Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6lrd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N.A PRO 427.A O no hydrogen 3.029 N/A HIS 4.A N.B PRO 427.A O no hydrogen 3.025 N/A LEU 6.A N VAL 429.A O no hydrogen 2.790 N/A LEU 7.A N ALA 530.A O no hydrogen 2.831 N/A ALA 8.A N LEU 431.A O no hydrogen 2.923 N/A ALA 11.A N GLN 31.A OE1 no hydrogen 2.905 N/A ARG 13.A NE ASP 651.A OD1 no hydrogen 2.913 N/A ARG 13.A NH2 GLU 647.A OE2 no hydrogen 2.886 N/A ARG 13.A NH2 ASP 651.A OD2 no hydrogen 3.062 N/A ALA 15.A N SER 12.A OG no hydrogen 3.105 N/A LEU 16.A N SER 12.A O no hydrogen 2.968 N/A LEU 17.A N ARG 13.A O no hydrogen 2.989 N/A ALA 18.A N ASP 14.A O no hydrogen 2.916 N/A THR 19.A N ALA 15.A O no hydrogen 3.038 N/A THR 19.A OG1 ALA 15.A O no hydrogen 3.115 N/A MET 20.A N LEU 16.A O no hydrogen 2.911 N/A ARG 21.A N LEU 17.A O no hydrogen 2.792 N/A GLU 22.A N ALA 18.A O no hydrogen 3.099 N/A TRP 23.A N THR 19.A O no hydrogen 3.201 N/A GLN 24.A NE2 ARG 21.A O no hydrogen 2.827 N/A SER 26.A N GLU 447.A OE1 no hydrogen 2.681 N/A SER 26.A OG GLU 447.A OE1 no hydrogen 2.777 N/A ALA 30.A N SER 26.A O no hydrogen 2.906 N/A GLN 31.A N PRO 27.A O no hydrogen 2.888 N/A GLN 31.A NE2 GLN 31.A O no hydrogen 3.002 N/A VAL 32.A N PRO 28.A O no hydrogen 3.079 N/A LEU 33.A N VAL 29.A O no hydrogen 3.099 N/A CYS 34.A N ALA 30.A O no hydrogen 2.832 N/A CYS 34.A SG ALA 15.A O no hydrogen 3.590 N/A CYS 34.A SG THR 19.A OG1 no hydrogen 3.224 N/A CYS 34.A SG ALA 30.A O no hydrogen 3.436 N/A GLY 35.A N GLN 31.A O no hydrogen 2.854 N/A ARG 36.A N VAL 32.A O no hydrogen 3.154 N/A ARG 36.A NE ASP 432.A OD1 no hydrogen 2.924 N/A ARG 36.A NH1 PRO 459.A O no hydrogen 2.850 N/A ARG 36.A NH2 ASP 432.A OD2 no hydrogen 2.802 N/A ARG 36.A NH2 PRO 459.A O no hydrogen 2.971 N/A ARG 36.A NH2 ARG 460.A O no hydrogen 3.375 N/A ASP 37.A N CYS 34.A O no hydrogen 3.139 N/A LEU 38.A N LEU 33.A O no hydrogen 3.069 N/A ARG 39.A N ASP 37.A O no hydrogen 3.258 N/A ARG 39.A NH2 ASP 179.A OD1 no hydrogen 3.336 N/A THR 40.A OG1 GLU 22.A OE1 no hydrogen 2.263 N/A THR 40.A OG1 GLU 22.A OE2 no hydrogen 3.185 N/A LEU 42.A N ARG 39.A O no hydrogen 2.963 N/A LEU 43.A N ARG 39.A O no hydrogen 3.169 N/A LEU 43.A N THR 40.A O no hydrogen 3.265 N/A ALA 44.A N THR 40.A O no hydrogen 2.789 N/A THR 50.A N HIS 193.A ND1 no hydrogen 2.932 N/A THR 50.A OG1 GLU 228.A OE1 no hydrogen 3.355 N/A THR 50.A OG1 GLU 228.A OE2 no hydrogen 2.775 N/A ASN 52.A N THR 50.A O no hydrogen 2.776 N/A ASN 52.A ND2 HIS 171.A O no hydrogen 3.373 N/A ALA 54.A N ASN 52.A OD1 no hydrogen 3.233 N/A LEU 55.A N ASN 52.A O no hydrogen 2.844 N/A ARG 56.A NH1 GLU 200.A OE2 no hydrogen 2.890 N/A GLU 57.A N PRO 53.A O no hydrogen 3.029 N/A ALA 58.A N ALA 54.A O no hydrogen 2.896 N/A ALA 59.A N LEU 55.A O no hydrogen 3.030 N/A ARG 60.A N ARG 56.A O no hydrogen 2.959 N/A HIS 61.A N GLU 57.A O no hydrogen 2.971 N/A HIS 61.A ND1 GLU 151.A OE2 no hydrogen 2.706 N/A ILE 62.A N ALA 58.A O no hydrogen 2.899 N/A VAL 63.A N ALA 59.A O no hydrogen 2.914 N/A ALA 64.A N ARG 60.A O no hydrogen 2.962 N/A ALA 65.A N HIS 61.A O no hydrogen 3.029 N/A VAL 66.A N ILE 62.A O no hydrogen 2.926 N/A ARG 67.A N VAL 63.A O no hydrogen 3.006 N/A GLU 68.A N ALA 64.A O no hydrogen 2.889 N/A GLY 69.A N VAL 66.A O no hydrogen 3.136 N/A LYS 70.A N ALA 65.A O no hydrogen 2.978 N/A LYS 70.A NZ GLU 68.A OE1 no hydrogen 2.900 N/A ARG 71.A N.A ASP 127.A OD2 no hydrogen 2.841 N/A ARG 71.A N.B ASP 127.A OD2 no hydrogen 2.839 N/A ARG 71.A NE.B ASP 127.A OD2 no hydrogen 2.512 N/A ARG 71.A NH2.B ASP 127.A OD1 no hydrogen 3.365 N/A ILE 72.A N ASN 99.A O no hydrogen 2.848 N/A ARG 73.A N LEU 128.A O no