Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s8g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 1.A OG no hydrogen 3.240 N/A TYR 4.A OH LEU 400.A O no hydrogen 2.681 N/A ALA 6.A N ARG 2.A O no hydrogen 3.260 N/A TYR 7.A N VAL 3.A O no hydrogen 2.754 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.593 N/A LYS 10.A N TYR 7.A O no hydrogen 3.075 N/A LYS 10.A NZ TYR 83.A OH no hydrogen 2.956 N/A LYS 10.A NZ ASN 399.A O no hydrogen 3.030 N/A LYS 10.A NZ ALA 494.A O no hydrogen 2.749 N/A LYS 11.A N PRO 8.A O no hydrogen 3.119 N/A ALA 12.A N PRO 8.A O no hydrogen 3.460 N/A THR 13.A N GLU 9.A O no hydrogen 2.984 N/A THR 13.A OG1 GLU 9.A O no hydrogen 2.674 N/A LEU 14.A N LYS 10.A O no hydrogen 2.910 N/A TYR 15.A N LYS 11.A O no hydrogen 3.014 N/A PHE 16.A N ALA 12.A O no hydrogen 3.121 N/A LEU 17.A N THR 13.A O no hydrogen 3.051 N/A VAL 18.A N LEU 14.A O no hydrogen 2.910 N/A LEU 19.A N TYR 15.A O no hydrogen 3.100 N/A GLY 20.A N PHE 16.A O no hydrogen 2.913 N/A PHE 21.A N LEU 17.A O no hydrogen 2.897 N/A LEU 22.A N VAL 18.A O no hydrogen 2.964 N/A ALA 23.A N LEU 19.A O no hydrogen 3.058 N/A LEU 24.A N GLY 20.A O no hydrogen 3.007 N/A ILE 25.A N PHE 21.A O no hydrogen 2.987 N/A VAL 26.A N LEU 22.A O no hydrogen 3.032 N/A GLY 27.A N ALA 23.A O no hydrogen 2.892 N/A SER 28.A N LEU 24.A O no hydrogen 2.865 N/A SER 28.A OG LEU 24.A O no hydrogen 2.747 N/A LEU 29.A N ILE 25.A O no hydrogen 3.232 N/A PHE 30.A N GLY 27.A O no hydrogen 3.347 N/A GLY 31.A N SER 28.A O no hydrogen 2.905 N/A GLN 34.A N PHE 30.A O no hydrogen 3.025 N/A ALA 35.A N GLY 31.A O no hydrogen 2.900 N/A LEU 36.A N PRO 32.A O no hydrogen 2.964 N/A ASN 37.A N PHE 33.A O no hydrogen 2.990 N/A ASN 37.A ND2 ALA 443.A O no hydrogen 2.940 N/A TYR 38.A N GLN 34.A O no hydrogen 2.965 N/A TYR 38.A OH PRO 440.A O no hydrogen 2.655 N/A TYR 38.A OH ALA 443.A O no hydrogen 3.281 N/A GLY 39.A N LEU 36.A O no hydrogen 2.817 N/A ASN 40.A N ASN 37.A O no hydrogen 2.884 N/A ASN 40.A ND2 PRO 449.A O no hydrogen 3.057 N/A VAL 41.A N LEU 36.A O no hydrogen 2.912 N/A TYR 44.A N ASP 42.A OD2 no hydrogen 3.164 N/A LEU 47.A N ALA 43.A O no hydrogen 3.214 N/A LYS 48.A N TYR 44.A O no hydrogen 2.858 N/A LYS 48.A NZ GLN 55.A O no hydrogen 3.253 N/A ARG 49.A N PRO 45.A O no hydrogen 3.170 N/A LEU 50.A N LEU 46.A O no hydrogen 3.141 N/A LEU 51.A N LEU 47.A O no hydrogen 2.739 N/A VAL 54.A N LEU 51.A O no hydrogen 2.965 N/A GLN 55.A N GLN 59.A OE1 no hydrogen 2.757 N/A GLN 55.A NE2 PHE 53.A O no hydrogen 3.447 N/A GLN 59.A N SER 56.A OG no hydrogen 3.007 N/A GLN 59.A NE2 PHE 53.A O no hydrogen 3.691 N/A GLN 59.A NE2 LEU 116.A O no hydrogen 2.941 N/A GLN 59.A NE2 LEU 117.A O no hydrogen 3.338 N/A GLY 60.A N SER 56.A O no hydrogen 3.302 N/A LEU 61.A N TYR 57.A O no hydrogen 2.963 N/A THR 62.A N TYR 58.A O no hydrogen 2.977 N/A THR 62.A OG1 TYR 58.A O no hydrogen 2.789 N/A LEU 63.A N GLN 59.A O no hydrogen 3.073 N/A HIS 64.A N GLY 60.A O no hydrogen 2.825 N/A HIS 64.A ND1 GLY 27.A O no hydrogen 2.755 N/A GLY 65.A N LEU 61.A O no hydrogen 2.946 N/A VAL 66.A N THR 62.A O no hydrogen 2.921 N/A LEU 67.A N LEU 63.A O no hydrogen 2.906 N/A ASN 68.A N HIS 64.A O no hydrogen 2.993 N/A ASN 68.A ND2 SER 28.A OG no hydrogen 3.202 