Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dtu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 GLU 536.A OE2 no hydrogen 3.323 N/A ARG 7.A N GLY 3.A O no hydrogen 2.877 N/A ARG 7.A NH2 ASP 16.A OD1 no hydrogen 3.160 N/A TRP 8.A N PHE 4.A O no hydrogen 3.274 N/A MET 10.A N PHE 5.A O no hydrogen 3.269 N/A SER 11.A N TRP 8.A O no hydrogen 3.181 N/A SER 11.A OG ASP 16.A OD2 no hydrogen 2.596 N/A ASN 13.A N SER 11.A OG no hydrogen 3.226 N/A HIS 14.A N ASP 120.A OD1 no hydrogen 3.182 N/A HIS 14.A ND1 ASN 109.A O no hydrogen 2.840 N/A LYS 15.A N ASN 13.A OD1 no hydrogen 3.030 N/A LYS 15.A NZ ASN 13.A OD1 no hydrogen 2.918 N/A LYS 15.A NZ PRO 535.A O no hydrogen 3.288 N/A LYS 15.A NZ GLU 536.A O no hydrogen 3.047 N/A ILE 17.A N ASN 13.A O no hydrogen 2.965 N/A GLY 18.A N HIS 14.A O no hydrogen 2.811 N/A VAL 19.A N LYS 15.A O no hydrogen 3.135 N/A LEU 20.A N ASP 16.A O no hydrogen 2.959 N/A TYR 21.A N ILE 17.A O no hydrogen 2.916 N/A TYR 21.A OH SER 130.A OG no hydrogen 2.719 N/A TYR 21.A OH SER 188.A OG no hydrogen 3.277 N/A LEU 22.A N GLY 18.A O no hydrogen 2.987 N/A PHE 23.A N VAL 19.A O no hydrogen 3.031 N/A THR 24.A N LEU 20.A O no hydrogen 3.028 N/A THR 24.A OG1 LEU 20.A O no hydrogen 2.595 N/A THR 24.A OG1 TYR 131.A OH no hydrogen 2.760 N/A GLY 25.A N TYR 21.A O no hydrogen 2.889 N/A GLY 26.A N LEU 22.A O no hydrogen 3.030 N/A LEU 27.A N PHE 23.A O no hydrogen 2.889 N/A VAL 28.A N THR 24.A O no hydrogen 2.829 N/A GLY 29.A N GLY 25.A O no hydrogen 2.756 N/A LEU 30.A N GLY 26.A O no hydrogen 2.961 N/A ILE 31.A N LEU 27.A O no hydrogen 3.118 N/A SER 32.A N VAL 28.A O no hydrogen 2.924 N/A SER 32.A OG HIS 90.A ND1 no hydrogen 2.870 N/A SER 32.A OG HIS 90.A O no hydrogen 3.025 N/A VAL 33.A N GLY 29.A O no hydrogen 2.813 N/A ALA 34.A N LEU 30.A O no hydrogen 2.884 N/A PHE 35.A N ILE 31.A O no hydrogen 3.093 N/A THR 36.A N SER 32.A O no hydrogen 3.330 N/A THR 36.A OG1 VAL 33.A O no hydrogen 2.675 N/A VAL 37.A N VAL 33.A O no hydrogen 3.174 N/A TYR 38.A N ALA 34.A O no hydrogen 3.268 N/A TYR 38.A OH SER 67.A O no hydrogen 2.797 N/A MET 39.A N PHE 35.A O no hydrogen 2.833 N/A ARG 40.A N THR 36.A O no hydrogen 2.870 N/A ARG 40.A NE SER 486.A OG no hydrogen 3.008 N/A ARG 40.A NH1 ASN 482.A O no hydrogen 3.034 N/A ARG 40.A NH1 ASN 482.A OD1 no hydrogen 3.093 N/A ARG 40.A NH1 SER 486.A OG no hydrogen 3.415 N/A MET 41.A N VAL 37.A O no hydrogen 2.794 N/A GLU 42.A N TYR 38.A O no hydrogen 2.992 N/A LEU 43.A N MET 39.A O no hydrogen 2.954 N/A MET 44.A N MET 41.A O no hydrogen 3.349 N/A GLY 47.A N ASP 473.A OD1 no hydrogen 2.743 N/A GLN 49.A N GLU 42.A OE1 no hydrogen 3.042 N/A GLN 49.A N GLU 42.A OE2 no hydrogen 3.376 N/A GLN 49.A NE2 ALA 45.A O no hydrogen 3.596 N/A PHE 50.A N GLU 42.A OE2 no hydrogen 2.825 N/A MET 51.A N GLU 42.A OE2 no hydrogen 2.922 N/A CYS 52.A SG GLN 49.A O no hydrogen 3.722 N/A CYS 52.A SG HIS 55.A NE2 no hydrogen 3.653 N/A ALA 53.A N THR 77.A O no hydrogen 2.725 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.790 N/A HIS 55.A N CYS 52.A O no hydrogen 3.104 N/A LEU 56.A N ALA 53.A O no hydrogen 3.032 N/A SER 58.A OG GLN 66.A OE1 no hydrogen 2.585 N/A GLY 63.A N GLY 59.A O no hydrogen 3.198 N/A PHE 64.A N LEU 60.A O no hydrogen 3.224 N/A PHE 65.A N VAL 61.A O no hydrogen 3.141 N/A GLN 