hydrogen 2.987 N/A ARG 73.A NE HIS 101.A NE2 no hydrogen 2.896 N/A ARG 73.A NH1 HIS 122.A ND1 no hydrogen 2.872 N/A ARG 73.A NH2 HIS 101.A NE2 no hydrogen 3.300 N/A ILE 74.A N HIS 101.A O no hydrogen 2.796 N/A HIS 75.A N VAL 130.A O no hydrogen 2.855 N/A GLY 76.A N PHE 103.A O no hydrogen 2.890 N/A ALA 80.A N ASN 274.A OD1 no hydrogen 2.807 N/A GLY 82.A N ASP 79.A OD1 no hydrogen 3.040 N/A VAL 83.A N ASP 79.A O no hydrogen 2.841 N/A SER 84.A N ALA 80.A O no hydrogen 2.915 N/A SER 84.A OG.A ALA 80.A O no hydrogen 2.661 N/A SER 84.A OG.B ALA 80.A O no hydrogen 2.718 N/A SER 84.A OG.B ASP 81.A O no hydrogen 3.132 N/A SER 84.A OG.B LEU 213.A O no hydrogen 3.303 N/A ALA 85.A N ASP 81.A O no hydrogen 2.892 N/A THR 86.A N GLY 82.A O no hydrogen 3.012 N/A THR 86.A OG1 GLY 82.A O no hydrogen 2.725 N/A ALA 87.A N VAL 83.A O no hydrogen 2.852 N/A THR 88.A N SER 84.A O no hydrogen 2.935 N/A THR 88.A OG1 SER 84.A O no hydrogen 2.760 N/A LEU 89.A N ALA 85.A O no hydrogen 3.248 N/A VAL 90.A N THR 86.A O no hydrogen 2.888 N/A LEU 91.A N ALA 87.A O no hydrogen 2.908 N/A GLY 92.A N THR 88.A O no hydrogen 2.890 N/A LEU 93.A N LEU 89.A O no hydrogen 2.935 N/A ARG 94.A N VAL 90.A O no hydrogen 2.960 N/A ARG 94.A NH2 VAL 100.A O no hydrogen 2.670 N/A ALA 95.A N LEU 91.A O no hydrogen 3.021 N/A ILE 96.A N LEU 93.A O no hydrogen 3.125 N/A GLY 97.A N ARG 94.A O no hydrogen 3.024 N/A ALA 98.A N LEU 93.A O no hydrogen 2.984 N/A HIS 101.A N ILE 72.A O no hydrogen 2.991 N/A PHE 103.A N ILE 74.A O no hydrogen 2.694 N/A LEU 108.A N HIS 106.A ND1 no hydrogen 2.986 N/A ASN 109.A N HIS 106.A ND1 no hydrogen 3.280 N/A ASN 109.A N HIS 106.A O no hydrogen 3.312 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 2.942 N/A GLY 111.A N HIS 106.A O no hydrogen 2.869 N/A TYR 112.A OH ASP 133.A O no hydrogen 3.085 N/A ILE 114.A N ASN 138.A OD1 no hydrogen 2.938 N/A ASP 117.A N HIS 115.A ND1 no hydrogen 3.068 N/A ARG 118.A N HIS 115.A O no hydrogen 2.985 N/A ARG 118.A NE GLU 110.A OE2 no hydrogen 3.140 N/A ARG 118.A NH1 GLU 121.A OE2 no hydrogen 2.724 N/A ARG 118.A NH2 GLU 110.A OE2 no hydrogen 2.759 N/A VAL 119.A N PRO 116.A O no hydrogen 3.351 N/A HIS 122.A N ARG 118.A O no hydrogen 2.989 N/A ALA 123.A N VAL 119.A O no hydrogen 2.974 N/A ALA 124.A N PRO 120.A O no hydrogen 2.979 N/A ALA 125.A N GLU 121.A O no hydrogen 2.955 N/A ASP 127.A N ARG 71.A O.A no hydrogen 2.773 N/A ASP 127.A N ARG 71.A O.B no hydrogen 2.785 N/A LEU 128.A N ARG 71.A O.A no hydrogen 3.066 N/A LEU 128.A N ARG 71.A O.B no hydrogen 3.058 N/A VAL 129.A N GLU 151.A O no hydrogen 2.756 N/A VAL 130.A N ARG 73.A O no hydrogen 3.012 N/A THR 131.A N VAL 153.A O no hydrogen 2.925 N/A THR 131.A OG1 CYS 134.A O no hydrogen 2.757 N/A THR 131.A OG1 THR 155.A O no hydrogen 3.508 N/A VAL 132.A N HIS 75.A O no hydrogen 2.921 N/A CYS 134.A SG HIS 75.A ND1 no hydrogen 3.593 N/A CYS 134.A SG HIS 75.A O no hydrogen 3.617 N/A CYS 134.A SG GLY 76.A O no hydrogen 3.603 N/A CYS 134.A SG VAL 132.A O no hydrogen 3.644 N/A VAL 136.A N ASP 156.A OD2 no hydrogen 2.971 N/A ASN 138.A N GLY 135.A O no hydrogen 2.926 N/A ASN 138.A ND2 GLU 141.A OE1 no hydrogen 3.223 N/A VAL 142.A N ASN 138.A O no hydrogen 2.869 N/A LYS 143.A N LEU 139.A O no hydrogen 3.075 N/A SER 144.A N ASP 140.A O no hydrogen 2.946 N/A SER 144.A OG ASP 140.A O no hydrogen 3.093 N/A LEU 145.A N GLU 141.A O no hydrogen 2.954 N/A LEU 146.A N VAL 142.A O no hydrogen 2.906 N/A ALA 147.A N LYS 143.A O no hydrogen 2.910 N/A THR 148.A N LEU 145.A O no hydrogen 3.068 N/A THR 148.A OG1 LEU 145.A O no hydrogen 2.696 N/A THR 148.A OG1 THR 150.A OG1 no hydrogen 2.798 N/A GLY 149.A N LEU 146.A O no hydrogen 2.869 N/A THR 