Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ae2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 197.A OE1 no hydrogen 3.178 N/A LYS 5.A NZ SER 85.A OG no hydrogen 3.195 N/A LYS 6.A NZ ASP 91.A OD1 no hydrogen 3.160 N/A LYS 6.A NZ ASP 92.A OD1 no hydrogen 3.040 N/A LYS 6.A NZ ASP 92.A OD2 no hydrogen 3.055 N/A ARG 7.A NH1 GLY 147.A O no hydrogen 2.795 N/A ARG 7.A NH2 GLY 147.A O no hydrogen 2.745 N/A ARG 7.A NH2 ASP 170.A OD1 no hydrogen 3.133 N/A GLN 8.A N GLN 8.A OE1 no hydrogen 2.914 N/A GLN 8.A NE2 ASP 92.A OD1 no hydrogen 3.551 N/A GLU 9.A N LYS 6.A O no hydrogen 3.202 N/A LEU 10.A N ARG 7.A O no hydrogen 2.913 N/A MET 11.A N ARG 7.A O no hydrogen 2.737 N/A LYS 12.A N GLY 17.A O no hydrogen 2.999 N/A LYS 12.A NZ TRP 16.A O no hydrogen 3.341 N/A LYS 12.A NZ TYR 18.A O no hydrogen 2.903 N/A LYS 12.A NZ SER 21.A O no hydrogen 2.608 N/A TYR 18.A N TYR 416.A OH no hydrogen 3.016 N/A ASN 19.A N LEU 10.A O no hydrogen 2.964 N/A ASN 19.A ND2 GLN 8.A O no hydrogen 2.890 N/A ASN 19.A ND2 GLU 9.A O no hydrogen 3.331 N/A SER 21.A N TYR 18.A O no hydrogen 3.223 N/A SER 21.A OG ASP 20.A OD1 no hydrogen 2.603 N/A LYS 22.A N THR 34.A OG1 no hydrogen 2.945 N/A PHE 24.A N GLU 32.A O no hydrogen 2.839 N/A ASN 26.A N GLN 30.A O no hydrogen 2.779 N/A ASN 26.A ND2 GLN 30.A OE1 no hydrogen 3.671 N/A GLY 29.A N ASN 26.A O no hydrogen 2.779 N/A GLU 32.A N PHE 24.A O no hydrogen 2.883 N/A THR 34.A N LYS 22.A O no hydrogen 2.790 N/A THR 34.A OG1 ASP 20.A O no hydrogen 2.650 N/A THR 34.A OG1 LYS 22.A O no hydrogen 3.443 N/A ARG 37.A NE ASP 20.A OD1 no hydrogen 3.109 N/A TYR 38.A N SER 41.A OG no hydrogen 2.987 N/A TYR 38.A OH GLU 217.A OE1 no hydrogen 3.416 N/A TYR 38.A OH GLU 217.A OE2 no hydrogen 2.458 N/A TYR 38.A OH TYR 416.A OH no hydrogen 2.758 N/A SER 41.A N TYR 38.A O no hydrogen 3.109 N/A SER 41.A OG TYR 38.A O no hydrogen 3.475 N/A GLY 42.A N LEU 33.A O no hydrogen 2.715 N/A VAL 43.A N LEU 40.A O no hydrogen 3.229 N/A LEU 45.A N LEU 31.A O no hydrogen 2.940 N/A PHE 48.A N LEU 45.A O no hydrogen 3.344 N/A TRP 51.A N THR 47.A O no hydrogen 3.022 N/A ILE 52.A N PHE 48.A O no hydrogen 2.849 N/A GLN 53.A N LYS 49.A O no hydrogen 2.979 N/A GLN 53.A NE2 ASN 59.A O no hydrogen 2.353 N/A ASN 54.A N ASP 50.A O no hydrogen 2.816 N/A THR 55.A N TRP 51.A O no hydrogen 2.816 N/A THR 55.A OG1 TRP 51.A O no hydrogen 2.872 N/A PHE 56.A N ILE 52.A O no hydrogen 2.822 N/A GLY 57.A N GLN 53.A O no hydrogen 2.912 N/A LYS 63.A NZ TYR 424.A OH no hydrogen 2.728 N/A THR 64.A OG1 TYR 425.A OH no hydrogen 3.425 N/A THR 66.A OG1 PRO 67.A O no hydrogen 3.466 N/A SER 69.A OG ASP 118.A O no hydrogen 2.750 N/A ILE 70.A N ASP 118.A OD1 no hydrogen 3.394 N/A PHE 75.A N ASN 72.A OD1 no hydrogen 3.056 N/A LEU 76.A N ASN 72.A O no hydrogen 3.070 N/A HIS 77.A N GLU 73.A O no hydrogen 2.971 N/A GLU 78.A N ASP 74.A O no hydrogen 2.904 N/A LEU 79.A N PHE 75.A O no hydrogen 2.729 N/A LYS 80.A N LEU 76.A O no hydrogen 2.852 N/A LYS 81.A N HIS 77.A O no hydrogen 3.356 N/A THR 82.A N LEU 79.A O no hydrogen 3.148 N/A THR 82.A OG1 LEU 79.A O no hydrogen 2.849 N/A ASN 83.A N LYS 80.A O no hydrogen 3.259 N/A ILE 84.A N THR 82.A OG1 no hydrogen 3.007 N/A SER 87.A N VAL 120.A O no hydrogen 2.901 N/A SER 87.A OG ASP 