Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASN 1.A OD1 no hydrogen 3.372 N/A SER 4.A N ASN 1.A O no hydrogen 3.448 N/A CYS 5.A SG SER 4.A OG no hydrogen 3.602 N/A LYS 6.A N PHE 3.A O no hydrogen 3.210 N/A LYS 6.A NZ PHE 38.A O no hydrogen 2.893 N/A THR 7.A N ASP 41.A OD2 no hydrogen 2.785 N/A THR 7.A OG1 ASN 8.A OD1 no hydrogen 3.103 N/A THR 7.A OG1 ASP 41.A OD2 no hydrogen 3.540 N/A ASN 8.A N ASP 41.A OD1 no hydrogen 2.680 N/A TRP 11.A NE1 LYS 42.A O no hydrogen 3.139 N/A LYS 13.A N VAL 9.A O no hydrogen 3.024 N/A ALA 14.A N CYS 10.A O no hydrogen 2.875 N/A LEU 15.A N TRP 11.A O no hydrogen 3.146 N/A GLU 16.A N ALA 12.A O no hydrogen 2.975 N/A GLU 16.A N LYS 13.A O no hydrogen 3.137 N/A LEU 19.A N LEU 15.A O no hydrogen 2.925 N/A ALA 20.A N GLU 16.A O no hydrogen 3.056 N/A THR 21.A N ILE 18.A O no hydrogen 3.309 N/A THR 21.A OG1 ILE 18.A O no hydrogen 2.777 N/A ALA 22.A N LEU 19.A O no hydrogen 2.988 N/A GLY 23.A N ALA 20.A O no hydrogen 2.848 N/A ILE 24.A N LEU 19.A O no hydrogen 3.012 N/A THR 27.A N GLN 30.A OE1 no hydrogen 2.969 N/A GLN 30.A N THR 27.A OG1 no hydrogen 3.147 N/A TRP 31.A N THR 27.A O no hydrogen 2.876 N/A SER 32.A N GLY 28.A O no hydrogen 2.970 N/A SER 32.A OG GLY 28.A O no hydrogen 2.971 N/A GLU 33.A N CYS 29.A O no hydrogen 2.817 N/A LEU 34.A N GLN 30.A O no hydrogen 2.999 N/A PHE 35.A N TRP 31.A O no hydrogen 2.985 N/A GLN 37.A N GLN 37.A OE1 no hydrogen 2.727 N/A ALA 39.A N PHE 35.A O no hydrogen 3.033 N/A ASP 40.A N PRO 36.A O no hydrogen 2.829 N/A ASP 41.A N PHE 38.A O no hydrogen 2.868 N/A LYS 42.A N GLN 37.A O no hydrogen 2.739 N/A TYR 48.A N SER 45.A OG no hydrogen 3.367 N/A TYR 48.A OH ASP 510.A OD2 no hydrogen 2.240 N/A ALA 49.A N SER 45.A O no hydrogen 2.977 N/A LEU 50.A N ALA 46.A O no hydrogen 2.919 N/A ASP 51.A N ILE 47.A O no hydrogen 3.031 N/A VAL 52.A N TYR 48.A O no hydrogen 3.017 N/A ILE 53.A N ALA 49.A O no hydrogen 2.930 N/A CYS 54.A N LEU 50.A O no hydrogen 2.983 N/A CYS 54.A SG MET 60.A O no hydrogen 3.199 N/A ILE 55.A N ASP 51.A O no hydrogen 3.039 N/A LYS 56.A N VAL 52.A O no hydrogen 2.973 N/A LYS 56.A NZ HIS 137.A O no hydrogen 3.481 N/A LYS 56.A NZ ASN 138.A O no hydrogen 2.972 N/A PHE 57.A N ILE 53.A O no hydrogen 2.971 N/A PHE 58.A N CYS 54.A O no hydrogen 2.897 N/A GLY 59.A N ILE 55.A O no hydrogen 2.843 N/A ASP 61.A N ASN 143.A OD1 no hydrogen 2.963 N/A LEU 62.A N ASP 51.A OD1 no hydrogen 3.010 N/A THR 63.A N