Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4j3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N VAL 45.A O no hydrogen 3.065 N/A ALA 6.A N TYR 95.A OH no hydrogen 2.741 N/A ASN 7.A N ARG 40.A O no hydrogen 3.300 N/A ASN 7.A ND2 ASP 41.A OD1 no hydrogen 2.620 N/A ASP 8.A N ASP 41.A O no hydrogen 3.186 N/A ALA 9.A N ALA 6.A O no hydrogen 2.842 N/A GLY 10.A N SER 14.A OG no hydrogen 3.109 N/A GLY 11.A N ASP 8.A O no hydrogen 3.036 N/A SER 14.A N GLY 11.A O no hydrogen 3.346 N/A SER 14.A OG GLY 11.A O no hydrogen 2.862 N/A SER 14.A OG LEU 93.A O no hydrogen 3.301 N/A SER 14.A OG ARG 94.A O no hydrogen 3.562 N/A GLU 16.A N HIS 13.A O no hydrogen 2.974 N/A CYS 17.A N SER 14.A O no hydrogen 2.543 N/A CYS 17.A SG HIS 13.A O no hydrogen 3.556 N/A CYS 17.A SG ASP 41.A O no hydrogen 3.943 N/A THR 18.A N ARG 42.A O no hydrogen 2.879 N/A LEU 19.A N LYS 97.A O no hydrogen 2.845 N/A ILE 20.A N GLY 44.A O no hydrogen 2.767 N/A LEU 21.A N MET 99.A O no hydrogen 2.930 N/A THR 22.A N PHE 46.A O no hydrogen 2.907 N/A THR 22.A OG1 GLY 24.A O no hydrogen 3.125 N/A THR 22.A OG1 PHE 46.A O no hydrogen 3.509 N/A GLU 23.A N MET 101.A O no hydrogen 3.001 N/A GLY 24.A N LEU 48.A O no hydrogen 2.771 N/A LYS 28.A N GLY 24.A O no hydrogen 3.269 N/A SER 29.A N ASP 25.A O no hydrogen 3.052 N/A SER 29.A OG ASP 25.A O no hydrogen 3.488 N/A LEU 30.A N SER 26.A O no hydrogen 3.279 N/A ALA 31.A N ALA 27.A O no hydrogen 3.030 N/A ALA 31.A N LYS 28.A O no hydrogen 2.874 N/A VAL 32.A N LYS 28.A O no hydrogen 2.880 N/A SER 33.A N SER 29.A O no hydrogen 2.766 N/A GLY 34.A N LEU 30.A O no hydrogen 3.131 N/A LEU 35.A N VAL 32.A O no hydrogen 3.244 N/A GLY 36.A N VAL 32.A O no hydrogen 3.229 N/A GLY 39.A N LEU 35.A O no hydrogen 3.207 N/A ARG 40.A N VAL 37.A O no hydrogen 3.200 N/A ARG 40.A NH1 ASP 5.A O no hydrogen 2.404 N/A ASP 41.A N ILE 38.A O no hydrogen 3.424 N/A GLY 44.A N THR 18.A O no hydrogen 2.866 N/A VAL 45.A N ASP 4.A O no hydrogen 3.219 N/A PHE 46.A N ILE 20.A O no hydrogen 2.894 N/A LEU 48.A N THR 22.A O no hydrogen 2.811 N/A ARG 49.A N GLU 68.A OE1 no hydrogen 2.572 N/A LYS 51.A NZ ASP 107.A OD1 no hydrogen 2.734 N/A LYS 51.A NZ HIS 110.A ND1 no hydrogen 2.873 N/A ASN 54.A ND2 PHE 167.A O no hydrogen 2.996 N/A ARG 56.A N ASN 54.A OD1 no hydrogen 3.125 N/A ARG 56.A NE ASN 117.A OD1 no hydrogen 2.673 N/A ARG 56.A NH2 ASN 117.A OD1 no hydrogen 3.000 N/A ALA 58.A N VAL 55.A O no hydrogen 3.267 N/A GLN 62.A N SER 59.A OG no hydrogen 3.165 N/A ILE 63.A N SER 59.A O no hydrogen 3.003 N/A MET 64.A N HIS 60.A O no hydrogen 2.817 N/A GLU 65.A N LYS 61.A O no hydrogen 2.937 N/A ASN 66.A N ILE 63.A O no hydrogen 3.251 N/A ILE 69.A N ASN 66.A OD1 no hydrogen 2.819 N/A ASN 70.A N ASN 66.A O no hydrogen 3.052 N/A ASN 70.A ND2 MET 64.A O no hydrogen 2.843 N/A ASN 71.A N ALA 67.A O no hydrogen 2.880 N/A ILE 72.A N GLU 68.A O no hydrogen 3.025 N/A ILE 73.A N ILE 69.A O no hydrogen 3.017 N/A LYS 74.A N ASN 70.A O no hydrogen 2.961 N/A ILE 75.A N ASN 71.A O no hydrogen 2.931 N/A VAL 76.A N ILE 72.A O no hydrogen 2.860 N/A GLY 77.A N ILE 73.A O no hydrogen 2.771 N/A LEU 78.A N ILE 73.A O no hydrogen 2.837 N/A LYS 82.A NZ SER 89.A O no hydrogen 3.125 N/A LYS 82.A NZ THR 92.A OG1 no hydrogen 2.738 N/A SER 83.A OG ASP 85.A OD2 no hydrogen 3.309 N/A TYR 84.A N SER 125.A OG no hydrogen 3.095 N/A ASP 86.A N ASP 85.A OD1 no hydrogen 2.772 N/A SER 89.A N ASP 86.A OD1 no hydrogen 2.589 N/A SER 89.A OG ASP 86.A O no hydrogen 3.167 N/A SER 89.A OG ASP 86.A OD1 no hydrogen 2.776 N/A THR 92.A N SER 89.A O no hydrogen 3.230 N/A THR 92.A OG1 SER 89.A O no hydrogen 2.944 N/A ARG 94.A N VAL 76.A O no hydrogen 2.688 N/A ARG 94.A NH1 ASP 5.A OD2 no hydrogen 3.257 N/A ARG 94.A NH1 ILE 75.A O no hydrogen 2.715 N/A ARG 94.A NH2 ASP 5.A