845 N/A LEU 372.A N THR 364.A O no hydrogen 2.805 N/A GLU 373.A N LYS 376.A O no hydrogen 2.694 N/A GLY 374.A N ASN 362.A O no hydrogen 2.887 N/A LYS 376.A N GLU 373.A O no hydrogen 2.946 N/A LEU 378.A N VAL 371.A O no hydrogen 3.156 N/A THR 379.A OG1 GLN 400.A OE1 no hydrogen 3.244 N/A VAL 380.A N VAL 401.A O no hydrogen 2.748 N/A GLN 382.A N LYS 399.A O no hydrogen 2.820 N/A GLN 382.A NE2 ASN 260.A O no hydrogen 2.958 N/A TYR 383.A N ASP 261.A O no hydrogen 3.139 N/A TYR 383.A OH ASP 409.A OD1 no hydrogen 2.563 N/A TYR 383.A OH ASP 409.A OD2 no hydrogen 3.111 N/A SER 384.A N ARG 395.A O no hydrogen 2.884 N/A SER 384.A OG GLU 263.A OE1 no hydrogen 2.594 N/A VAL 385.A N GLN 265.A OE1 no hydrogen 2.928 N/A ASP 386.A N ARG 393.A O no hydrogen 3.057 N/A ASP 388.A N ASP 386.A OD2 no hydrogen 2.858 N/A GLY 390.A N PHE 387.A O no hydrogen 3.120 N/A ARG 393.A N ASP 386.A O no hydrogen 2.940 N/A ARG 395.A N SER 384.A O no hydrogen 2.964 N/A HIS 396.A NE2 ASP 409.A OD2 no hydrogen 2.809 N/A ASN 397.A N GLN 382.A O no hydrogen 2.965 N/A ASN 397.A ND2 GLN 382.A OE1 no hydrogen 3.167 N/A ASN 397.A ND2 SER 384.A OG no hydrogen 2.806 N/A LYS 399.A N ASN 397.A OD1 no hydrogen 3.162 N/A VAL 401.A N VAL 380.A O no hydrogen 2.752 N/A MET 403.A N LEU 378.A O no hydrogen 2.968 N/A VAL 405.A N TYR 369.A O no hydrogen 3.013 N/A PHE 406.A N ASN 404.A OD1 no hydrogen 2.816 N/A TYR 407.A N ASN 404.A O no hydrogen 3.035 N/A SER 410.A OG PHE 412.A O no hydrogen 2.550 N/A PHE 412.A N SER 410.A OG no hydrogen 3.272 N/A LYS 413.A N LYS 335.A O no hydrogen 2.994 N/A LYS 413.A NZ LYS 408.A O no hydrogen 2.767 N/A VAL 414.A N VAL 405.A O no hydrogen 3.202 N/A THR 417.A N THR 415.A O no hydrogen 2.741 N/A THR 417.A OG1 ASN 317.A O no hydrogen 2.718 N/A THR 417.A OG1 ASP 320.A O no hydrogen 3.447 N/A THR 417.A OG1 ASN 418.A OD1 no hydrogen 3.490 N/A ASN 418.A ND2 GLY 448.A O no hydrogen 2.924 N/A TYR 419.A N VAL 306.A O no hydrogen 3.052 N/A TYR 419.A OH THR 415.A O no hydrogen 3.063 N/A ALA 421.A N ALA 304.A O no hydrogen 3.026 N/A MET 422.A N LYS 436.A O no hydrogen 2.963 N/A THR 423.A N LEU 302.A O no hydrogen 2.909 N/A THR 423.A OG1 GLU 433.A O no hydrogen 2.655 N/A SER 425.A N THR 300.A O no hydrogen 2.966 N/A SER 425.A OG ASN 427.A OD1 no hydrogen 2.873 N/A SER 425.A OG SER 431.A O no hydrogen 2.792 N/A ASN 427.A N SER 425.A OG no hydrogen 3.360 N/A ASN 427.A ND2 SER 431.A OG no hydrogen 3.020 N/A GLY 429.A N SER 425.A OG no hydrogen 2.900 N/A GLU 430.A N ASN 427.A O no hydrogen 3.414 N/A SER 431.A N ASN 427.A OD1 no hydrogen 2.952 N/A TRP 432.A NE1 THR 240.A OG1 no hydrogen 2.921 N/A