150.A N LEU 145.A O no hydrogen 3.426 N/A THR 150.A OG1 THR 148.A OG1 no hydrogen 2.798 N/A GLU 151.A N ASP 127.A O no hydrogen 2.926 N/A VAL 153.A N VAL 129.A O no hydrogen 2.833 N/A VAL 154.A N LEU 168.A O no hydrogen 2.983 N/A THR 155.A N THR 131.A O no hydrogen 3.194 N/A THR 155.A N THR 131.A OG1 no hydrogen 3.132 N/A THR 155.A OG1 THR 131.A O no hydrogen 2.718 N/A ASP 156.A N VAL 170.A O no hydrogen 3.155 N/A HIS 157.A N ASP 156.A OD1 no hydrogen 2.612 N/A HIS 158.A N ASP 156.A OD1 no hydrogen 3.146 N/A ALA 159.A N GLY 394.A O no hydrogen 2.910 N/A CYS 167.A SG LEU 168.A O no hydrogen 3.537 N/A VAL 170.A N VAL 154.A O no hydrogen 2.703 N/A HIS 171.A NE2 HIS 158.A O no hydrogen 2.632 N/A HIS 173.A N HIS 171.A ND1 no hydrogen 2.997 N/A LEU 174.A N HIS 171.A O no hydrogen 2.889 N/A THR 175.A N PRO 172.A O no hydrogen 3.062 N/A THR 175.A OG1 PRO 172.A O no hydrogen 2.639 N/A ASP 179.A N HIS 183.A ND1 no hydrogen 3.003 N/A ASP 181.A N ASP 179.A OD1 no hydrogen 3.135 N/A ARG 182.A N ASP 179.A O no hydrogen 2.790 N/A ARG 182.A NH1 GLU 41.A OE1 no hydrogen 2.624 N/A HIS 183.A N ASP 179.A O no hydrogen 2.811 N/A ASN 184.A ND2 LEU 226.A O no hydrogen 2.810 N/A THR 186.A OG1 ASP 81.A OD1 no hydrogen 2.850 N/A GLY 187.A N ASP 81.A OD2 no hydrogen 2.833 N/A ALA 188.A N ASP 81.A OD1 no hydrogen 2.853 N/A VAL 190.A N THR 186.A O no hydrogen 2.795 N/A ALA 191.A N GLY 187.A O no hydrogen 3.003 N/A TYR 192.A N ALA 188.A O no hydrogen 2.902 N/A HIS 193.A N GLY 189.A O no hydrogen 3.035 N/A LEU 194.A N VAL 190.A O no hydrogen 2.806 N/A LEU 195.A N ALA 191.A O no hydrogen 2.942 N/A TRP 196.A N TYR 192.A O no hydrogen 2.856 N/A ALA 197.A N HIS 193.A O no hydrogen 2.846 N/A VAL 198.A N LEU 194.A O no hydrogen 2.934 N/A TYR 199.A N LEU 195.A O no hydrogen 2.893 N/A TYR 199.A OH GLY 92.A O no hydrogen 2.635 N/A GLU 200.A N TRP 196.A O no hydrogen 2.850 N/A GLU 201.A N ALA 197.A O no hydrogen 3.008 N/A LEU 202.A N VAL 198.A O no hydrogen 3.086 N/A GLY 203.A N GLU 200.A O no hydrogen 3.032 N/A ARG 204.A N TYR 199.A O no hydrogen 2.877 N/A ARG 208.A N GLU 206.A O no hydrogen 2.750 N/A ARG 208.A NE GLU 206.A OE2 no hydrogen 3.203 N/A LEU 210.A N PRO 207.A O no hydrogen 3.007 N/A LEU 211.A N ARG 208.A O no hydrogen 3.007 N/A LEU 213.A N LEU 210.A O no hydrogen 3.044 N/A THR 215.A N LEU 211.A O no hydrogen 2.838 N/A THR 215.A OG1 LEU 211.A O no hydrogen 2.918 N/A LEU 216.A N PRO 212.A O no hydrogen 2.988 N/A GLY 217.A N LEU 213.A O no hydrogen 3.028 N/A THR 218.A N ALA 214.A O no hydrogen 2.960 N/A THR 218.A OG1 ALA 214.A O no hydrogen 2.722 N/A VAL 219.A N THR 215.A O no hydrogen 3.069 N/A ALA 220.A N LEU 216.A O no hydrogen 2.960 N/A ASP 221.A N GLY 217.A O no hydrogen 3.062 N/A VAL 222.A N VAL 219.A O no hydrogen 3.072 N/A LEU 225.A N GLU 456.A O no hydrogen 2.871 N/A GLY 227.A N LEU 42.A O no hydrogen 2.821 N/A GLU 228.A N ARG 182.A O no hydrogen 2.933 N/A ASN 229.A N ASN 184.A OD1 no hydrogen 2.970 N/A ASN 229.A ND2 ASN 184.A O no hydrogen 2.952 N/A ASN 229.A ND2 PRO 224.A O no hydrogen 2.915 N/A ARG 230.A N LEU 226.A O no hydrogen 3.224 N/A ARG 230.A NH1 LEU 43.A O no hydrogen 3.017 N/A ARG 230.A NH2 GLU 452.A O no hydrogen 2.730 N/A ALA 231.A N GLY 227.A O no hydrogen 3.145 N/A LEU 232.A N GLU 228.A O no hydrogen 3.040 N/A VAL 233.A N ASN 229.A O no hydrogen 2.879 N/A ARG 234.A N ARG 230.A O no hydrogen 2.994 N/A ALA 235.A N ALA 231.A O no hydrogen 3.391 N/A GLY 236.A N LEU 232.A O no hydrogen 2.793 N/A LEU 237.A N VAL 233.A O no hydrogen 2.714 N/A ALA 238.A N ARG 234.A O no hydrogen 3.478 N/A GLU 239.A N ALA 235.A O no hydrogen 3.070 N/A MET 240.A N GLY 236.A O no hydrogen 2.751 N/A ALA 241.A