OD1 no hydrogen 2.820 N/A TYR 95.A OH ASP 5.A OD2 no hydrogen 2.710 N/A GLY 96.A N CYS 17.A O no hydrogen 2.724 N/A LYS 97.A N CYS 17.A O no hydrogen 3.190 N/A ILE 98.A N PHE 131.A O no hydrogen 3.031 N/A MET 99.A N LEU 19.A O no hydrogen 2.665 N/A ILE 100.A N GLU 133.A O no hydrogen 2.995 N/A MET 101.A N LEU 21.A O no hydrogen 2.746 N/A THR 102.A OG1 ASP 103.A O no hydrogen 2.899 N/A ASP 103.A N GLU 23.A OE1 no hydrogen 2.745 N/A GLN 106.A N GLN 106.A OE1 no hydrogen 2.815 N/A GLY 108.A N ASP 105.A OD1 no hydrogen 2.790 N/A SER 109.A N ASP 105.A O no hydrogen 2.907 N/A SER 109.A OG ASP 105.A O no hydrogen 3.184 N/A SER 109.A OG GLU 206.A OE2 no hydrogen 2.792 N/A HIS 110.A N GLN 106.A O no hydrogen 2.976 N/A ILE 111.A N ASP 107.A O no hydrogen 3.070 N/A LYS 112.A N GLY 108.A O no hydrogen 3.053 N/A LYS 112.A NZ GLU 134.A OE1 no hydrogen 2.910 N/A LYS 112.A NZ GLU 206.A OE2 no hydrogen 2.946 N/A GLY 113.A N SER 109.A O no hydrogen 2.930 N/A LEU 114.A N HIS 110.A O no hydrogen 2.847 N/A LEU 115.A N ILE 111.A O no hydrogen 2.909 N/A ILE 116.A N LYS 112.A O no hydrogen 2.916 N/A ASN 117.A N GLY 113.A O no hydrogen 2.849 N/A ASN 117.A ND2 ASN 54.A OD1 no hydrogen 3.093 N/A PHE 118.A N LEU 114.A O no hydrogen 2.974 N/A ILE 119.A N LEU 115.A O no hydrogen 3.103 N/A HIS 120.A N ILE 116.A O no hydrogen 2.868 N/A HIS 121.A N ASN 117.A O no hydrogen 3.045 N/A ASN 122.A N PHE 118.A O no hydrogen 3.253 N/A TRP 123.A N ILE 119.A O no hydrogen 2.652 N/A TRP 123.A NE1 GLN 79.A O no hydrogen 2.931 N/A LEU 126.A N TRP 123.A O no hydrogen 2.779 N/A LEU 127.A N PRO 124.A O no hydrogen 2.921 N/A LYS 128.A N SER 125.A O no hydrogen 3.259 N/A HIS 129.A ND1 SER 125.A O no hydrogen 2.795 N/A GLY 130.A N LEU 127.A O no hydrogen 3.208 N/A GLU 133.A N ILE 98.A O no hydrogen 2.978 N/A GLU 134.A N ILE 150.A O no hydrogen 2.718 N/A PHE 135.A N ILE 100.A O no hydrogen 2.986 N/A ILE 136.A N HIS 148.A O no hydrogen 2.731 N/A PHE 142.A N ALA 138.A O no hydrogen 3.369 N/A ALA 143.A N LYS 139.A O no hydrogen 3.246 N/A ASP 144.A N GLU 140.A O no hydrogen 3.082 N/A ARG 147.A N ASP 144.A O no hydrogen 3.155 N/A HIS 148.A N MET 145.A O no hydrogen 2.789 N/A HIS 148.A ND1 TYR 141.A O no hydrogen 3.078 N/A ARG 149.A N GLU 146.A O no hydrogen 3.424 N/A ARG 149.A NE GLU 133.A OE1 no hydrogen 2.809 N/A ARG 149.A NH1 GLU 146.A OE1 no hydrogen 3.487 N/A ARG 149.A NH1 GLU 146.A OE2 no hydrogen 2.747 N/A ARG 149.A NH2 GLU 133.A OE2 no hydrogen 2.949 N/A ILE 150.A N GLU 134.A O no hydrogen 2.865 N/A LEU 151.A N LYS 195.A O no hydrogen 3.015 N/A PHE 152.A N LEU 132.A O no hydrogen 3.145 N/A ARG 153.A N LEU 197.A O no hydrogen 2.811 N/A TYR 154.A OH ASP 160.A OD1 no hydrogen 2.749 N/A TYR 154.A OH ASP 160.A OD2 no hydrogen 3.361 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.550 N/A ASP 159.A N GLY 156.A O no hydrogen 3.044 N/A ALA 161.A N PRO 157.A O no hydrogen 3.030 N/A ALA 162.A N GLU 158.A O no hydrogen 3.309 N/A ILE 163.A N ASP 159.A O no hydrogen 3.292 N/A THR 164.A N ASP 160.A O no hydrogen 3.061 N/A THR 164.A OG1 ASP 160.A O no hydrogen 2.947 N/A LEU 165.A N ALA 161.A O no hydrogen 2.828 N/A ALA 166.A N ALA 162.A O no hydrogen 3.047 N/A PHE 167.A N ILE 163.A O no hydrogen 3.095 N/A SER 168.A N THR 164.A O no hydrogen 3.063 N/A SER 168.A OG GLU 57.A OE2 no hydrogen 2.664 N/A LYS 169.A N GLU 57.A OE1 no hydrogen 3.102 N/A LYS 169.A NZ.A LYS 169.A O no hydrogen 3.228 N/A LYS 170.A N SER 168.A OG no hydrogen 2.963 N/A LYS 171.A N SER 168.A O no hydrogen 2.881 N/A ARG 175.A N LYS 171.A O no hydrogen 2.918 N/A ARG 175.A NH1 LEU 165.A O no hydrogen 2.771 N/A ARG 175.A NH1 SER 168.A O no hydrogen 2.848 N/A ARG 175.A NH2 SER 168.A O no hydrogen 3.121 N/A LYS 176.A N ILE 172.A O no hydrogen 2.978 N/A LYS 176.A NZ GLY 363.A