Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 342.A OD2 no hydrogen 2.947 N/A LYS 3.A NZ GLU 1.A O no hydrogen 3.471 N/A SER 4.A N SER 2.A OG no hydrogen 3.014 N/A SER 4.A OG GLU 346.A OE1 no hydrogen 3.490 N/A SER 4.A OG GLU 346.A OE2 no hydrogen 2.671 N/A ALA 6.A N GLU 346.A OE2 no hydrogen 3.043 N/A VAL 7.A N SER 4.A OG no hydrogen 2.920 N/A GLY 8.A N SER 4.A O no hydrogen 3.056 N/A MET 9.A N PHE 5.A O no hydrogen 2.943 N/A PHE 10.A N ALA 6.A O no hydrogen 3.424 N/A LYS 11.A N GLY 8.A O no hydrogen 2.850 N/A GLY 12.A N MET 9.A O no hydrogen 3.120 N/A GLN 13.A N GLY 8.A O no hydrogen 2.867 N/A GLN 18.A NE2 ASP 342.A O no hydrogen 3.216 N/A VAL 19.A N THR 16.A O no hydrogen 2.923 N/A PHE 20.A N THR 16.A O no hydrogen 2.923 N/A TYR 22.A OH SER 327.A O no hydrogen 2.640 N/A ASN 27.A N GLN 30.A OE1 no hydrogen 3.017 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.934 N/A GLN 30.A N ASN 27.A OD1 no hydrogen 2.861 N/A THR 31.A N ASN 27.A O no hydrogen 3.049 N/A THR 31.A OG1 ASN 27.A O no hydrogen 3.146 N/A GLN 32.A N GLU 28.A O no hydrogen 3.020 N/A PHE 33.A N GLU 29.A O no hydrogen 2.858 N/A LEU 34.A N GLN 30.A O no hydrogen 2.956 N/A LYS 35.A N THR 31.A O no hydrogen 2.995 N/A GLU 36.A N GLN 32.A O no hydrogen 3.218 N/A LEU 37.A N PHE 33.A O no hydrogen 3.229 N/A LEU 37.A N LEU 34.A O no hydrogen 2.939 N/A VAL 38.A N LEU 34.A O no hydrogen 2.898 N/A VAL 41.A N LEU 37.A O no hydrogen 3.091 N/A SER 42.A N VAL 38.A O no hydrogen 2.956 N/A SER 42.A OG VAL 38.A O no hydrogen 2.848 N/A ARG 43.A N GLU 39.A O no hydrogen 2.883 N/A PHE 44.A N PRO 40.A O no hydrogen 2.945 N/A PHE 45.A N VAL 41.A O no hydrogen 3.172 N/A GLU 46.A N SER 42.A O no hydrogen 2.927 N/A GLU 47.A N ARG 43.A O no hydrogen 2.735 N/A VAL 48.A N PHE 44.A O no hydrogen 2.816 N/A ASN 49.A N PHE 44.A O no hydrogen 3.077 N/A ASN 49.A ND2 ASP 103.A OD2 no hydrogen 2.890 N/A LYS 53.A N ASP 50.A OD1 no hydrogen 3.054 N/A ASN 54.A N ASP 50.A O no hydrogen 3.075 N/A ASN 54.A ND2 ASN 49.A OD1 no hydrogen 2.852 N/A ASN 54.A ND2 ASP 103.A OD2 no hydrogen 2.817 N/A ASP 55.A N PRO 51.A O no hydrogen 3.046 N/A ALA 56.A N ALA 52.A O no hydrogen 2.989 N/A LEU 57.A N LYS 53.A O no hydrogen 2.835 N/A GLU 58.A N ASP 55.A O no hydrogen 3.332 N/A MET 59.A N ASN 54.A O no hydrogen 3.252 N/A GLU 61.A N ASN 54.A OD1 no hydrogen 3.201 N/A TRP 65.A N GLU 61.A O no hydrogen 2.941 N/A GLN 66.A N GLU 62.A O no hydrogen 2.852 N/A GLN 66.A NE2 GLU 62.A OE2 no hydrogen 2.669 N/A GLY 67.A N THR 63.A O no hydrogen 2.849 N/A LEU 68.A N THR 64.A O no hydrogen 2.854 N/A LYS 69.A N TRP 65.A O no hydrogen 3.150 N/A GLU 70.A N GLN 66.A O no hydrogen 3.014 N/A LEU 71.A N GLY 67.A O no hydrogen 2.906 N/A GLY 72.A N LYS 69.A O no hydrogen 3.096 N/A ALA 73.A N LEU 68.A O no hydrogen 3.050 N/A GLY 75.A N GLY 72.A O no hydrogen 3.126 N/A LEU 76.A N GLN 114.A OE1 no hydrogen 2.943 N/A VAL 78.A N GLY 75.A O no hydrogen 3.181 N/A SER 80.A OG GLU 81.A OE1 no hydrogen 3.477 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 3.018 N/A LEU 82.A N PRO 79.A O no hydrogen 2.955 N/A GLY 83.A N SER 80.A O no hydrogen 2.859 N/A GLY 84.A N PRO 79.A O no hydrogen 3.149 N/A VAL 85.A N GLY 75.A O no hydrogen 3.034 N/A LEU 87.A N LEU 76.A O no hydrogen 2.891 N/A CYS 88.A N GLN 91.A OE1 no hydrogen 2.928 N/A CYS 88.A SG GLN 91.A OE1 no hydrogen 3.494 N/A CYS 88.A SG ASP 337.A