N LEU 237.A O no hydrogen 3.143 N/A ARG 242.A N GLU 239.A O no hydrogen 3.187 N/A THR 243.A N MET 240.A O no hydrogen 3.207 N/A LEU 245.A N THR 243.A OG1 no hydrogen 3.131 N/A ARG 249.A N LEU 245.A O no hydrogen 3.003 N/A ARG 249.A NE THR 243.A O no hydrogen 2.955 N/A ARG 249.A NH2 ALA 241.A O no hydrogen 3.019 N/A ARG 249.A NH2 THR 243.A O no hydrogen 2.936 N/A ALA 250.A N PRO 246.A O no hydrogen 2.915 N/A LEU 251.A N GLY 247.A O no hydrogen 3.207 N/A MET 252.A N LEU 248.A O no hydrogen 2.946 N/A ASN 253.A N ARG 249.A O no hydrogen 2.800 N/A GLU 254.A N ALA 250.A O no hydrogen 3.006 N/A LYS 255.A N LEU 251.A O no hydrogen 3.138 N/A LYS 255.A N MET 252.A O no hydrogen 3.278 N/A LYS 255.A NZ GLU 305.A OE2 no hydrogen 2.952 N/A ARG 256.A N ASN 253.A O no hydrogen 3.175 N/A ARG 256.A NH1 ASN 253.A O no hydrogen 3.258 N/A VAL 257.A N MET 252.A O no hydrogen 2.906 N/A THR 261.A N ASP 264.A OD2 no hydrogen 2.935 N/A ASP 264.A N THR 261.A OG1 no hydrogen 3.027 N/A VAL 265.A N THR 261.A O no hydrogen 2.928 N/A ALA 266.A N ALA 262.A O no hydrogen 2.918 N/A PHE 267.A N ARG 263.A O no hydrogen 2.856 N/A ILE 268.A N ASP 264.A O no hydrogen 2.936 N/A LEU 269.A N ASP 264.A O no hydrogen 3.146 N/A ALA 270.A N VAL 265.A O no hydrogen 2.858 N/A ARG 272.A N LEU 269.A O no hydrogen 3.229 N/A ARG 272.A NE GLU 305.A OE1 no hydrogen 2.834 N/A ARG 272.A NH1 ILE 268.A O no hydrogen 2.754 N/A ARG 272.A NH2 GLU 305.A OE2 no hydrogen 3.031 N/A ILE 273.A N LEU 269.A O no hydrogen 3.463 N/A ASN 274.A N ALA 270.A O no hydrogen 2.800 N/A ALA 275.A N PRO 271.A O no hydrogen 2.784 N/A ARG 278.A N ASN 274.A O no hydrogen 3.025 N/A ARG 278.A NH1 GLY 343.A O no hydrogen 2.961 N/A MET 279.A N ALA 275.A O no hydrogen 2.980 N/A GLY 280.A N GLY 277.A O no hydrogen 2.934 N/A GLU 281.A N ALA 276.A O no hydrogen 2.718 N/A ARG 284.A N GLU 281.A O no hydrogen 2.980 N/A ARG 284.A NE GLU 287.A OE1 no hydrogen 2.614 N/A ARG 284.A NH2 GLU 287.A OE1 no hydrogen 2.102 N/A ALA 285.A N ALA 282.A O no hydrogen 2.960 N/A LEU 286.A N ALA 282.A O no hydrogen 3.274 N/A GLU 287.A N ASP 283.A O no hydrogen 2.981 N/A LEU 288.A N ARG 284.A O no hydrogen 3.064 N/A LEU 289.A N ALA 285.A O no hydrogen 2.992 N/A THR 290.A N GLU 287.A O no hydrogen 3.264 N/A THR 290.A OG1 LEU 286.A O no hydrogen 2.657 N/A THR 290.A OG1 GLU 287.A O no hydrogen 3.528 N/A THR 291.A OG1 GLU 296.A OE1 no hydrogen 2.494 N/A SER 293.A N THR 291.A OG1 no hydrogen 3.183 N/A GLU 296.A N SER 293.A OG no hydrogen 2.958 N/A ALA 297.A N SER 293.A O no hydrogen 2.909 N/A LYS 298.A N ASP 294.A O no hydrogen 2.965 N/A SER 299.A N HIS 295.A O no hydrogen 3.193 N/A SER 299.A OG HIS 295.A O no hydrogen 3.223 N/A SER 299.A OG GLU 296.A O no hydrogen 2.948 N/A LEU 300.A N GLU 296.A O no hydrogen 2.861 N/A ALA 301.A N ALA 297.A O no hydrogen 2.866 N/A ALA 302.A N LYS 298.A O no hydrogen 3.060 N/A TYR 303.A N SER 299.A O no hydrogen 2.979 N/A TYR 303.A OH GLU 281.A OE1 no hydrogen 2.547 N/A TYR 303.A OH GLU 281.A OE2 no hydrogen 3.266 N/A LEU 304.A N LEU 300.A O no hydrogen 2.811 N/A GLU 305.A N ALA 301.A O no hydrogen 2.886 N/A ILE 306.A N TYR 303.A O no hydrogen 3.204 N/A ARG 307.A N TYR 303.A O no hydrogen 3.209 N/A ARG 307.A NE GLU 281.A OE2 no hydrogen 2.724 N/A ARG 307.A NH1 TYR 303.A OH no hydrogen 2.807 N/A ARG 307.A NH2 GLU 310.A OE1 no hydrogen 3.036 N/A ASN 308.A N LEU 304.A O no hydrogen 2.862 N/A GLN 309.A N GLU 305.A O no hydrogen 3.158 N/A GLU 310.A N ILE 306.A O no hydrogen 2.962 N/A ARG 311.A N ARG 307.A O no hydrogen 2.841 N/A ARG 311.A NE GLN 315.A OE1 no hydrogen 3.342 N/A ARG 311.A NH1 ASN 308.A OD1 no hydrogen 2.848 N/A ARG 311.A NH2 GLN 315.A OE1 no hydrogen 