N/A ALA 69.A N GLY 65.A O no hydrogen 2.956 N/A ILE 70.A N VAL 66.A O no hydrogen 3.063 N/A VAL 71.A N VAL 66.A O no hydrogen 2.967 N/A PHE 72.A N LEU 67.A O no hydrogen 2.972 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.567 N/A THR 73.A OG1 ILE 70.A O no hydrogen 3.164 N/A GLN 74.A N ILE 70.A O no hydrogen 3.183 N/A GLN 74.A NE2 GLN 78.A OE1 no hydrogen 3.027 N/A GLN 74.A NE2 PHE 144.A O no hydrogen 3.027 N/A LEU 75.A N VAL 71.A O no hydrogen 3.028 N/A PHE 76.A N PHE 72.A O no hydrogen 2.968 N/A ALA 77.A N THR 73.A O no hydrogen 2.964 N/A GLN 78.A N GLN 74.A O no hydrogen 2.854 N/A GLN 78.A NE2 SER 147.A OG no hydrogen 3.056 N/A GLN 78.A NE2 SER 151.A OG no hydrogen 2.971 N/A ALA 79.A N LEU 75.A O no hydrogen 3.019 N/A ILE 80.A N PHE 76.A O no hydrogen 2.929 N/A MET 81.A N ALA 77.A O no hydrogen 2.911 N/A TYR 83.A N ALA 79.A O no hydrogen 3.009 N/A LEU 84.A N ILE 80.A O no hydrogen 3.013 N/A ALA 86.A N VAL 82.A O no hydrogen 3.156 N/A ARG 87.A N TYR 83.A O no hydrogen 2.979 N/A ARG 87.A NH2 ASN 90.A OD1 no hydrogen 3.188 N/A GLU 88.A N LEU 84.A O no hydrogen 2.951 N/A LEU 89.A N PRO 85.A O no hydrogen 3.002 N/A ASN 90.A N ARG 87.A O no hydrogen 3.134 N/A MET 91.A N ALA 86.A O no hydrogen 2.962 N/A ARG 92.A NH1 ALA 6.A O no hydrogen 2.961 N/A LEU 97.A N ASN 94.A OD1 no hydrogen 3.045 N/A MET 98.A N ASN 94.A O no hydrogen 2.963 N/A TRP 99.A N MET 95.A O no hydrogen 2.934 N/A LEU 100.A N GLY 96.A O no hydrogen 2.980 N/A SER 101.A N LEU 97.A O no hydrogen 2.826 N/A SER 101.A OG LEU 97.A O no hydrogen 3.539 N/A SER 101.A OG MET 98.A O no hydrogen 2.668 N/A TRP 102.A N MET 98.A O no hydrogen 3.166 N/A TRP 102.A NE1 TYR 15.A O no hydrogen 3.098 N/A TRP 103.A N TRP 99.A O no hydrogen 3.018 N/A MET 104.A N LEU 100.A O no hydrogen 2.930 N/A ALA 105.A N SER 101.A O no hydrogen 3.093 N/A PHE 106.A N TRP 102.A O no hydrogen 2.875 N/A ILE 107.A N TRP 103.A O no hydrogen 2.888 N/A GLY 108.A N MET 104.A O no hydrogen 2.864 N/A LEU 109.A N ALA 105.A O no hydrogen 2.903 N/A VAL 110.A N PHE 106.A O no hydrogen 3.001 N/A VAL 111.A N ILE 107.A O no hydrogen 2.974 N/A PHE 112.A N GLY 108.A O no hydrogen 3.053 N/A ALA 113.A N LEU 109.A O no hydrogen 2.883 N/A LEU 114.A N VAL 110.A O no hydrogen 3.255 N/A LEU 116.A N PHE 112.A O no hydrogen 3.342 N/A LEU 117.A N ALA 113.A O no hydrogen 2.842 N/A ALA 118.A N LEU 114.A O no hydrogen 2.986 N/A ASN 119.A N LEU 116.A O no hydrogen 3.314 N/A GLU 120.A N PRO 115.A O no hydrogen 2.871 N/A THR 122.A OG1 ASN 119.A OD1 no hydrogen 2.828 N/A VAL 123.A N ALA 121.A O no hydrogen 2.854 N/A LEU 124.A N THR 62.A OG1 no hydrogen 3.184 N/A PHE 127.A N LEU 124.A O no hydrogen 3.016 N/A LYS 132.A N TRP 551.A O no hydrogen 2.990 N/A LYS 132.A NZ TRP 203.A O no hydrogen 3.147 N/A GLY 133.A N TYR 138.A OH no hydrogen 2.973 N/A HIS 134.A N GLU 120.A O no hydrogen 3.019 N/A ALA 136.A N HIS 134.A ND1 no hydrogen 3.073 N/A PHE 137.A N HIS 134.A O no hydrogen 3.000 N/A LEU 139.A N TRP 135.A O no hydrogen 2.919 N/A GLY 140.A N ALA 136.A O no hydrogen 2.868 N/A ALA 141.A N PHE 137.A O no hydrogen 3.039 N/A SER 142.A N TYR 138.A O no hydrogen 2.993 N/A SER 142.A OG TYR 138.A O no hydrogen 2.834 N/A VAL 143.A N LEU 139.A O no hydrogen 3.026 N/A PHE 144.A