66.A N LYS 62.A O no hydrogen 2.998 N/A SER 67.A N GLY 63.A O no hydrogen 3.069 N/A SER 67.A OG GLY 63.A O no hydrogen 2.827 N/A LEU 68.A N PHE 65.A O no hydrogen 3.338 N/A TRP 69.A N GLN 66.A O no hydrogen 3.279 N/A SER 71.A N GLN 49.A O no hydrogen 2.678 N/A ASN 75.A N ALA 72.A O no hydrogen 3.002 N/A CYS 76.A N VAL 73.A O no hydrogen 2.980 N/A CYS 76.A SG VAL 48.A O no hydrogen 3.364 N/A THR 77.A N GLU 54.A OE1 no hydrogen 2.807 N/A THR 77.A OG1 GLU 54.A OE2 no hydrogen 2.685 N/A ASN 79.A N MET 51.A O no hydrogen 2.856 N/A ASN 79.A ND2 GLN 153.A OE1 no hydrogen 2.930 N/A HIS 81.A N ASN 79.A OD1 no hydrogen 3.324 N/A HIS 81.A NE2 LEU 154.A O no hydrogen 3.067 N/A HIS 81.A NE2 GLY 155.A O no hydrogen 3.041 N/A LEU 82.A N ASN 79.A O no hydrogen 3.254 N/A ASN 84.A N GLY 80.A O no hydrogen 2.933 N/A VAL 85.A N HIS 81.A O no hydrogen 2.876 N/A MET 86.A N LEU 82.A O no hydrogen 2.908 N/A ILE 87.A N TRP 83.A O no hydrogen 3.045 N/A THR 88.A N ASN 84.A O no hydrogen 3.075 N/A THR 88.A OG1 ASN 84.A O no hydrogen 2.549 N/A THR 88.A OG1 SER 156.A O no hydrogen 3.438 N/A GLY 89.A N VAL 85.A O no hydrogen 2.842 N/A HIS 90.A N MET 86.A O no hydrogen 2.811 N/A HIS 90.A ND1 SER 32.A OG no hydrogen 2.870 N/A GLY 91.A N ILE 87.A O no hydrogen 3.068 N/A ILE 92.A N THR 88.A O no hydrogen 2.868 N/A LEU 93.A N GLY 89.A O no hydrogen 2.917 N/A MET 94.A N HIS 90.A O no hydrogen 3.033 N/A MET 95.A N GLY 91.A O no hydrogen 2.983 N/A PHE 96.A N ILE 92.A O no hydrogen 3.012 N/A PHE 97.A N LEU 93.A O no hydrogen 2.746 N/A VAL 99.A N MET 94.A O no hydrogen 3.453 N/A ALA 102.A N VAL 98.A O no hydrogen 3.102 N/A LEU 103.A N VAL 99.A O no hydrogen 2.929 N/A PHE 104.A N ILE 100.A O no hydrogen 2.775 N/A GLY 105.A N ILE 100.A O no hydrogen 3.182 N/A PHE 107.A N ALA 102.A O no hydrogen 3.081 N/A GLY 108.A N LEU 103.A O no hydrogen 2.877 N/A ASN 109.A N PHE 104.A O no hydrogen 3.241 N/A ASN 109.A ND2 GLY 105.A O no hydrogen 2.815 N/A TYR 110.A N GLY 106.A O no hydrogen 2.991 N/A PHE 111.A N PHE 107.A O no hydrogen 2.751 N/A MET 112.A N GLY 108.A O no hydrogen 3.134 N/A HIS 115.A N PHE 111.A O no hydrogen 2.723 N/A HIS 115.A NE2 GLU 527.A OE2 no hydrogen 2.945 N/A ILE 116.A N MET 112.A O no hydrogen 3.163 N/A ILE 116.A N PRO 113.A O no hydrogen 3.250 N/A GLY 117.A N LEU 114.A O no hydrogen 3.310 N/A ALA 118.A N PRO 113.A O no hydrogen 2.870 N/A MET 121.A N ASP 120.A OD1 no hydrogen 2.868 N/A ALA 122.A N THR 199.A OG1 no hydrogen 2.845 N/A PHE 123.A N ASN 195.A OD1 no hydrogen 2.751 N/A ASN 127.A N PHE 123.A O no hydrogen 2.983 N/A ASN 127.A ND2 ASN 109.A OD1 no hydrogen 3.208 N/A ASN 128.A N PRO 124.A O no hydrogen 3.158 N/A LEU 129.A N ARG 125.A O no hydrogen 3.044 N/A SER 130.A N MET 126.A O no hydrogen 2.851 N/A SER 130.A OG TYR 21.A OH no hydrogen 2.719 N/A SER 130.A OG ASN 127.A O no hydrogen 2.618 N/A TYR 131.A N ASN 127.A O no hydrogen 3.429 N/A TYR 131.A OH THR 24.A OG1 no hydrogen 2.760 N/A TRP 132.A N ASN 128.A O no hydrogen 3.266 N/A TRP 132.A NE1 PHE 9.A O no hydrogen 3.200 N/A LEU 133.A N LEU 129.A O no hydrogen 2.906 N/A TYR 134.A N SER 130.A O no hydrogen 3.121 N/A TYR 134.A OH PHE 97.A O no hydrogen 2.857 N/A VAL 135.A N TYR 131.A O no hydrogen 3.017 N/A ALA 136.A N TRP 132.A O no hydrogen 2.901 N/A GLY 137.A N LEU 133.A O no