OD2 no hydrogen 3.501 N/A ASN 89.A N ASP 337.A OD1 no hydrogen 2.895 N/A ASN 89.A ND2 ASP 337.A OD1 no hydrogen 3.068 N/A THR 90.A N ASP 337.A OD2 no hydrogen 2.860 N/A THR 90.A OG1 SER 333.A OG no hydrogen 3.418 N/A THR 90.A OG1 ASP 337.A OD2 no hydrogen 2.813 N/A GLN 91.A NE2 GLN 30.A O no hydrogen 3.134 N/A TYR 92.A N CYS 88.A O no hydrogen 2.931 N/A TYR 92.A OH SER 115.A OG no hydrogen 2.677 N/A ALA 93.A N ASN 89.A O no hydrogen 2.803 N/A ARG 94.A N THR 90.A O no hydrogen 3.172 N/A ARG 94.A NH1 ARG 94.A O no hydrogen 2.904 N/A LEU 95.A N GLN 91.A O no hydrogen 3.263 N/A LEU 95.A N TYR 92.A O no hydrogen 3.107 N/A VAL 96.A N TYR 92.A O no hydrogen 2.828 N/A GLU 97.A N ALA 93.A O no hydrogen 3.046 N/A ILE 98.A N LEU 95.A O no hydrogen 2.971 N/A VAL 99.A N LEU 95.A O no hydrogen 3.259 N/A GLY 100.A N VAL 96.A O no hydrogen 2.835 N/A MET 101.A N GLU 97.A O no hydrogen 2.983 N/A HIS 102.A N ILE 98.A O no hydrogen 3.269 N/A HIS 102.A N VAL 99.A O no hydrogen 3.102 N/A ASP 103.A N VAL 99.A O no hydrogen 2.760 N/A VAL 106.A N ASP 103.A OD1 no hydrogen 3.092 N/A GLY 107.A N ASP 103.A O no hydrogen 2.926 N/A ILE 108.A N LEU 104.A O no hydrogen 2.802 N/A THR 109.A N GLY 105.A O no hydrogen 3.157 N/A THR 109.A OG1 ASN 184.A OD1 no hydrogen 3.265 N/A LEU 110.A N VAL 106.A O no hydrogen 2.933 N/A GLY 111.A N GLY 107.A O no hydrogen 2.795 N/A ALA 112.A N ILE 108.A O no hydrogen 2.792 N/A HIS 113.A N THR 109.A O no hydrogen 3.209 N/A GLN 114.A N LEU 110.A O no hydrogen 2.935 N/A GLN 114.A NE2 ALA 73.A O no hydrogen 2.840 N/A GLN 114.A NE2 LEU 110.A O no hydrogen 3.126 N/A SER 115.A N GLY 111.A O no hydrogen 2.722 N/A SER 115.A OG TYR 92.A OH no hydrogen 2.677 N/A ILE 116.A N GLY 111.A O no hydrogen 3.262 N/A PHE 118.A N HIS 113.A O no hydrogen 3.046 N/A LYS 119.A NZ SER 115.A O no hydrogen 2.856 N/A LYS 119.A NZ ASN 271.A OD1 no hydrogen 2.859 N/A ILE 121.A N PHE 118.A O no hydrogen 2.899 N/A LEU 123.A N LYS 119.A O no hydrogen 2.971 N/A PHE 124.A N GLY 120.A O no hydrogen 2.739 N/A GLY 125.A N ILE 121.A O no hydrogen 2.930 N/A THR 126.A N GLN 129.A OE1 no hydrogen 3.065 N/A LYS 127.A NZ GLU 131.A OE1 no hydrogen 3.284 N/A LYS 127.A NZ GLU 131.A OE2 no hydrogen 2.956 N/A GLN 129.A N THR 126.A OG1 no hydrogen 3.206 N/A GLN 129.A NE2 GLU 252.A O no hydrogen 2.846 N/A GLN 129.A NE2 VAL 254.A O no hydrogen 2.789 N/A LYS 130.A N THR 126.A O no hydrogen 2.913 N/A LYS 130.A NZ LEU 122.A O no hydrogen 3.468 N/A GLU 131.A N LYS 127.A O no hydrogen 2.943 N/A LYS 132.A N ALA 128.A O no hydrogen 2.951 N/A LYS 132.A NZ TYR 133.A OH no hydrogen 3.253 N/A LYS 132.A NZ GLU 217.A OE2 no hydrogen 3.342 N/A TYR 133.A N GLN 129.A O no hydrogen 3.009 N/A TYR 133.A OH GLU 217.A OE2 no hydrogen 2.516 N/A LEU 134.A N LYS 130.A O no hydrogen 3.039 N/A LEU 137.A N TYR 133.A O no hydrogen 3.146 N/A ALA 138.A N LEU 134.A O no hydrogen 2.789 N/A SER 139.A N PRO 135.A O no hydrogen 3.207 N/A SER 139.A OG LYS 136.A O no hydrogen 3.419 N/A GLY 140.A N LEU 137.A O no hydrogen 3.066 N/A GLU 141.A N SER 139.A OG no hydrogen 3.157 N/A THR 142.A N LYS 136.A O no hydrogen 3.027 N/A ALA 145.A N ILE 190.A O no hydrogen 3.002 N/A CYS 147.A N THR 192.A O no hydrogen 2.746 N/A CYS 147.A SG ALA 145.A O no hydrogen 3.957 N/A GLU 150.A N SER 153.A O no hydrogen 2.920 N/A SER 152.A OG SER 153.A OG no hydrogen 2.814 N/A SER 153.A N GLU 150.A O