O no hydrogen 3.059 N/A GLU 177.A N ASP 173.A O no hydrogen 3.172 N/A TRP 178.A N ASP 174.A O no hydrogen 2.731 N/A TRP 178.A NE1 ASN 204.A OD1 no hydrogen 3.025 N/A LEU 179.A N ARG 175.A O no hydrogen 2.701 N/A THR 180.A N LYS 176.A O no hydrogen 2.774 N/A THR 180.A OG1 LYS 176.A O no hydrogen 2.367 N/A ASN 181.A N GLU 177.A O no hydrogen 2.896 N/A PHE 182.A N TRP 178.A O no hydrogen 3.222 N/A MET 183.A N LEU 179.A O no hydrogen 2.772 N/A GLU 184.A N THR 180.A O no hydrogen 2.993 N/A ASP 185.A N ASN 181.A O no hydrogen 2.851 N/A ARG 186.A N PHE 182.A O no hydrogen 2.892 N/A ARG 186.A NH2 GLU 216.A OE2 no hydrogen 2.966 N/A ARG 187.A N MET 183.A O no hydrogen 2.924 N/A ARG 187.A NH1 GLU 184.A OE1 no hydrogen 3.338 N/A GLN 188.A N GLU 184.A O no hydrogen 2.968 N/A GLN 188.A N ASP 185.A O no hydrogen 3.115 N/A ARG 189.A N ASP 185.A O no hydrogen 3.302 N/A ARG 190.A N ARG 186.A O no hydrogen 3.010 N/A LEU 191.A N GLN 188.A O no hydrogen 3.323 N/A HIS 192.A N ARG 189.A O no hydrogen 2.656 N/A LEU 197.A N LEU 151.A O no hydrogen 2.962 N/A TYR 199.A N ASP 159.A OD1 no hydrogen 2.982 N/A ASN 200.A N ASP 159.A OD2 no hydrogen 3.126 N/A ASP 201.A N THR 198.A OG1 no hydrogen 3.230 N/A PHE 202.A N THR 198.A O no hydrogen 2.965 N/A ILE 203.A N TYR 199.A O no hydrogen 2.971 N/A ASN 204.A N ASN 200.A O no hydrogen 3.056 N/A ASN 204.A ND2 ASN 200.A O no hydrogen 2.751 N/A LYS 205.A N ASP 201.A O no hydrogen 2.698 N/A GLU 206.A N PHE 202.A O no hydrogen 2.771 N/A LEU 207.A N PHE 202.A O no hydrogen 2.908 N/A ILE 208.A N ILE 203.A O no hydrogen 3.219 N/A LEU 209.A N GLU 206.A O no hydrogen 2.978 N/A SER 211.A N LEU 207.A O no hydrogen 3.011 N/A SER 211.A OG LEU 207.A O no hydrogen 3.457 N/A ASN 212.A N ILE 208.A O no hydrogen 2.925 N/A ASN 212.A ND2 GLU 216.A OE2 no hydrogen 2.990 N/A SER 213.A N LEU 209.A O no hydrogen 2.964 N/A ASP 214.A N PHE 210.A O no hydrogen 2.689 N/A ASN 215.A N SER 211.A O no hydrogen 3.300 N/A ASN 215.A ND2 THR 362.A O no hydrogen 3.094 N/A GLU 216.A N ASN 212.A O no hydrogen 3.065 N/A ARG 217.A N SER 213.A O no hydrogen 3.289 N/A ARG 217.A NH1 ASP 107.A OD1 no hydrogen 3.512 N/A ARG 217.A NH1 ASP 107.A OD2 no hydrogen 2.677 N/A ARG 217.A NH2 ASP 107.A OD1 no hydrogen 2.853 N/A ARG 217.A NH2 ASP 107.A OD2 no hydrogen 3.539 N/A SER 218.A N ASN 215.A O no hydrogen 3.319 N/A SER 218.A OG ASP 214.A O no hydrogen 2.760 N/A SER 218.A OG ASP 214.A OD1 no hydrogen 3.415 N/A SER 218.A OG ILE 360.A O no hydrogen 3.276 N/A ILE 219.A N ASN 215.A O no hydrogen 2.911 N/A SER 221.A N PHE 226.A O no hydrogen 2.977 N/A LEU 222.A N PHE 507.A O no hydrogen 2.800 N/A VAL 223.A N SER 221.A OG no hydrogen 2.989 N/A GLY 225.A N SER 221.A O no hydrogen 2.949 N/A PHE 226.A N ASP 224.A OD1 no hydrogen 2.868 N/A LYS 227.A N GLN 230.A OE1 no hydrogen 2.877 N/A LYS 227.A NZ GLU 358.A O no hydrogen 2.731 N/A ARG 231.A N LYS 227.A O no hydrogen 2.909 N/A ARG 231.A NE ASP 224.A OD2 no hydrogen 2.689 N/A ARG 231.A NH2 ASP 224.A OD1 no hydrogen 2.852 N/A ARG 231.A NH2 ASP 224.A OD2 no hydrogen 3.323 N/A LYS 232.A N PRO 228.A O no hydrogen 2.798 N/A LYS 232.A NZ SER 259.A O no hydrogen 2.797 N/A LYS 232.A NZ GLU 341.A OE1 no hydrogen 2.725 N/A VAL 233.A N GLY 229.A O no hydrogen 2.986 N/A LEU 234.A N GLN 230.A O no hydrogen 3.067 N/A PHE 235.A N ARG 231.A O no hydrogen 2.889 N/A THR 236.A N LYS 232.A O no hydrogen 2.994 N/A THR 236.A OG1 LYS 232.A O no hydrogen 3.009 N/A CYS 237.A N VAL 233.A O no hydrogen 3.001 N/A CYS 237.A SG VAL 233.A O no hydrogen 3.156 N/A PHE 238.A N LEU 234.A O no hydrogen 2.865 N/A LYS 239.A N PHE 235.A O no hydrogen 2.949 N/A ARG 240.A N THR 236.A O no hydrogen 2.864 N/A ARG 240.A NE ASP 242.A OD1 no hydrogen 3.236 N/A ARG 240.A NE ASP 242.A OD2 no hydrogen 2.630 N/A ARG 240.A