GLU 433.A N THR 424.A O no hydrogen 2.941 N/A GLN 434.A NE2 PHE 435.A O no hydrogen 3.175 N/A LYS 436.A N MET 422.A O no hydrogen 3.024 N/A LEU 437.A N TYR 369.A OH no hydrogen 2.994 N/A LEU 438.A N ILE 420.A O no hydrogen 2.852 N/A LYS 445.A NZ ALA 319.A O no hydrogen 3.267 N/A HIS 446.A ND1 ASN 447.A O no hydrogen 2.714 N/A ASN 447.A N LYS 318.A O no hydrogen 3.129 N/A ASN 447.A ND2 ASN 418.A OD1 no hydrogen 2.942 N/A THR 449.A OG1 THR 469.A OG1 no hydrogen 2.786 N/A TYR 450.A N TYR 470.A O no hydrogen 2.773 N/A LEU 451.A N ASP 305.A OD1 no hydrogen 3.127 N/A CYS 452.A N ALA 468.A O no hydrogen 3.069 N/A CYS 452.A SG ALA 501.A O no hydrogen 4.035 N/A GLY 454.A N SER 289.A O no hydrogen 3.122 N/A GLN 455.A N GLN 504.A OE1 no hydrogen 2.840 N/A GLN 455.A NE2 LEU 210.A O no hydrogen 2.732 N/A GLY 456.A N ILE 291.A O no hydrogen 2.764 N/A LEU 457.A N ILE 466.A O no hydrogen 2.790 N/A LEU 459.A N ARG 464.A O no hydrogen 3.308 N/A LYS 460.A N GLU 507.A OE1 no hydrogen 2.856 N/A SER 461.A OG ASP 510.A OD2 no hydrogen 2.689 N/A ARG 464.A N SER 462.A OG no hydrogen 3.301 N/A ARG 464.A NE ASP 481.A OD1 no hydrogen 2.861 N/A ARG 464.A NH1 SER 532.A O no hydrogen 3.134 N/A ARG 464.A NH1 GLU 534.A OE2 no hydrogen 2.838 N/A ARG 464.A NH2 ASP 481.A OD2 no hydrogen 2.684 N/A ARG 464.A NH2 GLU 534.A OE2 no hydrogen 3.367 N/A LEU 465.A N SER 480.A O no hydrogen 2.834 N/A ILE 466.A N LEU 457.A O no hydrogen 3.070 N/A PHE 467.A N LEU 478.A O no hydrogen 2.958 N/A THR 469.A N THR 476.A O no hydrogen 3.040 N/A THR 469.A OG1 THR 449.A OG1 no hydrogen 2.786 N/A THR 469.A OG1 THR 476.A O no hydrogen 2.850 N/A TYR 470.A N TYR 450.A O no hydrogen 2.802 N/A THR 471.A N GLU 474.A O no hydrogen 3.181 N/A SER 472.A N THR 471.A OG1 no hydrogen 2.823 N/A GLU 474.A N THR 471.A O no hydrogen 3.495 N/A LEU 475.A N ALA 492.A O no hydrogen 2.939 N/A THR 476.A N THR 469.A O no hydrogen 2.889 N/A THR 476.A OG1 GLU 474.A OE2 no hydrogen 2.875 N/A TYR 477.A N SER 490.A O no hydrogen 2.838 N/A TYR 477.A OH THR 515.A OG1 no hydrogen 3.083 N/A LEU 478.A N PHE 467.A O no hydrogen 2.835 N/A ILE 479.A N LYS 488.A O no hydrogen 2.870 N/A SER 480.A N LEU 465.A O no hydrogen 2.906 N/A SER 480.A OG ASP 482.A OD1 no hydrogen 3.144 N/A SER 480.A OG THR 486.A O no hydrogen 2.842 N/A SER 483.A OG ASP 294.A OD2 no hydrogen 2.850 N/A GLY 484.A N SER 480.A OG no hydrogen 2.961 N/A GLN 485.A N ASP 482.A O no hydrogen 3.322 N/A GLN 485.A NE2 ASP 482.A O no hydrogen 3.322 N/A THR 486.A N ASP 482.A OD1 no hydrogen 2.962 N/A THR 486.A OG1 ASP 482.A OD1 no hydrogen 3.327 N/A THR 486.A OG1 ASP 482.A OD2 no hydrogen 2.991 