N GLY 140.A O no hydrogen 2.907 N/A VAL 145.A N ALA 141.A O no hydrogen 2.999 N/A LEU 146.A N SER 142.A O no hydrogen 2.978 N/A SER 147.A N VAL 143.A O no hydrogen 3.182 N/A SER 147.A N PHE 144.A O no hydrogen 3.242 N/A SER 147.A OG SER 101.A O no hydrogen 2.519 N/A THR 148.A N VAL 145.A O no hydrogen 2.937 N/A THR 148.A OG1 VAL 145.A O no hydrogen 2.609 N/A TRP 149.A N LEU 146.A O no hydrogen 2.901 N/A TRP 149.A NE1 SER 189.A OG no hydrogen 2.820 N/A VAL 150.A N SER 147.A O no hydrogen 3.188 N/A ILE 152.A N THR 148.A O no hydrogen 2.908 N/A TYR 153.A N TRP 149.A O no hydrogen 3.107 N/A ILE 154.A N VAL 150.A O no hydrogen 2.920 N/A VAL 155.A N SER 151.A O no hydrogen 3.086 N/A LEU 156.A N ILE 152.A O no hydrogen 2.995 N/A ASP 157.A N TYR 153.A O no hydrogen 2.875 N/A LEU 158.A N ILE 154.A O no hydrogen 3.046 N/A TRP 159.A N VAL 155.A O no hydrogen 2.983 N/A TRP 159.A NE1 THR 171.A OG1 no hydrogen 3.057 N/A ARG 160.A N LEU 156.A O no hydrogen 2.956 N/A ARG 161.A N ASP 157.A O no hydrogen 2.946 N/A ARG 161.A NH1 ARG 92.A O no hydrogen 2.882 N/A ARG 161.A NH2 ARG 92.A O no hydrogen 3.068 N/A ARG 161.A NH2 ASP 157.A OD1 no hydrogen 3.065 N/A TRP 162.A N LEU 158.A O no hydrogen 2.946 N/A LYS 163.A N TRP 159.A O no hydrogen 2.855 N/A LYS 163.A NZ LYS 169.A O no hydrogen 2.895 N/A LYS 163.A NZ ASP 517.A OD1 no hydrogen 3.060 N/A ALA 164.A N ARG 160.A O no hydrogen 2.993 N/A ALA 165.A N ARG 161.A O no hydrogen 3.212 N/A ASN 166.A N TRP 162.A O no hydrogen 2.905 N/A ASN 166.A N LYS 163.A O no hydrogen 3.317 N/A ASN 166.A ND2 TRP 162.A O no hydrogen 3.014 N/A LYS 169.A N ASN 166.A O no hydrogen 3.189 N/A LYS 169.A NZ ASN 166.A OD1 no hydrogen 2.855 N/A THR 171.A N ASP 517.A OD1 no hydrogen 3.038 N/A THR 171.A OG1 ASP 517.A OD1 no hydrogen 3.333 N/A THR 171.A OG1 ASP 517.A OD2 no hydrogen 2.615 N/A VAL 174.A N GLU 88.A OE1 no hydrogen 2.937 N/A THR 175.A N GLU 88.A OE2 no hydrogen 2.793 N/A THR 175.A OG1 GLU 88.A OE2 no hydrogen 2.837 N/A TYR 176.A N PRO 172.A O no hydrogen 2.853 N/A TYR 176.A OH MET 516.A O no hydrogen 2.846 N/A MET 177.A N LEU 173.A O no hydrogen 2.964 N/A ALA 178.A N VAL 174.A O no hydrogen 3.032 N/A VAL 179.A N THR 175.A O no hydrogen 2.887 N/A VAL 180.A N TYR 176.A O no hydrogen 3.122 N/A PHE 181.A N MET 177.A O no hydrogen 2.945 N/A TRP 182.A N ALA 178.A O no hydrogen 2.883 N/A TRP 182.A NE1 MET 81.A O no hydrogen 2.988 N/A LEU 183.A N VAL 179.A O no hydrogen 2.997 N/A MET 184.A N VAL 180.A O no hydrogen 2.896 N/A TRP 185.A N PHE 181.A O no hydrogen 2.956 N/A TRP 185.A NE1 THR 148.A OG1 no hydrogen 2.851 N/A PHE 186.A N TRP 182.A O no hydrogen 3.030 N/A LEU 187.A N LEU 183.A O no hydrogen 3.299 N/A ALA 188.A N MET 184.A O no hydrogen 2.873 N/A SER 189.A N TRP 185.A O no hydrogen 2.765 N/A SER 189.A OG PHE 186.A O no hydrogen 3.000 N/A LEU 190.A N LEU 187.A O no hydrogen 3.419 N/A LEU 192.A N THR 223.A OG1 no hydrogen 2.769 N/A VAL 193.A N SER 189.A O no hydrogen 3.158 N/A LEU 194.A N LEU 190.A O no hydrogen 2.884 N/A GLU 195.A N GLY 191.A O no hydrogen 2.875 N/A ALA 196.A N LEU 192.A O no hydrogen 2.746 N/A VAL 197.A N VAL 193.A O no hydrogen 2.842 N/A LEU 198.A N LEU 194.A O no hydrogen 2.878 N/A PHE 199.A N GLU 195.A O no hydrogen 3.150 N/A LEU 