NH1 SER 254.A OG no hydrogen 2.981 N/A ARG 240.A NH2 ASP 242.A OD1 no hydrogen 2.885 N/A ARG 240.A NH2 ASP 242.A OD2 no hydrogen 3.297 N/A ASN 241.A N CYS 237.A O no hydrogen 2.873 N/A VAL 246.A N THR 312.A O no hydrogen 2.977 N/A VAL 248.A N ILE 310.A O no hydrogen 2.749 N/A ALA 249.A N PRO 307.A O no hydrogen 3.227 N/A LEU 251.A N LYS 247.A O no hydrogen 2.852 N/A ALA 252.A N VAL 248.A O no hydrogen 2.852 N/A GLY 253.A N ALA 249.A O no hydrogen 3.242 N/A SER 254.A N GLN 250.A O no hydrogen 2.933 N/A VAL 255.A N LEU 251.A O no hydrogen 2.794 N/A ALA 256.A N ALA 252.A O no hydrogen 2.957 N/A GLU 257.A N GLY 253.A O no hydrogen 3.045 N/A MET 258.A N SER 254.A O no hydrogen 2.820 N/A SER 259.A N VAL 255.A O no hydrogen 2.988 N/A SER 259.A OG VAL 255.A O no hydrogen 2.766 N/A HIS 262.A NE2 ASP 335.A OD1 no hydrogen 3.119 N/A HIS 262.A NE2 ASP 335.A OD2 no hydrogen 3.261 N/A MET 269.A N GLU 265.A O no hydrogen 2.860 N/A MET 270.A N GLN 266.A O no hydrogen 3.057 N/A THR 271.A N ALA 267.A O no hydrogen 2.945 N/A THR 271.A OG1 ALA 267.A O no hydrogen 3.110 N/A ILE 272.A N LEU 268.A O no hydrogen 3.014 N/A VAL 273.A N MET 269.A O no hydrogen 3.015 N/A ASN 274.A N MET 270.A O no hydrogen 2.891 N/A LEU 275.A N THR 271.A O no hydrogen 2.988 N/A ALA 276.A N VAL 273.A O no hydrogen 3.077 N/A GLN 277.A NE2 PHE 294.A O no hydrogen 2.864 N/A SER 282.A N PHE 279.A O no hydrogen 2.992 N/A SER 282.A OG PHE 279.A O no hydrogen 2.724 N/A ASN 283.A ND2 ASN 274.A O no hydrogen 2.940 N/A ASN 283.A ND2 GLN 277.A O no hydrogen 2.775 N/A ASN 284.A ND2 TYR 371.A O no hydrogen 2.913 N/A ASN 284.A ND2 ASN 395.A O no hydrogen 2.940 N/A ILE 285.A N ASN 355.A OD1 no hydrogen 2.808 N/A ASN 286.A ND2 LEU 288.A O no hydrogen 2.819 N/A GLN 289.A N MET 313.A O no hydrogen 2.782 N/A GLN 289.A NE2 LEU 314.A O no hydrogen 2.851 N/A ILE 291.A N PHE 311.A O no hydrogen 2.969 N/A THR 296.A N ASP 303.A OD1 no hydrogen 2.822 N/A THR 296.A OG1 ASP 303.A OD2 no hydrogen 2.664 N/A ARG 297.A NH1 THR 468.A O no hydrogen 2.872 N/A ARG 297.A NH2 GLU 429.A OE1 no hydrogen 2.745 N/A LEU 298.A N THR 296.A OG1 no hydrogen 3.111 N/A GLY 301.A N THR 296.A O no hydrogen 2.853 N/A LYS 302.A N HIS 299.A O no hydrogen 3.123 N/A ASP 303.A N ASP 303.A OD1 no hydrogen 2.645 N/A ALA 304.A N GLY 301.A O no hydrogen 3.098 N/A ALA 305.A N GLN 293.A O no hydrogen 2.825 N/A ARG 308.A N SER 306.A OG no hydrogen 3.040 N/A TYR 309.A N SER 306.A O no hydrogen 2.848 N/A PHE 311.A N ILE 291.A O no hydrogen 2.873 N/A THR 312.A N VAL 246.A O no hydrogen 2.966 N/A THR 312.A OG1 GLN 289.A O no hydrogen 2.499 N/A SER 315.A N LEU 287.A O no hydrogen 2.968 N/A THR 316.A OG1 GLU 655.A OE2 no hydrogen 2.618 N/A LEU 317.A N SER 315.A OG no hydrogen 2.873 N/A ALA 318.A N SER 315.A O no hydrogen 3.058 N/A ARG 319.A NH1 PHE 322.A O no hydrogen 2.779 N/A ARG 319.A NH1 ASP 327.A OD1 no hydrogen 3.137 N/A ARG 319.A NH2 ASP 327.A OD2 no hydrogen 2.843 N/A LEU 321.A N LEU 317.A O no hydrogen 2.875 N/A LEU 321.A N ALA 318.A O no hydrogen 3.084 N/A PHE 322.A N ALA 318.A O no hydrogen 2.913 N/A ASP 326.A N PRO 323.A O no hydrogen 2.972 N/A ASP 327.A N ALA 324.A O no hydrogen 2.818 N/A ASN 328.A N VAL 325.A O no hydrogen 3.197 N/A ASN 328.A ND2 VAL 325.A O no hydrogen 2.924 N/A LEU 329.A N ASP 326.A O no hydrogen 2.709 N/A LEU 330.A N ASP 327.A O no hydrogen 3.240 N/A LEU 333.A N GLU 341.A O no hydrogen 2.956 N/A ASP 335.A N GLN 338.A O no hydrogen 2.988 N/A ASN 337.A ND2 ASP 336.A OD1 no hydrogen 3.351 N/A GLN 338.A NE2 GLU 257.A O no hydrogen 2.945 N/A VAL 340.A N LEU 333.A O no hydrogen 2.788 N/A GLU 341.A N GLU 341.A OE1 no hydrogen 2.841 N/A GLU 343.A N LYS 331.A O no hydrogen 2.982 N/A TRP 344.A NE1 HIS 509.A O no hydrogen 3.164 N/A TYR 345.A N ASP 224.A OD2 no hydrogen 