hydrogen 2.894 N/A THR 138.A N TYR 134.A O no hydrogen 2.944 N/A THR 138.A OG1 TYR 134.A O no hydrogen 2.901 N/A SER 139.A N VAL 135.A O no hydrogen 2.868 N/A SER 139.A OG VAL 135.A O no hydrogen 2.882 N/A LEU 140.A N ALA 136.A O no hydrogen 3.048 N/A ALA 141.A N GLY 137.A O no hydrogen 2.947 N/A VAL 142.A N THR 138.A O no hydrogen 2.935 N/A ALA 143.A N SER 139.A O no hydrogen 2.803 N/A SER 144.A N LEU 140.A O no hydrogen 2.836 N/A SER 144.A OG ALA 141.A O no hydrogen 2.619 N/A LEU 145.A N VAL 142.A O no hydrogen 3.118 N/A PHE 146.A N ALA 143.A O no hydrogen 3.016 N/A ALA 147.A N SER 144.A O no hydrogen 3.398 N/A GLY 149.A N GLN 153.A O no hydrogen 2.790 N/A GLY 150.A N GLY 155.A O no hydrogen 3.163 N/A ASN 151.A ND2 HIS 81.A ND1 no hydrogen 2.966 N/A GLN 153.A N GLY 150.A O no hydrogen 3.007 N/A GLN 153.A NE2 ASN 79.A OD1 no hydrogen 2.993 N/A GLY 155.A N ALA 147.A O no hydrogen 2.932 N/A SER 156.A OG THR 175.A OG1 no hydrogen 2.611 N/A GLY 157.A N GLU 170.A OE2 no hydrogen 2.912 N/A GLY 159.A N THR 88.A OG1 no hydrogen 2.954 N/A LEU 162.A N GLY 159.A O no hydrogen 3.130 N/A SER 167.A N TYR 163.A O no hydrogen 2.866 N/A SER 167.A OG LEU 162.A O no hydrogen 2.641 N/A THR 168.A OG1 PRO 165.A O no hydrogen 3.185 N/A SER 169.A N LEU 166.A O no hydrogen 3.172 N/A SER 169.A OG PRO 165.A O no hydrogen 2.683 N/A SER 169.A OG LEU 166.A O no hydrogen 3.176 N/A GLU 170.A N LEU 166.A O no hydrogen 2.997 N/A SER 171.A OG GLY 149.A O no hydrogen 2.976 N/A TYR 173.A N PRO 148.A O no hydrogen 2.931 N/A SER 174.A N PRO 148.A O no hydrogen 2.958 N/A SER 174.A OG SER 144.A O no hydrogen 2.554 N/A THR 175.A OG1 SER 156.A OG no hydrogen 2.611 N/A LEU 177.A N TYR 173.A O no hydrogen 3.073 N/A ALA 178.A N SER 174.A O no hydrogen 3.103 N/A ILE 179.A N THR 175.A O no hydrogen 3.035 N/A PHE 180.A N ASP 176.A O no hydrogen 2.975 N/A ALA 181.A N LEU 177.A O no hydrogen 2.904 N/A VAL 182.A N ALA 178.A O no hydrogen 3.077 N/A HIS 183.A N ILE 179.A O no hydrogen 2.941 N/A LEU 184.A N PHE 180.A O no hydrogen 2.909 N/A SER 185.A N ALA 181.A O no hydrogen 2.888 N/A SER 185.A OG PHE 96.A O no hydrogen 3.374 N/A GLY 186.A N VAL 182.A O no hydrogen 2.908 N/A ALA 187.A N HIS 183.A O no hydrogen 2.991 N/A SER 188.A N LEU 184.A O no hydrogen 3.057 N/A SER 188.A OG TYR 21.A OH no hydrogen 3.277 N/A SER 188.A OG SER 130.A O no hydrogen 2.887 N/A SER 189.A N SER 185.A O no hydrogen 2.974 N/A SER 189.A OG SER 185.A O no hydrogen 3.194 N/A ILE 190.A N GLY 186.A O no hydrogen 2.910 N/A LEU 191.A N ALA 187.A O no hydrogen 2.874 N/A GLY 192.A N SER 188.A O no hydrogen 3.071 N/A ALA 193.A N SER 189.A O no hydrogen 2.905 N/A ILE 194.A N ILE 190.A O no hydrogen 2.874 N/A ASN 195.A N LEU 191.A O no hydrogen 3.130 N/A ASN 195.A ND2 PHE 123.A O no hydrogen 2.898 N/A MET 196.A N GLY 192.A O no hydrogen 2.892 N/A ILE 197.A N ALA 193.A O no hydrogen 3.059 N/A THR 198.A N ILE 194.A O no hydrogen 3.043 N/A THR 198.A OG1 ILE 194.A O no hydrogen 2.793 N/A THR 199.A N ASN 195.A O no hydrogen 2.940 N/A THR 199.A OG1 ASN 195.A O no hydrogen 2.828 N/A PHE 200.A N MET 196.A O no hydrogen 2.955 N/A LEU 201.A N ILE 197.A O no hydrogen 3.088 N/A ASN 202.A N THR 198.A O no hydrogen 2.902 N/A MET 203.A N THR 199.A O no hydrogen 2.917 N/A ARG 204.A NE PHE 200.A O no hydrogen 2.897 