92.A OD2 no hydrogen 2.489 N/A GLN 88.A NE2 SER 69.A OG no hydrogen 2.738 N/A GLU 89.A N SER 87.A OG no hydrogen 2.899 N/A ARG 93.A N GLU 89.A O no hydrogen 2.986 N/A ARG 93.A NE PRO 117.A O no hydrogen 2.787 N/A ARG 93.A NH1 GLN 88.A O no hydrogen 3.061 N/A ARG 93.A NH2 PRO 67.A O no hydrogen 2.822 N/A VAL 94.A N ALA 90.A O no hydrogen 2.892 N/A PHE 95.A N ASP 91.A O no hydrogen 3.182 N/A ARG 96.A N ARG 93.A O no hydrogen 3.124 N/A ARG 96.A NE ASP 170.A OD2 no hydrogen 2.658 N/A ARG 96.A NH1 ASP 92.A O no hydrogen 3.040 N/A ARG 96.A NH2 LYS 5.A O no hydrogen 2.859 N/A ARG 96.A NH2 ASP 170.A OD2 no hydrogen 2.899 N/A ALA 97.A N VAL 94.A O no hydrogen 3.120 N/A GLY 99.A N GLU 104.A OE1 no hydrogen 3.266 N/A GLY 99.A N GLU 104.A OE2 no hydrogen 3.044 N/A HIS 100.A N SER 151.A O no hydrogen 2.643 N/A HIS 100.A ND1 GLY 149.A O no hydrogen 3.166 N/A CYS 101.A N GLU 104.A OE1 no hydrogen 2.975 N/A LEU 102.A N GLU 429.A OE1 no hydrogen 2.668 N/A ILE 105.A N CYS 101.A O no hydrogen 3.167 N/A PHE 106.A N LEU 102.A O no hydrogen 2.903 N/A LEU 107.A N HIS 103.A O no hydrogen 3.040 N/A LEU 108.A N GLU 104.A O no hydrogen 3.057 N/A ARG 109.A N ILE 105.A O no hydrogen 2.864 N/A GLU 110.A N PHE 106.A O no hydrogen 2.792 N/A ARG 115.A NE GLU 162.A O no hydrogen 2.749 N/A ARG 115.A NH1 ASP 118.A OD1 no hydrogen 3.412 N/A ARG 115.A NH1 ASP 118.A OD2 no hydrogen 3.057 N/A ARG 115.A NH2 ASP 118.A OD2 no hydrogen 2.953 N/A ARG 115.A NH2 GLU 162.A O no hydrogen 3.105 N/A ASP 118.A N ILE 166.A O no hydrogen 2.745 N/A ILE 119.A N ILE 166.A O no hydrogen 3.206 N/A VAL 120.A N SER 87.A O no hydrogen 2.792 N/A LEU 121.A N SER 168.A O no hydrogen 2.903 N/A TRP 122.A N SER 85.A O no hydrogen 3.094 N/A THR 124.A N ASP 128.A OD2 no hydrogen 2.901 N/A THR 124.A OG1 ASP 128.A OD2 no hydrogen 3.075 N/A VAL 129.A N CYS 125.A O no hydrogen 3.170 N/A VAL 130.A N HIS 126.A O no hydrogen 2.981 N/A LYS 131.A N ASP 127.A O no hydrogen 3.095 N/A ILE 132.A N ASP 128.A O no hydrogen 3.012 N/A VAL 133.A N VAL 129.A O no hydrogen 2.961 N/A ASN 134.A N VAL 130.A O no hydrogen 2.949 N/A LEU 135.A N LYS 131.A O no hydrogen 2.911 N/A ALA 136.A N ILE 132.A O no hydrogen 2.906 N/A CYS 137.A N VAL 133.A O no hydrogen 3.109 N/A CYS 137.A SG VAL 133.A O no hydrogen 3.470 N/A LYS 138.A N ASN 134.A O no hydrogen 3.040 N/A LYS 138.A NZ GLU 78.A OE2 no hydrogen 2.587 N/A TYR 139.A N LEU 135.A O no hydrogen 2.880 N/A TYR 139.A OH GLU 78.A OE2 no hydrogen 2.469 N/A LEU 141.A N ALA 136.A O no hydrogen 2.882 N/A CYS 142.A N THR 165.A O no hydrogen 2.941 N/A CYS 142.A SG ILE 554.A O no hydrogen 3.589 N/A ILE 143.A N ILE 554.A O no hydrogen 2.580 N/A ILE 144.A N ILE 167.A O no hydrogen 3.042 N/A ILE 146.A N LEU 169.A O no hydrogen 3.032 N/A SER 151.A OG SER 153.A OG no hydrogen 3.106 N/A SER 153.A N SER 151.A OG no hydrogen 3.188 N/A SER 153.A OG SER 151.A OG no hydrogen 3.106 N/A GLY 155.A N SER 151.A OG no hydrogen 3.189 N/A MET 157.A N TYR 154.A O no hydrogen 3.383 N/A GLU 162.A N PRO 159.A O no hydrogen 3.021 N/A ARG 164.A N GLU 162.A OE2 no hydrogen 2.871 N/A ARG 164.A NE GLU 162.A OE1 no hydrogen 3.489 N/A ARG 164.A NE GLU 162.A OE2 no hydrogen 2.782 N/A ARG 164.A NH1 THR 552.A O no hydrogen 3.070 N/A ARG 164.A NH1 ASN 553.A