Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6up9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 9.A NE2 ALA 6.A O no hydrogen 2.815 N/A THR 11.A N SER 256.A O no hydrogen 2.838 N/A THR 11.A OG1 SER 256.A O no hydrogen 3.128 N/A ASP 12.A N SER 256.A OG no hydrogen 2.983 N/A HIS 14.A ND1 GLU 180.A OE1 no hydrogen 2.675 N/A HIS 15.A N ASP 12.A O no hydrogen 2.927 N/A HIS 16.A N ASP 12.A OD1 no hydrogen 2.676 N/A GLN 17.A N ASP 12.A OD2 no hydrogen 2.908 N/A THR 18.A N HIS 15.A O no hydrogen 3.098 N/A ALA 21.A N ILE 336.A O.A no hydrogen 2.776 N/A ALA 21.A N ILE 336.A O.B no hydrogen 2.700 N/A LYS 22.A NZ GLU 27.A OE1 no hydrogen 2.871 N/A LYS 22.A NZ SER 332.A O no hydrogen 3.190 N/A VAL 23.A N ILE 334.A O no hydrogen 2.805 N/A SER 26.A N VAL 23.A O no hydrogen 3.038 N/A SER 26.A OG VAL 23.A O no hydrogen 2.736 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.628 N/A LYS 28.A N GLY 25.A O no hydrogen 3.288 N/A TYR 29.A N SER 26.A O no hydrogen 3.066 N/A VAL 30.A N GLU 27.A O no hydrogen 3.447 N/A GLU 31.A N LYS 42.A O no hydrogen 3.012 N/A VAL 33.A N ALA 40.A O no hydrogen 2.961 N/A VAL 35.A N ARG 38.A O no hydrogen 3.087 N/A ARG 38.A N VAL 35.A O no hydrogen 2.917 N/A ARG 38.A NH1 GLU 120.A OE2 no hydrogen 3.045 N/A ARG 38.A NH2 GLU 120.A OE1 no hydrogen 2.777 N/A ALA 40.A N VAL 33.A O no hydrogen 2.922 N/A LEU 41.A N LEU 121.A O no hydrogen 2.953 N/A LYS 42.A N GLU 31.A O no hydrogen 2.859 N/A VAL 43.A N TRP 123.A O no hydrogen 2.758 N/A ASN 44.A N TYR 29.A O no hydrogen 2.883 N/A GLU 46.A N.A ASN 44.A OD1 no hydrogen 3.075 N/A GLU 46.A N.B ASN 44.A OD1 no hydrogen 3.111 N/A ALA 47.A N ASN 44.A O no hydrogen 2.863 N/A LEU 48.A N PRO 45.A O no hydrogen 2.879 N/A THR 49.A OG1 TYR 131.A O no hydrogen 2.766 N/A ILE 50.A N GLU 46.A O.A no hydrogen 3.037 N/A ILE 50.A N GLU 46.A O.B no hydrogen 2.975 N/A LEU 51.A N ALA 47.A O no hydrogen 2.890 N/A ALA 52.A N LEU 48.A O no hydrogen 3.001 N/A HIS 53.A N.A THR 49.A O no hydrogen 2.906 N/A HIS 53.A N.B THR 49.A O no hydrogen 2.908 N/A HIS 53.A NE2.A HIS 143.A NE2 no hydrogen 3.198 N/A ARG 54.A N ILE 50.A O no hydrogen 3.096 N/A ARG 54.A NE ASP 58.A OD2 no hydrogen 2.713 N/A ALA 55.A N LEU 51.A O no hydrogen 2.883 N/A PHE 56.A N ALA 52.A O no hydrogen 3.032 N/A SER 57.A N ARG 54.A O no hydrogen 3.124 N/A SER 57.A OG HIS 53.A O.A no hydrogen 2.757 N/A SER 57.A OG HIS 53.A O.B no hydrogen 2.769 N/A SER 57.A OG HIS 143.A NE2 no hydrogen 3.280 N/A ASP 58.A N ARG 54.A O no hydrogen 2.828 N/A VAL 59.A N ALA 55.A O no hydrogen 3.162 N/A HIS 60.A N SER 57.A O no hydrogen 3.255 N/A HIS 60.A NE2 TYR 140.A OH no hydrogen 3.199 N/A HIS 61.A N ASP 58.A O no hydrogen 2.968 N/A HIS 61.A ND1 ALA 98.A O no hydrogen 2.869 N/A ARG 64.A NE GLU 337.A OE2 no hydrogen 2.817 N/A ARG 64.A NH1 CYS 251.A O no hydrogen 2.976 N/A ARG 64.A NH2 GLU 337.A OE1 no hydrogen 3.078 N/A HIS 67.A ND1 HIS 229.A NE2 no hydrogen 2.795 N/A HIS 67.A NE2 SER 320.A O no hydrogen 2.869 N/A LEU 68.A N ARG 64.A O no hydrogen 3.162 N/A GLU 69.A N LYS 65.A O no hydrogen 2.801 N/A GLY 70.A N ASP 66.A O no hydrogen 3.391 N/A TRP 71.A N HIS 67.A O no hydrogen 3.388 N/A ARG 72.A N LEU 68.A O no hydrogen 3.074 