Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gwj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 GLU 557.A OE1 no hydrogen 2.941 N/A THR 5.A OG1 VAL 574.A O no hydrogen 3.426 N/A LYS 6.A N VAL 574.A O no hydrogen 2.921 N/A LYS 6.A NZ GLU 580.A OE2 no hydrogen 3.035 N/A VAL 8.A N GLY 572.A O no hydrogen 3.151 N/A PHE 12.A N ASP 9.A OD1 no hydrogen 2.934 N/A VAL 13.A N ASP 9.A O no hydrogen 2.993 N/A GLU 14.A N THR 10.A O no hydrogen 3.097 N/A ARG 15.A N VAL 11.A O no hydrogen 3.049 N/A GLN 16.A N PHE 12.A O no hydrogen 2.794 N/A LYS 17.A N VAL 13.A O no hydrogen 2.985 N/A LYS 18.A N GLU 14.A O no hydrogen 3.172 N/A VAL 19.A N ARG 15.A O no hydrogen 3.009 N/A LEU 20.A N GLN 16.A O no hydrogen 3.094 N/A SER 21.A N LYS 17.A O no hydrogen 3.043 N/A SER 21.A OG LYS 18.A O no hydrogen 2.730 N/A LEU 22.A N VAL 19.A O no hydrogen 3.345 N/A PHE 23.A N LEU 20.A O no hydrogen 2.936 N/A GLN 24.A NE2 LEU 20.A O no hydrogen 3.054 N/A VAL 26.A N ASN 459.A OD1 no hydrogen 3.294 N/A GLN 28.A N ASP 25.A O no hydrogen 2.866 N/A GLN 28.A NE2 ASP 25.A OD1 no hydrogen 3.102 N/A GLN 28.A NE2 ASP 25.A OD2 no hydrogen 2.621 N/A ASN 30.A N TYR 35.A OH no hydrogen 3.030 N/A ASN 30.A ND2 LEU 468.A O no hydrogen 3.077 N/A ASN 30.A ND2 TYR 472.A OH no hydrogen 2.806 N/A ASN 32.A N ASN 30.A OD1 no hydrogen 3.085 N/A ASN 32.A ND2 ASN 30.A OD1 no hydrogen 3.075 N/A ASN 32.A ND2 LEU 468.A O no hydrogen 3.236 N/A ASP 33.A N ASN 30.A O no hydrogen 2.902 N/A TYR 36.A N ASP 33.A O no hydrogen 3.295 N/A LYS 37.A NZ ASP 41.A OD2 no hydrogen 3.137 N/A ILE 38.A N GLU 34.A O no hydrogen 3.422 N/A GLY 39.A N TYR 35.A O no hydrogen 2.839 N/A LYS 40.A N TYR 36.A O no hydrogen 2.832 N/A ASP 41.A N LYS 37.A O no hydrogen 3.119 N/A TYR 42.A N ILE 38.A O no hydrogen 2.960 N/A TYR 42.A OH TYR 51.A OH no hydrogen 2.768 N/A ALA 46.A N ASP 43.A OD1 no hydrogen 2.836 N/A ASN 47.A N ASP 43.A O no hydrogen 3.240 N/A ASN 47.A N ILE 44.A O no hydrogen 2.964 N/A ILE 48.A N GLU 45.A O no hydrogen 3.443 N/A ASN 50.A N ASN 47.A O no hydrogen 2.657 N/A TYR 51.A N ILE 48.A O no hydrogen 3.350 N/A TYR 51.A OH TYR 42.A OH no hydrogen 2.768 N/A TYR 51.A OH SER 105.A OG no hydrogen 2.694 N/A THR 52.A N TYR 95.A O no hydrogen 2.890 N/A THR 52.A OG1 TYR 95.A O no hydrogen 3.531 N/A LYS 54.A NZ ASP 49.A OD2 no hydrogen 2.875 N/A LYS 55.A NZ ASP 59.A OD2 no hydrogen 3.051 N/A VAL 57.A N ASN 53.A O no hydrogen 3.407 N/A GLU 58.A N LYS 54.A O no hydrogen 3.008 N/A ASP 59.A N LYS 55.A O no hydrogen 2.881 N/A PHE 60.A N ALA 56.A O no hydrogen 3.139 N/A LEU 61.A N VAL 57.A O no hydrogen 2.933 N/A LYS 62.A N GLU 58.A O no hydrogen 2.792 N/A MET 63.A N ASP 59.A O no hydrogen 2.999 N/A TYR 64.A N PHE 60.A O no hydrogen 2.635 N/A ARG 65.A N LEU 61.A O no hydrogen 2.919 N/A ARG 65.A NH2 GLU 45.A OE2 no hydrogen 2.903 N/A CYS 66.A N MET 63.A O no hydrogen 3.157 N/A GLY 67.A N TYR 64.A O no hydrogen 2.982 N/A LEU 69.A N GLU 85.A OE1 no hydrogen 2.997 N/A LYS 71.A NZ ARG 110.A O no hydrogen 3.371 N/A LYS 71.A NZ VAL 111.A O no hydrogen 3.413 N/A LYS 71.A NZ LEU 113.A O no hydrogen 2.769 N/A SER 76.A OG ASP 394.A O no hydrogen 2.786 N/A PHE 78.A N SER 76.A OG no hydrogen 3.288 N/A HIS 79.A N SER 76.A O no hydrogen 3.309 N/A HIS 79.A NE2 ASP 394.A OD1 no hydrogen 3.063 N/A LYS 81.A NZ ASP 363.A OD2 no hydrogen 3.090 N/A ARG 83.A N HIS 79.A O no hydrogen 2.831 N/A ARG 83.A NH1 VAL 77.A O no hydrogen 3.037 N/A ARG 83.A NH2 ASP 80.A OD2 no hydrogen 3.087 N/A ASP 84.A N ASP 80.A O no hydrogen 2.874 N/A GLU 85.A N LYS 81.A O no hydrogen 2.985 N/A ALA 86.A N LEU 82.A O no hydrogen 2.892 N/A ILE 87.A N ARG 83.A O no hydrogen 2.772 N/A ALA 88.A N ASP 84.A O no hydrogen 2.934 N/A LEU 89.A N GLU 85.A O no hydrogen 3.009 N/A PHE 90.A N ALA 86.A O no