O no hydrogen 3.209 N/A ARG 164.A NH2 GLU 162.A OE1 no hydrogen 2.935 N/A ARG 164.A NH2 ASN 553.A O no hydrogen 2.652 N/A THR 165.A OG1 ILE 70.A O no hydrogen 2.829 N/A ILE 166.A N ASP 118.A OD2 no hydrogen 2.932 N/A ILE 167.A N CYS 142.A O no hydrogen 2.754 N/A SER 168.A N ILE 119.A O no hydrogen 2.768 N/A LEU 169.A N ILE 144.A O no hydrogen 3.156 N/A ASP 170.A N LEU 121.A O no hydrogen 2.971 N/A THR 171.A N ILE 146.A O no hydrogen 3.064 N/A THR 171.A OG1 ILE 146.A O no hydrogen 3.273 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.748 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.521 N/A SER 172.A OG GLN 173.A OE1 no hydrogen 2.772 N/A MET 174.A N THR 171.A O no hydrogen 2.806 N/A ASN 175.A ND2 SER 172.A O no hydrogen 2.765 N/A ARG 176.A N GLU 190.A OE1 no hydrogen 2.930 N/A LEU 178.A N HIS 188.A O no hydrogen 2.676 N/A TRP 179.A N HIS 188.A O no hydrogen 3.233 N/A ASP 181.A N THR 186.A O no hydrogen 2.682 N/A ASN 184.A N ASP 181.A OD1 no hydrogen 3.054 N/A ASN 184.A ND2 ASP 181.A OD2 no hydrogen 2.867 N/A THR 186.A N ASP 181.A O no hydrogen 3.107 N/A ALA 187.A N ILE 290.A O no hydrogen 2.794 N/A HIS 188.A N TRP 179.A O no hydrogen 2.805 N/A HIS 188.A ND1 THR 289.A OG1 no hydrogen 2.758 N/A HIS 188.A NE2 GLU 287.A OE1 no hydrogen 2.587 N/A VAL 189.A N ALA 288.A O no hydrogen 2.771 N/A GLU 190.A N ARG 176.A O no hydrogen 2.817 N/A ALA 191.A N THR 286.A O no hydrogen 2.868 N/A GLY 192.A N MET 174.A O no hydrogen 2.747 N/A ILE 193.A N GLU 190.A O no hydrogen 3.458 N/A THR 194.A OG1 GLY 1.A O no hydrogen 3.338 N/A GLY 195.A N SER 219.A O no hydrogen 2.947 N/A GLN 196.A N LEU 216.A O no hydrogen 2.944 N/A GLU 197.A N THR 194.A OG1 no hydrogen 3.127 N/A LEU 198.A N THR 194.A O no hydrogen 2.839 N/A GLU 199.A N GLY 195.A O no hydrogen 3.000 N/A ARG 200.A N GLN 196.A O no hydrogen 3.015 N/A ARG 200.A NE GLU 197.A OE1 no hydrogen 3.143 N/A ARG 200.A NH2 GLU 197.A OE1 no hydrogen 3.400 N/A ARG 200.A NH2 GLU 197.A OE2 no hydrogen 2.585 N/A GLN 201.A N GLU 197.A O no hydrogen 3.040 N/A LEU 202.A N LEU 198.A O no hydrogen 3.088 N/A LYS 203.A N GLU 199.A O no hydrogen 2.932 N/A GLU 204.A N ARG 200.A O no hydrogen 3.380 N/A GLU 204.A N GLN 201.A O no hydrogen 3.176 N/A SER 205.A N LEU 202.A O no hydrogen 2.954 N/A GLY 206.A N LYS 203.A O no hydrogen 2.982 N/A TYR 207.A N LEU 202.A O no hydrogen 2.936 N/A TYR 207.A OH GLU 182.A OE1 no hydrogen 2.298 N/A CYS 208.A N ARG 293.A O no hydrogen 2.847 N/A CYS 208.A SG ARG 293.A O no hydrogen 3.628 N/A THR 209.A N GLU 199.A OE2 no hydrogen 2.938 N/A THR 209.A OG1 GLU 199.A OE2 no hydrogen 2.614 N/A GLY 210.A N GLU 199.A OE1 no hydrogen 3.062 N/A HIS 211.A N THR 209.A OG1 no hydrogen 3.093 N/A SER 215.A OG SER 219.A OG no hydrogen 2.957 N/A LEU 216.A N PRO 213.A O no hydrogen 2.924 N/A PHE 218.A N SER 215.A O no hydrogen 2.815 N/A SER 219.A N SER 215.A O no hydrogen 2.966 N/A SER 219.A OG SER 215.A OG no hydrogen 2.957 N/A VAL 221.A N ILE 193.A O no hydrogen 3.172 N/A GLY 222.A N ALA 191.A O no hydrogen 2.904 N/A GLY 223.A N THR 220.A OG1 no hydrogen 3.032 N/A TRP 224.A N THR 220.A O no hydrogen 2.795 N/A TRP 224.A NE1 SER 219.A OG no hydrogen 2.911 N/A ILE 225.A N VAL 221.A O no hydrogen 3.003 N/A SER 226.A N GLY 222.A O no