N/A ARG 73.A N GLU 69.A O no hydrogen 2.822 N/A ARG 73.A NH2 HIS 297.A O no hydrogen 3.546 N/A ALA 74.A N GLY 70.A O no hydrogen 3.009 N/A ILE 75.A N TRP 71.A O no hydrogen 3.098 N/A ILE 75.A N ARG 72.A O no hydrogen 2.924 N/A GLU 76.A N ARG 72.A O no hydrogen 2.856 N/A ASP 77.A N ARG 73.A O no hydrogen 2.888 N/A GLU 79.A N ASP 77.A OD1 no hydrogen 2.822 N/A ALA 80.A N ASP 77.A O no hydrogen 3.031 N/A SER 81.A N ASP 84.A OD2 no hydrogen 3.114 N/A SER 81.A OG GLY 291.A O no hydrogen 2.699 N/A ASN 83.A ND2 PHE 290.A O no hydrogen 2.964 N/A ASP 84.A N SER 81.A OG no hydrogen 2.832 N/A ARG 85.A N SER 81.A O no hydrogen 3.045 N/A ARG 85.A NH2 ASP 77.A O no hydrogen 3.521 N/A ARG 85.A NH2 PRO 78.A O no hydrogen 3.295 N/A ARG 85.A NH2 ALA 80.A O no hydrogen 3.447 N/A TYR 86.A N ASP 82.A O no hydrogen 2.971 N/A VAL 87.A N ASN 83.A O no hydrogen 2.914 N/A ALA 88.A N ASP 84.A O no hydrogen 2.934 N/A THR 89.A N ARG 85.A O no hydrogen 2.876 N/A THR 89.A OG1 ARG 85.A O no hydrogen 2.620 N/A THR 90.A N TYR 86.A O no hydrogen 3.008 N/A THR 90.A OG1 TYR 86.A O no hydrogen 2.835 N/A LEU 91.A N VAL 87.A O no hydrogen 2.927 N/A LEU 92.A N ALA 88.A O no hydrogen 2.941 N/A LYS 93.A N THR 89.A O no hydrogen 2.895 N/A ASN 94.A N THR 90.A O no hydrogen 2.814 N/A ASN 94.A ND2 SER 105.A O no hydrogen 2.898 N/A ALA 95.A N LEU 91.A O no hydrogen 2.888 N/A CYS 96.A N LEU 92.A O no hydrogen 3.027 N/A CYS 96.A SG LEU 92.A O no hydrogen 3.375 N/A ILE 97.A N LYS 93.A O no hydrogen 3.087 N/A ALA 98.A N ASN 94.A O no hydrogen 2.890 N/A ALA 99.A N ALA 95.A O no hydrogen 2.895 N/A GLY 100.A N ILE 97.A O no hydrogen 3.003 N/A ARG 101.A N ALA 98.A O no hydrogen 2.993 N/A ARG 101.A NH2 GLN 341.A OE1 no hydrogen 3.267 N/A SER 105.A N HIS 60.A O no hydrogen 2.919 N/A SER 105.A OG HIS 60.A O no hydrogen 3.451 N/A GLN 107.A N GLN 107.A OE1 no hydrogen 2.935 N/A GLN 107.A NE2 PRO 430.A O no hydrogen 3.562 N/A THR 109.A OG1 ARG 146.A O no hydrogen 3.207 N/A GLY 110.A N ASP 108.A OD1 no hydrogen 2.871 N/A THR 111.A N LYS 186.A O no hydrogen 2.777 N/A ILE 113.A N ILE 184.A O no hydrogen 2.822 N/A VAL 114.A N GLN 168.A O no hydrogen 2.796 N/A LEU 115.A N LEU 182.A O no hydrogen 2.903 N/A GLY 116.A N ASP 170.A O no hydrogen 2.832 N/A LYS 117.A N GLU 180.A O no hydrogen 2.683 N/A LYS 117.A NZ TYR 253.A OH no hydrogen 2.578 N/A ARG 118.A N LEU 172.A O no hydrogen 2.895 N/A ARG 118.A NH1 ASP 128.A OD2 no hydrogen 2.807 N/A GLY 119.A N ASP 178.A O no hydrogen 2.776 N/A GLU 120.A N VAL 174.A O no hydrogen 2.795 N/A LEU 121.A N GLY 176.A O no hydrogen 2.811 N/A CYS 122.A N GLY 119.A O no hydrogen 2.963 N/A TRP 123.A N LEU 41.A O no hydrogen 2.854 N/A THR 124.A OG1 ASP 128.A OD1 no hydrogen 2.607 N/A THR 124.A OG1 ASP 128.A OD2 no hydrogen 3.523 N/A GLY 126.A N THR 124.A OG1 no hydrogen 3.082 N/A TYR 131.A N GLU 127.A O no hydrogen 3.143 N/A LEU 132.A N ASP 128.A O no hydrogen 2.814 N/A SER 133.A N GLU 129.A O no hydrogen 2.941 N/A SER 133.A OG GLU 129.A O no hydrogen 2.668 N/A LYS 134.A N LYS 130.A O no hydrogen 2.891 N/A LYS 134.A NZ ASN 138.A OD1 no hydrogen 2.782 N/A GLY 135.A N TYR 131.A O no hydrogen 3.197 N/A ILE 136.A N LEU 132.A O no hydrogen 3.018 N/A TRP 