hydrogen 2.804 N/A HIS 91.A N ILE 87.A O no hydrogen 3.048 N/A LEU 92.A N ALA 88.A O no hydrogen 3.112 N/A PHE 93.A N LEU 89.A O no hydrogen 3.020 N/A TYR 94.A N PHE 90.A O no hydrogen 2.641 N/A TYR 95.A N HIS 91.A O no hydrogen 2.850 N/A LYS 97.A N ASN 50.A O no hydrogen 2.773 N/A LYS 97.A NZ ASN 50.A OD1 no hydrogen 2.857 N/A THR 101.A N ASP 98.A OD2 no hydrogen 2.821 N/A THR 101.A OG1 ASP 98.A OD2 no hydrogen 3.001 N/A PHE 102.A N ASP 98.A O no hydrogen 3.107 N/A TYR 103.A N PHE 99.A O no hydrogen 2.821 N/A LYS 104.A N ASP 100.A O no hydrogen 3.080 N/A SER 105.A N THR 101.A O no hydrogen 2.882 N/A SER 105.A OG TYR 51.A OH no hydrogen 2.694 N/A SER 105.A OG THR 101.A O no hydrogen 2.666 N/A ALA 106.A N PHE 102.A O no hydrogen 2.793 N/A ALA 107.A N TYR 103.A O no hydrogen 2.846 N/A PHE 108.A N LYS 104.A O no hydrogen 2.942 N/A ALA 109.A N SER 105.A O no hydrogen 3.063 N/A ARG 110.A N ALA 106.A O no hydrogen 2.794 N/A ARG 110.A NH2 GLN 24.A O no hydrogen 2.817 N/A ARG 110.A NH2 GLN 28.A O no hydrogen 2.907 N/A VAL 111.A N ALA 107.A O no hydrogen 2.972 N/A HIS 112.A N PHE 108.A O no hydrogen 2.967 N/A LEU 113.A N ALA 109.A O no hydrogen 2.847 N/A ASN 114.A ND2 PRO 70.A O no hydrogen 2.978 N/A ASN 114.A ND2 ASN 73.A O no hydrogen 2.932 N/A GLN 117.A N ASN 114.A OD1 no hydrogen 2.838 N/A PHE 118.A N ASN 114.A O no hydrogen 2.835 N/A LEU 119.A N GLN 115.A O no hydrogen 2.935 N/A TYR 120.A N GLY 116.A O no hydrogen 2.953 N/A TYR 120.A OH HIS 220.A NE2 no hydrogen 2.608 N/A ALA 121.A N GLN 117.A O no hydrogen 3.253 N/A TYR 122.A N PHE 118.A O no hydrogen 2.790 N/A TYR 122.A OH VAL 19.A O no hydrogen 2.812 N/A TYR 123.A N LEU 119.A O no hydrogen 2.940 N/A TYR 123.A OH PRO 138.A O no hydrogen 2.662 N/A ILE 124.A N TYR 120.A O no hydrogen 3.258 N/A ALA 125.A N ALA 121.A O no hydrogen 2.911 N/A ILE 126.A N TYR 122.A O no hydrogen 3.048 N/A ILE 127.A N ILE 124.A O no hydrogen 3.083 N/A GLN 128.A N ILE 124.A O no hydrogen 2.929 N/A GLN 128.A NE2 ILE 221.A O no hydrogen 3.063 N/A GLN 128.A NE2 HIS 222.A O no hydrogen 2.907 N/A ARG 129.A N ALA 125.A O no hydrogen 2.797 N/A ARG 129.A NE ASP 131.A OD1 no hydrogen 3.190 N/A ARG 129.A NH1 PHE 93.A O no hydrogen 2.786 N/A ARG 129.A NH1 ALA 96.A O no hydrogen 2.902 N/A ARG 129.A NH2 ALA 96.A O no hydrogen 2.874 N/A ARG 129.A NH2 ASP 131.A OD2 no hydrogen 2.996 N/A THR 132.A N ARG 129.A O no hydrogen 3.462 N/A THR 132.A OG1 ILE 126.A O no hydrogen 2.889 N/A THR 132.A OG1 ARG 129.A O no hydrogen 3.245 N/A TYR 133.A N LYS 130.A O no hydrogen 3.174 N/A ILE 135.A N THR 132.A O no hydrogen 2.917 N/A TYR 141.A OH TYR 453.A OH no hydrogen 3.040 N/A GLU 142.A N ALA 139.A O no hydrogen 2.931 N/A ILE 143.A N ALA 139.A O no hydrogen 3.188 N/A TYR 144.A N PRO 140.A O no hydrogen 2.723 N/A LEU 147.A N TYR 144.A O no hydrogen 2.903 N/A PHE 148.A N PRO 145.A O no hydrogen 3.052 N/A VAL 149.A N PRO 145.A O no hydrogen 3.131 N/A ASN 150.A ND2 ASN 189.A O no hydrogen 3.209 N/A ILE 151.A N LEU 282.A O no hydrogen 2.892 N/A THR 153.A N ASN 150.A O no hydrogen 3.226 N/A THR 154.A N ASN 150.A O no hydrogen 3.296 N/A TYR 155.A N ILE 151.A O no hydrogen 2.742 N/A LYS 156.A N ASP 152.A O no hydrogen 3.259 N/A LYS 156.A NZ TYR 175.A O no hydrogen 2.848 N/A MET 157.A N THR 153.A O no hydrogen 3.063 N/A PHE 158.A N THR 154.A O no hydrogen 2.962 N/A ARG 159.A N TYR 155.A O no hydrogen 2.900 N/A THR 160.A N LYS 156.A O no hydrogen 3.117 N/A THR 160.A OG1 LYS 156.A O no hydrogen 3.001 N/A THR 160.A OG1 TYR 186.A OH no hydrogen 2.650 N/A LYS 161.A N MET 157.A O no hydrogen 3.023 N/A LYS 161.A NZ PHE 462.A O no hydrogen 3.197 N/A LYS 161.A NZ GLU 467.A OE1 no hydrogen 2.756 N/A MET 162.A N PHE 158.A O no hydrogen 2.855 N/A GLN 163.A N ARG 159.A O no hydrogen 2.902 N/A ASN 164.A