hydrogen 3.101 N/A SER 226.A OG GLY 222.A O no hydrogen 2.658 N/A THR 227.A N GLY 223.A O no hydrogen 3.015 N/A THR 227.A OG1 GLY 223.A O no hydrogen 3.070 N/A ARG 228.A N ILE 225.A O no hydrogen 3.523 N/A ALA 229.A N TRP 224.A O no hydrogen 2.919 N/A MET 232.A N GLU 212.A O no hydrogen 2.859 N/A LYS 233.A NZ GLU 212.A OE2 no hydrogen 2.578 N/A LYS 233.A NZ GLU 374.A OE1 no hydrogen 3.146 N/A LYS 233.A NZ GLU 374.A OE2 no hydrogen 2.726 N/A LYS 234.A N GLY 231.A O no hydrogen 3.176 N/A LYS 234.A NZ ASN 235.A OD1 no hydrogen 3.128 N/A LYS 234.A NZ THR 473.A O no hydrogen 2.782 N/A ASN 235.A ND2 PRO 326.A O no hydrogen 2.952 N/A ASN 235.A ND2 ALA 327.A O no hydrogen 3.645 N/A ILE 236.A N LYS 233.A O no hydrogen 2.915 N/A TYR 237.A N LYS 233.A O no hydrogen 3.091 N/A TYR 237.A OH GLU 374.A OE2 no hydrogen 2.573 N/A GLY 238.A N LYS 234.A O no hydrogen 2.831 N/A ASN 239.A N ASP 242.A OD2 no hydrogen 2.946 N/A ILE 240.A N ALA 229.A O no hydrogen 3.253 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.702 N/A ASP 242.A N ASN 239.A O no hydrogen 2.906 N/A LEU 243.A N ASN 239.A O no hydrogen 3.159 N/A LEU 243.A N ILE 240.A O no hydrogen 3.084 N/A VAL 244.A N ILE 240.A O no hydrogen 3.080 N/A VAL 245.A N THR 289.A O no hydrogen 2.868 N/A HIS 246.A NE2 LYS 258.A O no hydrogen 3.121 N/A LYS 248.A N GLU 287.A O no hydrogen 3.028 N/A VAL 249.A N ILE 256.A O no hydrogen 3.002 N/A VAL 250.A N VAL 284.A O no hydrogen 2.719 N/A THR 251.A N GLY 254.A O no hydrogen 2.936 N/A THR 251.A OG1 GLY 254.A O no hydrogen 2.677 N/A ARG 253.A NE TYR 548.A O no hydrogen 2.790 N/A ARG 253.A NH2 TYR 548.A O no hydrogen 2.692 N/A GLY 254.A N THR 251.A O no hydrogen 3.040 N/A GLY 254.A N THR 251.A OG1 no hydrogen 3.122 N/A ILE 256.A N VAL 249.A O no hydrogen 2.840 N/A LYS 258.A NZ ASP 270.A OD1 no hydrogen 2.770 N/A GLN 261.A NE2 THR 289.A OG1 no hydrogen 3.004 N/A HIS 272.A N ASP 270.A OD1 no hydrogen 3.014 N/A HIS 273.A N ASP 270.A O no hydrogen 2.870 N/A PHE 274.A N ILE 271.A O no hydrogen 2.955 N/A ILE 275.A N HIS 272.A O no hydrogen 3.258 N/A MET 276.A N HIS 272.A O no hydrogen 2.935 N/A GLY 277.A N ILE 225.A O no hydrogen 3.006 N/A SER 278.A N ILE 275.A O no hydrogen 2.913 N/A SER 278.A OG ILE 275.A O no hydrogen 2.538 N/A GLU 279.A N SER 226.A O no hydrogen 2.851 N/A THR 281.A N SER 278.A O no hydrogen 3.074 N/A THR 281.A OG1 SER 278.A O no hydrogen 2.670 N/A VAL 284.A N VAL 250.A O no hydrogen 2.873 N/A THR 286.A N LYS 248.A O no hydrogen 2.887 N/A THR 286.A OG1 LYS 248.A O no hydrogen 3.441 N/A ALA 288.A N VAL 189.A O no hydrogen 2.934 N/A THR 289.A N HIS 246.A O no hydrogen 2.892 N/A THR 289.A OG1 HIS 188.A ND1 no hydrogen 2.758 N/A ILE 290.A N ALA 187.A O no hydrogen 2.813 N/A LYS 291.A N LEU 243.A O no hydrogen 2.884 N/A LYS 291.A NZ ASP 242.A O no hydrogen 3.257 N/A ILE 292.A N LEU 185.A O no hydrogen 2.969 N/A ARG 293.A N CYS 208.A O no hydrogen 2.752 N/A THR 295.A N GLY 206.A O no hydrogen 2.962 N/A GLN 299.A NE2 GLU 374.A OE1 no hydrogen 2.726 N/A LYS 300.A N PHE 373.A O no hydrogen 2.898 N/A LYS 300.A NZ TYR 301.A O no hydrogen 2.881 N/A LYS 300.A NZ GLU 384.A OE2 no hydrogen 2.831 N/A TYR 301.A OH GLN 299.A OE1 no hydrogen 3.400 N/A GLY 302.A N LEU 371.A O no hydrogen 2.908 N/A SER 