200.A N GLU 195.A O no hydrogen 3.009 N/A LEU 201.A N ALA 196.A O no hydrogen 2.836 N/A TRP 203.A N PHE 199.A O no hydrogen 3.052 N/A SER 204.A N LEU 200.A O no hydrogen 2.909 N/A SER 204.A OG LEU 200.A O no hydrogen 2.970 N/A SER 204.A OG LEU 201.A O no hydrogen 3.246 N/A PHE 205.A N LEU 201.A O no hydrogen 2.976 N/A GLY 206.A N TRP 203.A O no hydrogen 2.953 N/A LEU 207.A N PRO 202.A O no hydrogen 2.763 N/A VAL 208.A N PRO 202.A O no hydrogen 3.426 N/A VAL 211.A N VAL 548.A O no hydrogen 3.164 N/A VAL 215.A N ASP 212.A OD1 no hydrogen 3.054 N/A ALA 216.A N ASP 212.A O no hydrogen 3.100 N/A ARG 217.A N PRO 213.A O no hydrogen 3.052 N/A ARG 217.A NE ASP 279.A OD1 no hydrogen 2.754 N/A ARG 217.A NH2 ASP 279.A OD1 no hydrogen 3.342 N/A ARG 217.A NH2 ASP 279.A OD2 no hydrogen 2.751 N/A THR 218.A N LEU 214.A O no hydrogen 2.977 N/A THR 218.A OG1 LEU 214.A O no hydrogen 2.800 N/A LEU 219.A N VAL 215.A O no hydrogen 3.014 N/A PHE 220.A N ALA 216.A O no hydrogen 2.876 N/A TRP 221.A N ARG 217.A O no hydrogen 2.979 N/A TRP 221.A NE1 TYR 128.A OH no hydrogen 2.976 N/A TRP 222.A N THR 218.A O no hydrogen 3.166 N/A TRP 222.A NE1 LEU 187.A O no hydrogen 3.064 N/A THR 223.A OG1 ALA 188.A O no hydrogen 2.722 N/A GLY 224.A N PHE 220.A O no hydrogen 2.754 N/A HIS 225.A N TRP 221.A O no hydrogen 3.336 N/A ILE 227.A N THR 223.A O no hydrogen 2.907 N/A VAL 228.A N HIS 225.A O no hydrogen 2.897 N/A PHE 230.A N PRO 226.A O no hydrogen 2.818 N/A TRP 231.A N ILE 227.A O no hydrogen 2.903 N/A LEU 232.A N VAL 228.A O no hydrogen 3.026 N/A LEU 233.A N TYR 229.A O no hydrogen 2.964 N/A TYR 236.A N LEU 232.A O no hydrogen 3.026 N/A TYR 236.A OH SER 301.A OG no hydrogen 2.827 N/A ALA 237.A N LEU 233.A O no hydrogen 2.730 N/A ILE 238.A N PRO 234.A O no hydrogen 3.236 N/A ILE 239.A N ALA 235.A O no hydrogen 2.849 N/A TYR 240.A N TYR 236.A O no hydrogen 2.851 N/A TYR 240.A OH THR 304.A OG1 no hydrogen 2.543 N/A THR 241.A N ALA 237.A O no hydrogen 3.021 N/A THR 241.A OG1 ALA 237.A O no hydrogen 2.820 N/A ILE 242.A N ILE 238.A O no hydrogen 2.896 N/A LEU 243.A N ILE 238.A O no hydrogen 2.909 N/A LYS 245.A N ILE 242.A O no hydrogen 3.059 N/A GLN 246.A N ILE 242.A O no hydrogen 3.181 N/A ALA 247.A N LEU 243.A O no hydrogen 2.806 N/A GLY 248.A N LYS 245.A O no hydrogen 3.045 N/A GLY 249.A N PRO 244.A O no hydrogen 2.730 N/A LEU 251.A N GLU 502.A O no hydrogen 2.965 N/A VAL 252.A N SER 311.A OG no hydrogen 3.277 N/A MET 256.A N SER 253.A OG no hydrogen 3.137 N/A ALA 257.A N SER 253.A O no hydrogen 3.350 N/A ARG 258.A N ASP 254.A O no hydrogen 2.946 N/A ARG 258.A NE ASP 254.A OD1 no hydrogen 3.337 N/A ARG 258.A NE ASP 254.A OD2 no hydrogen 2.700 N/A ARG 258.A NH1 THR 171.A O no hydrogen 2.819 N/A ARG 258.A NH2 THR 171.A O no hydrogen 2.949 N/A ARG 258.A NH2 ASP 254.A OD1 no hydrogen 3.106 N/A LEU 259.A N PRO 255.A O no hydrogen 2.836 N/A ALA 260.A N MET 256.A O no hydrogen 3.132 N/A PHE 261.A N ALA 257.A O no hydrogen 3.296 N/A LEU 262.A N ARG 258.A O no hydrogen 2.887 N/A LEU 263.A N LEU 259.A O no hydrogen 2.938 N/A PHE 264.A N ALA 260.A O no hydrogen 3.049 N/A LEU 265.A N PHE 261.A O no hydrogen 2.995 N/A LEU 266.A N LEU 262.A O no hydrogen 3.074 N/A LEU 267.A N LEU 263.A O no hydrogen 2.859 N/A