N LYS 161.A O no hydrogen 3.175 N/A GLY 165.A N THR 160.A O no hydrogen 3.050 N/A ALA 171.A N ASN 168.A O no hydrogen 2.771 N/A ALA 172.A N ASN 168.A O no hydrogen 3.044 N/A VAL 173.A N PRO 169.A O no hydrogen 3.331 N/A GLU 174.A N ALA 171.A O no hydrogen 3.194 N/A TYR 175.A N ALA 172.A O no hydrogen 2.881 N/A GLY 176.A N VAL 173.A O no hydrogen 3.194 N/A ILE 177.A N ALA 172.A O no hydrogen 3.246 N/A VAL 178.A N VAL 185.A O no hydrogen 2.905 N/A LYS 179.A NZ ASP 181.A O no hydrogen 3.324 N/A GLU 180.A N HIS 183.A O no hydrogen 2.888 N/A HIS 183.A N GLU 180.A O no hydrogen 2.782 N/A TYR 184.A N ASN 475.A O no hydrogen 3.167 N/A VAL 185.A N VAL 178.A O no hydrogen 2.776 N/A TYR 186.A N LYS 477.A O no hydrogen 2.868 N/A TYR 186.A OH THR 160.A OG1 no hydrogen 2.650 N/A TYR 187.A N GLY 176.A O no hydrogen 2.913 N/A SER 188.A N ARG 479.A O no hydrogen 2.818 N/A TYR 190.A OH PRO 481.A O no hydrogen 2.917 N/A SER 191.A N GLU 208.A OE1 no hydrogen 2.947 N/A SER 191.A OG GLU 208.A OE1 no hydrogen 3.518 N/A SER 191.A OG GLU 208.A OE2 no hydrogen 2.648 N/A ALA 193.A N TYR 190.A O no hydrogen 3.105 N/A ILE 194.A N SER 191.A O no hydrogen 2.990 N/A THR 195.A N SER 191.A O no hydrogen 2.945 N/A TYR 197.A OH HIS 279.A ND1 no hydrogen 3.270 N/A ASN 198.A ND2 GLY 278.A O no hydrogen 3.142 N/A GLU 200.A N ASN 198.A OD1 no hydrogen 2.655 N/A GLN 201.A N ASN 198.A O no hydrogen 3.082 N/A GLN 201.A NE2 SER 191.A OG no hydrogen 3.060 N/A GLN 201.A NE2 THR 195.A O no hydrogen 2.993 N/A ARG 202.A N GLU 199.A O no hydrogen 3.091 N/A ARG 202.A NH1 ASN 261.A OD1 no hydrogen 2.972 N/A LEU 203.A N GLU 200.A O no hydrogen 3.050 N/A ALA 204.A N GLN 201.A O no hydrogen 2.958 N/A TYR 205.A OH GLU 257.A OE1 no hydrogen 2.396 N/A PHE 206.A N LEU 203.A O no hydrogen 2.860 N/A THR 207.A N LEU 203.A O no hydrogen 3.015 N/A THR 207.A OG1 LEU 203.A O no hydrogen 3.239 N/A GLU 208.A N ALA 204.A O no hydrogen 2.977 N/A ASP 209.A N PHE 206.A O no hydrogen 2.898 N/A LEU 212.A N ASP 209.A OD2 no hydrogen 2.976 N/A ASN 213.A N ASP 209.A O no hydrogen 3.099 N/A ASN 213.A ND2 GLN 397.A O no hydrogen 3.243 N/A ALA 214.A N ILE 210.A O no hydrogen 2.906 N/A TYR 215.A N GLY 211.A O no hydrogen 2.879 N/A TYR 216.A N LEU 212.A O no hydrogen 3.328 N/A TYR 216.A N ASN 213.A O no hydrogen 3.240 N/A TYR 216.A OH TYR 247.A OH no hydrogen 2.814 N/A PHE 217.A N ASN 213.A O no hydrogen 3.246 N/A PHE 218.A N ALA 214.A O no hydrogen 2.866 N/A PHE 219.A N TYR 215.A O no hydrogen 3.233 N/A HIS 220.A N TYR 216.A O no hydrogen 3.098 N/A HIS 220.A NE2 TYR 120.A OH no hydrogen 2.608 N/A ILE 221.A N PHE 217.A O no hydrogen 3.049 N/A HIS 222.A N PHE 218.A O no hydrogen 2.915 N/A LEU 223.A N HIS 220.A O no hydrogen 3.080 N/A TRP 226.A NE1 TYR 120.A OH no hydrogen 2.738 N/A TRP 227.A N PRO 224.A O no hydrogen 3.189 N/A TRP 227.A NE1 GLU 359.A OE2 no hydrogen 3.172 N/A THR 228.A N GLU 359.A O no hydrogen 2.892 N/A THR 228.A OG1 ASP 354.A OD2 no hydrogen 2.612 N/A ALA 229.A N ASP 354.A OD1 no hydrogen 3.012 N/A ALA 229.A N ASP 354.A OD2 no hydrogen 3.391 N/A GLU 230.A N THR 228.A OG1 no hydrogen 3.132 N/A LYS 231.A NZ GLN 128.A O no hydrogen 2.919 N/A TYR 232.A N ALA 229.A O no hydrogen 2.834 N/A TYR 232.A OH GLN 128.A OE1 no hydrogen 2.789 N/A GLY 233.A N GLU 230.A O no hydrogen 2.971 N/A LEU 235.A N TYR 232.A O no hydrogen 3.139 N/A LYS 236.A N GLY 233.A O no hydrogen 3.375 N/A LYS 236.A NZ GLU 230.A OE1 no hydrogen 2.909 N/A ARG 238.A N ASN 234.A O no hydrogen 3.293 N/A ARG 238.A N LEU 235.A O no hydrogen 2.929 N/A ARG 238.A NH1 ASN 627.A O no hydrogen 3.448 N/A ARG 238.A NH2 LYS 628.A O no hydrogen 3.360 N/A ARG 239.A N LYS 236.A O no hydrogen 3.260 N/A ARG 239.A NH1 TRP 227.A O no hydrogen 2.889 N/A ARG 239.A NH1 ASP 354.A OD1 no hydrogen 