ASP 61.A OD1 no hydrogen 2.968 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.635 N/A SER 64.A N ASP 61.A O no hydrogen 3.042 N/A SER 64.A OG ASP 61.A O no hydrogen 2.845 N/A GLY 65.A N LEU 62.A O no hydrogen 3.025 N/A LEU 66.A N SER 64.A OG no hydrogen 3.164 N/A SER 68.A N GLY 65.A O no hydrogen 2.987 N/A LYS 69.A N GLY 98.A O no hydrogen 2.982 N/A LYS 69.A NZ TYR 99.A O no hydrogen 3.401 N/A ILE 72.A N TYR 97.A O no hydrogen 3.098 N/A LEU 74.A N ARG 95.A O no hydrogen 2.934 N/A THR 75.A N ASP 89.A O no hydrogen 2.958 N/A THR 75.A OG1 SER 91.A O no hydrogen 2.687 N/A HIS 77.A N HIS 87.A O no hydrogen 2.812 N/A HIS 77.A NE2 ASP 89.A OD1 no hydrogen 3.130 N/A HIS 77.A NE2 SER 91.A OG no hydrogen 3.030 N/A ASP 80.A N ARG 83.A O no hydrogen 2.984 N/A ALA 82.A N ASP 80.A OD1 no hydrogen 2.832 N/A ARG 83.A N ASP 80.A OD1 no hydrogen 2.766 N/A ARG 83.A NH1 ASP 80.A OD2 no hydrogen 3.257 N/A HIS 87.A N HIS 77.A O no hydrogen 2.928 N/A ASP 89.A N THR 75.A O no hydrogen 3.061 N/A ASN 90.A ND2 ALA 14.A O no hydrogen 2.951 N/A ASN 90.A ND2 PRO 73.A O no hydrogen 3.153 N/A SER 91.A N ASP 89.A OD1 no hydrogen 3.035 N/A SER 91.A OG HIS 77.A NE2 no hydrogen 3.030 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 3.376 N/A ARG 95.A NE GLU 511.A OE1 no hydrogen 2.968 N/A ARG 95.A NE GLU 511.A OE2 no hydrogen 3.333 N/A ARG 95.A NH2 GLU 511.A OE2 no hydrogen 2.610 N/A TYR 97.A N ILE 72.A O no hydrogen 2.902 N/A GLY 98.A N PHE 67.A O no hydrogen 2.732 N/A TYR 99.A N THR 21.A OG1 no hydrogen 2.816 N/A ASP 100.A N LEU 66.A O no hydrogen 2.667 N/A ILE 103.A N ASP 100.A OD1 no hydrogen 3.237 N/A ALA 104.A N ASP 100.A O no hydrogen 3.156 N/A ALA 105.A N HIS 101.A O no hydrogen 2.867 N/A GLU 106.A N ALA 102.A O no hydrogen 3.004 N/A LEU 107.A N ILE 103.A O no hydrogen 3.022 N/A SER 108.A N ALA 104.A O no hydrogen 3.073 N/A SER 108.A N ALA 105.A O no hydrogen 3.137 N/A SER 108.A OG ALA 105.A O no hydrogen 2.392 N/A ARG 109.A N GLU 106.A O no hydrogen 3.396 N/A PHE 111.A N LEU 107.A O no hydrogen 2.888 N/A PHE 114.A N PHE 111.A O no hydrogen 2.976 N/A LEU 116.A N PRO 112.A O no hydrogen 3.024 N/A ALA 117.A N VAL 113.A O no hydrogen 2.726 N/A THR 121.A OG1 GLY 118.A O no hydrogen 3.025 N/A GLN 122.A N ARG 131.A O no hydrogen 2.859 N/A GLN 122.A NE2 LYS 56.A O no hydrogen 2.747 N/A GLN 122.A NE2 SER 134.A O no hydrogen 3.202 N/A GLN 122.A NE2 HIS 137.A O no hydrogen 3.458 N/A LEU 123.A N