no hydrogen 3.124 N/A SER 153.A OG SER 152.A OG no hydrogen 2.814 N/A SER 153.A OG SER 159.A OG no hydrogen 2.688 N/A ALA 157.A N SER 155.A O no hydrogen 3.204 N/A SER 159.A N ASP 156.A O no hydrogen 3.149 N/A SER 159.A OG SER 153.A OG no hydrogen 2.688 N/A SER 159.A OG ASP 156.A O no hydrogen 2.811 N/A ILE 160.A N ALA 157.A O no hydrogen 3.169 N/A ARG 161.A N GLU 150.A OE1 no hydrogen 2.774 N/A THR 162.A N GLU 150.A OE2 no hydrogen 2.991 N/A THR 162.A OG1 GLU 150.A OE2 no hydrogen 2.679 N/A SER 163.A N ASN 176.A O no hydrogen 2.846 N/A ALA 164.A N LYS 196.A O no hydrogen 2.805 N/A VAL 165.A N THR 174.A O no hydrogen 3.036 N/A SER 167.A N TYR 172.A O no hydrogen 2.904 N/A SER 167.A OG TYR 172.A O no hydrogen 3.155 N/A CYS 169.A SG SER 167.A OG no hydrogen 3.108 N/A GLY 170.A N SER 167.A O no hydrogen 2.837 N/A TYR 172.A N SER 167.A OG no hydrogen 3.299 N/A TYR 173.A N VAL 249.A O no hydrogen 2.690 N/A THR 174.A N VAL 165.A O no hydrogen 2.860 N/A LEU 175.A N VAL 247.A O no hydrogen 2.715 N/A ASN 176.A N SER 163.A O no hydrogen 2.925 N/A GLY 177.A N PHE 244.A O no hydrogen 2.954 N/A LYS 179.A N VAL 242.A O no hydrogen 2.876 N/A LYS 179.A NZ LEU 148.A O no hydrogen 2.863 N/A LYS 179.A NZ GLU 150.A OE2 no hydrogen 2.788 N/A LYS 179.A NZ PHE 194.A O no hydrogen 2.835 N/A LEU 180.A N THR 149.A O no hydrogen 2.907 N/A ILE 182.A N ALA 240.A O no hydrogen 2.981 N/A ASN 184.A N ASN 238.A O no hydrogen 2.847 N/A ASN 184.A ND2 THR 109.A O no hydrogen 3.006 N/A ASN 184.A ND2 ALA 144.A O no hydrogen 3.173 N/A GLY 185.A N ILE 182.A O no hydrogen 2.916 N/A GLY 186.A N ASN 238.A OD1 no hydrogen 2.756 N/A LEU 187.A N ASN 184.A O no hydrogen 2.920 N/A ALA 188.A N ASN 184.A O no hydrogen 2.761 N/A ASP 189.A N VAL 143.A O no hydrogen 2.945 N/A ILE 190.A N VAL 143.A O no hydrogen 3.103 N/A PHE 191.A N VAL 216.A O no hydrogen 2.858 N/A THR 192.A N ALA 145.A O no hydrogen 2.934 N/A THR 192.A OG1 GLY 117.A O no hydrogen 2.591 N/A VAL 193.A N PHE 214.A O no hydrogen 2.864 N/A PHE 194.A N CYS 147.A O no hydrogen 3.272 N/A ALA 195.A N THR 212.A O no hydrogen 3.021 N/A LYS 196.A N THR 162.A O no hydrogen 2.910 N/A LYS 196.A NZ ALA 158.A O no hydrogen 2.994 N/A LYS 196.A NZ ILE 160.A O no hydrogen 2.742 N/A THR 197.A N LYS 210.A O no hydrogen 2.820 N/A THR 197.A OG1 LYS 210.A O no hydrogen 3.478 N/A THR 197.A OG1 THR 212.A OG1 no hydrogen 2.810 N/A VAL 199.A N LYS 208.A O no hydrogen 2.633 N/A ASP 201.A N ALA 206.A O no hydrogen 2.920 N/A ALA 203.A N ASP 201.A OD2 no hydrogen 3.121 N/A THR 204.A N ASP 201.A OD2 no hydrogen 3.045 N/A THR 204.A OG1 ASP 201.A OD2 no hydrogen 3.181 N/A GLY 205.A N ASP 201.A O no hydrogen 2.765 N/A ALA 206.A N THR 204.A OG1 no hydrogen 3.130 N/A LYS 208.A N VAL 199.A O no hydrogen 2.944 N/A LYS 210.A N THR 197.A O no hydrogen 3.026 N/A THR 212.A N ALA 195.A O no hydrogen 2.778 N/A THR 212.A OG1 THR 197.A OG1 no hydrogen 2.810 N/A PHE 214.A N VAL 193.A O no hydrogen 2.839 N/A VAL 215.A N ASN 253.A O no hydrogen 2.879 N/A VAL 216.A N PHE 191.A O no hydrogen 2.833 N/A ARG 218.A N ASP 189.A O no hydrogen 2.855 N/A ARG 218.A NE ALA 188.A O no hydrogen 2.822 N/A ARG 218.A NH2 GLY 185.A O no hydrogen 2.983 N/A ARG 218.A NH2 ALA 188.A O no hydrogen 2.918 N/A PHE 220.A N GLU 217.A O no hydrogen 2.986 N/A GLY 221.A N ARG 218.A O no hydrogen 3.281 N/A THR 224.A N PHE 243.A O no hydrogen 3.194 N/A