303.A OG GLY 400.A O no hydrogen 2.631 N/A VAL 304.A N ALA 369.A O no hydrogen 2.843 N/A ALA 305.A N LEU 397.A O no hydrogen 2.883 N/A PHE 306.A N SER 367.A O no hydrogen 2.679 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.908 N/A GLN 311.A N ASN 308.A OD1 no hydrogen 2.851 N/A GLN 311.A NE2 PHE 394.A O no hydrogen 3.009 N/A GLY 312.A N ASN 308.A O no hydrogen 3.154 N/A VAL 313.A N PHE 309.A O no hydrogen 2.907 N/A ALA 314.A N GLU 310.A O no hydrogen 2.993 N/A CYS 315.A N GLN 311.A O no hydrogen 2.983 N/A LEU 316.A N GLY 312.A O no hydrogen 3.009 N/A ARG 317.A N VAL 313.A O no hydrogen 2.959 N/A ARG 317.A NH1 ARG 317.A O no hydrogen 2.923 N/A GLU 318.A N ALA 314.A O no hydrogen 2.948 N/A ILE 319.A N CYS 315.A O no hydrogen 2.889 N/A ALA 320.A N LEU 316.A O no hydrogen 2.859 N/A LYS 321.A N ARG 317.A O no hydrogen 2.799 N/A GLN 322.A N GLU 318.A O no hydrogen 2.961 N/A GLN 322.A NE2 GLU 318.A OE2 no hydrogen 2.752 N/A ARG 323.A N ALA 320.A O no hydrogen 2.947 N/A ARG 323.A NE ASP 475.A OD1 no hydrogen 2.762 N/A ARG 323.A NH2 ASP 475.A OD1 no hydrogen 3.374 N/A ARG 323.A NH2 ASP 475.A OD2 no hydrogen 2.851 N/A CYS 324.A N ILE 319.A O no hydrogen 3.057 N/A CYS 324.A SG ILE 319.A O no hydrogen 3.866 N/A SER 328.A N LEU 372.A O no hydrogen 3.148 N/A SER 328.A OG TYR 408.A OH no hydrogen 2.841 N/A ARG 330.A N THR 370.A O no hydrogen 2.940 N/A ARG 330.A NH2 GLY 407.A O no hydrogen 3.298 N/A LEU 331.A N VAL 470.A O no hydrogen 2.906 N/A MET 332.A N VAL 368.A O no hydrogen 2.869 N/A ASP 333.A N CYS 468.A O no hydrogen 3.116 N/A ASN 334.A ND2 PRO 363.A O no hydrogen 2.842 N/A ASN 334.A ND2 LEU 366.A O no hydrogen 2.939 N/A GLN 335.A NE2 SER 466.A O no hydrogen 3.503 N/A GLN 336.A N ASP 333.A OD1 no hydrogen 2.911 N/A GLN 336.A NE2 THR 467.A OG1 no hydrogen 3.235 N/A PHE 337.A N ASP 333.A O no hydrogen 2.871 N/A GLN 338.A N ASN 334.A O no hydrogen 2.824 N/A GLN 338.A NE2 PRO 363.A O no hydrogen 3.484 N/A PHE 339.A N GLN 335.A O no hydrogen 2.937 N/A GLY 340.A N GLN 336.A O no hydrogen 2.919 N/A HIS 341.A N PHE 337.A O no hydrogen 3.015 N/A ALA 342.A N GLN 338.A O no hydrogen 2.969 N/A LEU 343.A N GLY 340.A O no hydrogen 3.219 N/A LYS 344.A N HIS 341.A O no hydrogen 3.401 N/A PHE 351.A N SER 349.A OG no hydrogen 3.123 N/A THR 352.A N SER 349.A O no hydrogen 3.466 N/A SER 353.A OG ASP 356.A OD1 no hydrogen 2.548 N/A PHE 354.A N THR 352.A O no hydrogen 2.916 N/A LEU 355.A N SER 353.A O no hydrogen 2.937 N/A LEU 358.A N PHE 354.A O no hydrogen 2.523 N/A LYS 359.A N LEU 355.A O no hydrogen 2.941 N/A LYS 360.A N ASP 356.A O no hydrogen 2.881 N/A PHE 361.A N GLY 357.A O no hydrogen 2.912 N/A ASN 364.A N ASP 362.A OD1 no hydrogen 3.195 N/A GLN 365.A N ASP 362.A O no hydrogen 3.080 N/A LEU 366.A N ASP 362.A O no hydrogen 2.921 N/A SER 367.A N PHE 306.A O no hydrogen 3.031 N/A SER 367.A OG ASN 308.A O no hydrogen 3.090 N/A VAL 368.A N MET 332.A O no hydrogen 3.423 N/A ALA 369.A N VAL 304.A O no hydrogen 2.770 N/A THR 370.A N ARG 330.A O no hydrogen 2.755 N/A LEU 371.A N GLY 302.A O no hydrogen 2.843 N/A LEU 372.A N SER 328.A O no hydrogen 2.924 N/A PHE 373.A N LYS 300.A O no hydrogen 2.786 N/A GLY 375.A N TYR 298.A O no hydrogen 3.078 N/A LYS 379.A NZ ASP 376.A OD2 no hydrogen 