137.A N SER 133.A O no hydrogen 2.742 N/A ASN 138.A N LYS 134.A O no hydrogen 2.808 N/A ALA 139.A N GLY 135.A O no hydrogen 2.987 N/A TYR 140.A N ILE 136.A O no hydrogen 3.085 N/A TYR 140.A OH THR 109.A O no hydrogen 2.689 N/A ARG 141.A N TRP 137.A O no hydrogen 2.900 N/A TYR 142.A N ASN 138.A O no hydrogen 2.982 N/A HIS 143.A NE2 HIS 53.A NE2.A no hydrogen 3.198 N/A HIS 143.A NE2 HIS 53.A NE2.B no hydrogen 3.352 N/A ARG 146.A N THR 109.A OG1 no hydrogen 2.928 N/A ARG 146.A NE SER 148.A OG no hydrogen 2.915 N/A ARG 146.A NH1 GLY 415.A O no hydrogen 2.853 N/A ARG 146.A NH2 SER 148.A OG no hydrogen 3.097 N/A SER 148.A N ASN 164.A OD1 no hydrogen 3.100 N/A GLN 149.A NE2 THR 111.A OG1 no hydrogen 3.160 N/A GLN 149.A NE2 ASN 164.A OD1 no hydrogen 3.253 N/A ALA 151.A N CYS 159.A O no hydrogen 2.709 N/A LEU 153.A N LYS 157.A O no hydrogen 2.652 N/A ASP 154.A N LYS 157.A O no hydrogen 3.346 N/A PHE 156.A N ASP 154.A OD1 no hydrogen 2.823 N/A LYS 157.A N ASP 154.A OD1 no hydrogen 2.698 N/A CYS 159.A N ALA 151.A O no hydrogen 2.990 N/A CYS 159.A SG ASN 160.A O no hydrogen 3.881 N/A ASN 160.A ND2 TYR 147.A O no hydrogen 2.920 N/A THR 161.A N GLN 149.A O no hydrogen 3.016 N/A THR 161.A OG1 GLN 149.A O no hydrogen 3.561 N/A THR 161.A OG1 ASP 163.A OD1 no hydrogen 3.224 N/A THR 161.A OG1 LEU 165.A O no hydrogen 2.618 N/A GLY 162.A N ASN 160.A OD1 no hydrogen 2.744 N/A ASN 164.A ND2 GLY 110.A O no hydrogen 3.015 N/A LEU 165.A N ASP 163.A OD1 no hydrogen 2.906 N/A GLN 168.A N ALA 112.A O no hydrogen 2.944 N/A ASP 170.A N VAL 114.A O no hydrogen 2.797 N/A LEU 172.A N GLY 116.A O no hydrogen 2.706 N/A VAL 174.A N ARG 118.A O no hydrogen 3.106 N/A TYR 179.A N ILE 329.A O no hydrogen 3.122 N/A TYR 179.A OH ASP 128.A OD2 no hydrogen 2.775 N/A GLU 180.A N LYS 117.A O no hydrogen 2.979 N/A PHE 181.A N ALA 327.A O no hydrogen 2.823 N/A LEU 182.A N LEU 115.A O no hydrogen 2.805 N/A PHE 183.A N ILE 325.A O.A no hydrogen 2.795 N/A PHE 183.A N ILE 325.A O.B no hydrogen 2.870 N/A ILE 184.A N ILE 113.A O no hydrogen 2.871 N/A ALA 185.A N ARG 323.A O no hydrogen 3.067 N/A LYS 186.A N THR 111.A O no hydrogen 2.957 N/A LYS 186.A NZ SER 190.A OG no hydrogen 3.400 N/A LYS 186.A NZ VAL 317.A O no hydrogen 2.900 N/A GLY 188.A N ASP 108.A OD2 no hydrogen 2.764 N/A SER 190.A OG GLY 187.A O no hydrogen 3.386 N/A ALA 191.A N GLY 187.A O no hydrogen 2.956 N/A ASN 192.A N GLY 188.A O no hydrogen 2.868 N/A LYS 193.A N SER 190.A O no hydrogen 3.036 N/A LYS 193.A NZ TYR 195.A OH no hydrogen 2.780 N/A LYS 193.A NZ THR 219.A O no hydrogen 3.330 N/A LYS 193.A NZ LEU 220.A O no hydrogen 3.507 N/A TYR 195.A N LEU 315.A O no hydrogen 2.760 N/A TYR 197.A N VAL 313.A O no hydrogen 2.797 N/A GLU 199.A N CYS 311.A O no hydrogen 2.906 N/A ALA 202.A N THR 200.A OG1 no hydrogen 3.021 N/A LEU 203.A N THR 200.A O no hydrogen 2.925 N/A LEU 204.A N LYS 201.A O no hydrogen 2.900 N/A ASN 205.A N LEU 203.A O no hydrogen 2.816 N/A ASN 205.A ND2 SER 208.A OG no hydrogen 3.022 N/A SER 208.A N ASN 205.A OD1 no hydrogen 2.901 N/A SER 208.A OG ALA 202.A O no hydrogen 3.502 N/A SER 208.A OG ASN 205.A OD1 no hydrogen 3.184 N/A LEU 209.A N ASN 205.A O no hydrogen 2.926 N/A ARG 210.A N