2.705 N/A ARG 239.A NH2 PRO 224.A O no hydrogen 3.026 N/A ARG 239.A NH2 TRP 227.A O no hydrogen 3.083 N/A GLY 240.A N SER 343.A OG no hydrogen 3.323 N/A GLU 241.A N ARG 238.A O no hydrogen 3.024 N/A MET 242.A N ARG 238.A O no hydrogen 3.177 N/A TYR 243.A N ARG 239.A O no hydrogen 2.979 N/A TYR 243.A OH GLU 369.A OE1 no hydrogen 2.679 N/A HIS 244.A N GLY 240.A O no hydrogen 3.170 N/A TYR 245.A N GLU 241.A O no hydrogen 3.036 N/A TYR 245.A OH GLU 530.A OE2 no hydrogen 2.931 N/A PHE 246.A N MET 242.A O no hydrogen 2.817 N/A TYR 247.A N TYR 243.A O no hydrogen 3.175 N/A TYR 247.A OH TYR 216.A OH no hydrogen 2.814 N/A ASP 248.A N HIS 244.A O no hydrogen 2.782 N/A GLN 249.A N TYR 245.A O no hydrogen 3.012 N/A LEU 250.A N PHE 246.A O no hydrogen 2.983 N/A LEU 251.A N TYR 247.A O no hydrogen 2.723 N/A THR 252.A N ASP 248.A O no hydrogen 2.801 N/A THR 252.A OG1 ASP 248.A O no hydrogen 2.833 N/A THR 252.A OG1 ASP 248.A OD2 no hydrogen 3.523 N/A THR 252.A OG1 MET 526.A O no hydrogen 3.051 N/A ARG 253.A N GLN 249.A O no hydrogen 2.931 N/A ARG 253.A NE LEU 589.A O no hydrogen 2.954 N/A ARG 253.A NH1 ARG 253.A O no hydrogen 2.805 N/A ARG 253.A NH1 GLU 257.A OE2 no hydrogen 2.852 N/A ARG 253.A NH2 GLU 257.A OE2 no hydrogen 3.106 N/A ARG 253.A NH2 LEU 589.A O no hydrogen 2.754 N/A TYR 254.A N LEU 250.A O no hydrogen 2.887 N/A TYR 255.A N LEU 251.A O no hydrogen 2.872 N/A PHE 256.A N THR 252.A O no hydrogen 3.002 N/A GLU 257.A N ARG 253.A O no hydrogen 3.353 N/A ARG 258.A N TYR 254.A O no hydrogen 2.984 N/A ARG 258.A NE LEU 263.A O no hydrogen 3.199 N/A ARG 258.A NE GLY 264.A O no hydrogen 2.790 N/A ARG 258.A NH1 GLU 200.A OE1 no hydrogen 3.477 N/A ARG 258.A NH1 GLU 200.A OE2 no hydrogen 2.757 N/A ARG 258.A NH2 GLU 200.A OE1 no hydrogen 2.862 N/A ARG 258.A NH2 LEU 263.A O no hydrogen 2.965 N/A LEU 259.A N TYR 255.A O no hydrogen 2.816 N/A THR 260.A N PHE 256.A O no hydrogen 3.156 N/A THR 260.A OG1 GLU 257.A O no hydrogen 3.427 N/A THR 260.A OG1 ARG 593.A O no hydrogen 2.862 N/A ASN 261.A N ARG 258.A O no hydrogen 3.095 N/A ASN 261.A ND2 TYR 205.A OH no hydrogen 2.827 N/A ASN 261.A ND2 GLU 257.A O no hydrogen 2.779 N/A GLY 262.A N LEU 259.A O no hydrogen 2.809 N/A LEU 263.A N ARG 258.A O no hydrogen 2.790 N/A THR 265.A N GLU 514.A OE1 no hydrogen 3.409 N/A THR 265.A OG1 GLU 514.A OE1 no hydrogen 3.529 N/A THR 265.A OG1 GLU 514.A OE2 no hydrogen 3.551 N/A TRP 271.A NE1 GLU 315.A OE1 no hydrogen 2.806 N/A TYR 272.A N SER 270.A OG no hydrogen 2.911 N/A SER 273.A N SER 270.A O no hydrogen 3.476 N/A VAL 275.A N TYR 297.A O no hydrogen 2.912 N/A HIS 279.A N ARG 293.A O no hydrogen 2.732 N/A TYR 280.A N TYR 197.A OH no hydrogen 3.226 N/A THR 284.A OG1 SER 285.A O no hydrogen 3.137 N/A THR 284.A OG1 THR 288.A O no hydrogen 3.261 N/A SER 285.A N THR 288.A O no hydrogen 2.872 N/A SER 285.A OG THR 288.A O no hydrogen 2.884 N/A TYR 286.A OH ASP 27.A OD1 no hydrogen 2.604 N/A TYR 287.A N SER 285.A OG no hydrogen 3.200 N/A THR 288.A N SER 285.A OG no hydrogen 2.910 N/A THR 288.A OG1 PRO 289.A O no hydrogen 3.192 N/A PHE 290.A N LEU 283.A O no hydrogen 3.264 N/A SER 291.A N PRO 390.A O no hydrogen 2.772 N/A SER 291.A OG GLY 377.A O no hydrogen 3.028 N/A ARG 293.A N HIS 279.A O no hydrogen 2.987 N/A ARG 293.A NE LEU 376.A O no hydrogen 2.968 N/A ARG 293.A NH1 ASP 402.A OD1 no hydrogen 3.472 N/A ARG 293.A NH2 LEU 376.A O no hydrogen 3.474 N/A ARG 293.A NH2 ASP 402.A OD1 no hydrogen 2.623 N/A ASN 295.A ND2 LYS 276.A O no hydrogen 3.567 N/A PHE 296.A N LYS 276.A O no hydrogen 2.947 N/A TYR 297.A N VAL 275.A O no hydrogen 2.952 N/A SER 301.A N VAL 299.A O no hydrogen 2.900 N/A ASN 304.A N SER 301.A O no hydrogen 2.844 N/A ASN 304.A ND2 VAL 299.A O no hydrogen 2.995 N/A ILE 308.A N ASN 304.A O no hydrogen 