N/A ARG 204.A NH1 MET 208.A O no hydrogen 3.059 N/A ARG 204.A NH2 LEU 201.A O no hydrogen 3.312 N/A ALA 205.A N ILE 116.A O no hydrogen 2.821 N/A MET 208.A N ALA 205.A O no hydrogen 2.858 N/A LYS 212.A N THR 209.A O no hydrogen 2.844 N/A VAL 213.A N MET 210.A O no hydrogen 3.463 N/A PHE 216.A N HIS 288.A NE2 no hydrogen 2.918 N/A TRP 218.A N PRO 214.A O no hydrogen 3.195 N/A TRP 218.A NE1 MET 210.A O no hydrogen 3.090 N/A TRP 218.A NE1 TYR 301.A OH no hydrogen 3.065 N/A SER 219.A N LEU 215.A O no hydrogen 2.872 N/A SER 219.A OG PHE 216.A O no hydrogen 2.567 N/A ILE 220.A N PHE 216.A O no hydrogen 3.026 N/A PHE 221.A N ALA 217.A O no hydrogen 2.978 N/A VAL 222.A N TRP 218.A O no hydrogen 2.864 N/A THR 223.A N SER 219.A O no hydrogen 3.023 N/A THR 223.A OG1 SER 219.A O no hydrogen 2.702 N/A ALA 224.A N ILE 220.A O no hydrogen 2.989 N/A TRP 225.A N PHE 221.A O no hydrogen 3.415 N/A LEU 226.A N VAL 222.A O no hydrogen 3.304 N/A ILE 227.A N THR 223.A O no hydrogen 3.054 N/A LEU 228.A N ALA 224.A O no hydrogen 3.175 N/A LEU 229.A N TRP 225.A O no hydrogen 3.208 N/A LEU 229.A N LEU 226.A O no hydrogen 3.240 N/A ALA 230.A N LEU 226.A O no hydrogen 2.780 N/A LEU 231.A N ILE 227.A O no hydrogen 2.954 N/A LEU 234.A N ALA 230.A O no hydrogen 3.260 N/A ALA 235.A N LEU 231.A O no hydrogen 2.961 N/A GLY 236.A N PRO 232.A O no hydrogen 3.088 N/A ALA 237.A N VAL 233.A O no hydrogen 3.063 N/A ILE 238.A N LEU 234.A O no hydrogen 2.907 N/A THR 239.A N ALA 235.A O no hydrogen 3.040 N/A THR 239.A OG1 HIS 183.A NE2 no hydrogen 2.996 N/A THR 239.A OG1 ALA 235.A O no hydrogen 2.531 N/A MET 240.A N GLY 236.A O no hydrogen 2.969 N/A LEU 241.A N ALA 237.A O no hydrogen 3.266 N/A LEU 242.A N ILE 238.A O no hydrogen 3.010 N/A THR 243.A N THR 239.A O no hydrogen 2.861 N/A THR 243.A OG1 THR 239.A O no hydrogen 3.470 N/A THR 243.A OG1 MET 240.A O no hydrogen 3.102 N/A THR 243.A OG1 THR 249.A OG1 no hydrogen 2.821 N/A ASP 244.A N MET 240.A O no hydrogen 2.975 N/A ARG 245.A N LEU 241.A O no hydrogen 2.972 N/A ARG 245.A NE ASP 176.A OD2 no hydrogen 2.906 N/A ARG 245.A NH1 SER 167.A O no hydrogen 2.885 N/A ARG 245.A NH1 GLU 170.A O no hydrogen 2.792 N/A ARG 245.A NH2 GLU 170.A O no hydrogen 3.413 N/A ARG 245.A NH2 ASP 176.A OD1 no hydrogen 2.953 N/A ASN 246.A N LEU 242.A O no hydrogen 2.928 N/A ASN 246.A ND2 ASP 176.A OD2 no hydrogen 2.765 N/A ASN 246.A ND2 LEU 242.A O no hydrogen 3.014 N/A PHE 247.A N THR 243.A O no hydrogen 2.759 N/A THR 249.A OG1 THR 243.A OG1 no hydrogen 2.821 N/A THR 249.A OG1 ASP 244.A OD1 no hydrogen 2.608 N/A THR 250.A OG1 GLY 256.A O no hydrogen 3.219 N/A PHE 251.A N ASP 244.A OD1 no hydrogen 2.906 N/A PHE 252.A N ASP 244.A OD2 no hydrogen 2.878 N/A GLN 253.A N THR 250.A O no hydrogen 3.407 N/A GLN 253.A NE2 THR 168.A OG1 no hydrogen 2.953 N/A GLN 253.A NE2 ASP 244.A OD2 no hydrogen 2.941 N/A GLY 256.A N GLN 253.A O no hydrogen 3.054 N/A GLY 257.A N PRO 254.A O no hydrogen 2.992 N/A GLY 258.A N GLN 253.A O no hydrogen 2.838 N/A ASP 259.A N PHE 251.A O no hydrogen 3.131 N/A VAL 261.A N ASP 259.A OD1 no hydrogen 3.230 N/A LEU 262.A N ASP 259.A O no hydrogen 3.064 N/A TYR 263.A N PRO 260.A O no hydrogen 3.228 N/A TYR 263.A OH VAL 161.A O no hydrogen 2.766 N/A HIS 265.A N VAL 261.A O no hydrogen 3.264 N/A ILE 266.A N LEU 