PRO 206.A O no hydrogen 3.012 N/A ARG 210.A NE GLU 214.A OE2 no hydrogen 3.314 N/A ALA 211.A N LYS 207.A O no hydrogen 3.075 N/A PHE 212.A N SER 208.A O no hydrogen 2.883 N/A ILE 213.A N LEU 209.A O no hydrogen 2.895 N/A GLU 214.A N ARG 210.A O no hydrogen 2.986 N/A GLU 215.A N ALA 211.A O no hydrogen 2.966 N/A LYS 216.A N PHE 212.A O no hydrogen 2.906 N/A LYS 216.A NZ GLU 215.A OE2 no hydrogen 2.853 N/A LEU 217.A N ILE 213.A O no hydrogen 2.997 N/A THR 219.A N LYS 216.A O no hydrogen 2.975 N/A THR 219.A OG1 LYS 216.A O no hydrogen 2.608 N/A LEU 220.A N LEU 217.A O no hydrogen 3.059 N/A GLY 221.A N LYS 218.A O no hydrogen 3.013 N/A THR 222.A N ASN 457.A OD1 no hydrogen 3.086 N/A THR 222.A OG1 ASN 457.A OD1 no hydrogen 3.514 N/A ALA 224.A N TYR 228.A OH no hydrogen 3.163 N/A CYS 225.A N THR 222.A O no hydrogen 3.339 N/A TYR 228.A N PHE 295.A O no hydrogen 2.959 N/A TYR 228.A OH GLY 221.A O no hydrogen 2.722 N/A HIS 229.A N SER 318.A O no hydrogen 3.048 N/A HIS 229.A NE2 HIS 67.A ND1 no hydrogen 2.795 N/A ILE 230.A N GLN 298.A O no hydrogen 3.068 N/A ALA 231.A N ALA 316.A O no hydrogen 2.879 N/A LEU 232.A N ARG 300.A O no hydrogen 2.829 N/A VAL 233.A N GLY 314.A O no hydrogen 2.838 N/A ILE 234.A N.A ILE 302.A O.A no hydrogen 2.989 N/A ILE 234.A N.A ILE 302.A O.B no hydrogen 2.913 N/A ILE 234.A N.B ILE 302.A O.A no hydrogen 2.994 N/A ILE 234.A N.B ILE 302.A O.B no hydrogen 2.921 N/A GLY 235.A N PRO 312.A O no hydrogen 2.859 N/A GLY 236.A N PRO 305.A O no hydrogen 2.791 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.648 N/A MET 241.A N SER 238.A OG no hydrogen 3.172 N/A THR 242.A N SER 238.A O no hydrogen 2.877 N/A THR 242.A OG1 GLY 235.A O no hydrogen 2.697 N/A THR 242.A OG1 SER 238.A O no hydrogen 3.234 N/A MET 243.A N ALA 239.A O no hydrogen 2.941 N/A LYS 244.A N GLU 240.A O no hydrogen 2.945 N/A THR 245.A N MET 241.A O no hydrogen 2.974 N/A THR 245.A OG1 MET 241.A O no hydrogen 2.709 N/A VAL 246.A N THR 242.A O no hydrogen 2.923 N/A LYS 247.A N MET 243.A O no hydrogen 3.066 N/A LEU 248.A N LYS 244.A O no hydrogen 3.012 N/A ALA 249.A N THR 245.A O no hydrogen 2.809 N/A SER 250.A N VAL 246.A O no hydrogen 3.039 N/A SER 250.A OG LYS 247.A O no hydrogen 2.655 N/A CYS 251.A N LYS 247.A O no hydrogen 3.233 N/A CYS 251.A N LEU 248.A O no hydrogen 3.144 N/A CYS 251.A SG LYS 247.A O no hydrogen 3.494 N/A CYS 251.A SG GLN 324.A OE1 no hydrogen 3.287 N/A ARG 252.A N ALA 249.A O no hydrogen 2.921 N/A ARG 252.A NE ASP 66.A OD2 no hydrogen 2.988 N/A ARG 252.A NH1 SER 250.A O no hydrogen 2.904 N/A ARG 252.A NH1 ASP 322.A OD1 no hydrogen 2.882 N/A ARG 252.A NH2 ASP 66.A OD1 no hydrogen 3.101 N/A ARG 252.A NH2 ASP 66.A OD2 no hydrogen 3.542 N/A ARG 252.A NH2 ASP 322.A OD1 no hydrogen 3.550 N/A ARG 252.A NH2 ASP 322.A OD2 no hydrogen 2.670 N/A TYR 253.A N LEU 248.A O no hydrogen 3.007 N/A LEU 257.A N TYR 254.A O no hydrogen 3.238 N/A TYR 264.A N ASP 262.A OD1 no hydrogen 3.031 N/A GLY 265.A N ASP 262.A O no hydrogen 3.057 N/A ARG 266.A N ASP 262.A OD1 no hydrogen 3.344 N/A ARG 266.A NE THR 260.A O no hydrogen 2.874 N/A ARG 266.A NH2 THR 260.A O no hydrogen 3.023 N/A ARG 266.A NH2 THR 260.A OG1 no hydrogen 2.968 N/A ALA 