2.716 N/A VAL 380.A N ASP 376.A O no hydrogen 2.852 N/A LEU 381.A N ARG 377.A O no hydrogen 3.103 N/A GLN 382.A N GLU 378.A O no hydrogen 3.162 N/A HIS 383.A N LYS 379.A O no hydrogen 2.775 N/A HIS 383.A NE2 CYS 324.A O no hydrogen 2.765 N/A GLU 384.A N VAL 380.A O no hydrogen 2.862 N/A LYS 385.A N LEU 381.A O no hydrogen 3.077 N/A LYS 385.A NZ ASP 389.A OD2 no hydrogen 2.625 N/A GLN 386.A N GLN 382.A O no hydrogen 3.055 N/A VAL 387.A N HIS 383.A O no hydrogen 3.072 N/A TYR 388.A N GLU 384.A O no hydrogen 3.000 N/A ASP 389.A N LYS 385.A O no hydrogen 2.955 N/A ILE 390.A N GLN 386.A O no hydrogen 3.279 N/A ALA 391.A N VAL 387.A O no hydrogen 2.988 N/A ALA 392.A N TYR 388.A O no hydrogen 2.945 N/A LYS 393.A N ILE 390.A O no hydrogen 2.925 N/A PHE 394.A N ALA 391.A O no hydrogen 3.033 N/A GLY 395.A N ALA 392.A O no hydrogen 3.274 N/A GLY 396.A N ALA 391.A O no hydrogen 2.878 N/A LEU 397.A N ALA 305.A O no hydrogen 3.022 N/A ALA 399.A N SER 303.A O no hydrogen 2.731 N/A GLY 404.A N GLY 400.A O no hydrogen 3.506 N/A GLN 405.A N GLU 401.A O no hydrogen 2.657 N/A ARG 406.A N ASP 402.A O no hydrogen 2.899 N/A GLY 407.A N ASN 403.A O no hydrogen 2.840 N/A TYR 408.A N GLY 404.A O no hydrogen 3.004 N/A TYR 408.A OH SER 328.A OG no hydrogen 2.841 N/A LEU 409.A N GLN 405.A O no hydrogen 3.147 N/A LEU 410.A N ARG 406.A O no hydrogen 2.943 N/A THR 411.A OG1 TYR 408.A O no hydrogen 2.808 N/A TYR 412.A N LEU 409.A O no hydrogen 3.421 N/A VAL 413.A N LEU 410.A O no hydrogen 2.911 N/A ILE 414.A N LEU 410.A O no hydrogen 3.134 N/A TYR 416.A N VAL 413.A O no hydrogen 2.978 N/A TYR 416.A OH TYR 38.A OH no hydrogen 2.758 N/A MET 417.A N ILE 414.A O no hydrogen 2.767 N/A ARG 418.A NH1 HIS 100.A O no hydrogen 2.783 N/A ARG 418.A NH2 GLY 428.A O no hydrogen 3.004 N/A ARG 418.A NH2 GLU 429.A OE1 no hydrogen 3.291 N/A ASP 419.A N ASP 419.A OD1 no hydrogen 2.662 N/A GLY 421.A N MET 417.A O no hydrogen 2.961 N/A LEU 422.A N ARG 418.A O no hydrogen 2.858 N/A GLU 423.A N LEU 420.A O no hydrogen 3.003 N/A TYR 424.A N GLY 421.A O no hydrogen 2.881 N/A ILE 426.A N GLY 421.A O no hydrogen 2.938 N/A ILE 427.A N PHE 486.A O no hydrogen 3.056 N/A GLU 429.A N PHE 484.A O no hydrogen 2.853 N/A SER 430.A OG TYR 481.A OH no hydrogen 2.778 N/A PHE 431.A N PHE 482.A O no hydrogen 2.932 N/A THR 433.A N ILE 480.A O no hydrogen 2.902 N/A THR 433.A OG1 SER 434.A O no hydrogen 3.212 N/A THR 433.A OG1 SER 515.A O no hydrogen 2.700 N/A THR 433.A OG1 SER 515.A OG no hydrogen 3.403 N/A SER 434.A N SER 515.A OG no hydrogen 3.040 N/A SER 434.A OG SER 515.A OG no hydrogen 2.903 N/A ALA 435.A N ALA 478.A O no hydrogen 2.896 N/A TRP 437.A NE1 TYR 474.A O no hydrogen 3.070 N/A TRP 437.A NE1 ASP 475.A O no hydrogen 3.127 N/A ARG 439.A N PRO 436.A O no hydrogen 3.056 N/A VAL 440.A N TRP 437.A O no hydrogen 3.336 N/A LEU 443.A N ARG 439.A O no hydrogen 2.782 N/A CYS 444.A N VAL 440.A O no hydrogen 3.023 N/A CYS 444.A SG VAL 440.A O no hydrogen 3.247 N/A ARG 445.A N VAL 441.A O no hydrogen 2.976 N/A ASN 446.A N ASP 442.A O no hydrogen 2.773 N/A ASN 446.A ND2 ASN 512.A OD1 no hydrogen 2.929 N/A VAL 447.A N LEU 443.A O no hydrogen 2.842 N/A LYS 448.A N CYS 444.A O no hydrogen 3.209 N/A LYS 448.A NZ ASP 333.A OD2 no hydrogen 2.973 N/A