2.732 N/A ARG 312.A N ASN 308.A O no hydrogen 3.009 N/A LYS 313.A N GLN 309.A O no hydrogen 3.135 N/A ILE 314.A N GLU 310.A O no hydrogen 3.074 N/A GLN 315.A N ARG 311.A O no hydrogen 2.865 N/A ASP 316.A N ARG 312.A O no hydrogen 2.862 N/A ASP 317.A N LYS 313.A O no hydrogen 3.057 N/A MET 318.A N ILE 314.A O no hydrogen 3.055 N/A PHE 319.A N GLN 315.A O no hydrogen 2.840 N/A ALA 320.A N ASP 316.A O no hydrogen 2.991 N/A GLN 321.A N ASP 317.A O no hydrogen 3.096 N/A ALA 322.A N MET 318.A O no hydrogen 2.759 N/A LEU 323.A N PHE 319.A O no hydrogen 3.027 N/A GLN 324.A N ALA 320.A O no hydrogen 3.394 N/A GLN 324.A NE2 ALA 320.A O no hydrogen 2.921 N/A LEU 325.A N GLN 321.A O no hydrogen 3.154 N/A ASN 329.A N ASP 327.A OD1 no hydrogen 2.704 N/A ASP 330.A N ASP 327.A O no hydrogen 2.871 N/A LEU 333.A N PRO 359.A O no hydrogen 2.988 N/A LEU 335.A N TYR 361.A O no hydrogen 2.872 N/A THR 336.A OG1 VAL 363.A O no hydrogen 2.652 N/A ASP 339.A N HIS 337.A ND1 no hydrogen 3.183 N/A TRP 340.A N HIS 337.A O no hydrogen 3.218 N/A TRP 340.A NE1 GLN 321.A OE1 no hydrogen 2.892 N/A ALA 342.A N GLN 365.A OE1 no hydrogen 3.184 N/A GLY 343.A N HIS 341.A ND1 no hydrogen 2.763 N/A VAL 344.A N HIS 341.A O no hydrogen 3.470 N/A VAL 348.A N VAL 344.A O no hydrogen 3.248 N/A ALA 349.A N MET 345.A O no hydrogen 2.862 N/A SER 350.A N GLY 346.A O no hydrogen 2.960 N/A SER 350.A OG GLY 346.A O no hydrogen 3.189 N/A LYS 351.A N ILE 347.A O no hydrogen 2.964 N/A LEU 352.A N VAL 348.A O no hydrogen 2.910 N/A VAL 353.A N ALA 349.A O no hydrogen 2.890 N/A GLU 354.A N SER 350.A O no hydrogen 3.046 N/A THR 355.A N LYS 351.A O no hydrogen 3.131 N/A THR 355.A OG1 LYS 351.A O no hydrogen 2.859 N/A PHE 356.A N LEU 352.A O no hydrogen 2.842 N/A ASN 357.A N VAL 353.A O no hydrogen 2.730 N/A ARG 358.A NE ASP 330.A O no hydrogen 3.165 N/A ARG 358.A NH1 PHE 356.A O no hydrogen 2.702 N/A ARG 358.A NH2 PRO 328.A O no hydrogen 2.616 N/A VAL 360.A N ARG 371.A O no hydrogen 2.838 N/A TYR 361.A N LEU 333.A O no hydrogen 2.638 N/A ILE 362.A N SER 369.A O no hydrogen 2.918 N/A VAL 363.A N LEU 335.A O no hydrogen 2.935 N/A ALA 364.A N LYS 367.A O no hydrogen 2.814 N/A LYS 367.A N ALA 364.A O no hydrogen 3.012 N/A LYS 367.A NZ LEU 108.A O no hydrogen 3.134 N/A LYS 367.A NZ ASN 109.A O no hydrogen 2.872 N/A GLY 368.A N PHE 401.A O no hydrogen 2.766 N/A SER 369.A N ILE 362.A O no hydrogen 2.854 N/A VAL 370.A N ALA 399.A O no hydrogen 2.734 N/A ARG 371.A N VAL 360.A O no hydrogen 2.986 N/A ARG 371.A NH1 VAL 370.A O no hydrogen 2.939 N/A SER 372.A N GLY 397.A O no hydrogen 3.084 N/A SER 372.A OG ILE 376.A O no hydrogen 2.522 N/A THR 373.A N SER 372.A OG no hydrogen 2.811 N/A ILE 376.A N THR 373.A O no hydrogen 3.083 N/A ALA 378.A N PRO 396.A O no hydrogen 2.726 N/A VAL 379.A N SER 377.A OG no hydrogen 3.158 N/A GLN 380.A N SER 377.A OG no hydrogen 3.090 N/A ARG 383.A N VAL 379.A O no hydrogen 2.861 N/A GLU 384.A N GLN 380.A O no hydrogen 2.946 N/A SER 385.A N LEU 382.A O no hydrogen 2.695 N/A SER 385.A OG GLY 381.A O no hydrogen 2.596 N/A ARG 386.A N ARG 383.A O no hydrogen 3.145 N/A LEU 388.A N SER 385.A O no hydrogen 2.759 N/A LEU 389.A N ARG 386.A O no hydrogen 3.102 N/A GLY 390.A N SER 402.A O no hydrogen 2.988 N/A GLY 393.A N GLY 400.A O no hydrogen 3.104 N/A HIS 395.A N ALA 398.A O no hydrogen 2.731 N/A ALA 398.A N HIS 395.A O no hydrogen 3.176 N/A ALA 399.A N VAL 370.A O no hydrogen 3.044 N/A GLY 400.A N GLY 393.A O no hydrogen 2.898 N/A PHE 401.A N GLY 368.A O no hydrogen 3.079 N/A SER 402.A N ARG 391.A O no hydrogen 3.191 N/A LEU 403.A N GLY 366.A O no hydrogen 2.897 N/A GLN 406.A N ASP 404.A OD1 no hydrogen 3.119 N/A ASN 407.A