267.A N ILE 7.A O no hydrogen 2.741 N/A PHE 268.A N ARG 303.A O no hydrogen 3.212 N/A ARG 269.A N PRO 258.A O no hydrogen 2.877 N/A ARG 269.A NE GLU 274.A OE2 no hydrogen 2.833 N/A ARG 269.A NH1 ASP 255.A O no hydrogen 2.982 N/A ARG 269.A NH2 GLU 274.A OE1 no hydrogen 2.766 N/A ARG 269.A NH2 GLU 274.A OE2 no hydrogen 3.396 N/A ASP 270.A N VAL 301.A O no hydrogen 2.909 N/A TRP 273.A N ASP 270.A OD1 no hydrogen 3.170 N/A GLU 274.A N ASP 270.A O no hydrogen 2.938 N/A LYS 275.A N PRO 271.A O no hydrogen 2.955 N/A ILE 276.A N GLU 272.A O no hydrogen 3.093 N/A VAL 277.A N TRP 273.A O no hydrogen 2.865 N/A MET 278.A N GLU 274.A O no hydrogen 3.039 N/A GLU 279.A N LYS 275.A O no hydrogen 2.885 N/A VAL 280.A N ILE 276.A O no hydrogen 2.896 N/A ALA 281.A N VAL 277.A O no hydrogen 2.855 N/A GLN 282.A N MET 278.A O no hydrogen 2.826 N/A LYS 283.A N GLU 279.A O no hydrogen 2.871 N/A SER 284.A N VAL 280.A O no hydrogen 2.974 N/A SER 284.A OG ALA 281.A O no hydrogen 2.667 N/A GLY 285.A N GLN 282.A O no hydrogen 3.338 N/A ILE 286.A N SER 284.A OG no hydrogen 3.123 N/A ALA 288.A N ASP 84.A OD1 no hydrogen 2.818 N/A GLN 289.A N GLY 287.A O no hydrogen 2.787 N/A GLN 289.A NE2 PRO 226.A O no hydrogen 2.874 N/A GLN 289.A NE2 GLY 478.A O no hydrogen 2.931 N/A GLY 291.A N ILE 286.A O no hydrogen 2.773 N/A GLY 292.A N GLY 285.A O no hydrogen 3.029 N/A LYS 293.A N ASP 84.A OD2 no hydrogen 2.651 N/A LYS 293.A NZ ASP 77.A OD2 no hydrogen 2.704 N/A LYS 293.A NZ GLU 79.A OE1 no hydrogen 2.772 N/A TYR 294.A N ASP 84.A OD2 no hydrogen 3.181 N/A TYR 294.A OH ASP 77.A OD2 no hydrogen 2.561 N/A HIS 297.A N TYR 228.A O no hydrogen 2.529 N/A GLN 298.A NE2 ASP 66.A OD2 no hydrogen 3.164 N/A GLN 298.A NE2 HIS 229.A ND1 no hydrogen 2.831 N/A ARG 300.A N ILE 230.A O no hydrogen 2.767 N/A ARG 300.A NE ASP 255.A OD1 no hydrogen 2.723 N/A ARG 300.A NE ASP 255.A OD2 no hydrogen 3.348 N/A ARG 300.A NH1 GLN 298.A OE1 no hydrogen 3.386 N/A ARG 300.A NH1 ALA 299.A O no hydrogen 2.870 N/A ARG 300.A NH2 ASP 255.A OD2 no hydrogen 2.984 N/A ARG 300.A NH2 GLN 298.A OE1 no hydrogen 2.991 N/A VAL 301.A N GLU 274.A OE2 no hydrogen 2.999 N/A ILE 302.A N.A LEU 232.A O no hydrogen 2.948 N/A ILE 302.A N.B LEU 232.A O no hydrogen 2.939 N/A ARG 303.A N PHE 268.A O no hydrogen 2.885 N/A ARG 303.A NH1 LEU 304.A O no hydrogen 2.780 N/A LEU 304.A N ILE 234.A O.A no hydrogen 2.716 N/A LEU 304.A N ILE 234.A O.B no hydrogen 2.775 N/A ARG 306.A NH1 GLY 308.A O no hydrogen 3.128 N/A ARG 306.A NH1 SER 310.A O no hydrogen 2.898 N/A ALA 309.A N HIS 307.A ND1 no hydrogen 2.978 N/A SER 310.A N HIS 307.A O no hydrogen 2.850 N/A VAL 313.A N TYR 197.A O no hydrogen 2.797 N/A GLY 314.A N VAL 233.A O no hydrogen 2.914 N/A LEU 315.A N TYR 195.A O no hydrogen 3.008 N/A ALA 316.A N ALA 231.A O no hydrogen 3.083 N/A SER 318.A N HIS 229.A O no hydrogen 2.906 N/A SER 318.A OG ASP 322.A OD1 no hydrogen 2.538 N/A CYS 319.A SG SER 190.A OG no hydrogen 3.421 N/A CYS 319.A SG ALA 321.A O no hydrogen 3.699 N/A SER 320.A N CYS 225.A O no hydrogen 3.243 N/A SER 320.A OG CYS 225.A O no hydrogen 2.776 N/A ARG 323.A NE ALA 185.A O no hydrogen 2.906 N/A ARG 323.A NH1 ASP 108.A O no hydrogen 2.902 N/A ARG 323.A