2.844 N/A ARG 309.A N TYR 305.A O no hydrogen 3.110 N/A PHE 310.A N GLU 306.A O no hydrogen 3.047 N/A LEU 311.A N LYS 307.A O no hydrogen 2.954 N/A ASP 312.A N ILE 308.A O no hydrogen 2.739 N/A ALA 313.A N ARG 309.A O no hydrogen 2.806 N/A TYR 314.A N PHE 310.A O no hydrogen 2.819 N/A TYR 314.A OH TYR 348.A O no hydrogen 2.620 N/A GLU 315.A N LEU 311.A O no hydrogen 3.158 N/A ASN 316.A N ASP 312.A O no hydrogen 2.832 N/A TYR 317.A N ALA 313.A O no hydrogen 3.023 N/A TYR 317.A OH GLU 328.A O no hydrogen 2.589 N/A VAL 319.A N GLU 315.A O no hydrogen 2.997 N/A GLN 320.A N ASN 316.A O no hydrogen 2.769 N/A ALA 321.A N TYR 317.A O no hydrogen 2.886 N/A LEU 322.A N PHE 318.A O no hydrogen 2.987 N/A GLN 323.A N VAL 319.A O no hydrogen 3.058 N/A LYS 324.A N GLN 320.A O no hydrogen 2.885 N/A LYS 324.A NZ GLU 328.A OE1 no hydrogen 2.701 N/A VAL 326.A N ALA 321.A O no hydrogen 3.144 N/A PHE 327.A N ILE 334.A O no hydrogen 2.703 N/A ILE 334.A N PHE 327.A O no hydrogen 3.221 N/A ASP 338.A N TYR 335.A O no hydrogen 3.164 N/A LYS 340.A N ASP 338.A OD2 no hydrogen 2.662 N/A ALA 341.A N ASP 338.A O no hydrogen 3.057 N/A SER 343.A OG GLU 237.A O no hydrogen 2.622 N/A PHE 344.A N LYS 340.A O no hydrogen 3.143 N/A VAL 345.A N ALA 341.A O no hydrogen 3.060 N/A GLY 346.A N ASN 342.A O no hydrogen 3.331 N/A ASN 347.A N SER 343.A O no hydrogen 2.866 N/A TYR 348.A N PHE 344.A O no hydrogen 2.601 N/A TYR 348.A OH TYR 314.A O no hydrogen 2.618 N/A TRP 349.A N VAL 345.A O no hydrogen 2.952 N/A GLN 350.A N GLY 346.A O no hydrogen 3.173 N/A ASP 351.A N TYR 348.A O no hydrogen 3.030 N/A ASN 352.A N ASN 347.A O no hydrogen 3.236 N/A ASN 352.A ND2 ASN 347.A OD1 no hydrogen 3.045 N/A ASN 352.A ND2 GLN 350.A OE1 no hydrogen 2.915 N/A ALA 353.A N PHE 225.A O no hydrogen 3.255 N/A LEU 355.A N ASN 352.A O no hydrogen 3.102 N/A LEU 355.A N ASN 352.A OD1 no hydrogen 3.061 N/A TYR 356.A N ALA 353.A O no hydrogen 3.013 N/A TYR 356.A OH ASP 351.A OD1 no hydrogen 2.554 N/A GLY 357.A N ASP 354.A O no hydrogen 3.305 N/A GLU 358.A N ALA 353.A O no hydrogen 3.312 N/A THR 361.A N TRP 226.A O no hydrogen 3.046 N/A LYS 362.A N GLN 365.A OE1 no hydrogen 2.908 N/A LYS 362.A NZ VAL 360.A O no hydrogen 2.962 N/A GLN 365.A N LYS 362.A O no hydrogen 3.190 N/A GLN 365.A NE2 GLU 358.A OE1 no hydrogen 3.204 N/A ARG 366.A N TYR 364.A O no hydrogen 2.897 N/A ARG 366.A NH1 GLU 306.A OE1 no hydrogen 3.432 N/A ARG 366.A NH1 GLU 306.A OE2 no hydrogen 2.691 N/A TYR 368.A OH GLU 315.A OE1 no hydrogen 2.580 N/A ILE 370.A N SER 367.A OG no hydrogen 3.005 N/A VAL 371.A N SER 367.A O no hydrogen 3.069 N/A ALA 372.A N TYR 368.A O no hydrogen 2.797 N/A ARG 373.A N GLU 369.A O no hydrogen 2.846 N/A ARG 373.A NE LEU 393.A O no hydrogen 3.016 N/A ARG 373.A NH2 SER 399.A OG no hydrogen 2.652 N/A GLN 374.A N ILE 370.A O no hydrogen 3.087 N/A VAL 375.A N VAL 371.A O no hydrogen 3.022 N/A LEU 376.A N ALA 372.A O no hydrogen 2.887 N/A GLY 377.A N ARG 373.A O no hydrogen 2.778 N/A ALA 378.A N VAL 375.A O no hydrogen 3.330 N/A ASP 384.A N THR 387.A O no hydrogen 3.278 N/A TYR 386.A N ASP 384.A OD2 no hydrogen 2.680 N/A TYR 386.A OH GLU 85.A OE2 no hydrogen 2.789 N/A THR 387.A N ASP 384.A O no hydrogen 3.035 N/A THR 387.A N ASP 384.A OD2 no hydrogen 2.810 N/A THR 387.A OG1 ASP 384.A OD2 no hydrogen 3.485 N/A SER 391.A N ASP 394.A OD2 no hydrogen 2.866 N/A SER 391.A OG ASP 394.A OD2 no hydrogen 3.480 N/A LEU 393.A N SER 391.A OG no hydrogen 3.177 N/A ASP 394.A N SER 391.A O no hydrogen 3.134 N/A GLN 397.A N GLN 397.A OE1 no hydrogen 2.762 N/A THR 398.A N PHE 395.A O no hydrogen 3.204 N/A THR 398.A OG1 ALA 392.A O no hydrogen 2.664 N/A THR 398.A OG1 PHE 395.A O no hydrogen 3.506 N/A SER 399.A N PHE 395.A O no hydrogen 2.995 N/A SER 399.A OG PHE 395.A O