GLU 449.A N ARG 445.A O no hydrogen 3.067 N/A ARG 450.A N ASN 446.A O no hydrogen 2.958 N/A ARG 450.A NE GLU 454.A OE2 no hydrogen 2.854 N/A ARG 450.A NH1 GLU 508.A OE1 no hydrogen 2.934 N/A ARG 450.A NH2 GLU 454.A OE2 no hydrogen 3.511 N/A ILE 451.A N VAL 447.A O no hydrogen 2.989 N/A ARG 452.A N LYS 448.A O no hydrogen 3.195 N/A ARG 453.A N GLU 449.A O no hydrogen 2.880 N/A ARG 453.A NE GLU 457.A OE2 no hydrogen 3.391 N/A GLU 454.A N ARG 450.A O no hydrogen 2.826 N/A CYS 455.A N ILE 451.A O no hydrogen 3.151 N/A CYS 455.A SG ILE 451.A O no hydrogen 3.349 N/A LYS 456.A N ARG 452.A O no hydrogen 3.270 N/A GLU 457.A N ARG 453.A O no hydrogen 2.913 N/A LYS 458.A N GLU 454.A O no hydrogen 3.028 N/A LYS 458.A N CYS 455.A O no hydrogen 3.136 N/A LYS 458.A NZ GLU 454.A OE1 no hydrogen 3.393 N/A GLY 459.A N LYS 456.A O no hydrogen 3.105 N/A VAL 460.A N CYS 455.A O no hydrogen 2.879 N/A GLN 461.A NE2 ARG 489.A O no hydrogen 3.523 N/A LEU 465.A N ALA 485.A O no hydrogen 2.772 N/A SER 466.A OG LYS 448.A O no hydrogen 3.512 N/A THR 467.A N TYR 483.A O no hydrogen 3.031 N/A THR 467.A OG1 ASP 333.A OD1 no hydrogen 2.739 N/A THR 467.A OG1 ASP 333.A OD2 no hydrogen 2.959 N/A CYS 468.A N ASP 333.A OD2 no hydrogen 2.879 N/A ARG 469.A N TYR 481.A O no hydrogen 2.846 N/A VAL 470.A N LEU 331.A O no hydrogen 2.870 N/A THR 471.A N CYS 479.A O no hydrogen 3.016 N/A GLN 472.A NE2 MET 232.A O no hydrogen 3.424 N/A TYR 474.A N GLY 477.A O no hydrogen 2.794 N/A TYR 474.A OH ASN 239.A OD1 no hydrogen 3.196 N/A TYR 474.A OH HIS 518.A NE2 no hydrogen 2.539 N/A ALA 478.A N ALA 435.A O no hydrogen 2.870 N/A CYS 479.A N GLN 472.A O no hydrogen 3.027 N/A CYS 479.A SG THR 433.A O no hydrogen 3.663 N/A CYS 479.A SG THR 471.A OG1 no hydrogen 3.293 N/A CYS 479.A SG HIS 518.A ND1 no hydrogen 3.434 N/A ILE 480.A N THR 433.A O no hydrogen 2.834 N/A TYR 481.A N ARG 469.A O no hydrogen 2.820 N/A PHE 482.A N PHE 431.A O no hydrogen 2.706 N/A TYR 483.A N THR 467.A O no hydrogen 2.923 N/A PHE 484.A N GLU 429.A O no hydrogen 3.003 N/A ALA 485.A N LEU 465.A O no hydrogen 3.037 N/A PHE 486.A N ILE 427.A O no hydrogen 2.965 N/A ASN 487.A ND2 PHE 56.A O no hydrogen 3.082 N/A TYR 488.A N TYR 425.A O no hydrogen 2.789 N/A ARG 489.A N ASN 487.A OD1 no hydrogen 3.151 N/A ILE 491.A N TYR 488.A O no hydrogen 3.067 N/A VAL 497.A N ASP 493.A O no hydrogen 3.101 N/A PHE 498.A N PRO 494.A O no hydrogen 2.884 N/A GLU 499.A N LEU 495.A O no hydrogen 2.799 N/A GLN 500.A N ALA 496.A O no hydrogen 2.808 N/A THR 501.A N VAL 497.A O no hydrogen 3.040 N/A THR 501.A OG1 VAL 497.A O no hydrogen 2.695 N/A GLU 502.A N PHE 498.A O no hydrogen 2.790 N/A ALA 503.A N GLU 499.A O no hydrogen 3.047 N/A ALA 504.A N GLN 500.A O no hydrogen 3.049 N/A ALA 505.A N THR 501.A O no hydrogen 2.938 N/A ARG 506.A N GLU 502.A O no hydrogen 3.103 N/A ARG 506.A NH1 GLU 432.A O no hydrogen 3.234 N/A ARG 506.A NH2 GLU 432.A O no hydrogen 2.717 N/A ARG 506.A NH2 SER 515.A O no hydrogen 3.054 N/A GLU 507.A N ALA 503.A O no hydrogen 2.946 N/A GLU 508.A N ALA 504.A O no hydrogen 2.920 N/A ILE 509.A N ALA 505.A O no hydrogen 2.905 N/A LEU 510.A N ARG 506.A O no hydrogen 3.054 N/A ALA 511.A N GLU 507.A O no hydrogen 2.990 N/A ASN 512.A N GLU 508.A O no hydrogen 2.921 