HIS 225.A ND1 GLY 226.A O no hydrogen 3.249 N/A GLY 226.A N GLU 241.A O no hydrogen 2.854 N/A GLU 229.A N THR 239.A O no hydrogen 2.903 N/A LYS 230.A NZ GLU 58.A OE1 no hydrogen 3.560 N/A LYS 231.A NZ ILE 234.A O no hydrogen 3.446 N/A LYS 231.A NZ SER 237.A O no hydrogen 2.804 N/A LYS 231.A NZ THR 239.A OG1 no hydrogen 3.008 N/A ILE 234.A N ASP 386.A OD1 no hydrogen 2.748 N/A SER 237.A N ILE 234.A O no hydrogen 2.989 N/A SER 237.A OG ILE 234.A O no hydrogen 2.737 N/A ALA 240.A N ILE 182.A O no hydrogen 2.974 N/A VAL 242.A N LYS 179.A O no hydrogen 2.996 N/A PHE 243.A N THR 224.A O no hydrogen 2.783 N/A PHE 244.A N GLY 177.A O no hydrogen 2.830 N/A ASP 245.A N GLY 222.A O no hydrogen 2.801 N/A GLY 246.A N ASN 176.A OD1 no hydrogen 2.878 N/A VAL 247.A N LEU 175.A O no hydrogen 2.896 N/A VAL 249.A N TYR 173.A O no hydrogen 2.838 N/A SER 251.A N LYS 171.A O no hydrogen 2.841 N/A SER 251.A OG GLY 170.A O no hydrogen 2.479 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.753 N/A ASN 253.A N PRO 250.A O no hydrogen 2.818 N/A ASN 253.A ND2 TYR 133.A OH no hydrogen 2.901 N/A ASN 253.A ND2 VAL 215.A O no hydrogen 2.678 N/A VAL 254.A N SER 251.A O no hydrogen 3.379 N/A LEU 255.A N ALA 213.A O no hydrogen 2.889 N/A GLY 259.A N THR 212.A OG1 no hydrogen 2.723 N/A SER 260.A N GLU 257.A O no hydrogen 2.974 N/A GLY 261.A N ILE 211.A O no hydrogen 2.862 N/A VAL 264.A N SER 260.A O no hydrogen 3.015 N/A ALA 265.A N GLY 261.A O no hydrogen 2.873 N/A MET 266.A N PHE 262.A O no hydrogen 3.004 N/A HIS 267.A N LYS 263.A O no hydrogen 2.910 N/A ILE 268.A N VAL 264.A O no hydrogen 3.014 N/A LEU 269.A N ALA 265.A O no hydrogen 3.030 N/A ASN 270.A N MET 266.A O no hydrogen 2.878 N/A ASN 271.A N HIS 267.A O no hydrogen 2.832 N/A GLY 272.A N ILE 268.A O no hydrogen 2.933 N/A ARG 273.A N ASN 270.A O no hydrogen 3.168 N/A ARG 273.A NH2 GLU 394.A O no hydrogen 3.142 N/A GLY 275.A N GLY 272.A O no hydrogen 3.003 N/A MET 276.A N ARG 273.A O no hydrogen 3.121 N/A ALA 278.A N PHE 274.A O no hydrogen 3.154 N/A ALA 279.A N GLY 275.A O no hydrogen 2.833 N/A LEU 280.A N MET 276.A O no hydrogen 2.933 N/A ALA 281.A N ALA 277.A O no hydrogen 2.884 N/A GLY 282.A N ALA 278.A O no hydrogen 3.417 N/A THR 283.A N ALA 279.A O no hydrogen 2.945 N/A THR 283.A OG1 GLY 100.A O no hydrogen 2.781 N/A THR 283.A OG1 ALA 279.A O no hydrogen 3.261 N/A MET 284.A N LEU 280.A O no hydrogen 2.902 N/A ARG 285.A N ALA 281.A O no hydrogen 2.966 N/A ARG 285.A NH2 GLU 326.A OE2 no hydrogen 2.845 N/A GLY 286.A N GLY 282.A O no hydrogen 3.085 N/A ILE 287.A N THR 283.A O no hydrogen 2.944 N/A ILE 288.A N MET 284.A O no hydrogen 2.790 N/A ALA 289.A N ARG 285.A O no hydrogen 3.147 N/A LYS 290.A N GLY 286.A O no hydrogen 3.169 N/A ALA 291.A N ILE 287.A O no hydrogen 2.990 N/A VAL 292.A N ILE 288.A O no hydrogen 2.824 N/A ASP 293.A N ALA 289.A O no hydrogen 2.938 N/A HIS 294.A N LYS 290.A O no hydrogen 2.961 N/A ALA 295.A N ALA 291.A O no hydrogen 2.921 N/A THR 296.A N VAL 292.A O no hydrogen 2.798 N/A THR 296.A OG1 VAL 292.A O no hydrogen 2.710 N/A ASN 297.A N ASP 293.A O no hydrogen 3.257 N/A ASN 297.A N HIS 294.A O no hydrogen 3.296 N/A ASN 297.A ND2 ASP 293.A O no hydrogen 3.016 N/A ARG 298.A N HIS 294.A O no hydrogen 2.997 N/A GLN 300.A N GLU 303.A O no hydrogen 3.043 N/A GLN 300.A NE2 THR 299.A O no hydrogen 2.901 N/A GLU 303.A N GLN 300.A O no