N/A LYS 488.A N ILE 479.A O no hydrogen 3.006 N/A LYS 488.A NZ GLU 534.A OE2 no hydrogen 2.842 N/A LYS 489.A NZ SER 491.A OG no hydrogen 2.933 N/A SER 490.A N TYR 477.A O no hydrogen 2.854 N/A SER 490.A OG GLY 533.A O no hydrogen 2.967 N/A SER 490.A OG GLU 534.A O no hydrogen 3.013 N/A SER 491.A OG GLU 474.A OE2 no hydrogen 2.764 N/A ALA 492.A N LEU 475.A O no hydrogen 2.887 N/A ILE 494.A N GLY 473.A O no hydrogen 2.933 N/A GLN 504.A N PHE 516.A O no hydrogen 2.978 N/A GLN 504.A NE2 GLN 455.A O no hydrogen 3.394 N/A GLN 504.A NE2 ALA 503.A O no hydrogen 2.776 N/A VAL 506.A N ARG 514.A O no hydrogen 2.890 N/A LEU 508.A N VAL 512.A O no hydrogen 2.909 N/A ARG 509.A NE ASP 595.A OD1 no hydrogen 3.464 N/A ARG 509.A NE ASP 595.A OD2 no hydrogen 3.288 N/A ARG 509.A NH2 ASP 595.A OD2 no hydrogen 2.691 N/A GLY 511.A N GLU 507.A OE2 no hydrogen 3.063 N/A VAL 512.A N ARG 509.A O no hydrogen 2.815 N/A ILE 513.A N SER 529.A O no hydrogen 2.851 N/A ARG 514.A N VAL 506.A O no hydrogen 2.941 N/A ARG 514.A NE THR 528.A OG1 no hydrogen 3.052 N/A ARG 514.A NH1 ASP 595.A O no hydrogen 3.061 N/A ARG 514.A NH2 THR 528.A OG1 no hydrogen 3.155 N/A ARG 514.A NH2 ASP 595.A O no hydrogen 3.329 N/A THR 515.A N MET 527.A O no hydrogen 2.929 N/A THR 515.A OG1 TYR 477.A OH no hydrogen 3.083 N/A PHE 516.A N GLN 504.A O no hydrogen 2.918 N/A PHE 517.A N ALA 525.A O no hydrogen 2.982 N/A ARG 518.A N GLU 502.A O no hydrogen 3.108 N/A ARG 518.A NE TYR 550.A O no hydrogen 2.983 N/A ARG 518.A NH1 GLU 502.A OE2 no hydrogen 2.988 N/A ARG 518.A NH2 TYR 550.A O no hydrogen 2.909 N/A THR 519.A OG1 THR 521.A OG1 no hydrogen 2.983 N/A THR 519.A OG1 LYS 523.A O no hydrogen 2.910 N/A THR 521.A N THR 519.A OG1 no hydrogen 3.145 N/A THR 521.A OG1 THR 519.A OG1 no hydrogen 2.983 N/A LYS 523.A NZ ASP 543.A OD1 no hydrogen 2.239 N/A ALA 525.A N PHE 517.A O no hydrogen 3.025 N/A TYR 526.A N SER 540.A O no hydrogen 2.753 N/A MET 527.A N THR 515.A O no hydrogen 3.134 N/A THR 528.A N SER 537.A OG no hydrogen 3.072 N/A SER 529.A N ILE 513.A O no hydrogen 2.934 N/A SER 529.A OG THR 535.A O no hydrogen 2.965 N/A ARG 530.A NH1 ASP 595.A OD2 no hydrogen 3.110 N/A ASP 531.A N SER 529.A OG no hydrogen 3.206 N/A SER 532.A N GLY 511.A O no hydrogen 3.100 N/A GLY 533.A N SER 529.A OG no hydrogen 2.910 N/A THR 535.A OG1 ASP 531.A OD1 no hydrogen 2.858 N/A SER 537.A N THR 528.A O no hydrogen 2.829 N/A SER 537.A OG THR 528.A O no hydrogen 3.483 N/A SER 537.A OG LYS 538.A O no hydrogen 2.942 N/A SER 540.A N TYR 526.A O no hydrogen 2.952 N/A ILE 542.A N ILE 524.A O no hydrogen 2.923 N/A GLN 546.A N ASN 575.A OD1 no hydrogen 