2.923 N/A ILE 348.A N LEU 321.A O no hydrogen 2.967 N/A LEU 353.A N PRO 350.A O no hydrogen 2.884 N/A ILE 354.A N MET 351.A O no hydrogen 2.943 N/A ASN 355.A N MET 351.A O no hydrogen 3.340 N/A ASN 355.A ND2 ILE 285.A O no hydrogen 2.718 N/A GLY 359.A N CYS 366.A O no hydrogen 2.933 N/A GLY 361.A N TRP 364.A O no hydrogen 3.078 N/A THR 362.A OG1 ASP 214.A OD2 no hydrogen 2.750 N/A CYS 366.A N GLY 359.A O no hydrogen 2.733 N/A CYS 366.A SG ALA 357.A O no hydrogen 3.565 N/A CYS 366.A SG VAL 505.A O no hydrogen 3.025 N/A LYS 367.A N SER 503.A O no hydrogen 3.124 N/A LYS 367.A NZ THR 500.A O no hydrogen 3.132 N/A LEU 368.A N ALA 357.A O no hydrogen 2.984 N/A ASN 370.A N TYR 396.A OH no hydrogen 3.220 N/A ARG 374.A NE ASP 657.A OD1 no hydrogen 3.394 N/A ARG 374.A NH1 GLU 660.A OE1 no hydrogen 2.816 N/A ARG 374.A NH2 ASP 657.A OD1 no hydrogen 2.733 N/A ARG 374.A NH2 GLU 660.A OE1 no hydrogen 2.822 N/A GLU 375.A N ASP 372.A OD2 no hydrogen 2.779 N/A ILE 376.A N ASP 372.A O no hydrogen 3.076 N/A VAL 377.A N ALA 373.A O no hydrogen 2.936 N/A ASN 378.A N ARG 374.A O no hydrogen 2.871 N/A ASN 379.A N GLU 375.A O no hydrogen 2.863 N/A ASN 379.A ND2 HIS 390.A O no hydrogen 2.822 N/A VAL 380.A N ILE 376.A O no hydrogen 2.882 N/A ARG 381.A N VAL 377.A O no hydrogen 2.845 N/A ARG 382.A N ASN 378.A O no hydrogen 2.839 N/A ARG 382.A NE ASP 388.A O no hydrogen 2.890 N/A ARG 382.A NH2 ASP 388.A O no hydrogen 2.837 N/A MET 383.A N ASN 379.A O no hydrogen 3.065 N/A LEU 384.A N VAL 380.A O no hydrogen 3.009 N/A ASP 385.A N ARG 381.A O no hydrogen 3.144 N/A ASP 385.A N ARG 382.A O no hydrogen 2.984 N/A GLY 386.A N MET 383.A O no hydrogen 3.157 N/A LEU 387.A N ARG 382.A O no hydrogen 3.020 N/A HIS 390.A N ASN 379.A OD1 no hydrogen 2.785 N/A ASN 395.A N ASN 370.A O no hydrogen 2.890 N/A LYS 397.A N ASN 284.A OD1 no hydrogen 2.921 N/A LYS 397.A NZ GLU 663.A OE1 no hydrogen 2.919 N/A PHE 399.A N TYR 396.A O no hydrogen 2.977 N/A LYS 400.A N GLU 429.A OE2 no hydrogen 2.708 N/A LYS 400.A NZ THR 428.A O no hydrogen 3.550 N/A THR 402.A N SER 414.A O no hydrogen 3.003 N/A GLN 404.A N ALA 412.A O no hydrogen 2.870 N/A LEU 406.A N GLN 410.A O no hydrogen 2.843 N/A GLY 407.A N GLN 410.A O no hydrogen 3.328 N/A ASN 409.A ND2 ASN 502.A OD1 no hydrogen 3.551 N/A ASN 409.A ND2 GLU 517.A O no hydrogen 2.797 N/A GLN 410.A N GLY 407.A O no hydrogen 3.321 N/A TYR 411.A N LEU 499.A O no hydrogen 2.802 N/A ALA 412.A N GLN 404.A O no hydrogen 2.855 N/A VAL 413.A N THR 497.A O no hydrogen 2.950 N/A SER 414.A N THR 402.A O no hydrogen 2.859 N/A GLY 415.A N LEU 495.A O no hydrogen 2.804 N/A GLU 416.A N GLU 429.A O no hydrogen 3.062 N/A PHE 418.A N GLU 426.A O no hydrogen 2.929 N/A VAL 420.A N THR 424.A O no hydrogen 2.967 N/A ARG 422.A NH1 GLU 485.A OE2 no hydrogen 2.691 N/A ARG 422.A NH2 GLU 485.A OE2 no hydrogen 3.104 N/A ASN 423.A N ASP 421.A OD1 no hydrogen 2.710 N/A THR 424.A N ASP 421.A O no hydrogen 3.199 N/A THR 424.A OG1 ASP 421.A OD1 no hydrogen 2.762 N/A THR 424.A OG1 ASP 421.A OD2 no hydrogen 3.224 N/A VAL 425.A N VAL 474.A O no hydrogen 2.905 N/A GLU 426.A N PHE 418.A O no hydrogen 2.927 N/A ILE 427.A N PHE 472.A O no hydrogen 2.823 N/A THR 428.A N GLU 416.A O no hydrogen 3.012 N/A THR 428.A OG1 GLU 416.A OE1 no hydrogen 3.105 N/A LEU 430.A N GLU 429.A OE1 no hydrogen 2.962 N/A ARG 433.A NH2 GLU 358.A OE2 no hydrogen 2.928 N/A THR 434.A N PRO 431.A O no hydrogen 2.848 N/A THR 436.A N ARG 297.A O no hydrogen 3.095 N/A GLN 437.A N LEU 298.A O no hydrogen 3.012 N/A GLN 437.A NE2 GLU 441.A OE2 no hydrogen 2.683 N/A TYR 439.A N TRP 435.A O no hydrogen 2.877 N/A TYR 439.A OH PHE 493.A O no hydrogen 2.590 N/A LYS 440.A N THR 436.A O no hydrogen 2.906 N/A LYS 440.A NZ GLU 463.A OE2 no hydrogen 2.654 N/A GLU 441.A N GLN 