SER 268.A N PHE 264.A O no hydrogen 3.109 N/A SER 268.A OG PHE 264.A O no hydrogen 2.714 N/A PHE 273.A N HIS 290.A ND1 no hydrogen 3.097 N/A HIS 274.A N VAL 271.A O no hydrogen 3.070 N/A HIS 274.A ND1 THR 294.A OG1 no hydrogen 2.778 N/A HIS 274.A NE2 HIS 225.A ND1 no hydrogen 3.006 N/A HIS 274.A NE2 HIS 275.A NE2 no hydrogen 2.836 N/A HIS 275.A N GLY 272.A O no hydrogen 2.897 N/A GLN 276.A N PHE 273.A O no hydrogen 2.834 N/A GLN 276.A NE2 THR 218.A OG1 no hydrogen 3.029 N/A GLN 276.A NE2 ASP 279.A OD1 no hydrogen 2.993 N/A ASP 279.A N GLN 276.A O no hydrogen 2.991 N/A THR 285.A N ASP 283.A OD2 no hydrogen 2.853 N/A THR 285.A OG1 ASP 283.A OD2 no hydrogen 3.423 N/A LYS 287.A N ASP 283.A O no hydrogen 3.161 N/A LYS 287.A NZ PHE 277.A O no hydrogen 2.964 N/A LYS 287.A NZ ASP 279.A O no hydrogen 2.790 N/A MET 288.A N PRO 284.A O no hydrogen 2.972 N/A ILE 289.A N THR 285.A O no hydrogen 2.979 N/A HIS 290.A N TRP 286.A O no hydrogen 3.032 N/A HIS 290.A NE2 ALA 533.A O no hydrogen 3.029 N/A SER 291.A N LYS 287.A O no hydrogen 2.888 N/A SER 291.A OG ALA 359.A O no hydrogen 2.729 N/A VAL 292.A N MET 288.A O no hydrogen 2.984 N/A LEU 293.A N ILE 289.A O no hydrogen 3.027 N/A THR 294.A N HIS 290.A O no hydrogen 2.838 N/A THR 294.A OG1 HIS 274.A ND1 no hydrogen 2.778 N/A THR 294.A OG1 HIS 290.A O no hydrogen 2.645 N/A LEU 295.A N SER 291.A O no hydrogen 3.006 N/A PHE 296.A N VAL 292.A O no hydrogen 3.082 N/A VAL 297.A N LEU 293.A O no hydrogen 3.008 N/A ALA 298.A N THR 294.A O no hydrogen 3.329 N/A VAL 299.A N PHE 296.A O no hydrogen 2.928 N/A SER 301.A OG TYR 236.A OH no hydrogen 2.827 N/A LEU 302.A N ALA 298.A O no hydrogen 3.042 N/A MET 303.A N VAL 299.A O no hydrogen 2.786 N/A THR 304.A N PRO 300.A O no hydrogen 2.855 N/A THR 304.A OG1 TYR 240.A OH no hydrogen 2.543 N/A THR 304.A OG1 PRO 300.A O no hydrogen 2.805 N/A ALA 305.A N SER 301.A O no hydrogen 2.833 N/A THR 307.A N MET 303.A O no hydrogen 2.995 N/A THR 307.A OG1 MET 303.A O no hydrogen 3.210 N/A VAL 308.A N THR 304.A O no hydrogen 2.849 N/A ALA 309.A N ALA 305.A O no hydrogen 3.039 N/A ALA 310.A N PHE 306.A O no hydrogen 2.924 N/A SER 311.A N THR 307.A O no hydrogen 3.150 N/A SER 311.A OG THR 307.A O no hydrogen 2.886 N/A LEU 312.A N VAL 308.A O no hydrogen 2.914 N/A GLU 313.A N ALA 309.A O no hydrogen 2.864 N/A PHE 314.A N ALA 310.A O no hydrogen 2.941 N/A ALA 315.A N SER 311.A O no hydrogen 3.026 N/A GLY 316.A N LEU 312.A O no hydrogen 2.900 N/A ARG 317.A N GLU 313.A O no hydrogen 2.938 N/A ARG 317.A NE GLU 313.A OE1 no hydrogen 3.242 N/A ARG 317.A NH1 GLU 313.A OE1 no hydrogen 2.697 N/A ARG 317.A NH1 GLY 323.A O no hydrogen 3.155 N/A ARG 317.A NH2 GLY 321.A O no hydrogen 3.440 N/A ARG 317.A NH2 GLY 323.A O no hydrogen 3.155 N/A LEU 318.A N PHE 314.A O no hydrogen 2.961 N/A ARG 319.A N ALA 315.A O no hydrogen 3.072 N/A ARG 319.A NE ALA 330.A O no hydrogen 2.623 N/A ARG 319.A NH1 ALA 330.A O no hydrogen 3.298 N/A GLY 320.A N ARG 317.A O no hydrogen 3.003 N/A GLY 321.A N GLY 316.A O no hydrogen 2.915 N/A ILE 328.A N PHE 325.A O no hydrogen 3.044 N/A ARG 329.A N PHE 325.A O no hydrogen 3.417 N/A ALA 330.A N GLY 326.A O no hydrogen 3.074 N/A LEU 331.A N ILE 328.A O no hydrogen 3.153 N/A TRP 333.A N LEU 331.A