2.907 N/A GLN 547.A N GLY 522.A O no hydrogen 2.891 N/A GLN 547.A NE2 THR 552.A O no hydrogen 2.929 N/A GLN 547.A NE2 THR 573.A OG1 no hydrogen 2.920 N/A GLY 551.A N THR 548.A OG1 no hydrogen 3.124 N/A THR 552.A N GLN 547.A OE1 no hydrogen 2.914 N/A GLN 553.A NE2 PRO 453.A O no hydrogen 3.032 N/A GLN 553.A NE2 SER 615.A O no hydrogen 3.653 N/A SER 555.A N SER 572.A O no hydrogen 3.065 N/A SER 555.A OG SER 615.A O no hydrogen 3.188 N/A SER 555.A OG SER 615.A OG no hydrogen 2.799 N/A ILE 557.A N ILE 570.A O no hydrogen 3.077 N/A LYS 558.A NZ LEU 508.A O no hydrogen 3.119 N/A LYS 558.A NZ GLU 567.A OE1 no hydrogen 3.026 N/A TYR 559.A N ALA 568.A O no hydrogen 2.989 N/A TYR 559.A OH HIS 623.A O no hydrogen 2.934 N/A SER 560.A N GLU 619.A OE1 no hydrogen 2.854 N/A SER 560.A OG GLU 619.A OE1 no hydrogen 3.154 N/A SER 560.A OG GLU 619.A OE2 no hydrogen 2.652 N/A GLN 561.A NE2 SER 560.A OG no hydrogen 2.993 N/A ILE 563.A N LYS 566.A O no hydrogen 2.802 N/A LYS 566.A N ILE 563.A O no hydrogen 2.934 N/A LYS 566.A NZ ASP 564.A O no hydrogen 2.844 N/A VAL 569.A N GLY 588.A O no hydrogen 2.920 N/A ILE 570.A N ILE 557.A O no hydrogen 2.927 N/A LEU 571.A N VAL 586.A O no hydrogen 2.938 N/A SER 572.A N SER 555.A O no hydrogen 2.849 N/A SER 572.A OG TYR 612.A OH no hydrogen 2.763 N/A SER 572.A OG SER 615.A OG no hydrogen 2.634 N/A THR 573.A N GLN 584.A O no hydrogen 3.224 N/A THR 573.A OG1 PRO 574.A O no hydrogen 2.754 N/A ASN 575.A N GLY 582.A O no hydrogen 2.982 N/A ASN 575.A ND2 GLN 584.A OE1 no hydrogen 3.011 N/A SER 576.A N GLN 546.A O no hydrogen 2.921 N/A SER 576.A OG GLY 579.A O no hydrogen 3.505 N/A SER 578.A N SER 576.A OG no hydrogen 3.011 N/A ARG 580.A N ASP 633.A OD2 no hydrogen 3.000 N/A ARG 580.A NE THR 552.A OG1 no hydrogen 3.051 N/A ARG 580.A NH1 SER 634.A OG no hydrogen 3.146 N/A ARG 580.A NH2 GLY 551.A O no hydrogen 3.049 N/A GLY 582.A N TYR 610.A O no hydrogen 3.224 N/A GLN 584.A N THR 573.A O no hydrogen 2.896 N/A LEU 585.A N TYR 603.A O no hydrogen 3.181 N/A VAL 586.A N LEU 571.A O no hydrogen 2.944 N/A VAL 587.A N TYR 601.A O no hydrogen 2.975 N/A GLY 588.A N VAL 569.A O no hydrogen 2.838 N/A LEU 589.A N ASP 598.A O no hydrogen 2.875 N/A VAL 590.A N GLU 567.A O no hydrogen 2.879 N/A ASN 591.A N SER 596.A O no hydrogen 2.848 N/A LYS 592.A NZ GLU 567.A OE2 no hydrogen 3.411 N/A GLU 593.A N ASN 591.A OD1 no hydrogen 2.695 N/A ASP 594.A N ASN 591.A OD1 no hydrogen 3.257 N/A ASP 595.A N ASN 591.A O no hydrogen 2.899 N/A SER 596.A N ASP 594.A OD1 no hydrogen 3.063 N/A SER 596.A OG ASP 594.A OD1 no hydrogen 2.559 N/A SER 596.A OG ASP 594.A OD2 no hydrogen 