N ASP 404.A O no hydrogen 2.808 N/A ASN 407.A ND2 LEU 388.A O no hydrogen 2.829 N/A PHE 408.A N PRO 405.A O no hydrogen 3.357 N/A LEU 411.A N ASN 407.A O no hydrogen 2.955 N/A ARG 412.A N PHE 408.A O no hydrogen 2.880 N/A GLU 413.A N GLY 409.A O no hydrogen 3.043 N/A ARG 414.A N ALA 410.A O no hydrogen 2.817 N/A ARG 414.A NH1 ASP 387.A OD2 no hydrogen 2.947 N/A ARG 414.A NH2 GLU 384.A O no hydrogen 2.518 N/A ARG 414.A NH2 ASP 387.A OD1 no hydrogen 3.001 N/A ILE 415.A N LEU 411.A O no hydrogen 2.751 N/A HIS 416.A N ARG 412.A O no hydrogen 2.921 N/A HIS 416.A NE2 ALA 332.A O no hydrogen 3.024 N/A GLY 417.A N GLU 413.A O no hydrogen 3.014 N/A TYR 418.A N ARG 414.A O no hydrogen 2.954 N/A VAL 419.A N ILE 415.A O no hydrogen 2.845 N/A ARG 420.A N HIS 416.A O no hydrogen 2.969 N/A GLN 421.A NE2 TYR 418.A O no hydrogen 3.176 N/A PHE 422.A N VAL 419.A O no hydrogen 3.127 N/A VAL 429.A N HIS 4.A O.A no hydrogen 2.867 N/A VAL 429.A N HIS 4.A O.B no hydrogen 2.613 N/A LEU 431.A N LEU 6.A O no hydrogen 2.684 N/A ASP 432.A N LEU 462.A O no hydrogen 2.766 N/A LEU 435.A N HIS 464.A O no hydrogen 2.944 N/A ALA 439.A N PRO 436.A O no hydrogen 2.838 N/A LEU 440.A N VAL 437.A O no hydrogen 3.276 N/A THR 441.A N ALA 439.A O no hydrogen 2.885 N/A LEU 444.A N THR 441.A OG1 no hydrogen 3.228 N/A LEU 445.A N THR 441.A O no hydrogen 3.346 N/A SER 446.A N PRO 442.A O no hydrogen 3.004 N/A SER 446.A OG PRO 442.A O no hydrogen 2.968 N/A GLU 447.A N GLU 443.A O no hydrogen 3.397 N/A GLU 447.A N LEU 444.A O no hydrogen 3.161 N/A LEU 448.A N LEU 445.A O no hydrogen 3.139 N/A SER 449.A N SER 446.A O no hydrogen 3.281 N/A SER 449.A OG SER 446.A O no hydrogen 3.063 N/A LEU 451.A N LEU 448.A O no hydrogen 2.966 N/A GLU 452.A N SER 449.A O no hydrogen 2.996 N/A GLY 455.A N ASN 458.A O no hydrogen 3.000 N/A ASN 458.A N GLY 455.A O no hydrogen 2.804 N/A ASN 458.A ND2 LEU 451.A O no hydrogen 2.764 N/A ASN 458.A ND2 PRO 453.A O no hydrogen 3.136 N/A LEU 462.A N ASP 432.A OD2 no hydrogen 2.798 N/A TRP 463.A N ALA 508.A O no hydrogen 2.819 N/A HIS 464.A N ALA 433.A O no hydrogen 2.892 N/A HIS 464.A ND1 HIS 660.A NE2 no hydrogen 2.851 N/A HIS 464.A NE2 ASP 505.A OD1 no hydrogen 2.803 N/A LEU 465.A N VAL 506.A O no hydrogen 3.020 N/A ARG 466.A NE ASP 505.A OD1 no hydrogen 2.828 N/A ARG 466.A NH2 ASP 505.A OD1 no hydrogen 3.286 N/A ARG 466.A NH2 ASP 505.A OD2 no hydrogen 3.276 N/A GLY 467.A N ARG 504.A O no hydrogen 2.998 N/A LEU 469.A N GLY 502.A O no hydrogen 2.690 N/A THR 470.A N ARG 485.A O no hydrogen 3.018 N/A THR 470.A OG1 ASP 471.A OD1 no hydrogen 3.279 N/A THR 470.A OG1 ARG 485.A O no hydrogen 3.431 N/A THR 472.A OG1 ASP 499.A O no hydrogen 2.838 N/A ARG 473.A N GLN 483.A O no hydrogen 2.712 N/A VAL 475.A N VAL 481.A O no hydrogen 2.649 N/A VAL 481.A N VAL 475.A O no hydrogen 3.110 N/A LEU 482.A N LYS 493.A O no hydrogen 2.903 N/A GLN 483.A N ARG 473.A O no hydrogen 2.613 N/A PHE 484.A N GLY 491.A O no hydrogen 2.939 N/A ARG 485.A N THR 470.A O no hydrogen 2.811 N/A PHE 486.A N VAL 489.A O no hydrogen 2.896 N/A VAL 489.A N PHE 486.A O no hydrogen 2.942 N/A LYS 490.A NZ GLU 517.A OE2 no hydrogen 3.528 N/A GLY 491.A N PHE 484.A O no hydrogen 2.857 N/A MET 492.A N LEU 518.A O no hydrogen 3.008 N/A LYS 493.A N LEU 482.A O no hydrogen 2.835 N/A LYS 493.A NZ TYR 494.A O no hydrogen 3.307 N/A LYS 493.A NZ GLU 496.A OE1 no hydrogen 3.078 N/A GLU 496.A N ASP 480.A O no hydrogen 2.797 N/A ARG 497.A NH1 GLN 478.A O no hydrogen 3.416 N/A ARG 497.A NH2 GLN 478.A O no hydrogen 2.824 N/A ALA 500.A N ASP 498.A OD1 no hydrogen 2.837 N/A GLY 502.A N LEU 469.A O no hydrogen 3.039 N/A ARG 504.A N GLY 467.A O no hydrogen 2.740 