262.A O no hydrogen 3.255 N/A LEU 267.A N TYR 263.A O no hydrogen 2.735 N/A TRP 268.A N GLN 264.A O no hydrogen 2.788 N/A TRP 268.A NE1 TYR 163.A OH no hydrogen 2.766 N/A PHE 269.A N HIS 265.A O no hydrogen 3.058 N/A PHE 270.A N ILE 266.A O no hydrogen 3.453 N/A GLY 271.A N LEU 267.A O no hydrogen 2.712 N/A HIS 272.A N TRP 268.A O no hydrogen 2.999 N/A GLU 274.A N PHE 270.A O no hydrogen 2.904 N/A VAL 275.A N HIS 272.A O no hydrogen 2.962 N/A ILE 277.A N PRO 273.A O no hydrogen 2.795 N/A ILE 278.A N GLU 274.A O no hydrogen 3.035 N/A VAL 279.A N VAL 275.A O no hydrogen 3.140 N/A LEU 280.A N TYR 276.A O no hydrogen 3.025 N/A PHE 283.A N VAL 279.A O no hydrogen 2.921 N/A GLY 284.A N LEU 280.A O no hydrogen 3.005 N/A ILE 285.A N PRO 281.A O no hydrogen 3.089 N/A VAL 286.A N ALA 282.A O no hydrogen 3.003 N/A SER 287.A N PHE 283.A O no hydrogen 2.987 N/A HIS 288.A N GLY 284.A O no hydrogen 3.250 N/A VAL 289.A N ILE 285.A O no hydrogen 2.949 N/A ILE 290.A N VAL 286.A O no hydrogen 2.919 N/A ALA 291.A N SER 287.A O no hydrogen 3.217 N/A THR 292.A N HIS 288.A O no hydrogen 3.180 N/A THR 292.A OG1 HIS 288.A O no hydrogen 2.922 N/A PHE 293.A N VAL 289.A O no hydrogen 3.113 N/A ALA 294.A N ILE 290.A O no hydrogen 2.864 N/A LYS 295.A N THR 292.A O no hydrogen 3.221 N/A LYS 295.A NZ SER 362.A O no hydrogen 3.074 N/A LYS 296.A N ALA 291.A O no hydrogen 3.066 N/A LYS 296.A NZ ALA 356.A O no hydrogen 2.978 N/A LYS 296.A NZ THR 357.A O no hydrogen 3.150 N/A LYS 296.A NZ TRP 359.A O no hydrogen 2.978 N/A PHE 299.A N THR 357.A OG1 no hydrogen 2.924 N/A TYR 301.A OH MET 210.A O no hydrogen 3.342 N/A TYR 301.A OH VAL 213.A O no hydrogen 2.600 N/A MET 304.A N GLY 300.A O no hydrogen 2.967 N/A VAL 305.A N TYR 301.A O no hydrogen 3.086 N/A TYR 306.A N LEU 302.A O no hydrogen 2.857 N/A ALA 307.A N PRO 303.A O no hydrogen 2.741 N/A MET 308.A N MET 304.A O no hydrogen 3.376 N/A VAL 309.A N VAL 305.A O no hydrogen 3.148 N/A ALA 310.A N TYR 306.A O no hydrogen 2.830 N/A ILE 311.A N ALA 307.A O no hydrogen 2.837 N/A GLY 312.A N MET 308.A O no hydrogen 2.952 N/A VAL 313.A N VAL 309.A O no hydrogen 3.038 N/A LEU 314.A N ALA 310.A O no hydrogen 2.899 N/A GLY 315.A N ILE 311.A O no hydrogen 2.851 N/A PHE 316.A N VAL 313.A O no hydrogen 2.983 N/A VAL 317.A N LEU 314.A O no hydrogen 3.094 N/A TRP 319.A NE1 HIS 265.A ND1 no hydrogen 3.005 N/A HIS 321.A N VAL 318.A O no hydrogen 3.207 N/A HIS 321.A ND1 THR 340.A OG1 no hydrogen 2.660 N/A HIS 322.A N TRP 319.A O no hydrogen 3.228 N/A MET 323.A N ALA 320.A O no hydrogen 2.860 N/A TYR 324.A OH SER 390.A O no hydrogen 2.608 N/A ALA 326.A N MET 323.A O no hydrogen 3.026 N/A SER 329.A N GLN 332.A OE1 no hydrogen 2.987 N/A GLN 332.A N SER 329.A OG no hydrogen 3.106 N/A GLN 333.A N SER 329.A O no hydrogen 2.991 N/A GLN 333.A NE2 LEU 328.A O no hydrogen 2.737 N/A SER 334.A N LEU 330.A O no hydrogen 2.972 N/A SER 334.A OG LEU 330.A O no hydrogen 2.828 N/A TYR 335.A N THR 331.A O no hydrogen 3.050 N/A TYR 335.A OH VAL 317.A O no hydrogen 2.926 N/A PHE 336.A N GLN 332.A O no hydrogen 3.048 N/A MET 337.A N GLN 333.A O no hydrogen 3.013 N/A MET 338.A N SER 334.A O no hydrogen 3.118 N/A ALA 339.A N TYR 335.A O no hydrogen 2.809 N/A THR 340.A N PHE 336.A O no hydrogen 2.991 N/A THR 340.A OG1 HIS 321.A ND1 no