hydrogen 3.313 N/A LYS 304.A NZ ASN 297.A O no hydrogen 2.930 N/A LYS 304.A NZ THR 299.A OG1 no hydrogen 2.787 N/A ILE 305.A N ARG 298.A O no hydrogen 2.906 N/A HIS 306.A N ALA 295.A O no hydrogen 3.286 N/A ASN 307.A N LYS 304.A O no hydrogen 3.061 N/A ASN 307.A ND2 LYS 304.A O no hydrogen 2.962 N/A PHE 308.A N ILE 305.A O no hydrogen 2.957 N/A GLN 312.A N PHE 308.A O no hydrogen 3.043 N/A GLN 312.A NE2 HIS 306.A O no hydrogen 3.018 N/A GLU 313.A N GLY 309.A O no hydrogen 2.874 N/A LYS 314.A N LEU 310.A O no hydrogen 3.160 N/A LYS 314.A NZ GLU 364.A OE1 no hydrogen 2.870 N/A LEU 315.A N ILE 311.A O no hydrogen 2.941 N/A ALA 316.A N GLN 312.A O no hydrogen 2.979 N/A ARG 317.A N GLU 313.A O no hydrogen 2.953 N/A ARG 317.A NE GLU 313.A OE2 no hydrogen 2.874 N/A ARG 317.A NH2 GLU 313.A OE2 no hydrogen 3.028 N/A ARG 317.A NH2 GLU 508.A OE1 no hydrogen 2.709 N/A ARG 317.A NH2 GLU 508.A OE2 no hydrogen 3.403 N/A MET 318.A N LYS 314.A O no hydrogen 3.050 N/A VAL 319.A N LEU 315.A O no hydrogen 3.067 N/A MET 320.A N ALA 316.A O no hydrogen 3.075 N/A LEU 321.A N ARG 317.A O no hydrogen 2.964 N/A GLN 322.A N MET 318.A O no hydrogen 2.947 N/A GLN 322.A NE2 ALA 281.A O no hydrogen 3.136 N/A GLN 322.A NE2 GLU 326.A OE2 no hydrogen 3.081 N/A TYR 323.A N VAL 319.A O no hydrogen 2.782 N/A TYR 323.A OH GLU 498.A OE1 no hydrogen 2.603 N/A VAL 324.A N MET 320.A O no hydrogen 2.906 N/A THR 325.A N LEU 321.A O no hydrogen 3.056 N/A THR 325.A OG1 LEU 321.A O no hydrogen 2.876 N/A GLU 326.A N GLN 322.A O no hydrogen 2.887 N/A SER 327.A N TYR 323.A O no hydrogen 2.874 N/A SER 327.A OG TYR 323.A O no hydrogen 2.710 N/A MET 328.A N VAL 324.A O no hydrogen 2.917 N/A ALA 329.A N THR 325.A O no hydrogen 2.951 N/A TYR 330.A N GLU 326.A O no hydrogen 3.147 N/A TYR 330.A OH GLU 97.A OE1 no hydrogen 2.555 N/A MET 331.A N SER 327.A O no hydrogen 3.084 N/A VAL 332.A N MET 328.A O no hydrogen 2.937 N/A SER 333.A N ALA 329.A O no hydrogen 3.036 N/A SER 333.A OG THR 90.A OG1 no hydrogen 3.418 N/A SER 333.A OG ALA 329.A O no hydrogen 3.353 N/A SER 333.A OG TYR 330.A O no hydrogen 3.305 N/A ALA 334.A N TYR 330.A O no hydrogen 3.058 N/A ASN 335.A N MET 331.A O no hydrogen 2.895 N/A ASN 335.A ND2 GLN 18.A O no hydrogen 3.616 N/A MET 336.A N VAL 332.A O no hydrogen 3.007 N/A ASP 337.A N SER 333.A O no hydrogen 2.930 N/A GLN 338.A N ALA 334.A O no hydrogen 2.822 N/A GLN 338.A N ASN 335.A O no hydrogen 3.257 N/A GLY 339.A N MET 336.A O no hydrogen 3.219 N/A ALA 340.A N ASN 335.A O no hydrogen 2.884 N/A GLU 346.A N GLU 346.A OE1 no hydrogen 2.670 N/A ALA 347.A N PHE 343.A O no hydrogen 2.777 N/A ALA 348.A N GLN 344.A O no hydrogen 3.027 N/A ILE 349.A N ILE 345.A O no hydrogen 2.854 N/A SER 350.A N GLU 346.A O no hydrogen 2.993 N/A SER 350.A OG ALA 347.A O no hydrogen 2.842 N/A LYS 351.A N ALA 347.A O no hydrogen 3.057 N/A LYS 351.A NZ PHE 390.A O no hydrogen 2.856 N/A LYS 351.A NZ PHE 393.A O no hydrogen 2.982 N/A LYS 351.A NZ GLY 395.A O no hydrogen 2.659 N/A LYS 351.A NZ ASN 397.A OD1 no hydrogen 2.756 N/A ILE 352.A N ALA 348.A O no hydrogen 2.988 N/A PHE 353.A N ILE 349.A O no hydrogen 2.815 N/A GLY 354.A N SER 350.A O no hydrogen 2.842 N/A SER 355.A N LYS 351.A O no hydrogen 3.079 N/A SER 355.A OG LYS 351.A O no hydrogen 2.831 N/A SER 355.A OG ILE 352.A O no hydrogen 3.158 N/A GLU 356.A N ILE 352.A O no hydrogen 3.121 N/A ALA 357.A