437.A O no hydrogen 2.977 N/A GLN 442.A N VAL 438.A O no hydrogen 2.813 N/A VAL 443.A N TYR 439.A O no hydrogen 2.927 N/A LEU 444.A N TYR 439.A O no hydrogen 3.300 N/A GLU 445.A N LYS 440.A O no hydrogen 2.923 N/A MET 447.A N VAL 443.A O no hydrogen 3.105 N/A LEU 448.A N LEU 444.A O no hydrogen 2.825 N/A LEU 448.A N GLU 445.A O no hydrogen 3.000 N/A ASN 449.A N GLU 445.A O no hydrogen 2.838 N/A ASN 449.A ND2 GLU 445.A OE1 no hydrogen 2.909 N/A THR 451.A N THR 454.A O no hydrogen 2.801 N/A THR 451.A OG1 THR 454.A OG1 no hydrogen 2.624 N/A LYS 453.A N THR 451.A OG1 no hydrogen 3.141 N/A LYS 453.A NZ ASP 452.A OD2 no hydrogen 3.121 N/A THR 454.A OG1 THR 451.A OG1 no hydrogen 2.624 N/A LEU 457.A N MET 447.A O no hydrogen 2.725 N/A ILE 458.A N MET 447.A O no hydrogen 3.175 N/A SER 459.A N LYS 475.A O no hydrogen 2.762 N/A SER 459.A OG LYS 475.A O no hydrogen 3.365 N/A TYR 461.A OH GLU 445.A OE2 no hydrogen 2.659 N/A LYS 462.A N VAL 473.A O no hydrogen 2.880 N/A TYR 464.A N LYS 471.A O no hydrogen 2.674 N/A HIS 465.A NE2 GLU 463.A OE1 no hydrogen 2.850 N/A THR 466.A N THR 469.A OG1 no hydrogen 3.333 N/A THR 466.A OG1 THR 469.A OG1 no hydrogen 2.637 N/A THR 468.A N THR 466.A OG1 no hydrogen 3.188 N/A THR 469.A OG1 THR 466.A OG1 no hydrogen 2.637 N/A LYS 471.A N HIS 465.A ND1 no hydrogen 2.993 N/A PHE 472.A N ILE 427.A O no hydrogen 2.908 N/A VAL 473.A N LYS 462.A O no hydrogen 2.905 N/A VAL 474.A N VAL 425.A O no hydrogen 2.788 N/A LYS 475.A N ASP 460.A O no hydrogen 2.875 N/A LYS 475.A NZ THR 424.A OG1 no hydrogen 2.672 N/A MET 476.A N ASN 423.A O no hydrogen 2.789 N/A LYS 480.A N THR 477.A OG1 no hydrogen 2.910 N/A LEU 481.A N THR 477.A O no hydrogen 2.896 N/A ALA 482.A N GLU 478.A O no hydrogen 2.990 N/A GLN 483.A N GLU 479.A O no hydrogen 2.993 N/A ALA 484.A N LYS 480.A O no hydrogen 2.946 N/A GLU 485.A N LEU 481.A O no hydrogen 2.855 N/A ALA 486.A N ALA 482.A O no hydrogen 3.096 N/A ALA 487.A N GLN 483.A O no hydrogen 3.073 N/A ALA 487.A N ALA 484.A O no hydrogen 3.172 N/A GLY 488.A N GLU 485.A O no hydrogen 2.975 N/A VAL 492.A N GLY 488.A O no hydrogen 2.870 N/A PHE 493.A N LEU 489.A O no hydrogen 2.996 N/A LYS 494.A N LYS 491.A O no hydrogen 3.156 N/A LEU 495.A N HIS 490.A O no hydrogen 2.808 N/A GLN 496.A NE2 SER 414.A OG no hydrogen 2.983 N/A THR 497.A N VAL 413.A O no hydrogen 2.959 N/A LEU 499.A N TYR 411.A O no hydrogen 2.822 N/A CYS 501.A N ASN 409.A O no hydrogen 2.761 N/A SER 503.A OG ALA 365.A O no hydrogen 2.667 N/A LEU 506.A N LYS 514.A O no hydrogen 2.903 N/A PHE 507.A N PRO 220.A O no hydrogen 3.065 N/A ASP 508.A N CYS 512.A O no hydrogen 2.922 N/A MET 510.A N ASP 508.A OD1 no hydrogen 2.792 N/A GLY 511.A N ASP 508.A O no hydrogen 2.762 N/A CYS 512.A N ASP 508.A OD1 no hydrogen 2.950 N/A LYS 514.A N LEU 506.A O no hydrogen 2.805 N/A LYS 514.A NZ LYS 515.A O no hydrogen 3.117 N/A LYS 515.A NZ ASN 502.A O no hydrogen 2.782 N/A LYS 515.A NZ GLU 517.A OE2 no hydrogen 3.438 N/A TYR 516.A N MET 504.A O no hydrogen 2.857 N/A TYR 516.A OH GLU 525.A OE2 no hydrogen 2.568 N/A GLN 520.A NE2.A HIS 390.A O no hydrogen 3.331 N/A ASP 521.A N THR 518.A O no hydrogen 3.107 N/A ASP 521.A N THR 518.A OG1 no hydrogen 3.187 N/A LEU 523.A N VAL 519.A O no hydrogen 2.794 N/A LYS 524.A N GLN 520.A O no hydrogen 2.919 N/A LYS 524.A NZ ASP 528.A OD1 no hydrogen 3.030 N/A GLU 525.A N ASP 521.A O no hydrogen 3.093 N/A PHE 526.A N ILE 522.A O no hydrogen 2.840 N/A PHE 527.A N LEU 523.A O no hydrogen 2.793 N/A ASP 528.A N LYS 524.A O no hydrogen 3.086 N/A LEU 529.A N GLU 525.A O no hydrogen 3.392 N/A ARG 530.A N PHE 526.A O no hydrogen 2.940 N/A ARG 530.A NE ARG 530.A O no hydrogen 2.971 N/A ARG 530.A NH1 ASP 326.A OD2 no hydrogen 2.765 N/A ARG 530.A NH2 ASP 326.A OD1 no hydrogen 3.452 N/A ARG 