NH1 ALA 185.A O no hydrogen 3.086 N/A ARG 323.A NH2 ASP 108.A O no hydrogen 2.876 N/A GLN 324.A NE2 ASP 322.A OD1 no hydrogen 2.936 N/A GLN 324.A NE2 ASP 322.A OD2 no hydrogen 3.245 N/A ILE 325.A N.A PHE 183.A O no hydrogen 2.849 N/A ILE 325.A N.B PHE 183.A O no hydrogen 2.839 N/A LEU 326.A N GLU 337.A OE1 no hydrogen 2.941 N/A ALA 327.A N PHE 181.A O no hydrogen 3.074 N/A HIS 328.A N TYR 335.A O no hydrogen 2.974 N/A ILE 329.A N TYR 179.A O no hydrogen 2.761 N/A ASN 330.A N GLY 333.A O no hydrogen 2.997 N/A SER 332.A N ASN 330.A OD1 no hydrogen 2.721 N/A GLY 333.A N ASN 330.A O no hydrogen 2.929 N/A ILE 334.A N SER 26.A OG no hydrogen 2.750 N/A TYR 335.A N HIS 328.A O no hydrogen 2.877 N/A ILE 336.A N.A ALA 21.A O no hydrogen 2.865 N/A ILE 336.A N.B ALA 21.A O no hydrogen 2.855 N/A GLU 337.A N LEU 326.A O no hydrogen 2.790 N/A GLN 338.A N GLU 19.A O no hydrogen 2.811 N/A GLU 340.A N PHE 63.A O no hydrogen 2.897 N/A ASN 342.A N GLU 340.A OE2 no hydrogen 2.871 N/A GLN 345.A N ASN 342.A O no hydrogen 3.363 N/A GLN 345.A NE2 ASN 342.A O no hydrogen 3.364 N/A TYR 346.A N PRO 343.A O no hydrogen 2.998 N/A LEU 347.A N ALA 344.A O no hydrogen 2.955 N/A VAL 351.A N ARG 374.A O no hydrogen 3.031 N/A VAL 353.A N MET 376.A O no hydrogen 2.835 N/A LEU 355.A N ASN 378.A O no hydrogen 2.632 N/A LYS 356.A N ASP 354.A OD1 no hydrogen 3.008 N/A LYS 356.A NZ ASP 354.A OD1 no hydrogen 2.562 N/A LYS 361.A NZ GLN 364.A OE1 no hydrogen 2.991 N/A VAL 362.A N PRO 358.A O no hydrogen 3.165 N/A ARG 363.A N ILE 359.A O no hydrogen 2.842 N/A ARG 363.A NE GLY 470.A O no hydrogen 2.977 N/A ARG 363.A NH1 ASP 360.A OD1 no hydrogen 2.764 N/A ARG 363.A NH2 GLY 470.A O no hydrogen 3.175 N/A GLN 364.A N ASP 360.A O no hydrogen 2.996 N/A GLN 365.A N LYS 361.A O no hydrogen 3.032 N/A GLN 365.A NE2 LYS 352.A O no hydrogen 2.969 N/A LEU 366.A N VAL 362.A O no hydrogen 2.987 N/A SER 367.A N ARG 363.A O no hydrogen 2.975 N/A SER 367.A OG ASP 521.A OD1 no hydrogen 3.481 N/A SER 367.A OG ASP 521.A OD2 no hydrogen 2.555 N/A GLN 368.A N GLN 365.A O no hydrogen 3.063 N/A TYR 369.A N LEU 366.A O no hydrogen 3.110 N/A GLY 372.A N ILE 517.A O no hydrogen 2.764 N/A THR 373.A N PRO 370.A O no hydrogen 3.270 N/A THR 373.A OG1 PRO 370.A O no hydrogen 2.753 N/A VAL 375.A N ALA 515.A O no hydrogen 2.667 N/A MET 376.A N VAL 351.A O no hydrogen 2.808 N/A LEU 377.A N PHE 513.A O no hydrogen 2.825 N/A ASN 378.A N VAL 353.A O no hydrogen 2.966 N/A GLY 379.A N VAL 510.A O no hydrogen 2.975 N/A THR 380.A OG1 GLU 509.A OE1 no hydrogen 2.601 N/A THR 380.A OG1 GLU 509.A OE2 no hydrogen 3.468 N/A LEU 381.A N ILE 508.A O no hydrogen 2.881 N/A ILE 382.A N PRO 410.A O no hydrogen 3.007 N/A VAL 383.A N TRP 506.A O no hydrogen 2.758 N/A ALA 384.A N TYR 412.A O no hydrogen 3.017 N/A ILE 387.A N GLU 503.A OE2 no hydrogen 2.970 N/A HIS 389.A N ARG 385.A O no hydrogen 2.924 N/A HIS 389.A ND1 ARG 385.A O no hydrogen 2.694 N/A ALA 390.A N ASP 386.A O no hydrogen 3.044 N/A LYS 391.A N ILE 387.A O no hydrogen 2.825 N/A ILE 392.A N ALA 388.A O no hydrogen 2.898 N/A LYS 393.A N HIS 389.A O no hydrogen 2.920 N/A LYS 393.A NZ ASP 397.A OD2 no hydrogen 2.846 N/A GLU 394.A N ALA 390.A O no