no hydrogen 2.802 N/A ARG 401.A N THR 398.A O no hydrogen 3.045 N/A ARG 401.A NH1 ASN 150.A OD1 no hydrogen 3.052 N/A ASP 402.A N SER 399.A O no hydrogen 3.056 N/A THR 404.A N ASP 402.A OD1 no hydrogen 2.829 N/A THR 404.A OG1 ASP 402.A OD1 no hydrogen 2.754 N/A PHE 405.A N ASP 402.A O no hydrogen 2.899 N/A TYR 406.A OH LEU 400.A O no hydrogen 2.613 N/A GLN 407.A N PRO 403.A O no hydrogen 3.248 N/A GLN 407.A NE2 THR 277.A OG1 no hydrogen 2.687 N/A LEU 408.A N THR 404.A O no hydrogen 2.828 N/A TYR 409.A N PHE 405.A O no hydrogen 3.151 N/A TYR 409.A OH GLU 369.A OE2 no hydrogen 2.656 N/A ASN 410.A N TYR 406.A O no hydrogen 2.740 N/A ARG 411.A N GLN 407.A O no hydrogen 3.074 N/A ARG 411.A NE GLU 315.A OE1 no hydrogen 2.917 N/A ARG 411.A NH1 GLU 315.A OE1 no hydrogen 3.094 N/A ARG 411.A NH1 GLU 315.A OE2 no hydrogen 3.081 N/A ARG 411.A NH2 PHE 269.A O no hydrogen 2.978 N/A ILE 412.A N LEU 408.A O no hydrogen 3.019 N/A ILE 413.A N TYR 409.A O no hydrogen 2.829 N/A GLY 414.A N ASN 410.A O no hydrogen 2.884 N/A TYR 415.A N ARG 411.A O no hydrogen 3.243 N/A PHE 416.A N ILE 412.A O no hydrogen 3.083 N/A ASN 417.A N ILE 413.A O no hydrogen 2.677 N/A GLN 418.A N GLY 414.A O no hydrogen 3.020 N/A PHE 419.A N TYR 415.A O no hydrogen 2.938 N/A LYS 420.A N PHE 416.A O no hydrogen 3.080 N/A LYS 420.A NZ ASN 342.A OD1 no hydrogen 2.834 N/A GLN 421.A N GLN 418.A O no hydrogen 2.934 N/A TYR 422.A N PHE 419.A O no hydrogen 2.986 N/A LEU 423.A N LYS 420.A O no hydrogen 3.415 N/A LYS 430.A N SER 427.A OG no hydrogen 3.204 N/A LEU 431.A N SER 427.A O no hydrogen 3.401 N/A HIS 432.A N GLN 428.A O no hydrogen 3.044 N/A HIS 432.A N GLU 429.A O no hydrogen 3.128 N/A PHE 433.A N ASN 647.A OD1 no hydrogen 3.043 N/A VAL 436.A N PHE 433.A O no hydrogen 2.949 N/A VAL 438.A N PRO 646.A O no hydrogen 2.865 N/A ASN 439.A N ASP 493.A O no hydrogen 2.803 N/A ASN 439.A ND2 ASP 493.A OD1 no hydrogen 3.176 N/A ASN 440.A N ASP 493.A O no hydrogen 3.500 N/A VAL 442.A N ASN 491.A O no hydrogen 2.977 N/A ASP 444.A N ASN 489.A O no hydrogen 2.988 N/A THR 448.A N TYR 656.A O no hydrogen 2.820 N/A THR 448.A OG1 TYR 656.A O no hydrogen 3.317 N/A PHE 449.A N ASN 484.A O no hydrogen 2.794 N/A GLU 451.A N ARG 482.A O no hydrogen 3.040 N/A TYR 452.A OH TYR 666.A O no hydrogen 2.591 N/A TYR 453.A N GLN 480.A O no hydrogen 2.880 N/A TYR 453.A OH TYR 141.A OH no hydrogen 3.040 N/A TYR 453.A OH SER 559.A O no hydrogen 3.095 N/A PHE 455.A N VAL 478.A O no hydrogen 3.049 N/A ALA 457.A N LEU 476.A O no hydrogen 3.239 N/A THR 458.A N ASP 456.A OD1 no hydrogen 2.815 N/A THR 458.A OG1 ASP 456.A OD1 no hydrogen 2.528 N/A THR 458.A OG1 LEU 476.A O no hydrogen 3.527 N/A ASN 459.A ND2 GLU 142.A O no hydrogen 2.665 N/A THR 460.A N ALA 457.A O no hydrogen 2.983 N/A THR 460.A OG1 ALA 457.A O no hydrogen 2.718 N/A VAL 461.A N THR 458.A O no hydrogen 3.021 N/A THR 464.A N GLU 467.A OE1 no hydrogen 2.557 N/A LEU 468.A N THR 464.A O no hydrogen 2.851 N/A LYS 469.A N GLU 466.A O no hydrogen 2.979 N/A THR 470.A N GLU 467.A O no hydrogen 3.323 N/A TYR 472.A OH ASP 33.A OD2 no hydrogen 2.552 N/A HIS 474.A NE2 GLN 24.A OE1 no hydrogen 2.851 N/A LEU 476.A N THR 458.A OG1 no hydrogen 3.042 N/A LYS 477.A N TYR 184.A O no hydrogen 2.935 N/A VAL 478.A N PHE 455.A O no hydrogen 2.939 N/A ARG 479.A N TYR 186.A O no hydrogen 2.893 N/A ARG 479.A NE ASP 454.A OD1 no hydrogen 2.693 N/A ARG 479.A NE ASP 454.A OD2 no hydrogen 3.504 N/A ARG 479.A NH1 GLU 180.A OE2 no hydrogen 2.995 N/A ARG 479.A NH1 TYR 187.A OH no hydrogen 2.918 N/A ARG 479.A NH2 GLU 180.A OE1 no hydrogen 3.220 N/A ARG 479.A NH2 GLU 180.A OE2 no hydrogen 3.447 N/A ARG 479.A NH2 ASP 454.A OD2 no hydrogen 3.028 N/A GLN 480.A N TYR 453.A O no hydrogen 3.025 N/A ARG 482.A N GLU 451.A O no hydrogen 