O no hydrogen 2.931 N/A TRP 333.A NE1 ILE 328.A O no hydrogen 2.757 N/A ASN 335.A N PRO 332.A O no hydrogen 3.092 N/A ASN 335.A ND2 GLN 246.A OE1.B no hydrogen 2.634 N/A ALA 337.A N ASN 335.A OD1 no hydrogen 2.986 N/A PHE 338.A N ASN 335.A O no hydrogen 2.918 N/A VAL 339.A N ASN 335.A O no hydrogen 2.967 N/A ALA 340.A N PRO 336.A O no hydrogen 3.067 N/A VAL 342.A N PHE 338.A O no hydrogen 3.498 N/A LEU 343.A N VAL 339.A O no hydrogen 2.942 N/A GLY 344.A N ALA 340.A O no hydrogen 2.999 N/A LEU 345.A N PRO 341.A O no hydrogen 2.784 N/A LEU 346.A N VAL 342.A O no hydrogen 3.053 N/A GLY 347.A N LEU 343.A O no hydrogen 3.190 N/A PHE 348.A N GLY 344.A O no hydrogen 3.059 N/A PHE 348.A N LEU 345.A O no hydrogen 3.113 N/A ILE 349.A N LEU 346.A O no hydrogen 3.223 N/A GLY 351.A N GLY 347.A O no hydrogen 3.152 N/A GLY 352.A N PHE 348.A O no hydrogen 2.746 N/A ALA 353.A N ILE 349.A O no hydrogen 3.061 N/A GLY 354.A N PRO 350.A O no hydrogen 3.033 N/A GLY 355.A N GLY 351.A O no hydrogen 3.134 N/A ILE 356.A N GLY 352.A O no hydrogen 2.976 N/A VAL 357.A N ALA 353.A O no hydrogen 3.190 N/A ASN 358.A N GLY 354.A O no hydrogen 2.956 N/A ALA 359.A N GLY 355.A O no hydrogen 3.003 N/A SER 360.A N VAL 357.A O no hydrogen 2.996 N/A SER 360.A OG ILE 356.A O no hydrogen 2.783 N/A LEU 363.A N SER 360.A O no hydrogen 3.142 N/A ASP 364.A N PHE 361.A O no hydrogen 2.940 N/A TYR 365.A N THR 362.A O no hydrogen 3.112 N/A TYR 365.A OH PHE 277.A O no hydrogen 2.630 N/A VAL 366.A N LEU 363.A O no hydrogen 3.104 N/A VAL 367.A N ASP 364.A O no hydrogen 3.148 N/A HIS 368.A N ASP 364.A O no hydrogen 2.712 N/A THR 370.A N VAL 367.A O no hydrogen 3.071 N/A THR 370.A OG1 VAL 367.A O no hydrogen 2.765 N/A ALA 371.A N VAL 439.A O no hydrogen 2.951 N/A TRP 372.A N THR 370.A OG1 no hydrogen 3.239 N/A TRP 372.A NE1 ASN 358.A OD1 no hydrogen 2.886 N/A VAL 373.A N THR 370.A O no hydrogen 3.154 N/A GLY 375.A N ALA 371.A O no hydrogen 3.102 N/A HIS 376.A N TRP 372.A O no hydrogen 2.859 N/A HIS 376.A ND1 GLY 351.A O no hydrogen 2.834 N/A PHE 377.A N VAL 373.A O no hydrogen 2.900 N/A HIS 378.A N PRO 374.A O no hydrogen 3.004 N/A HIS 378.A ND1 PRO 374.A O no hydrogen 2.771 N/A GLN 380.A N HIS 376.A O no hydrogen 3.356 N/A VAL 381.A N PHE 377.A O no hydrogen 2.898 N/A LEU 384.A N LEU 379.A O no hydrogen 3.430 N/A VAL 385.A N GLN 380.A O no hydrogen 3.347 N/A THR 386.A N VAL 381.A O no hydrogen 3.140 N/A THR 386.A OG1 VAL 381.A O no hydrogen 2.910 N/A LEU 387.A N SER 383.A O no hydrogen 2.732 N/A THR 388.A N LEU 384.A O no hydrogen 2.968 N/A THR 388.A OG1 LEU 384.A O no hydrogen 2.843 N/A ALA 389.A N VAL 385.A O no hydrogen 3.060 N/A MET 390.A N THR 386.A O no hydrogen 2.896 N/A GLY 391.A N LEU 387.A O no hydrogen 2.910 N/A SER 392.A N THR 388.A O no hydrogen 2.967 N/A SER 392.A OG ALA 389.A O no hydrogen 2.802 N/A LEU 393.A N MET 390.A O no hydrogen 3.228 N/A TYR 394.A N.A GLY 391.A O no hydrogen 3.003 N/A TYR 394.A N.B GLY 391.A O no hydrogen 3.006 N/A TRP 395.A N SER 392.A O no hydrogen 3.066 N/A LEU 396.A N SER 392.A O no hydrogen 2.596 N/A ASN 399.A ND2 TYR 83.A OH no hydrogen 2.566 N/A LEU 400.A N LEU 396.A O no hydrogen 3.044 N/A LEU 400.A N LEU 397.A O no hydrogen 3.126 N/A THR 401.A N LEU 397.A O no