hydrogen 2.896 N/A MET 395.A N LYS 391.A O no hydrogen 2.904 N/A MET 396.A N ILE 392.A O no hydrogen 3.000 N/A ASP 397.A N LYS 393.A O no hydrogen 2.846 N/A ASN 398.A N GLU 394.A O no hydrogen 3.226 N/A ASN 398.A N MET 395.A O no hydrogen 2.989 N/A GLY 399.A N MET 396.A O no hydrogen 2.910 N/A GLU 400.A N MET 395.A O no hydrogen 3.001 N/A MET 406.A N PRO 403.A O no hydrogen 3.128 N/A LYS 407.A N GLU 404.A O no hydrogen 2.958 N/A LYS 407.A NZ HIS 446.A O no hydrogen 3.563 N/A ILE 411.A N ILE 451.A O no hydrogen 2.814 N/A TYR 412.A N ILE 382.A O no hydrogen 2.738 N/A TYR 412.A OH PHE 428.A O no hydrogen 2.817 N/A TYR 413.A N LEU 453.A O no hydrogen 2.934 N/A ALA 417.A N SER 427.A O no hydrogen 2.944 N/A LYS 418.A N LEU 145.A O no hydrogen 2.882 N/A LYS 418.A NZ TYR 140.A O no hydrogen 2.799 N/A LYS 418.A NZ HIS 143.A O no hydrogen 2.989 N/A LYS 418.A NZ TYR 147.A OH no hydrogen 2.847 N/A TYR 423.A N PRO 420.A O no hydrogen 3.029 N/A SER 425.A OG GLY 426.A O no hydrogen 2.511 N/A SER 427.A OG PRO 104.A O no hydrogen 2.670 N/A PHE 428.A N ALA 481.A O no hydrogen 3.333 N/A GLY 429.A N GLN 107.A OE1 no hydrogen 2.848 N/A ALA 431.A N TYR 413.A O no hydrogen 2.775 N/A THR 432.A OG1 ALA 223.A O no hydrogen 3.095 N/A ALA 433.A N LYS 455.A O no hydrogen 2.821 N/A ARG 435.A NE ASP 386.A OD1 no hydrogen 3.413 N/A ARG 435.A NE ASP 386.A OD2 no hydrogen 2.840 N/A ARG 435.A NH2 ASP 386.A OD1 no hydrogen 2.869 N/A MET 436.A N ALA 433.A O no hydrogen 2.919 N/A ASP 437.A N GLY 434.A O no hydrogen 3.206 N/A TYR 439.A N MET 436.A O no hydrogen 3.058 N/A VAL 440.A N ASP 437.A O no hydrogen 3.366 N/A PHE 443.A N TYR 439.A O no hydrogen 2.911 N/A GLN 444.A N VAL 440.A O no hydrogen 2.766 N/A GLN 444.A NE2 SER 449.A O no hydrogen 3.068 N/A SER 445.A N ASP 441.A O no hydrogen 2.849 N/A SER 445.A OG ASP 441.A O no hydrogen 3.406 N/A SER 445.A OG LEU 442.A O no hydrogen 2.690 N/A SER 445.A OG HIS 446.A ND1 no hydrogen 3.260 N/A HIS 446.A N LEU 442.A O no hydrogen 3.250 N/A HIS 446.A N PHE 443.A O no hydrogen 2.985 N/A HIS 446.A ND1 LEU 442.A O no hydrogen 3.210 N/A HIS 446.A ND1 SER 445.A OG no hydrogen 3.260 N/A GLY 447.A N GLN 444.A O no hydrogen 2.979 N/A GLY 448.A N PHE 443.A O no hydrogen 2.994 N/A SER 449.A N MET 406.A O no hydrogen 3.024 N/A THR 452.A N PHE 472.A O no hydrogen 3.173 N/A LEU 453.A N ILE 411.A O no hydrogen 2.764 N/A ALA 454.A N LEU 474.A O no hydrogen 3.159 N/A LYS 455.A N ALA 431.A O no hydrogen 3.149 N/A LYS 455.A NZ ALA 223.A O no hydrogen 2.768 N/A LYS 455.A NZ THR 432.A OG1 no hydrogen 3.209 N/A ARG 458.A NE ASP 437.A OD1 no hydrogen 2.736 N/A ARG 458.A NH1 TYR 413.A OH no hydrogen 3.300 N/A ARG 458.A NH2 TYR 413.A OH no hydrogen 3.013 N/A ARG 458.A NH2 ASP 437.A OD1 no hydrogen 3.115 N/A SER 459.A N ASP 437.A OD2 no hydrogen 2.867 N/A SER 459.A OG ASP 437.A OD2 no hydrogen 2.736 N/A GLN 461.A NE2 SER 459.A OG no hydrogen 3.100 N/A VAL 462.A N SER 459.A O no hydrogen 3.087 N/A ASP 464.A N LYS 460.A O no hydrogen 2.887 N/A ALA 465.A N GLN 461.A O no hydrogen 2.965 N/A CYS 466.A N VAL 462.A O no hydrogen 2.973 N/A CYS 466.A SG VAL 462.A O no hydrogen 3.456 N/A LYS 467.A N THR 463.A O no hydrogen 3.121 N/A LYS 468.A N