hydrogen 2.660 N/A THR 340.A OG1 PHE 336.A O no hydrogen 2.705 N/A MET 341.A N MET 337.A O no hydrogen 3.074 N/A VAL 342.A N MET 338.A O no hydrogen 3.368 N/A VAL 342.A N ALA 339.A O no hydrogen 3.190 N/A ILE 343.A N THR 340.A O no hydrogen 3.107 N/A ALA 344.A N MET 341.A O no hydrogen 3.244 N/A VAL 345.A N VAL 342.A O no hydrogen 2.930 N/A THR 347.A N ILE 343.A O no hydrogen 3.326 N/A THR 347.A OG1 ILE 343.A O no hydrogen 2.996 N/A GLY 348.A N ALA 344.A O no hydrogen 2.874 N/A ILE 349.A N VAL 345.A O no hydrogen 3.073 N/A LYS 350.A N PRO 346.A O no hydrogen 3.329 N/A LYS 350.A NZ MET 304.A O no hydrogen 3.207 N/A ILE 351.A N THR 347.A O no hydrogen 3.071 N/A PHE 352.A N GLY 348.A O no hydrogen 2.934 N/A SER 353.A N ILE 349.A O no hydrogen 2.911 N/A SER 353.A OG ILE 349.A O no hydrogen 2.778 N/A TRP 354.A N LYS 350.A O no hydrogen 2.979 N/A TRP 354.A NE1 SER 287.A OG no hydrogen 2.864 N/A ILE 355.A N ILE 351.A O no hydrogen 3.149 N/A ALA 356.A N PHE 352.A O no hydrogen 2.889 N/A THR 357.A N SER 353.A O no hydrogen 2.817 N/A THR 357.A OG1 SER 353.A O no hydrogen 2.743 N/A MET 358.A N TRP 354.A O no hydrogen 3.168 N/A TRP 359.A N ILE 355.A O no hydrogen 2.962 N/A TRP 359.A N ALA 356.A O no hydrogen 3.260 N/A GLY 361.A N MET 358.A O no hydrogen 3.071 N/A SER 362.A N ALA 294.A O no hydrogen 2.858 N/A GLU 364.A N PHE 293.A O no hydrogen 2.804 N/A LYS 366.A NZ GLU 438.A OE1 no hydrogen 3.466 N/A THR 367.A N GLU 438.A OE2 no hydrogen 2.735 N/A THR 367.A OG1 GLU 438.A OE2 no hydrogen 2.830 N/A LEU 370.A N LYS 366.A O no hydrogen 3.122 N/A TRP 371.A N THR 367.A O no hydrogen 3.222 N/A ALA 372.A N PRO 368.A O no hydrogen 3.189 N/A LEU 373.A N MET 369.A O no hydrogen 2.926 N/A GLY 374.A N LEU 370.A O no hydrogen 2.912 N/A PHE 375.A N TRP 371.A O no hydrogen 2.885 N/A LEU 376.A N ALA 372.A O no hydrogen 3.083 N/A PHE 377.A N LEU 373.A O no hydrogen 3.334 N/A LEU 378.A N GLY 374.A O no hydrogen 2.792 N/A PHE 379.A N PHE 375.A O no hydrogen 2.761 N/A THR 380.A N LEU 376.A O no hydrogen 3.249 N/A THR 380.A OG1 LEU 376.A O no hydrogen 2.809 N/A VAL 381.A N PHE 377.A O no hydrogen 3.182 N/A GLY 382.A N LEU 378.A O no hydrogen 3.037 N/A GLY 383.A N PHE 379.A O no hydrogen 2.835 N/A VAL 384.A N THR 380.A O no hydrogen 3.016 N/A THR 385.A N VAL 381.A O no hydrogen 3.454 N/A THR 385.A OG1 VAL 381.A O no hydrogen 3.556 N/A THR 385.A OG1 GLY 382.A O no hydrogen 3.090 N/A GLY 386.A N GLY 382.A O no hydrogen 3.170 N/A ILE 387.A N GLY 383.A O no hydrogen 3.134 N/A VAL 388.A N VAL 384.A O no hydrogen 3.046 N/A LEU 389.A N THR 385.A O no hydrogen 3.066 N/A SER 390.A N GLY 386.A O no hydrogen 2.956 N/A SER 390.A N ILE 387.A O no hydrogen 3.031 N/A SER 390.A OG ILE 387.A O no hydrogen 2.484 N/A GLN 391.A N VAL 388.A O no hydrogen 3.119 N/A GLN 391.A NE2 ILE 387.A O no hydrogen 3.626 N/A GLN 391.A NE2 SER 390.A OG no hydrogen 2.842 N/A VAL 394.A N GLN 391.A O no hydrogen 2.993 N/A ASP 395.A N GLN 391.A O no hydrogen 2.760 N/A ARG 396.A N ALA 392.A O no hydrogen 2.994 N/A ARG 396.A NH1 TYR 324.A O no hydrogen 2.873 N/A ARG 396.A NH1 GLN 333.A OE1 no hydrogen 3.418 N/A ARG 396.A NH2 GLN 333.A OE1 no hydrogen 2.832 N/A TYR 397.A N VAL 394.A O no hydrogen 2.999 N/A TYR 397.A OH ARG 464.A O no hydrogen 2.634 N/A TYR 398.A N VAL 394.A O no hydrogen 