hydrogen 2.943 N/A THR 401.A OG1 LEU 397.A O no hydrogen 2.716 N/A GLY 402.A N PRO 398.A O no hydrogen 2.807 N/A LYS 403.A N THR 401.A OG1 no hydrogen 3.027 N/A LYS 403.A NZ LEU 484.A O no hydrogen 2.945 N/A LYS 403.A NZ SER 486.A O no hydrogen 3.510 N/A SER 406.A N GLN 409.A OE1 no hydrogen 2.903 N/A GLN 409.A N SER 406.A OG no hydrogen 3.073 N/A ARG 410.A N SER 406.A O no hydrogen 2.923 N/A ARG 410.A NE ASP 407.A OD2 no hydrogen 3.089 N/A ARG 410.A NH1 ASP 407.A OD2 no hydrogen 2.788 N/A ARG 410.A NH2 ASP 334.A O no hydrogen 2.884 N/A ARG 411.A N ASP 407.A O no hydrogen 3.101 N/A ARG 411.A NE ASP 407.A OD1 no hydrogen 2.703 N/A ARG 411.A NH2 ASP 407.A OD1 no hydrogen 3.002 N/A LEU 412.A N ALA 408.A O no hydrogen 3.075 N/A GLY 413.A N GLN 409.A O no hydrogen 2.961 N/A LEU 414.A N ARG 410.A O no hydrogen 3.001 N/A ALA 415.A N ARG 411.A O no hydrogen 3.107 N/A VAL 416.A N LEU 412.A O no hydrogen 2.987 N/A VAL 417.A N GLY 413.A O no hydrogen 3.008 N/A TRP 418.A N LEU 414.A O no hydrogen 3.038 N/A LEU 419.A N ALA 415.A O no hydrogen 2.985 N/A TRP 420.A N VAL 416.A O no hydrogen 2.847 N/A TRP 420.A NE1 ALA 382.A O no hydrogen 2.699 N/A PHE 421.A N VAL 417.A O no hydrogen 2.957 N/A LEU 422.A N TRP 418.A O no hydrogen 2.875 N/A GLY 423.A N LEU 419.A O no hydrogen 2.784 N/A MET 424.A N TRP 420.A O no hydrogen 2.984 N/A MET 425.A N PHE 421.A O no hydrogen 3.003 N/A ILE 426.A N LEU 422.A O no hydrogen 3.022 N/A MET 427.A N GLY 423.A O no hydrogen 3.013 N/A ALA 428.A N MET 424.A O no hydrogen 2.911 N/A VAL 429.A N MET 425.A O no hydrogen 3.106 N/A GLY 430.A N ILE 426.A O no hydrogen 3.120 N/A LEU 431.A N MET 427.A O no hydrogen 2.823 N/A HIS 432.A N ALA 428.A O no hydrogen 2.928 N/A HIS 432.A ND1 ALA 428.A O no hydrogen 2.726 N/A TRP 433.A N VAL 429.A O no hydrogen 3.093 N/A ALA 434.A N GLY 430.A O no hydrogen 2.922 N/A GLY 435.A N LEU 431.A O no hydrogen 2.846 N/A LEU 436.A N HIS 432.A O no hydrogen 3.050 N/A LEU 437.A N TRP 433.A O no hydrogen 3.205 N/A LEU 437.A N ALA 434.A O no hydrogen 3.027 N/A ASN 438.A N GLY 435.A O no hydrogen 2.825 N/A VAL 439.A N ALA 434.A O no hydrogen 3.152 N/A ARG 441.A N ASN 369.A O no hydrogen 3.091 N/A ARG 442.A NH1 THR 126.A OG1 no hydrogen 2.870 N/A ARG 442.A NH2 THR 126.A OG1 no hydrogen 3.126 N/A ALA 443.A N TYR 38.A OH no hydrogen 3.033 N/A TYR 444.A N TYR 58.A OH no hydrogen 3.047 N/A TYR 444.A OH ASP 42.A OD1 no hydrogen 3.051 N/A TYR 444.A OH ASP 42.A OD2 no hydrogen 2.718 N/A ALA 446.A N ASN 37.A OD1 no hydrogen 2.905 N/A GLN 447.A N TYR 444.A O no hydrogen 3.052 N/A VAL 448.A N ILE 445.A O no hydrogen 2.865 N/A ALA 451.A N VAL 448.A O no hydrogen 3.094 N/A ALA 455.A N TYR 452.A O no hydrogen 3.010 N/A ALA 456.A N PRO 453.A O no hydrogen 3.334 N/A MET 459.A N ALA 455.A O no hydrogen 3.056 N/A VAL 460.A N VAL 457.A O no hydrogen 3.061 N/A ASN 462.A N PRO 458.A O no hydrogen 3.199 N/A ASN 462.A ND2 TYR 38.A O no hydrogen 2.937 N/A VAL 463.A N MET 459.A O no hydrogen 3.133 N/A LEU 464.A N VAL 460.A O no hydrogen 3.094 N/A ALA 465.A N PHE 461.A O no hydrogen 2.911 N/A GLY 466.A N ASN 462.A O no hydrogen 3.012 N/A ILE 467.A N VAL 463.A O no hydrogen 3.088 N/A VAL 468.A N LEU 464.A O no hydrogen 2.945 N/A LEU 469.A N ALA 465.A O no hydrogen 