N/A ARG 504.A NH1 GLU 503.A O no hydrogen 3.222 N/A ASP 505.A N ARG 524.A O no hydrogen 2.908 N/A VAL 506.A N LEU 465.A O no hydrogen 2.745 N/A ALA 507.A N ALA 522.A O no hydrogen 3.145 N/A ALA 508.A N TRP 463.A O no hydrogen 3.129 N/A GLU 509.A N HIS 519.A O no hydrogen 2.995 N/A ALA 511.A N GLU 517.A O no hydrogen 2.829 N/A ASN 513.A N SER 515.A O no hydrogen 2.596 N/A SER 515.A OG ASN 513.A OD1 no hydrogen 3.345 N/A GLU 517.A N ALA 511.A O no hydrogen 2.787 N/A LEU 518.A N LYS 490.A O no hydrogen 2.976 N/A HIS 519.A N GLU 509.A O no hydrogen 2.857 N/A ALA 520.A N MET 492.A O no hydrogen 2.940 N/A ALA 521.A N ALA 507.A O no hydrogen 2.692 N/A ALA 522.A N ALA 507.A O no hydrogen 3.367 N/A ARG 524.A N ASP 505.A O no hydrogen 3.239 N/A ARG 524.A NE ASP 505.A OD2 no hydrogen 3.050 N/A ARG 524.A NH2 ASP 505.A OD2 no hydrogen 3.291 N/A ARG 524.A NH2 PRO 528.A O no hydrogen 3.170 N/A ALA 527.A N ASP 505.A OD2 no hydrogen 3.485 N/A LEU 529.A N VAL 664.A O no hydrogen 2.674 N/A ALA 532.A N LEU 7.A O no hydrogen 2.846 N/A THR 534.A OG1 ALA 668.A O no hydrogen 3.567 N/A THR 540.A OG1 LEU 538.A O no hydrogen 3.570 N/A ARG 543.A NH1 TYR 662.A O no hydrogen 2.747 N/A ARG 543.A NH1 LEU 665.A O no hydrogen 2.835 N/A ARG 543.A NH2 LEU 665.A O no hydrogen 2.923 N/A ARG 543.A NH2 ASP 667.A OD1 no hydrogen 2.895 N/A LEU 544.A N PHE 617.A O no hydrogen 2.756 N/A GLU 548.A N ASN 545.A OD1 no hydrogen 2.859 N/A ALA 549.A N ASN 545.A O no hydrogen 2.795 N/A MET 550.A N PRO 546.A O no hydrogen 3.301 N/A MET 550.A N ARG 547.A O no hydrogen 3.042 N/A THR 551.A N GLU 548.A O no hydrogen 2.997 N/A THR 551.A OG1 GLU 548.A O no hydrogen 3.474 N/A LEU 553.A N ALA 549.A O no hydrogen 3.165 N/A LYS 554.A N MET 550.A O no hydrogen 2.828 N/A THR 555.A N THR 551.A O no hydrogen 3.107 N/A THR 555.A N PHE 552.A O no hydrogen 3.161 N/A THR 555.A OG1 THR 551.A O no hydrogen 2.986 N/A THR 555.A OG1 PHE 552.A O no hydrogen 3.030 N/A GLY 556.A N LEU 553.A O no hydrogen 3.087 N/A ALA 557.A N PHE 552.A O no hydrogen 2.981 N/A ALA 558.A N ASP 589.A O no hydrogen 2.890 N/A ALA 559.A N THR 577.A O no hydrogen 2.964 N/A TYR 560.A N ILE 591.A O no hydrogen 3.057 N/A ALA 566.A N GLU 562.A O no hydrogen 2.656 N/A THR 567.A N GLN 563.A O no hydrogen 2.882 N/A THR 567.A OG1 GLN 563.A O no hydrogen 3.310 N/A THR 567.A OG1 GLY 564.A O no hydrogen 3.164 N/A LEU 569.A N VAL 565.A O no hydrogen 2.872 N/A ARG 570.A N ALA 566.A O no hydrogen 2.798 N/A ASP 571.A N THR 567.A O no hydrogen 3.055 N/A ASN 572.A N TYR 568.A O no hydrogen 3.180 N/A ASN 572.A N LEU 569.A O no hydrogen 3.175 N/A ASN 572.A ND2 TYR 568.A O no hydrogen 2.676 N/A VAL 573.A N LEU 569.A O no hydrogen 2.815 N/A LEU 576.A N VAL 573.A O no hydrogen 3.271 N/A LEU 579.A N ALA 559.A O no hydrogen 2.920 N/A ASN 582.A N ASP 580.A OD1 no hydrogen 3.088 N/A ALA 583.A N ASP 580.A O no hydrogen 2.978 N/A HIS 585.A N GLU 607.A OE1 no hydrogen 2.791 N/A HIS 585.A NE2 ARG 614.A O no hydrogen 3.036 N/A GLY 587.A N HIS 585.A ND1 no hydrogen 2.940 N/A LEU 590.A N ARG 614.A O no hydrogen 3.112 N/A ILE 591.A N ALA 558.A O no hydrogen 2.843 N/A LEU 592.A N ALA 616.A O no hydrogen 2.751 N/A TYR 593.A N TYR 560.A O no hydrogen 2.733 N/A TYR 593.A OH PRO 546.A O no hydrogen 2.986 N/A GLY 594.A N TYR 560.A O no hydrogen 3.273 N/A LEU 601.A N PRO 597.A O no hydrogen 2.896 N/A ARG 602.A N GLU 598.A O no hydrogen 2.912 N/A ARG 602.A NH1 GLU 598.A OE1 no hydrogen 3.053 N/A ARG 602.A NH1 LEU 678.A O no hydrogen 3.224 N/A ARG 603.A N SER 599.A O no hydrogen 3.183 N/A ARG 603.A NH1 THR 581.A O no hydrogen 3.318 N/A ARG 603.A NH1 ALA 583.A O no hydrogen 2.872 N/A ARG 603.A NH2 THR 581.A O no hydrogen 