PHE 57.A O no hydrogen 2.816 N/A ASP 124.A N ARG 129.A O no hydrogen 3.044 N/A GLN 126.A N ASP 124.A OD1 no hydrogen 3.163 N/A THR 127.A N ASP 124.A OD1 no hydrogen 3.306 N/A GLY 128.A N ASP 124.A O no hydrogen 2.954 N/A ARG 129.A N THR 127.A OG1 no hydrogen 3.112 N/A ARG 131.A N GLN 122.A O no hydrogen 3.313 N/A ARG 131.A NH1 GLN 122.A OE1 no hydrogen 2.520 N/A ARG 131.A NH1 VAL 132.A O no hydrogen 2.971 N/A ARG 131.A NH2 GLN 122.A OE1 no hydrogen 3.249 N/A SER 134.A N GLN 122.A OE1 no hydrogen 3.240 N/A ALA 135.A N GLU 33.A OE2 no hydrogen 3.159 N/A GLN 136.A N SER 134.A OG no hydrogen 3.086 N/A ASN 138.A ND2 ILE 55.A O no hydrogen 3.504 N/A ASN 138.A ND2 LYS 56.A O no hydrogen 3.065 N/A ASN 138.A ND2 LEU 123.A O no hydrogen 2.869 N/A VAL 142.A N GLY 59.A O no hydrogen 3.067 N/A ASN 143.A ND2 ASP 61.A OD1 no hydrogen 2.857 N/A ARG 144.A NE ALA 267.A O no hydrogen 2.682 N/A ARG 144.A NH2 ALA 267.A O no hydrogen 3.010 N/A ARG 144.A NH2 GLU 272.A OE1 no hydrogen 2.836 N/A ASN 145.A ND2 SER 592.A OG no hydrogen 2.988 N/A LEU 146.A N VAL 656.A O no hydrogen 2.861 N/A HIS 148.A ND1 ALA 149.A O no hydrogen 2.657 N/A ALA 149.A N SER 324.A OG no hydrogen 3.158 N/A LEU 150.A N TYR 661.A OH no hydrogen 2.906 N/A VAL 151.A N HIS 231.A ND1 no hydrogen 3.318 N/A TYR 154.A OH GLU 156.A OE2 no hydrogen 3.300 N/A LYS 155.A N ASN 296.A OD1 no hydrogen 2.989 N/A LYS 157.A N SER 294.A O no hydrogen 2.948 N/A GLY 160.A N ASP 291.A O no hydrogen 2.908 N/A PHE 165.A N VAL 162.A O no hydrogen 2.917 N/A LEU 166.A N VAL 162.A O no hydrogen 3.000 N/A ASN 167.A N LYS 163.A O no hydrogen 2.971 N/A GLN 168.A N PHE 165.A O no hydrogen 2.978 N/A PHE 169.A N LEU 166.A O no hydrogen 3.065 N/A VAL 174.A N ARG 188.A O no hydrogen 2.800 N/A LEU 175.A N LEU 218.A O no hydrogen 3.048 N/A VAL 176.A N GLU 190.A O no hydrogen 2.718 N/A VAL 177.A N PHE 220.A O no hydrogen 2.980 N/A SER 178.A N ILE 192.A O no hydrogen 2.899 N/A SER 178.A OG GLU 180.A O no hydrogen 2.774 N/A GLU 180.A N SER 178.A OG no hydrogen 3.338 N/A LYS 187.A N ALA 184.A O no hydrogen 2.931 N/A LYS 187.A NZ LEU 166.A O no hydrogen 2.856 N/A LYS 187.A NZ HIS 171.A O no hydrogen 3.019 N/A ARG 188.A N HIS 172.A O no hydrogen 2.977 N/A GLU 190.A N VAL 174.A O no hydrogen 3.092 N/A TRP 191.A N ASP 201.A OD2 no hydrogen 2.827 N/A TRP 191.A NE1 SER 178.A O no hydrogen 2.971 N/A ILE 192.A N VAL 176.A O no hydrogen 2.622 N/A ALA 193.A N LYS 202.A O no