3.179 N/A HIS 399.A N ASP 395.A O no hydrogen 2.729 N/A THR 401.A N TYR 398.A O no hydrogen 2.989 N/A THR 401.A OG1 TYR 398.A O no hydrogen 2.554 N/A TYR 402.A N MET 467.A O no hydrogen 3.006 N/A TYR 403.A N THR 401.A OG1 no hydrogen 3.295 N/A VAL 404.A N THR 401.A O no hydrogen 3.143 N/A ALA 406.A N TYR 402.A O no hydrogen 2.863 N/A HIS 407.A N TYR 403.A O no hydrogen 2.935 N/A HIS 407.A ND1 GLY 382.A O no hydrogen 2.740 N/A PHE 408.A N VAL 404.A O no hydrogen 2.909 N/A HIS 409.A N VAL 405.A O no hydrogen 3.091 N/A HIS 409.A ND1 VAL 405.A O no hydrogen 2.753 N/A TYR 410.A N ALA 406.A O no hydrogen 3.087 N/A TYR 410.A OH ASN 453.A OD1 no hydrogen 2.726 N/A VAL 411.A N HIS 407.A O no hydrogen 3.241 N/A MET 412.A N PHE 408.A O no hydrogen 2.898 N/A SER 413.A N HIS 409.A O no hydrogen 2.726 N/A LEU 414.A N HIS 409.A O no hydrogen 2.978 N/A ALA 416.A N VAL 411.A O no hydrogen 2.934 N/A VAL 417.A N MET 412.A O no hydrogen 2.873 N/A GLY 419.A N GLY 415.A O no hydrogen 3.007 N/A ILE 420.A N ALA 416.A O no hydrogen 2.949 N/A PHE 421.A N VAL 417.A O no hydrogen 3.000 N/A ALA 422.A N PHE 418.A O no hydrogen 2.833 N/A GLY 423.A N GLY 419.A O no hydrogen 3.002 N/A ILE 424.A N ILE 420.A O no hydrogen 2.913 N/A TYR 425.A N PHE 421.A O no hydrogen 3.015 N/A TYR 425.A OH HIS 444.A ND1 no hydrogen 2.801 N/A PHE 426.A N ALA 422.A O no hydrogen 2.954 N/A TRP 427.A N GLY 423.A O no hydrogen 2.922 N/A TRP 427.A NE1 GLU 527.A OE2 no hydrogen 2.875 N/A ILE 428.A N ILE 424.A O no hydrogen 2.833 N/A LYS 430.A N TYR 518.A OH no hydrogen 2.899 N/A LYS 430.A NZ ASN 516.A O no hydrogen 2.763 N/A LYS 430.A NZ GLU 527.A O no hydrogen 2.955 N/A LYS 430.A NZ THR 531.A O no hydrogen 3.136 N/A LYS 430.A NZ SER 532.A OG no hydrogen 2.948 N/A MET 431.A N TRP 427.A O no hydrogen 2.895 N/A SER 432.A N ILE 428.A O no hydrogen 2.834 N/A SER 432.A OG ILE 428.A O no hydrogen 2.767 N/A GLY 433.A N GLY 429.A O no hydrogen 2.919 N/A ARG 434.A N SER 432.A OG no hydrogen 3.051 N/A ARG 434.A NH1 GLY 510.A O no hydrogen 2.817 N/A GLN 435.A N ALA 511.A O no hydrogen 2.827 N/A TYR 436.A N GLN 435.A OE1 no hydrogen 3.233 N/A TYR 436.A OH GLU 438.A OE1 no hydrogen 2.684 N/A ALA 440.A N PRO 437.A O no hydrogen 3.092 N/A GLY 441.A N PRO 437.A O no hydrogen 3.263 N/A LYS 442.A N GLU 438.A O no hydrogen 3.102 N/A LEU 443.A N TRP 439.A O no hydrogen 3.058 N/A HIS 444.A N ALA 440.A O no hydrogen 2.877 N/A HIS 444.A ND1 TYR 425.A OH no hydrogen 2.801 N/A PHE 445.A N GLY 441.A O no hydrogen 2.992 N/A TRP 446.A N LYS 442.A O no hydrogen 3.016 N/A MET 447.A N LEU 443.A O no hydrogen 2.920 N/A MET 448.A N HIS 444.A O no hydrogen 2.966 N/A PHE 449.A N PHE 445.A O no hydrogen 2.832 N/A VAL 450.A N TRP 446.A O no hydrogen 3.070 N/A GLY 451.A N MET 447.A O no hydrogen 2.894 N/A ALA 452.A N MET 448.A O no hydrogen 2.811 N/A ASN 453.A N PHE 449.A O no hydrogen 3.277 N/A ASN 453.A ND2 PHE 449.A O no hydrogen 2.768 N/A LEU 454.A N VAL 450.A O no hydrogen 3.063 N/A THR 455.A N GLY 451.A O no hydrogen 2.971 N/A THR 455.A OG1 GLY 451.A O no hydrogen 2.722 N/A PHE 456.A N ALA 452.A O no hydrogen 2.993 N/A PHE 457.A N ASN 453.A O no hydrogen 2.885 N/A GLN 459.A N PHE 456.A O no hydrogen 2.984 N/A GLN 459.A NE2 SER 485.A OG no hydrogen 3.150 N/A HIS 460.A N PHE 457.A O no hydrogen 3.125 