N PHE 353.A O no hydrogen 2.791 N/A ALA 358.A N GLY 354.A O no hydrogen 2.868 N/A TRP 359.A N SER 355.A O no hydrogen 3.203 N/A LYS 360.A N GLU 356.A O no hydrogen 3.008 N/A VAL 361.A N ALA 357.A O no hydrogen 2.844 N/A THR 362.A N ALA 358.A O no hydrogen 2.992 N/A THR 362.A OG1 ALA 358.A O no hydrogen 2.963 N/A ASP 363.A N TRP 359.A O no hydrogen 2.891 N/A GLU 364.A N LYS 360.A O no hydrogen 2.961 N/A CYS 365.A N VAL 361.A O no hydrogen 2.906 N/A CYS 365.A SG ILE 287.A O no hydrogen 3.729 N/A ILE 366.A N THR 362.A O no hydrogen 3.062 N/A GLN 367.A N ASP 363.A O no hydrogen 3.187 N/A ILE 368.A N GLU 364.A O no hydrogen 2.852 N/A MET 369.A N CYS 365.A O no hydrogen 3.062 N/A GLY 370.A N GLN 367.A O no hydrogen 3.111 N/A GLY 373.A N GLY 370.A O no hydrogen 2.916 N/A PHE 374.A N GLY 371.A O no hydrogen 3.144 N/A MET 375.A N MET 372.A O no hydrogen 3.028 N/A GLY 379.A N LYS 376.A O no hydrogen 2.945 N/A VAL 383.A N GLY 379.A O no hydrogen 3.345 N/A LEU 384.A N VAL 380.A O no hydrogen 2.987 N/A ARG 385.A N GLU 381.A O no hydrogen 2.987 N/A ARG 385.A NE GLU 381.A OE1 no hydrogen 2.837 N/A ARG 385.A NH1 ASP 55.A OD1 no hydrogen 3.103 N/A ARG 385.A NH1 MET 232.A O no hydrogen 3.065 N/A ARG 385.A NH2 ASP 55.A OD2 no hydrogen 3.032 N/A ARG 385.A NH2 GLU 381.A OE2 no hydrogen 3.049 N/A ASP 386.A N ARG 382.A O no hydrogen 2.902 N/A LEU 387.A N VAL 383.A O no hydrogen 2.913 N/A ARG 388.A N ARG 385.A O no hydrogen 3.434 N/A ARG 388.A NH1 ARG 388.A O no hydrogen 2.917 N/A PHE 390.A N LEU 387.A O no hydrogen 3.019 N/A ARG 391.A N ARG 388.A O no hydrogen 3.452 N/A ILE 392.A N ILE 389.A O no hydrogen 2.823 N/A PHE 393.A N ILE 389.A O no hydrogen 2.981 N/A THR 396.A OG1 ASP 398.A OD2 no hydrogen 3.554 N/A ASN 397.A N ARG 391.A O no hydrogen 3.005 N/A ASN 397.A ND2 SER 355.A OG no hydrogen 2.930 N/A ASN 397.A ND2 GLU 356.A OE2 no hydrogen 3.120 N/A ILE 399.A N THR 396.A OG1 no hydrogen 3.073 N/A LEU 400.A N THR 396.A O no hydrogen 2.922 N/A ARG 401.A N ASN 397.A O no hydrogen 2.905 N/A ARG 401.A NE ASP 469.A OD1 no hydrogen 2.667 N/A ARG 401.A NH1 GLU 356.A OE2 no hydrogen 2.845 N/A ARG 401.A NH2 GLU 356.A OE1 no hydrogen 2.872 N/A ARG 401.A NH2 GLU 356.A OE2 no hydrogen 3.488 N/A ARG 401.A NH2 ASP 469.A OD1 no hydrogen 3.206 N/A LEU 402.A N ASP 398.A O no hydrogen 3.202 N/A PHE 403.A N ILE 399.A O no hydrogen 2.908 N/A VAL 404.A N LEU 400.A O no hydrogen 2.887 N/A ALA 405.A N ARG 401.A O no hydrogen 3.033 N/A LEU 406.A N LEU 402.A O no hydrogen 2.788 N/A GLN 407.A N PHE 403.A O no hydrogen 2.670 N/A GLY 408.A N VAL 404.A O no hydrogen 2.939 N/A CYS 409.A N ALA 405.A O no hydrogen 2.935 N/A CYS 409.A SG ALA 405.A O no hydrogen 3.269 N/A MET 410.A N GLN 407.A O no hydrogen 3.174 N/A LYS 412.A NZ GLU 447.A OE2 no hydrogen 2.947 N/A GLY 413.A N CYS 409.A O no hydrogen 2.804 N/A LYS 414.A N MET 410.A O no hydrogen 2.902 N/A GLU 415.A N ASP 411.A O no hydrogen 3.057 N/A LEU 416.A N LYS 412.A O no hydrogen 2.904 N/A SER 417.A N GLY 413.A O no hydrogen 2.721 N/A SER 417.A OG GLU 415.A O no hydrogen 3.199 N/A SER 417.A OG SER 417.A O no hydrogen 2.406 N/A SER 421.A N SER 419.A OG no hydrogen 2.911 N/A LEU 423.A N LEU 420.A O no hydrogen 2.875 N/A VAL 424.A N LEU 420.A O no hydrogen 2.967 N/A HIS 425.A N SER 485.A OG no hydrogen 2.773 N/A GLU 427.A N HIS 425.A ND1 no hydrogen 3.063 N/A LEU 428.A N HIS 425.A O no