N/A ASN 512.A ND2 GLU 508.A O no hydrogen 2.584 N/A ASN 512.A ND2 GLU 508.A OE2 no hydrogen 2.796 N/A GLY 513.A N LEU 510.A O no hydrogen 3.186 N/A GLY 514.A N ILE 509.A O no hydrogen 2.896 N/A SER 515.A N SER 434.A O no hydrogen 2.869 N/A SER 515.A OG THR 433.A OG1 no hydrogen 3.403 N/A SER 515.A OG SER 434.A O no hydrogen 3.511 N/A SER 515.A OG SER 434.A OG no hydrogen 2.903 N/A SER 517.A OG GLU 432.A OE2 no hydrogen 2.714 N/A HIS 518.A N GLU 432.A OE1 no hydrogen 2.615 N/A HIS 518.A ND1 HIS 519.A ND1 no hydrogen 2.854 N/A HIS 518.A NE2 TYR 474.A OH no hydrogen 2.539 N/A HIS 519.A N GLU 432.A OE1 no hydrogen 3.394 N/A HIS 519.A N GLU 432.A OE2 no hydrogen 3.292 N/A HIS 519.A ND1 HIS 518.A ND1 no hydrogen 2.854 N/A HIS 520.A N GLU 432.A OE2 no hydrogen 2.911 N/A GLY 521.A N SER 517.A OG no hydrogen 2.895 N/A VAL 522.A N GLU 279.A OE2 no hydrogen 2.874 N/A GLY 523.A N GLU 279.A OE1 no hydrogen 2.703 N/A LYS 524.A N SER 153.A O no hydrogen 2.717 N/A LYS 524.A NZ TYR 154.A O no hydrogen 2.796 N/A LYS 524.A NZ MET 157.A O no hydrogen 2.714 N/A LYS 524.A NZ ASN 557.A O no hydrogen 2.617 N/A LYS 524.A NZ ASN 559.A OD1 no hydrogen 3.107 N/A LEU 525.A N SER 153.A O no hydrogen 2.992 N/A LEU 525.A N VAL 522.A O no hydrogen 3.022 N/A ARG 526.A N VAL 522.A O no hydrogen 3.001 N/A ARG 526.A NH1 GLY 521.A O no hydrogen 2.711 N/A LYS 527.A NZ ARG 558.A O no hydrogen 2.626 N/A GLN 528.A N GLN 528.A OE1 no hydrogen 2.738 N/A TRP 529.A N ARG 526.A O no hydrogen 3.082 N/A TRP 529.A NE1 GLU 507.A OE1 no hydrogen 3.241 N/A TRP 529.A NE1 GLU 507.A OE2 no hydrogen 3.043 N/A LEU 530.A N LYS 527.A O no hydrogen 3.013 N/A SER 533.A N TRP 529.A O no hydrogen 3.066 N/A ILE 534.A N LEU 530.A O no hydrogen 2.973 N/A SER 535.A N LYS 531.A O no hydrogen 2.761 N/A SER 535.A OG ILE 534.A O no hydrogen 2.533 N/A GLY 538.A N SER 535.A OG no hydrogen 3.112 N/A PHE 539.A N SER 535.A O no hydrogen 2.910 N/A GLY 540.A N ASP 536.A O no hydrogen 2.894 N/A MET 541.A N VAL 537.A O no hydrogen 2.777 N/A LEU 542.A N GLY 538.A O no hydrogen 3.124 N/A LYS 543.A N PHE 539.A O no hydrogen 2.947 N/A LYS 543.A NZ ASP 547.A OD2 no hydrogen 2.928 N/A SER 544.A N GLY 540.A O no hydrogen 2.883 N/A SER 544.A OG MET 541.A O no hydrogen 2.826 N/A VAL 545.A N MET 541.A O no hydrogen 3.170 N/A LYS 546.A N LEU 542.A O no hydrogen 2.977 N/A LYS 546.A NZ THR 281.A O no hydrogen 2.674 N/A LYS 546.A NZ ASP 550.A OD2 no hydrogen 2.593 N/A LYS 546.A NZ ASN 553.A OD1 no hydrogen 2.945 N/A LYS 546.A NZ PHE 555.A O no hydrogen 2.868 N/A ASP 547.A N LYS 543.A O no hydrogen 2.899 N/A TYR 548.A N SER 544.A O no hydrogen 3.001 N/A VAL 549.A N VAL 545.A O no hydrogen 2.835 N/A ASP 550.A N LYS 546.A O no hydrogen 2.784 N/A ASN 553.A N ASP 550.A O no hydrogen 2.943 N/A ILE 554.A N ASP 550.A OD1 no hydrogen 2.830 N/A PHE 555.A N ASP 550.A OD2 no hydrogen 2.904 N/A ASN 557.A ND2 GLU 279.A O no hydrogen 2.910 N/A ARG 558.A NH1 ASP 161.A OD1 no hydrogen 2.681 N/A ARG 558.A NH2 ASP 161.A OD1 no hydrogen 2.864 N/A ASN 559.A N ASN 557.A OD1 no hydrogen 2.984 N/A ASN 559.A ND2 GLY 155.A O no hydrogen 3.142 N/A ASN 559.A ND2 GLU 279.A O no hydrogen 2.786 N/A LEU 560.A N GLY 523.A O no hydrogen 2.861 N/A LEU 561.A N ASN 559.A O no hydrogen 2.805 N/A