hydrogen 2.948 N/A LYS 202.A N TRP 191.A O no hydrogen 3.084 N/A LYS 202.A NZ GLU 190.A OE2 no hydrogen 3.110 N/A LYS 202.A NZ ASP 201.A O no hydrogen 3.563 N/A ASN 203.A ND2 PRO 194.A O no hydrogen 2.819 N/A ASN 203.A ND2 ILE 197.A O no hydrogen 3.025 N/A TYR 204.A N ALA 193.A O no hydrogen 3.213 N/A PHE 208.A N ASN 205.A O no hydrogen 2.971 N/A GLY 209.A N LEU 206.A O no hydrogen 3.004 N/A PHE 210.A N SER 248.A OG no hydrogen 2.864 N/A GLN 213.A NE2 TYR 204.A OH no hydrogen 3.440 N/A GLN 213.A NE2 PRO 211.A O no hydrogen 2.645 N/A TYR 216.A N CYS 252.A O no hydrogen 2.845 N/A VAL 219.A N THR 258.A O no hydrogen 3.049 N/A PHE 220.A N LEU 175.A O no hydrogen 2.911 N/A ILE 221.A N VAL 260.A O no hydrogen 2.889 N/A ASN 222.A N VAL 177.A O no hydrogen 2.681 N/A ASN 222.A ND2 SER 178.A OG no hydrogen 3.265 N/A THR 225.A N TYR 264.A OH no hydrogen 2.851 N/A THR 225.A OG1 HIS 238.A ND1 no hydrogen 2.809 N/A ARG 228.A NH1 LEU 34.A O no hydrogen 3.532 N/A ARG 228.A NH1 ASP 237.A OD2 no hydrogen 2.853 N/A ARG 228.A NH2 LEU 34.A O no hydrogen 3.395 N/A ASN 229.A N GLN 233.A OE1 no hydrogen 3.049 N/A ASN 229.A ND2 ALA 135.A O no hydrogen 3.439 N/A ASN 229.A ND2 GLN 233.A OE1 no hydrogen 3.093 N/A HIS 231.A NE2 TYR 264.A O no hydrogen 2.597 N/A PHE 232.A N HIS 230.A ND1 no hydrogen 3.173 N/A GLN 233.A NE2 ALA 135.A O no hydrogen 3.122 N/A GLN 234.A N HIS 230.A O no hydrogen 2.910 N/A GLN 234.A NE2 THR 225.A O no hydrogen 2.893 N/A CYS 235.A N HIS 231.A O no hydrogen 2.974 N/A CYS 235.A SG HIS 231.A O no hydrogen 3.947 N/A CYS 235.A SG TYR 264.A O no hydrogen 3.360 N/A CYS 235.A SG GLY 265.A O no hydrogen 3.676 N/A GLU 236.A N PHE 232.A O no hydrogen 3.077 N/A ASP 237.A N GLN 233.A O no hydrogen 2.988 N/A HIS 238.A N GLN 234.A O no hydrogen 2.921 N/A HIS 238.A ND1 THR 225.A OG1 no hydrogen 2.809 N/A HIS 238.A NE2 LYS 262.A O no hydrogen 2.888 N/A ALA 239.A N CYS 235.A O no hydrogen 2.794 N/A ALA 239.A N GLU 236.A O no hydrogen 3.247 N/A LEU 242.A N HIS 238.A O no hydrogen 2.861 N/A LYS 243.A N ALA 239.A O no hydrogen 3.105 N/A LYS 243.A NZ ASP 510.A OD1 no hydrogen 2.899 N/A THR 244.A N ALA 240.A O no hydrogen 2.977 N/A THR 244.A OG1 ALA 240.A O no hydrogen 2.763 N/A LEU 245.A N THR 241.A O no hydrogen 3.028 N/A SER 246.A N LEU 242.A O no hydrogen 3.000 N/A SER 246.A OG LEU 242.A O no hydrogen 2.539 N/A ARG 247.A N LYS 243.A O no hydrogen 2.895 N/A ARG 247.A NH1 ARG 247.A O no hydrogen 