hydrogen 2.740 N/A SER 429.A N PRO 426.A O no hydrogen 3.222 N/A SER 429.A OG PRO 426.A O no hydrogen 3.210 N/A SER 431.A OG ASP 503.A OD1 no hydrogen 2.752 N/A GLY 432.A N LEU 428.A O no hydrogen 2.921 N/A GLU 433.A N SER 429.A O no hydrogen 2.987 N/A LEU 434.A N ARG 430.A O no hydrogen 2.936 N/A ALA 435.A N SER 431.A O no hydrogen 3.005 N/A VAL 436.A N GLY 432.A O no hydrogen 3.049 N/A ARG 437.A N GLU 433.A O no hydrogen 2.862 N/A ARG 437.A NE GLU 440.A OE1 no hydrogen 3.024 N/A ARG 437.A NH1 GLU 440.A OE1 no hydrogen 3.491 N/A ARG 437.A NH1 GLU 440.A OE2 no hydrogen 3.221 N/A ALA 438.A N LEU 434.A O no hydrogen 2.901 N/A LEU 439.A N ALA 435.A O no hydrogen 2.838 N/A GLU 440.A N VAL 436.A O no hydrogen 3.017 N/A GLN 441.A N ARG 437.A O no hydrogen 2.916 N/A PHE 442.A N ALA 438.A O no hydrogen 2.922 N/A ALA 443.A N LEU 439.A O no hydrogen 2.823 N/A THR 444.A N GLU 440.A O no hydrogen 3.053 N/A THR 444.A OG1 GLU 440.A O no hydrogen 2.865 N/A VAL 445.A N GLN 441.A O no hydrogen 3.360 N/A VAL 446.A N PHE 442.A O no hydrogen 3.058 N/A GLU 447.A N ALA 443.A O no hydrogen 2.966 N/A ALA 448.A N THR 444.A O no hydrogen 3.010 N/A LYS 449.A N VAL 445.A O no hydrogen 2.783 N/A LYS 449.A NZ LEU 520.A O no hydrogen 2.964 N/A LEU 450.A N VAL 446.A O no hydrogen 2.946 N/A ILE 451.A N GLU 447.A O no hydrogen 2.999 N/A LYS 452.A N ALA 448.A O no hydrogen 2.970 N/A HIS 453.A N LYS 449.A O no hydrogen 2.871 N/A LYS 454.A N LEU 450.A O no hydrogen 2.696 N/A LYS 454.A NZ ILE 451.A O no hydrogen 3.098 N/A ILE 457.A N LYS 454.A O no hydrogen 3.148 N/A VAL 458.A N LYS 455.A O no hydrogen 3.462 N/A ASN 459.A N GLY 456.A O no hydrogen 3.117 N/A GLU 460.A N ILE 457.A O no hydrogen 3.060 N/A LEU 464.A N GLU 460.A O no hydrogen 2.996 N/A GLN 465.A N GLN 461.A O no hydrogen 3.043 N/A GLN 465.A NE2 ASP 469.A OD2 no hydrogen 2.780 N/A ARG 466.A N PHE 462.A O no hydrogen 3.303 N/A ARG 466.A NH1 PHE 462.A O no hydrogen 3.051 N/A LEU 467.A N LEU 463.A O no hydrogen 2.846 N/A ALA 468.A N LEU 464.A O no hydrogen 2.852 N/A ASP 469.A N GLN 465.A O no hydrogen 3.063 N/A GLY 470.A N ARG 466.A O no hydrogen 3.204 N/A ALA 471.A N LEU 467.A O no hydrogen 2.916 N/A ILE 472.A N ALA 468.A O no hydrogen 2.821 N/A ASP 473.A N ASP 469.A O no hydrogen 3.060 N/A LEU 474.A N GLY 470.A O no hydrogen 2.876 N/A TYR 475.A N ALA 471.A O no hydrogen 2.911 N/A ALA 476.A N ILE 472.A O no hydrogen 2.912 N/A MET 477.A N ASP 473.A O no hydrogen 2.991 N/A VAL 478.A N LEU 474.A O no hydrogen 3.235 N/A VAL 479.A N TYR 475.A O no hydrogen 2.958 N/A VAL 480.A N ALA 476.A O no hydrogen 3.167 N/A LEU 481.A N MET 477.A O no hydrogen 2.936 N/A SER 482.A N VAL 478.A O no hydrogen 2.913 N/A SER 482.A OG VAL 19.A O no hydrogen 2.639 N/A ARG 483.A N VAL 479.A O no hydrogen 3.026 N/A ARG 483.A NH1 GLU 326.A OE1 no hydrogen 2.794 N/A ARG 483.A NH1 SER 327.A OG no hydrogen 3.013 N/A ARG 483.A NH2 GLU 326.A OE1 no hydrogen 3.094 N/A ALA 484.A N VAL 480.A O no hydrogen 2.969 N/A SER 485.A N LEU 481.A O no hydrogen 2.928 N/A SER 485.A OG LEU 481.A O no hydrogen 2.740 N/A ARG 486.A N SER 482.A O no hydrogen 2.997 N/A ARG 486.A NH1 TYR 22.A O no hydrogen 2.942 N/A ARG 486.A NH1 PRO 23.A O no hydrogen 3.110 N/A SER 487.A N ARG 483.A O no hydrogen 3.031 N/A SER 487.A OG GLU 498.A OE2 no hydrogen 2.628 N/A LEU 488.A N ALA 484.A O no hydrogen 2.846 N/A SER 489.A N SER 485.A