N/A HIS 460.A ND1 PHE 457.A O no hydrogen 2.824 N/A LEU 462.A N PRO 458.A O no hydrogen 3.101 N/A GLY 463.A N GLN 459.A O no hydrogen 2.907 N/A ARG 464.A N HIS 460.A O no hydrogen 2.976 N/A GLN 465.A N PHE 461.A O no hydrogen 2.929 N/A GLY 466.A N GLY 463.A O no hydrogen 2.939 N/A MET 467.A N LEU 462.A O no hydrogen 2.862 N/A ARG 469.A N ASP 400.A O no hydrogen 3.004 N/A TYR 474.A OH LEU 43.A O no hydrogen 2.729 N/A PHE 478.A N PRO 475.A O no hydrogen 2.971 N/A ALA 479.A N GLU 476.A O no hydrogen 2.969 N/A ASN 482.A N PHE 478.A O no hydrogen 3.385 N/A ASN 482.A ND2 PHE 478.A O no hydrogen 2.888 N/A PHE 483.A N ALA 479.A O no hydrogen 2.993 N/A VAL 484.A N THR 480.A O no hydrogen 3.200 N/A SER 485.A N TRP 481.A O no hydrogen 2.981 N/A SER 485.A OG THR 455.A O no hydrogen 2.691 N/A SER 486.A N ASN 482.A O no hydrogen 3.019 N/A SER 486.A OG ARG 40.A O no hydrogen 2.561 N/A SER 486.A OG ASN 482.A O no hydrogen 3.178 N/A LEU 487.A N PHE 483.A O no hydrogen 3.023 N/A GLY 488.A N VAL 484.A O no hydrogen 2.998 N/A ALA 489.A N SER 485.A O no hydrogen 2.946 N/A PHE 490.A N SER 486.A O no hydrogen 3.020 N/A LEU 491.A N LEU 487.A O no hydrogen 3.061 N/A SER 492.A N GLY 488.A O no hydrogen 2.858 N/A SER 492.A OG GLY 488.A O no hydrogen 2.832 N/A PHE 493.A N ALA 489.A O no hydrogen 2.969 N/A ALA 494.A N PHE 490.A O no hydrogen 3.077 N/A SER 495.A N LEU 491.A O no hydrogen 3.023 N/A SER 495.A OG SER 492.A O no hydrogen 2.751 N/A PHE 496.A N SER 492.A O no hydrogen 3.102 N/A LEU 497.A N PHE 493.A O no hydrogen 3.007 N/A PHE 498.A N ALA 494.A O no hydrogen 2.884 N/A PHE 499.A N SER 495.A O no hydrogen 2.876 N/A LEU 500.A N PHE 496.A O no hydrogen 2.976 N/A GLY 501.A N LEU 497.A O no hydrogen 3.032 N/A VAL 502.A N PHE 498.A O no hydrogen 2.792 N/A ILE 503.A N PHE 499.A O no hydrogen 2.916 N/A PHE 504.A N LEU 500.A O no hydrogen 3.052 N/A TYR 505.A N GLY 501.A O no hydrogen 2.934 N/A THR 506.A N VAL 502.A O no hydrogen 2.921 N/A THR 506.A OG1 VAL 502.A O no hydrogen 2.632 N/A LEU 507.A N ILE 503.A O no hydrogen 2.924 N/A THR 508.A N PHE 504.A O no hydrogen 3.121 N/A THR 508.A N TYR 505.A O no hydrogen 3.202 N/A THR 508.A OG1 PHE 504.A O no hydrogen 2.759 N/A THR 508.A OG1 TYR 505.A O no hydrogen 3.357 N/A ARG 509.A N TYR 505.A O no hydrogen 2.643 N/A GLY 510.A N THR 506.A O no hydrogen 2.951 N/A ARG 512.A NE GLY 433.A O no hydrogen 2.823 N/A ARG 512.A NH1 SER 532.A O no hydrogen 3.152 N/A VAL 513.A N GLY 433.A O no hydrogen 2.841 N/A ASN 516.A ND2 THR 529.A O no hydrogen 2.923 N/A ASN 517.A ND2 ASN 520.A O no hydrogen 2.651 N/A TYR 518.A OH PHE 426.A O no hydrogen 2.956 N/A TRP 519.A N ASN 517.A OD1 no hydrogen 2.780 N/A TRP 519.A NE1 PHE 426.A O no hydrogen 2.976 N/A ASN 520.A ND2 THR 292.A O no hydrogen 3.016 N/A HIS 522.A N ASN 520.A OD1 no hydrogen 2.807 N/A ALA 523.A N ASN 520.A O no hydrogen 2.970 N/A THR 525.A OG1 GLU 527.A OE1 no hydrogen 2.574 N/A THR 525.A OG1 GLU 527.A OE2 no hydrogen 3.376 N/A GLU 527.A N GLU 527.A OE1 no hydrogen 2.753 N/A TRP 528.A N THR 525.A O no hydrogen 3.082 N/A THR 529.A N LEU 526.A O no hydrogen 3.064 N/A THR 529.A OG1 LEU 526.A O no hydrogen 2.765 N/A LEU 530.A N GLU 527.A O no hydrogen 3.262 N/A THR 531.A OG1 PRO 533.A O no hydrogen 2.828 N/A SER 532.A OG ALA 515.A O no hydrogen 3.256 N/A