2.878 N/A LEU 470.A N GLY 466.A O no hydrogen 3.047 N/A VAL 471.A N ILE 467.A O no hydrogen 3.187 N/A ALA 472.A N VAL 468.A O no hydrogen 2.982 N/A LEU 473.A N LEU 469.A O no hydrogen 2.809 N/A LEU 474.A N LEU 470.A O no hydrogen 2.919 N/A LEU 475.A N VAL 471.A O no hydrogen 2.968 N/A PHE 476.A N ALA 472.A O no hydrogen 2.885 N/A ILE 477.A N LEU 473.A O no hydrogen 2.974 N/A TYR 478.A N LEU 474.A O no hydrogen 3.077 N/A GLY 479.A N LEU 475.A O no hydrogen 2.912 N/A LEU 480.A N PHE 476.A O no hydrogen 2.761 N/A PHE 481.A N ILE 477.A O no hydrogen 3.070 N/A SER 482.A N TYR 478.A O no hydrogen 3.017 N/A SER 482.A OG TYR 478.A O no hydrogen 3.198 N/A VAL 483.A N GLY 479.A O no hydrogen 3.288 N/A VAL 483.A N LEU 480.A O no hydrogen 3.267 N/A LEU 484.A N LEU 480.A O no hydrogen 2.943 N/A LEU 485.A N PHE 481.A O no hydrogen 2.887 N/A SER 486.A N VAL 483.A O no hydrogen 3.443 N/A SER 486.A OG VAL 483.A O no hydrogen 2.801 N/A ARG 489.A NH1 THR 401.A O no hydrogen 3.036 N/A LYS 490.A N GLY 402.A O no hydrogen 2.698 N/A LYS 490.A NZ GLU 492.A OE2 no hydrogen 3.378 N/A GLU 492.A N GLU 492.A OE1 no hydrogen 2.789 N/A LEU 493.A N LYS 490.A O no hydrogen 2.952 N/A GLU 495.A N PRO 491.A O no hydrogen 3.136 N/A GLU 495.A N GLU 492.A O no hydrogen 3.332 N/A PHE 500.A N LEU 498.A O no hydrogen 2.763 N/A ALA 501.A N THR 241.A O no hydrogen 2.752 N/A ILE 504.A N LEU 251.A O no hydrogen 2.953 N/A ARG 511.A NH2 GLU 508.A O no hydrogen 3.538 N/A VAL 513.A N ASP 509.A O no hydrogen 3.162 N/A LEU 514.A N ARG 510.A O no hydrogen 2.899 N/A ALA 515.A N ARG 511.A O no hydrogen 2.760 N/A MET 516.A N LEU 512.A O no hydrogen 2.774 N/A ASP 517.A N VAL 513.A O no hydrogen 2.995 N/A ASP 517.A N LEU 514.A O no hydrogen 3.173 N/A ARG 518.A N ALA 515.A O no hydrogen 3.280 N/A ILE 519.A N ASP 517.A O no hydrogen 2.784 N/A TRP 522.A N ARG 518.A O no hydrogen 3.117 N/A TRP 522.A NE1 ALA 515.A O no hydrogen 2.935 N/A PHE 523.A N ILE 519.A O no hydrogen 2.871 N/A ALA 524.A N GLY 520.A O no hydrogen 3.185 N/A VAL 525.A N PHE 521.A O no hydrogen 3.029 N/A ALA 526.A N TRP 522.A O no hydrogen 2.980 N/A ALA 527.A N PHE 523.A O no hydrogen 2.988 N/A ILE 528.A N ALA 524.A O no hydrogen 2.901 N/A LEU 529.A N VAL 525.A O no hydrogen 2.925 N/A VAL 530.A N ALA 526.A O no hydrogen 3.257 N/A VAL 531.A N ALA 527.A O no hydrogen 3.086 N/A LEU 532.A N ILE 528.A O no hydrogen 2.870 N/A ALA 533.A N LEU 529.A O no hydrogen 3.019 N/A TYR 534.A N VAL 530.A O no hydrogen 2.876 N/A GLY 535.A N VAL 531.A O no hydrogen 2.853 N/A LEU 538.A N TYR 534.A O no hydrogen 2.958 N/A VAL 539.A N GLY 535.A O no hydrogen 2.914 N/A GLN 540.A N PRO 536.A O no hydrogen 3.340 N/A LEU 541.A N THR 537.A O no hydrogen 2.972 N/A PHE 542.A N LEU 538.A O no hydrogen 2.949 N/A GLY 543.A N VAL 539.A O no hydrogen 3.215 N/A HIS 544.A N LEU 541.A O no hydrogen 3.115 N/A HIS 544.A ND1 GLN 540.A O no hydrogen 2.784 N/A ASN 546.A N ASP 212.A OD2 no hydrogen 2.682 N/A VAL 548.A N VAL 211.A O no hydrogen 3.133 N/A TRP 551.A N PRO 130.A O no hydrogen 2.884 N/A ARG 552.A NE TRP 554.A OXT no hydrogen 2.897 N/A ARG 552.A NH2 GLU 120.A OE1 no hydrogen 3.369 N/A ARG 552.A NH2 GLU 120.A OE2 no hydrogen 3.223 N/A TRP 554.A NE1 ASN 119.A O no hydrogen 2.769 N/A