O no hydrogen 2.797 N/A SER 489.A OG SER 485.A O no hydrogen 3.062 N/A GLU 490.A N ARG 486.A O no hydrogen 2.870 N/A GLY 491.A N LEU 488.A O no hydrogen 3.076 N/A HIS 492.A N SER 487.A O no hydrogen 2.997 N/A THR 494.A N HIS 492.A ND1 no hydrogen 3.210 N/A THR 494.A OG1 HIS 492.A ND1 no hydrogen 2.954 N/A THR 494.A OG1 GLU 498.A OE2 no hydrogen 2.727 N/A ALA 495.A N HIS 492.A O no hydrogen 2.918 N/A GLN 496.A NE2 GLU 427.A OE1 no hydrogen 3.031 N/A GLU 498.A N THR 494.A O no hydrogen 2.986 N/A LYS 499.A N ALA 495.A O no hydrogen 2.835 N/A LYS 499.A NZ GLU 427.A OE1 no hydrogen 2.756 N/A LYS 499.A NZ GLN 496.A OE1 no hydrogen 3.094 N/A MET 500.A N GLN 496.A O no hydrogen 3.126 N/A LEU 501.A N HIS 497.A O no hydrogen 2.879 N/A CYS 502.A N GLU 498.A O no hydrogen 2.836 N/A ASP 503.A N LYS 499.A O no hydrogen 2.851 N/A THR 504.A N MET 500.A O no hydrogen 2.893 N/A THR 504.A OG1 MET 500.A O no hydrogen 2.666 N/A TRP 505.A N LEU 501.A O no hydrogen 2.946 N/A CYS 506.A N CYS 502.A O no hydrogen 2.944 N/A CYS 506.A SG CYS 502.A O no hydrogen 3.408 N/A ILE 507.A N ASP 503.A O no hydrogen 2.987 N/A ALA 509.A N TRP 505.A O no hydrogen 2.832 N/A ALA 510.A N CYS 506.A O no hydrogen 2.855 N/A ALA 511.A N ILE 507.A O no hydrogen 3.341 N/A ARG 512.A N GLU 508.A O no hydrogen 2.978 N/A ARG 512.A NE ASP 473.A OD1 no hydrogen 3.403 N/A ARG 512.A NE ASP 473.A OD2 no hydrogen 2.796 N/A ARG 512.A NH2 ASP 473.A OD1 no hydrogen 2.812 N/A ILE 513.A N ALA 509.A O no hydrogen 2.980 N/A ARG 514.A N ALA 510.A O no hydrogen 2.792 N/A ARG 514.A NE GLU 515.A OE2 no hydrogen 2.933 N/A GLU 515.A N ALA 511.A O no hydrogen 2.874 N/A GLY 516.A N ARG 512.A O no hydrogen 2.762 N/A MET 517.A N ILE 513.A O no hydrogen 2.805 N/A ALA 518.A N ARG 514.A O no hydrogen 3.127 N/A ALA 519.A N GLU 515.A O no hydrogen 3.037 N/A LEU 520.A N GLY 516.A O no hydrogen 3.264 N/A GLN 521.A N MET 517.A O no hydrogen 2.991 N/A GLN 521.A N ALA 518.A O no hydrogen 3.187 N/A SER 522.A N ALA 518.A O no hydrogen 2.849 N/A SER 522.A OG ALA 518.A O no hydrogen 2.941 N/A TRP 525.A N ASP 523.A OD1 no hydrogen 2.861 N/A GLN 526.A N ASP 523.A O no hydrogen 3.216 N/A GLN 526.A NE2 TYR 530.A OH no hydrogen 3.088 N/A LEU 529.A N TRP 525.A O no hydrogen 2.958 N/A TYR 530.A N GLN 526.A O no hydrogen 3.044 N/A ARG 531.A N GLN 527.A O no hydrogen 3.098 N/A ASN 532.A N GLU 528.A O no hydrogen 2.944 N/A PHE 533.A N LEU 529.A O no hydrogen 2.809 N/A LYS 534.A N TYR 530.A O no hydrogen 3.240 N/A SER 535.A N ARG 531.A O no hydrogen 2.967 N/A SER 535.A OG ARG 531.A O no hydrogen 2.983 N/A ILE 536.A N ASN 532.A O no hydrogen 2.733 N/A SER 537.A N PHE 533.A O no hydrogen 3.077 N/A LYS 538.A N LYS 534.A O no hydrogen 2.895 N/A LYS 538.A NZ GLU 542.A OE2 no hydrogen 3.235 N/A ALA 539.A N SER 535.A O no hydrogen 2.997 N/A LEU 540.A N ILE 536.A O no hydrogen 3.010 N/A VAL 541.A N SER 537.A O no hydrogen 2.941 N/A GLU 542.A N LYS 538.A O no hydrogen 3.022 N/A ARG 543.A N ALA 539.A O no hydrogen 3.227 N/A ARG 543.A NH1 ARG 543.A O no hydrogen 3.142 N/A GLY 544.A N LEU 540.A O no hydrogen 2.713 N/A GLY 544.A N VAL 541.A O no hydrogen 3.270 N/A GLY 545.A N LEU 540.A O no hydrogen 3.065 N/A SER 549.A OG ASN 550.A O no hydrogen 3.529 N/A ASN 550.A ND2 PHE 554.A OXT no hydrogen 2.797 N/A LEU 552.A N ASN 550.A OD1 no hydrogen 2.785 N/A GLY 553.A N ASN 550.A O no hydrogen 2.825 N/A