2.850 N/A ARG 482.A NH1 ASP 209.A OD1 no hydrogen 3.193 N/A ARG 482.A NH1 ASP 209.A OD2 no hydrogen 2.871 N/A ASN 484.A N PHE 449.A O no hydrogen 2.854 N/A GLN 486.A N VAL 447.A O no hydrogen 2.964 N/A PHE 488.A N SER 549.A OG no hydrogen 3.029 N/A ASN 489.A N ASP 444.A OD2 no hydrogen 2.681 N/A ILE 490.A N ARG 547.A O no hydrogen 2.861 N/A ASN 491.A N VAL 442.A O no hydrogen 2.857 N/A ILE 492.A N ILE 545.A O no hydrogen 2.874 N/A ASP 493.A N ASN 440.A O no hydrogen 2.885 N/A ILE 494.A N ASN 543.A O no hydrogen 2.933 N/A LYS 495.A N LYS 437.A O no hydrogen 2.782 N/A LYS 495.A NZ GLN 542.A OE1 no hydrogen 2.856 N/A ALA 496.A N GLY 541.A O no hydrogen 2.908 N/A ASP 497.A N GLY 435.A O no hydrogen 3.041 N/A THR 500.A N ILE 538.A O no hydrogen 3.080 N/A ALA 502.A N HIS 536.A O no hydrogen 2.907 N/A VAL 503.A N TYR 608.A O no hydrogen 2.704 N/A VAL 504.A N PHE 534.A O no hydrogen 2.829 N/A LYS 505.A N PHE 606.A O no hydrogen 2.706 N/A LYS 505.A NZ GLU 530.A OE1 no hydrogen 2.852 N/A LYS 505.A NZ TYR 632.A O no hydrogen 2.753 N/A ILE 506.A N ASP 532.A O no hydrogen 3.122 N/A PHE 507.A N VAL 604.A O no hydrogen 2.802 N/A MET 508.A N PHE 529.A O no hydrogen 2.871 N/A GLY 509.A N GLN 602.A O no hydrogen 2.780 N/A LYS 511.A NZ ASP 652.A OD1 no hydrogen 2.854 N/A LYS 511.A NZ ASP 652.A OD2 no hydrogen 3.519 N/A ASN 513.A N PHE 517.A O no hydrogen 2.648 N/A ASN 515.A N ASN 513.A OD1 no hydrogen 2.706 N/A GLY 516.A N ASN 513.A O no hydrogen 2.941 N/A PHE 517.A N ASN 513.A OD1 no hydrogen 3.078 N/A ILE 519.A N LYS 511.A O no hydrogen 3.113 N/A THR 520.A N ASP 524.A OD1 no hydrogen 3.042 N/A ASN 523.A N THR 520.A O no hydrogen 3.119 N/A ASP 524.A N THR 520.A O no hydrogen 2.691 N/A LYS 527.A N ASP 524.A O no hydrogen 3.040 N/A LYS 527.A NZ ASP 524.A OD2 no hydrogen 3.068 N/A PHE 529.A N MET 508.A O no hydrogen 2.725 N/A MET 531.A N ILE 506.A O no hydrogen 2.724 N/A ASP 532.A N ILE 506.A O no hydrogen 3.198 N/A TRP 533.A N ASP 532.A OD1 no hydrogen 2.860 N/A PHE 534.A N VAL 504.A O no hydrogen 3.063 N/A HIS 536.A N ALA 502.A O no hydrogen 2.743 N/A LYS 537.A NZ ASP 501.A OD1 no hydrogen 2.922 N/A ILE 538.A N THR 500.A O no hydrogen 2.810 N/A GLY 541.A N ALA 496.A O no hydrogen 2.793 N/A GLN 542.A NE2 ASP 493.A OD1 no hydrogen 2.759 N/A GLN 542.A NE2 ASN 543.A O no hydrogen 2.778 N/A ASN 543.A N ILE 494.A O no hydrogen 2.803 N/A ASN 543.A ND2 THR 539.A O no hydrogen 3.245 N/A ILE 545.A N ILE 492.A O no hydrogen 2.953 N/A ARG 547.A N ILE 490.A O no hydrogen 3.141 N/A ARG 547.A NH2 ASP 532.A OD1 no hydrogen 3.284 N/A ASN 548.A ND2 ASN 489.A OD1 no hydrogen 3.087 N/A SER 549.A N PHE 488.A O no hydrogen 2.816 N/A ASN 550.A N ASN 548.A OD1 no hydrogen 2.904 N/A GLU 551.A N ASN 548.A O no hydrogen 2.739 N/A PHE 552.A N SER 549.A O no hydrogen 3.157 N/A VAL 553.A N ASP 532.A OD1 no hydrogen 3.312 N/A PHE 555.A N PHE 552.A O no hydrogen 3.481 N/A LYS 556.A N LEU 585.A O no hydrogen 3.109 N/A LYS 556.A NZ PHE 582.A O no hydrogen 3.065 N/A GLU 557.A N ASP 577.A OD2 no hydrogen 3.203 N/A SER 562.A N GLU 142.A OE2 no hydrogen 2.801 N/A SER 562.A OG GLU 142.A OE1 no hydrogen 2.699 N/A THR 563.A OG1 GLU 564.A OE1 no hydrogen 3.504 N/A GLU 564.A N PRO 561.A O no hydrogen 2.887 N/A LEU 565.A N PRO 561.A O no hydrogen 3.207 N/A TYR 566.A N SER 562.A O no hydrogen 3.172 N/A LYS 567.A N THR 563.A O no hydrogen 3.493 N/A LYS 567.A NZ GLU 564.A OE1 no hydrogen 3.200 N/A LEU 568.A N GLU 564.A O no hydrogen 3.290 N/A LEU 569.A N LEU 565.A O no hydrogen 3.026 N/A GLU 570.A N TYR 566.A O no hydrogen 3.216 N/A GLU 570.A N LYS 567.A O no hydrogen 3.074 N/A LYS 571.A N LEU 568.A O no hydrogen 3.216 N/A GLY 572.A N LEU 569.A O no hydrogen 2.939 N/A LYS 573.A N LEU 568.A O no hydrogen 2.983 N/A LYS 573.A NZ ASP 7.A