ASP 464.A O no hydrogen 2.886 N/A LYS 468.A NZ ASP 441.A OD1 no hydrogen 3.031 N/A HIS 469.A N ALA 465.A O no hydrogen 2.833 N/A HIS 469.A NE2 ASP 441.A OD1 no hydrogen 2.974 N/A GLY 471.A N CYS 466.A O no hydrogen 2.764 N/A PHE 472.A N TYR 450.A O no hydrogen 2.838 N/A TYR 473.A N VAL 519.A O no hydrogen 2.972 N/A TYR 473.A OH GLY 456.A O no hydrogen 2.739 N/A LEU 474.A N THR 452.A O no hydrogen 2.806 N/A GLY 475.A N PHE 516.A O no hydrogen 2.700 N/A SER 476.A N ALA 454.A O no hydrogen 2.678 N/A SER 476.A OG ILE 477.A O no hydrogen 2.806 N/A GLY 478.A N GLN 289.A OE1 no hydrogen 2.877 N/A ALA 481.A N GLY 479.A O no hydrogen 2.757 N/A ILE 483.A N ASN 94.A OD1 no hydrogen 2.863 N/A LEU 484.A N PRO 480.A O no hydrogen 3.134 N/A ALA 485.A N ALA 481.A O no hydrogen 3.123 N/A LYS 486.A N ALA 482.A O no hydrogen 2.880 N/A LYS 486.A NZ ASP 487.A OD1 no hydrogen 3.344 N/A ASP 487.A N ILE 483.A O no hydrogen 2.881 N/A SER 488.A N LEU 484.A O no hydrogen 2.776 N/A SER 488.A OG GLU 511.A O no hydrogen 2.767 N/A SER 488.A OG ASP 512.A O no hydrogen 2.998 N/A ILE 489.A N LEU 484.A O no hydrogen 3.038 N/A LYS 490.A N GLU 509.A O no hydrogen 2.773 N/A LYS 490.A NZ ASP 487.A O no hydrogen 3.109 N/A GLN 491.A N GLU 509.A O no hydrogen 3.426 N/A THR 493.A N LYS 507.A O no hydrogen 2.940 N/A THR 493.A OG1 LYS 507.A O no hydrogen 3.420 N/A CYS 494.A SG ALA 496.A O no hydrogen 3.908 N/A CYS 494.A SG VAL 505.A O no hydrogen 3.908 N/A LEU 495.A N VAL 505.A O no hydrogen 2.802 N/A ALA 496.A N VAL 505.A O no hydrogen 3.259 N/A GLU 499.A N GLU 499.A OE2 no hydrogen 2.550 N/A LEU 500.A N PHE 497.A O no hydrogen 3.113 N/A GLY 501.A N PRO 498.A O no hydrogen 3.146 N/A GLU 503.A N LEU 500.A O no hydrogen 3.199 N/A ALA 504.A N GLY 501.A O no hydrogen 3.057 N/A VAL 505.A N ALA 496.A O no hydrogen 2.942 N/A TRP 506.A N VAL 383.A O no hydrogen 3.032 N/A TRP 506.A NE1 MET 502.A O no hydrogen 3.171 N/A LYS 507.A N THR 493.A O no hydrogen 2.760 N/A LYS 507.A NZ GLU 509.A OE2 no hydrogen 2.950 N/A ILE 508.A N LEU 381.A O no hydrogen 3.010 N/A GLU 509.A N GLN 491.A O no hydrogen 2.938 N/A VAL 510.A N GLY 379.A O no hydrogen 2.923 N/A GLU 511.A N SER 488.A O no hydrogen 2.724 N/A ASP 512.A N ASN 378.A OD1 no hydrogen 2.895 N/A PHE 513.A N LEU 377.A O no hydrogen 3.110 N/A ALA 515.A N VAL 375.A O no hydrogen 3.016 N/A PHE 516.A N GLY 475.A O no hydrogen 2.904 N/A ILE 517.A N THR 373.A O no hydrogen 2.848 N/A VAL 518.A N TYR 473.A O no hydrogen 2.947 N/A VAL 519.A N TYR 473.A O no hydrogen 3.128 N/A ASP 520.A N ASN 524.A O no hydrogen 3.315 N/A LYS 522.A N ASP 520.A OD1 no hydrogen 2.876 N/A LYS 522.A NZ SER 367.A O no hydrogen 2.819 N/A LYS 522.A NZ SER 367.A OG no hydrogen 3.231 N/A LYS 522.A NZ ASP 521.A OD1 no hydrogen 2.698 N/A ASN 524.A N ASP 520.A OD1 no hydrogen 2.988 N/A ASN 524.A ND2 ASP 520.A OD1 no hydrogen 3.550 N/A ASN 524.A ND2 ASP 520.A OD2 no hydrogen 2.819 N/A MET 526.A N VAL 518.A O no hydrogen 2.852 N/A TYR 527.A N ASP 525.A OD1 no hydrogen 2.974 N/A TYR 527.A OH GLN 289.A O no hydrogen 2.597 N/A SER 528.A N ASP 525.A O no hydrogen 2.930 N/A SER 528.A OG ASP 525.A O no hydrogen 3.010 N/A LEU 531.A N TYR 527.A O no hydrogen 2.863 N/A