3.027 N/A ARG 247.A NH1 ASN 251.A OD1 no hydrogen 2.904 N/A ARG 247.A NH2 GLU 507.A OE1 no hydrogen 3.500 N/A SER 248.A N THR 244.A O no hydrogen 3.029 N/A SER 248.A OG PHE 210.A O no hydrogen 3.215 N/A SER 248.A OG THR 244.A O no hydrogen 3.373 N/A ALA 249.A N LEU 245.A O no hydrogen 2.952 N/A LEU 250.A N SER 246.A O no hydrogen 3.023 N/A ASN 251.A N SER 248.A O no hydrogen 3.204 N/A CYS 252.A N ALA 249.A O no hydrogen 2.822 N/A CYS 252.A SG SER 248.A O no hydrogen 3.644 N/A LEU 253.A N LEU 250.A O no hydrogen 3.486 N/A ASN 254.A N TYR 216.A O no hydrogen 2.870 N/A ASN 254.A ND2 ASP 217.A OD1 no hydrogen 3.174 N/A GLY 256.A N LEU 306.A O no hydrogen 2.754 N/A GLY 257.A N ASN 254.A O no hydrogen 2.859 N/A THR 258.A N ASP 217.A O no hydrogen 2.846 N/A LEU 259.A N PHE 303.A O no hydrogen 2.958 N/A VAL 260.A N VAL 219.A O no hydrogen 2.926 N/A VAL 261.A N LEU 301.A O no hydrogen 2.958 N/A LYS 262.A N ILE 221.A O no hydrogen 2.968 N/A LYS 262.A NZ ASN 222.A O no hydrogen 3.334 N/A LYS 262.A NZ ASN 222.A OD1 no hydrogen 3.317 N/A LYS 262.A NZ GLU 298.A OE1 no hydrogen 3.468 N/A LYS 262.A NZ GLU 298.A OE2 no hydrogen 3.155 N/A SER 263.A N MET 299.A O no hydrogen 2.652 N/A SER 263.A OG MET 299.A O no hydrogen 3.004 N/A GLY 265.A N SER 263.A OG no hydrogen 3.062 N/A TYR 266.A OH ASN 320.A OD1 no hydrogen 2.580 N/A ARG 269.A NH2 GLU 539.A OE2 no hydrogen 2.404 N/A SER 271.A N ASP 268.A OD2 no hydrogen 2.989 N/A SER 271.A OG CYS 235.A O no hydrogen 3.370 N/A SER 271.A OG ASP 268.A OD1 no hydrogen 2.757 N/A GLU 272.A N ASP 268.A O no hydrogen 3.074 N/A ASP 273.A N ARG 269.A O no hydrogen 2.913 N/A VAL 274.A N ASN 270.A O no hydrogen 2.982 N/A VAL 275.A N SER 271.A O no hydrogen 2.953 N/A THR 276.A N GLU 272.A O no hydrogen 2.941 N/A THR 276.A OG1 GLU 272.A O no hydrogen 2.743 N/A ALA 277.A N ASP 273.A O no hydrogen 3.063 N/A LEU 278.A N VAL 274.A O no hydrogen 2.948 N/A ALA 279.A N VAL 275.A O no hydrogen 2.865 N/A ARG 280.A N THR 276.A O no hydrogen 2.947 N/A ARG 280.A NH2 ASP 509.A O no hydrogen 3.477 N/A LYS 281.A N LEU 278.A O no hydrogen 3.180 N/A LYS 281.A NZ ASN 308.A OD1 no hydrogen 2.663 N/A LYS 281.A NZ GLU 507.A O no hydrogen 3.014 N/A PHE 282.A N ALA 279.A O no hydrogen 2.974 N/A VAL 283.A N ARG 304.A O no hydrogen 3.217 N/A VAL 283.A N GLN 305.A O no hydrogen 3.253 N/A ARG 284.A N ARG 304.A O no hydrogen 3.405 N/A SER 286.A N ILE 302.A O no hydrogen 2.943 N/A SER 