OD1 no hydrogen 2.937 N/A VAL 574.A N LYS 6.A O no hydrogen 3.003 N/A PHE 576.A N LYS 4.A O no hydrogen 3.192 N/A SER 579.A N PRO 575.A O no hydrogen 3.177 N/A SER 579.A N PHE 576.A O no hydrogen 3.289 N/A SER 579.A OG GLY 134.A O no hydrogen 2.652 N/A GLU 580.A N PHE 576.A O no hydrogen 3.048 N/A ASP 581.A N ASP 577.A O no hydrogen 2.777 N/A TYR 584.A N ASP 581.A O no hydrogen 3.102 N/A LYS 587.A N LYS 556.A O no hydrogen 2.831 N/A LYS 587.A NZ ASN 550.A O no hydrogen 3.173 N/A LYS 587.A NZ ASN 550.A OD1 no hydrogen 3.497 N/A LYS 587.A NZ GLU 557.A OE2 no hydrogen 2.836 N/A ARG 588.A NE ASP 558.A OD1 no hydrogen 3.405 N/A ARG 588.A NE ASP 558.A OD2 no hydrogen 3.388 N/A ARG 588.A NH1 LEU 483.A O no hydrogen 3.100 N/A ARG 588.A NH2 GLU 451.A OE2 no hydrogen 3.417 N/A ARG 588.A NH2 ASP 558.A OD2 no hydrogen 3.347 N/A LEU 589.A N PRO 586.A O no hydrogen 3.004 N/A MET 590.A N LYS 587.A O no hydrogen 3.049 N/A ARG 593.A N GLU 257.A OE1 no hydrogen 3.032 N/A ARG 593.A NH2 ASN 261.A OD1 no hydrogen 2.794 N/A GLY 594.A N THR 448.A OG1 no hydrogen 2.884 N/A THR 595.A N VAL 655.A O no hydrogen 3.312 N/A GLY 598.A N THR 595.A O no hydrogen 2.911 N/A PHE 599.A N VAL 655.A O no hydrogen 2.909 N/A PHE 601.A N VAL 653.A O no hydrogen 2.782 N/A GLN 602.A N GLY 509.A O no hydrogen 2.830 N/A GLN 602.A NE2 PRO 510.A O no hydrogen 2.742 N/A PHE 603.A N ARG 651.A O no hydrogen 2.886 N/A VAL 604.A N PHE 507.A O no hydrogen 2.807 N/A VAL 605.A N PHE 649.A O no hydrogen 2.977 N/A PHE 606.A N LYS 505.A O no hydrogen 2.882 N/A VAL 607.A N ASN 647.A O no hydrogen 3.156 N/A TYR 608.A N VAL 503.A O no hydrogen 2.865 N/A TYR 608.A OH ASP 626.A OD1 no hydrogen 2.825 N/A PHE 610.A N ASP 501.A O no hydrogen 2.968 N/A THR 613.A OG1 GLU 611.A O no hydrogen 3.519 N/A THR 613.A OG1 ILE 625.A O no hydrogen 3.021 N/A ASN 616.A ND2 THR 618.A OG1 no hydrogen 2.516 N/A LEU 617.A N MET 624.A O no hydrogen 3.171 N/A TYR 620.A N LEU 617.A O no hydrogen 2.994 N/A GLU 621.A N LEU 617.A O no hydrogen 3.163 N/A LYS 622.A NZ TYR 133.A OH no hydrogen 3.321 N/A LYS 622.A NZ GLU 580.A O no hydrogen 3.100 N/A PHE 623.A N TYR 584.A OH no hydrogen 3.277 N/A MET 624.A N GLU 621.A O no hydrogen 3.246 N/A LYS 628.A NZ GLU 611.A OE2 no hydrogen 3.265 N/A LEU 630.A N GLU 241.A OE2 no hydrogen 2.746 N/A TYR 632.A N PRO 629.A O no hydrogen 2.956 N/A PHE 634.A N GLY 631.A O no hydrogen 2.770 N/A ARG 636.A NH1 HIS 426.A NE2 no hydrogen 3.327 N/A ASP 639.A N HIS 426.A O no hydrogen 2.959 N/A PHE 643.A N SER 641.A OG no hydrogen 3.338 N/A LYS 644.A NZ GLN 645.A O no hydrogen 2.636 N/A LYS 644.A NZ ILE 648.A O no hydrogen 2.835 N/A ASN 647.A ND2 LEU 431.A O no hydrogen 2.758 N/A ASN 647.A ND2 VAL 607.A O no hydrogen 3.022 N/A PHE 649.A N VAL 605.A O no hydrogen 2.990 N/A ARG 651.A N PHE 603.A O no hydrogen 2.804 N/A ARG 651.A NE VAL 441.A O no hydrogen 2.895 N/A ARG 651.A NH2 ASN 440.A OD1 no hydrogen 2.709 N/A ARG 651.A NH2 VAL 441.A O no hydrogen 3.285 N/A VAL 653.A N PHE 601.A O no hydrogen 2.824 N/A VAL 655.A N PHE 599.A O no hydrogen 2.831 N/A TYR 656.A N LEU 446.A O no hydrogen 2.859 N/A HIS 657.A N THR 595.A O no hydrogen 3.235 N/A GLU 658.A N THR 448.A O no hydrogen 2.806 N/A GLU 660.A N TYR 666.A OH no hydrogen 3.098 N/A TYR 661.A OH ASN 261.A OD1 no hydrogen 3.306 N/A GLU 665.A N HIS 662.A O no hydrogen 3.323 N/A TYR 666.A N ALA 663.A O no hydrogen 3.175 N/A ASN 667.A N TYR 664.A O no hydrogen 2.777 N/A ASN 667.A ND2 ASN 189.A OD1 no hydrogen 2.679 N/A VAL 668.A N GLU 665.A O no hydrogen 3.317 N/A TYR 671.A N VAL 668.A O no hydrogen 2.765 N/A PHE 672.A N VAL 668.A O no hydrogen 3.102 N/A SER 673.A N PRO 669.A O no hydrogen 2.969 N/A SER 673.A OG PRO 669.A O no hydrogen 3.051 N/A HIS 674.A N TYR 671.A O no hydrogen 3.038 N/A