3.198 N/A TRP 604.A N ALA 600.A O no hydrogen 2.903 N/A TRP 604.A NE1 ALA 583.A O no hydrogen 2.892 N/A LEU 605.A N LEU 601.A O no hydrogen 2.878 N/A HIS 606.A N ARG 602.A O no hydrogen 3.007 N/A GLU 607.A N ARG 603.A O no hydrogen 2.791 N/A ALA 608.A N TRP 604.A O no hydrogen 2.968 N/A GLN 609.A N LEU 605.A O no hydrogen 3.186 N/A GLU 610.A N HIS 606.A O no hydrogen 2.880 N/A GLN 611.A N GLU 607.A O no hydrogen 2.850 N/A GLY 612.A N ALA 608.A O no hydrogen 2.658 N/A ARG 614.A N GLY 588.A O no hydrogen 2.991 N/A ARG 614.A NE ASP 589.A OD1 no hydrogen 3.135 N/A ARG 614.A NH2 ASP 589.A OD1 no hydrogen 3.262 N/A ALA 616.A N LEU 590.A O no hydrogen 2.892 N/A PHE 617.A N PRO 542.A O no hydrogen 2.845 N/A ALA 618.A N LEU 592.A O no hydrogen 2.857 N/A LEU 619.A N TYR 662.A OH no hydrogen 3.001 N/A LEU 624.A N GLY 620.A O no hydrogen 2.923 N/A ALA 625.A N PRO 621.A O no hydrogen 2.849 N/A GLU 626.A N LYS 622.A O no hydrogen 3.017 N/A LEU 627.A N THR 623.A O no hydrogen 3.213 N/A ASP 628.A N LEU 624.A O no hydrogen 2.869 N/A ALA 629.A N ALA 625.A O no hydrogen 2.812 N/A ALA 630.A N LEU 627.A O no hydrogen 3.290 N/A LEU 631.A N ASP 628.A O no hydrogen 3.015 N/A LYS 635.A N THR 632.A OG1 no hydrogen 3.185 N/A LEU 636.A N THR 632.A O no hydrogen 2.874 N/A LEU 637.A N LEU 633.A O no hydrogen 3.006 N/A GLN 646.A N THR 642.A O no hydrogen 3.049 N/A GLU 647.A N GLU 643.A O no hydrogen 2.896 N/A ALA 648.A N ALA 644.A O no hydrogen 2.932 N/A ALA 649.A N ALA 645.A O no hydrogen 2.884 N/A ALA 650.A N GLN 646.A O no hydrogen 2.840 N/A ASP 651.A N GLU 647.A O no hydrogen 2.821 N/A ALA 652.A N ALA 648.A O no hydrogen 2.963 N/A TYR 653.A N ALA 649.A O no hydrogen 3.014 N/A TYR 653.A OH PRO 434.A O no hydrogen 2.671 N/A ARG 654.A N ALA 650.A O no hydrogen 2.843 N/A ARG 654.A NH1 MET 677.A O no hydrogen 3.483 N/A ARG 654.A NH2 ALA 11.A O no hydrogen 2.390 N/A ARG 654.A NH2 MET 677.A O no hydrogen 2.744 N/A SER 655.A N ASP 651.A O no hydrogen 3.090 N/A SER 655.A OG LEU 627.A O no hydrogen 2.810 N/A TRP 656.A N ALA 652.A O no hydrogen 3.277 N/A GLN 657.A N TYR 653.A O no hydrogen 2.738 N/A GLN 657.A NE2 GLN 31.A OE1 no hydrogen 3.011 N/A TRP 658.A N ARG 654.A O no hydrogen 2.845 N/A ALA 659.A N SER 655.A O no hydrogen 3.384 N/A HIS 660.A N TRP 656.A O no hydrogen 2.841 N/A HIS 660.A NE2 HIS 464.A ND1 no hydrogen 2.851 N/A HIS 661.A N GLN 657.A O no hydrogen 2.877 N/A TYR 662.A N TRP 658.A O no hydrogen 3.039 N/A ARG 663.A N ALA 659.A O no hydrogen 3.040 N/A ARG 663.A NH1 ASP 628.A OD1 no hydrogen 3.039 N/A ARG 663.A NH1 ASP 628.A OD2 no hydrogen 2.851 N/A ARG 663.A NH2 ASP 628.A OD2 no hydrogen 2.935 N/A VAL 664.A N HIS 660.A O no hydrogen 2.967 N/A LEU 665.A N HIS 661.A O no hydrogen 3.149 N/A ASN 666.A N LEU 529.A O no hydrogen 2.849 N/A GLY 669.A N ASN 666.A OD1 no hydrogen 2.693 N/A TRP 670.A N ASN 666.A O no hydrogen 2.853 N/A TRP 670.A NE1 LEU 541.A O no hydrogen 3.106 N/A SER 671.A N ASP 667.A O no hydrogen 3.213 N/A ALA 672.A N ALA 668.A O no hydrogen 3.030 N/A SER 673.A N GLY 669.A O no hydrogen 2.822 N/A SER 673.A OG TRP 670.A O no hydrogen 2.614 N/A VAL 674.A N TRP 670.A O no hydrogen 3.173 N/A VAL 674.A N SER 671.A O no hydrogen 3.243 N/A ALA 676.A N ALA 672.A O no hydrogen 3.129 N/A MET 677.A N SER 673.A O no hydrogen 2.840 N/A LEU 678.A N VAL 674.A O no hydrogen 3.125 N/A GLY 679.A N ALA 676.A O no hydrogen 3.088 N/A LEU 680.A N TYR 675.A O no hydrogen 2.777 N/A GLU 691.A N PRO 687.A O no hydrogen 2.902 N/A ALA 692.A N LYS 688.A O no hydrogen 2.963 N/A LEU 693.A N ALA 689.A O no hydrogen 3.220 N/A ALA 694.A N ALA 690.A O no hydrogen 2.641 N/A LEU 695.A N GLU 691.A O no hydrogen 2.782 N/A