530.A NH2 ASP 326.A OD2 no hydrogen 3.190 N/A LEU 531.A N PHE 527.A O no hydrogen 2.897 N/A SER 532.A N ASP 528.A O no hydrogen 3.132 N/A SER 532.A OG ASP 528.A O no hydrogen 3.466 N/A SER 532.A OG LEU 529.A O no hydrogen 3.104 N/A TYR 533.A N LEU 529.A O no hydrogen 3.019 N/A TYR 534.A N ARG 530.A O no hydrogen 2.982 N/A TYR 534.A OH ASP 648.A OD2 no hydrogen 2.605 N/A GLY 535.A N LEU 531.A O no hydrogen 3.124 N/A LEU 536.A N SER 532.A O no hydrogen 2.968 N/A ARG 537.A N TYR 533.A O no hydrogen 2.812 N/A ARG 537.A NH1 ASP 326.A OD1 no hydrogen 3.371 N/A ARG 537.A NH1 ASP 326.A OD2 no hydrogen 2.855 N/A ARG 537.A NH1 ASP 648.A OD2 no hydrogen 2.981 N/A ARG 537.A NH2 ASP 648.A OD1 no hydrogen 3.150 N/A ARG 537.A NH2 ASP 648.A OD2 no hydrogen 2.604 N/A LYS 538.A N TYR 534.A O no hydrogen 3.119 N/A LYS 538.A NZ LYS 637.A O no hydrogen 3.024 N/A LYS 538.A NZ LYS 639.A O no hydrogen 2.554 N/A GLU 539.A N GLY 535.A O no hydrogen 3.053 N/A TRP 540.A N LEU 536.A O no hydrogen 2.826 N/A LEU 541.A N ARG 537.A O no hydrogen 2.793 N/A VAL 542.A N LYS 538.A O no hydrogen 2.866 N/A GLY 543.A N GLU 539.A O no hydrogen 3.085 N/A MET 544.A N TRP 540.A O no hydrogen 2.859 N/A LEU 545.A N LEU 541.A O no hydrogen 2.804 N/A GLY 546.A N VAL 542.A O no hydrogen 3.007 N/A ALA 547.A N GLY 543.A O no hydrogen 2.958 N/A GLU 548.A N MET 544.A O no hydrogen 2.976 N/A SER 549.A N LEU 545.A O no hydrogen 2.869 N/A THR 550.A N GLY 546.A O no hydrogen 2.914 N/A THR 550.A OG1 GLY 546.A O no hydrogen 3.273 N/A LYS 551.A N ALA 547.A O no hydrogen 2.784 N/A LEU 552.A N GLU 548.A O no hydrogen 3.002 N/A ASN 553.A N SER 549.A O no hydrogen 2.910 N/A ASN 554.A N THR 550.A O no hydrogen 3.003 N/A ASN 554.A ND2 THR 550.A O no hydrogen 2.897 N/A GLN 555.A N LYS 551.A O no hydrogen 2.991 N/A ALA 556.A N LEU 552.A O no hydrogen 2.796 N/A ARG 557.A N ASN 553.A O no hydrogen 2.945 N/A ARG 557.A NE GLU 561.A OE2 no hydrogen 3.138 N/A ARG 557.A NH1 ARG 584.A O no hydrogen 2.858 N/A ARG 557.A NH2 GLU 561.A OE2 no hydrogen 3.419 N/A ARG 557.A NH2 ARG 584.A O no hydrogen 2.546 N/A PHE 558.A N ASN 554.A O no hydrogen 3.022 N/A ILE 559.A N GLN 555.A O no hydrogen 3.049 N/A LEU 560.A N ALA 556.A O no hydrogen 3.037 N/A GLU 561.A N ARG 557.A O no hydrogen 2.894 N/A LYS 562.A N PHE 558.A O no hydrogen 2.994 N/A LYS 562.A NZ GLU 570.A OE1 no hydrogen 3.440 N/A LYS 562.A NZ GLU 570.A OE2 no hydrogen 2.996 N/A ILE 563.A N ILE 559.A O no hydrogen 3.051 N/A GLY 565.A N LYS 562.A O no hydrogen 3.049 N/A LYS 566.A NZ GLN 564.A OE1 no hydrogen 2.708 N/A ILE 567.A N GLU 561.A O no hydrogen 2.988 N/A ILE 569.A N GLU 570.A OE1 no hydrogen 3.191 N/A GLU 570.A N GLU 570.A OE1 no hydrogen 2.593 N/A ARG 572.A N ILE 569.A O no hydrogen 2.903 N/A ARG 572.A NH1 THR 568.A O no hydrogen 3.160 N/A ARG 572.A NH1 THR 568.A OG1 no hydrogen 3.246 N/A SER 573.A OG ASP 576.A OD2 no hydrogen 2.855 N/A ASP 576.A N SER 573.A OG no hydrogen 3.221 N/A LEU 577.A N SER 573.A O no hydrogen 2.963 N/A ILE 578.A N LYS 574.A O no hydrogen 2.989 N/A GLN 579.A N LYS 575.A O no hydrogen 3.028 N/A MET 580.A N ASP 576.A O no hydrogen 3.025 N/A LEU 581.A N LEU 577.A O no hydrogen 3.029 N/A VAL 582.A N ILE 578.A O no hydrogen 2.957 N/A GLN 583.A N GLN 579.A O no hydrogen 3.155 N/A ARG 584.A N MET 580.A O no hydrogen 2.982 N/A ARG 584.A N LEU 581.A O no hydrogen 3.228 N/A ARG 584.A NE GLU 561.A OE1 no hydrogen 2.930 N/A ARG 584.A NH2 GLU 561.A OE1 no hydrogen 3.406 N/A ARG 584.A NH2 GLU 561.A OE2 no hydrogen 3.167 N/A GLY 585.A N VAL 582.A O no hydrogen 2.694 N/A TYR 586.A N LEU 581.A O no hydrogen 2.939 N/A TYR 586.A OH GLU 561.A OE1 no hydrogen 2.690 N/A GLU 587.A N ASN 554.A OD1 no hydrogen 2.860 N/A ASP 589.A N ASP 602.A O no hydrogen 2.852 N/A LYS 592.A N ASP 589.A OD2 no