3.266 N/A ASP 598.A N LEU 589.A O no hydrogen 2.891 N/A LYS 600.A N VAL 587.A O no hydrogen 3.062 N/A LYS 600.A NZ ASP 564.A OD2 no hydrogen 2.858 N/A LYS 600.A NZ TYR 601.A OH no hydrogen 3.273 N/A TYR 601.A N VAL 587.A O no hydrogen 3.476 N/A TYR 601.A OH ASP 564.A OD2 no hydrogen 2.505 N/A HIS 602.A ND1 GLN 584.A OE1 no hydrogen 3.180 N/A TYR 603.A N LEU 585.A O no hydrogen 2.855 N/A ILE 605.A N GLY 583.A O no hydrogen 2.970 N/A LEU 607.A N ASP 606.A OD1 no hydrogen 2.658 N/A SER 609.A OG ASP 69.A O no hydrogen 2.513 N/A TYR 610.A N LEU 607.A O no hydrogen 3.040 N/A TYR 612.A N ARG 580.A O no hydrogen 3.010 N/A TYR 612.A OH SER 572.A OG no hydrogen 2.763 N/A ALA 613.A N GLU 630.A O no hydrogen 2.921 N/A TYR 614.A N GLU 630.A OE1 no hydrogen 3.293 N/A TYR 614.A OH GLU 502.A OE1 no hydrogen 2.535 N/A SER 615.A N GLN 553.A OE1 no hydrogen 2.943 N/A SER 615.A OG SER 555.A OG no hydrogen 2.799 N/A SER 615.A OG SER 572.A OG no hydrogen 2.634 N/A ALA 616.A N LEU 628.A O no hydrogen 2.813 N/A THR 618.A N GLY 626.A O no hydrogen 3.052 N/A THR 618.A OG1 THR 212.A OG1 no hydrogen 2.860 N/A LEU 620.A N HIS 624.A O no hydrogen 2.860 N/A HIS 623.A N LEU 620.A O no hydrogen 3.022 N/A HIS 623.A ND1 GLU 619.A OE2 no hydrogen 2.750 N/A HIS 624.A N ASN 622.A OD1 no hydrogen 3.150 N/A HIS 624.A ND1 ASP 650.A OD2 no hydrogen 2.727 N/A ILE 625.A N LEU 651.A O no hydrogen 2.796 N/A GLY 626.A N THR 618.A O no hydrogen 2.968 N/A VAL 627.A N ILE 649.A O no hydrogen 3.015 N/A LEU 628.A N ALA 616.A O no hydrogen 3.072 N/A PHE 629.A N GLN 647.A O no hydrogen 3.051 N/A GLU 630.A N TYR 614.A O no hydrogen 2.944 N/A LYS 631.A N VAL 645.A O no hydrogen 2.827 N/A LYS 631.A NZ ASP 606.A OD2 no hydrogen 2.758 N/A ASP 633.A N GLU 639.A OE1 no hydrogen 2.978 N/A SER 634.A OG GLU 630.A OE1 no hydrogen 2.979 N/A TRP 635.A N ASP 633.A OD1 no hydrogen 2.925 N/A SER 636.A N ASP 633.A OD1 no hydrogen 2.972 N/A ARG 637.A NH2 ASN 277.A OD1 no hydrogen 2.942 N/A ASN 638.A N SER 636.A OG no hydrogen 3.093 N/A GLU 639.A N SER 636.A O no hydrogen 3.316 N/A HIS 641.A N THR 229.A OG1 no hydrogen 3.072 N/A HIS 641.A NE2 LYS 276.A O no hydrogen 2.918 N/A SER 643.A OG ASN 203.A O no hydrogen 2.904 N/A GLN 647.A N PHE 629.A O no hydrogen 3.064 N/A GLN 647.A NE2 ASN 644.A O no hydrogen 3.486 N/A TYR 648.A N GLN 191.A O no hydrogen 2.860 N/A ILE 649.A N VAL 627.A O no hydrogen 2.878 N/A LEU 651.A N ILE 625.A O no hydrogen 2.864 N/A GLU 652.A N ASP 655.A OD2 no hydrogen 3.171 N/A ASP 655.A N GLU 652.A O no hydrogen 3.008 N/A LEU 656.A N ILE 653.A O no hydrogen 3.099 N/A THR 657.A N ILE 653.A O no hydrogen 3.252 N/A