hydrogen 3.177 N/A LYS 592.A NZ.A GLU 596.A OE2 no hydrogen 3.447 N/A LYS 592.A NZ.A ASP 602.A OD1 no hydrogen 3.332 N/A ALA 593.A N ASP 589.A O no hydrogen 2.909 N/A TRP 594.A N PRO 590.A O no hydrogen 2.858 N/A LYS 595.A N VAL 591.A O no hydrogen 3.014 N/A GLU 596.A N LYS 592.A O no hydrogen 2.934 N/A ALA 597.A N ALA 593.A O no hydrogen 2.927 N/A GLN 598.A N TRP 594.A O no hydrogen 3.018 N/A GLU 599.A N ALA 597.A O no hydrogen 2.518 N/A ASP 602.A N SER 588.A OG no hydrogen 2.908 N/A ASN 604.A N ASP 602.A OD2 no hydrogen 2.971 N/A TYR 605.A OH GLU 587.A O no hydrogen 2.463 N/A ILE 606.A N PHE 603.A O no hydrogen 2.964 N/A LEU 607.A N PHE 603.A O no hydrogen 3.165 N/A ASN 608.A N ASN 604.A O no hydrogen 2.801 N/A MET 609.A N ILE 606.A O no hydrogen 3.004 N/A SER 613.A N SER 610.A O no hydrogen 2.914 N/A SER 613.A OG SER 610.A O no hydrogen 2.833 N/A LEU 614.A N LEU 611.A O no hydrogen 3.008 N/A THR 615.A N TRP 612.A O no hydrogen 2.857 N/A THR 615.A OG1 TRP 612.A O no hydrogen 2.751 N/A LYS 616.A NZ GLU 620.A OE2 no hydrogen 2.931 N/A LYS 618.A NZ GLU 621.A OE1 no hydrogen 3.175 N/A VAL 619.A N THR 615.A O no hydrogen 2.883 N/A GLU 620.A N LYS 616.A O no hydrogen 3.104 N/A GLU 621.A N GLU 617.A O no hydrogen 2.858 N/A LEU 622.A N LYS 618.A O no hydrogen 2.806 N/A ILE 623.A N VAL 619.A O no hydrogen 3.028 N/A LYS 624.A N GLU 620.A O no hydrogen 3.128 N/A GLN 625.A N GLU 621.A O no hydrogen 2.986 N/A ARG 626.A N LEU 622.A O no hydrogen 2.947 N/A ARG 626.A NE ASP 627.A OD1 no hydrogen 3.031 N/A ARG 626.A NH2 ASP 627.A OD1 no hydrogen 3.024 N/A ASP 627.A N ILE 623.A O no hydrogen 3.007 N/A ALA 628.A N LYS 624.A O no hydrogen 2.710 N/A LYS 629.A N GLN 625.A O no hydrogen 2.996 N/A LYS 629.A NZ GLU 548.A OE1 no hydrogen 2.729 N/A LYS 629.A NZ GLU 632.A OE1 no hydrogen 2.877 N/A GLY 630.A N ARG 626.A O no hydrogen 3.155 N/A ARG 631.A N ASP 627.A O no hydrogen 3.100 N/A GLU 632.A N ALA 628.A O no hydrogen 2.872 N/A VAL 633.A N LYS 629.A O no hydrogen 2.993 N/A ASN 634.A N GLY 630.A O no hydrogen 3.400 N/A ASP 635.A N ARG 631.A O no hydrogen 2.780 N/A LEU 636.A N GLU 632.A O no hydrogen 3.050 N/A LYS 637.A N VAL 633.A O no hydrogen 2.926 N/A ARG 638.A N ASN 634.A O no hydrogen 3.047 N/A ARG 638.A N ASP 635.A O no hydrogen 3.245 N/A ARG 638.A NH2 ASP 635.A OD1 no hydrogen 2.826 N/A LYS 639.A N LEU 636.A O no hydrogen 2.997 N/A LYS 639.A NZ GLU 647.A OE1 no hydrogen 3.488 N/A LYS 639.A NZ GLU 647.A OE2 no hydrogen 2.903 N/A SER 640.A N ASP 643.A OD2 no hydrogen 3.115 N/A ASP 643.A N SER 640.A OG no hydrogen 3.039 N/A LEU 644.A N SER 640.A O no hydrogen 2.988 N/A TRP 645.A N PRO 641.A O no hydrogen 2.989 N/A TRP 645.A NE1 ILE 348.A O no hydrogen 2.789 N/A LYS 646.A N SER 642.A O no hydrogen 2.982 N/A GLU 647.A N ASP 643.A O no hydrogen 3.016 N/A ASP 648.A N LEU 644.A O no hydrogen 3.099 N/A LEU 649.A N TRP 645.A O no hydrogen 2.818 N/A ALA 650.A N LYS 646.A O no hydrogen 2.868 N/A ALA 651.A N GLU 647.A O no hydrogen 2.898 N/A PHE 652.A N ASP 648.A O no hydrogen 2.895 N/A VAL 653.A N LEU 649.A O no hydrogen 2.975 N/A GLU 654.A N ALA 650.A O no hydrogen 3.106 N/A GLU 655.A N ALA 651.A O no hydrogen 3.305 N/A LEU 656.A N PHE 652.A O no hydrogen 2.817 N/A ASP 657.A N VAL 653.A O no hydrogen 2.770 N/A LYS 658.A N GLU 654.A O no hydrogen 3.084 N/A VAL 659.A N GLU 655.A O no hydrogen 2.721 N/A GLU 660.A N LEU 656.A O no hydrogen 2.979 N/A SER 661.A N ASP 657.A O no hydrogen 3.072 N/A SER 661.A OG ASP 657.A O no hydrogen 2.971 N/A SER 661.A OG LYS 658.A O no hydrogen 3.059 N/A GLN 662.A N LYS 658.A O no hydrogen 3.009 N/A GLU 663.A N VAL 659.A O no hydrogen 3.041 N/A ARG 664.A N GLU 660.A O no hydrogen 3.128 N/A GLU 665.A N SER 661.A O no hydrogen 3.020 N/A ASP 666.A N GLN 662.A O no hydrogen 3.122 N/A