286.A OG ASP 472.A OD1 no hydrogen 2.852 N/A SER 286.A OG ASP 472.A OD2 no hydrogen 3.313 N/A ALA 288.A N TYR 300.A O no hydrogen 2.927 N/A ARG 289.A NH2 VAL 326.A O no hydrogen 3.063 N/A VAL 293.A N PRO 290.A O no hydrogen 3.485 N/A SER 294.A N GLU 298.A OE1 no hydrogen 2.799 N/A SER 295.A OG THR 297.A OG1 no hydrogen 3.185 N/A ASN 296.A N LYS 155.A O no hydrogen 3.154 N/A ASN 296.A ND2 GLU 153.A O no hydrogen 2.832 N/A THR 297.A OG1 GLN 234.A OE1 no hydrogen 2.759 N/A THR 297.A OG1 SER 295.A OG no hydrogen 3.185 N/A GLU 298.A N SER 295.A O no hydrogen 3.419 N/A MET 299.A N SER 263.A O no hydrogen 2.528 N/A TYR 300.A N ALA 288.A O no hydrogen 2.912 N/A TYR 300.A OH ASN 222.A OD1 no hydrogen 2.728 N/A LEU 301.A N VAL 261.A O no hydrogen 2.993 N/A ILE 302.A N SER 286.A O no hydrogen 2.995 N/A PHE 303.A N LEU 259.A O no hydrogen 2.962 N/A ARG 304.A N ARG 284.A O no hydrogen 2.874 N/A ARG 304.A NH2 GLY 335.A O no hydrogen 2.711 N/A LEU 306.A N GLY 257.A O no hydrogen 2.981 N/A ASP 307.A N LYS 281.A O no hydrogen 3.156 N/A ASN 308.A N LYS 281.A O no hydrogen 2.886 N/A ASN 308.A ND2 ASP 503.A O no hydrogen 2.796 N/A ASN 308.A ND2 ASP 505.A O no hydrogen 2.858 N/A SER 309.A N ASP 307.A OD1 no hydrogen 3.070 N/A ARG 312.A NE ARG 280.A O no hydrogen 3.069 N/A ARG 312.A NH2 ASP 307.A OD2 no hydrogen 2.817 N/A THR 315.A OG1 HIS 317.A ND1 no hydrogen 2.756 N/A HIS 317.A ND1 THR 315.A OG1 no hydrogen 2.756 N/A HIS 317.A NE2 HIS 651.A O no hydrogen 2.680 N/A ASN 320.A N PRO 316.A O no hydrogen 2.994 N/A ASN 320.A ND2 ALA 654.A O no hydrogen 3.201 N/A CYS 321.A N HIS 317.A O no hydrogen 3.102 N/A CYS 321.A SG ASN 433.A O no hydrogen 3.500 N/A VAL 322.A N HIS 318.A O no hydrogen 2.985 N/A ILE 323.A N LEU 319.A O no hydrogen 3.017 N/A SER 324.A N ASN 320.A O no hydrogen 3.054 N/A SER 324.A OG GLU 328.A OE1 no hydrogen 3.359 N/A SER 325.A N CYS 321.A O no hydrogen 3.018 N/A SER 325.A OG CYS 321.A O no hydrogen 2.787 N/A VAL 326.A N VAL 322.A O no hydrogen 2.994 N/A TYR 327.A N ILE 323.A O no hydrogen 3.021 N/A TYR 327.A OH THR 297.A O no hydrogen 2.551 N/A GLU 328.A N SER 324.A O no hydrogen 3.037 N/A GLU 328.A N SER 325.A O no hydrogen 3.110 N/A GLY 329.A N VAL 326.A O no hydrogen 3.005 N/A SER 339.A N ASP 474.A OD1 no hydrogen 2.987 N/A SER 339.A OG ASP 474.A OD1 no hydrogen 3.300 N/A TYR 340.A OH ASP 469.A OD1 no hydrogen 2.536 N/A ARG 341.A N VAL 475.A O no hydrogen 2.881 N/A THR 342.A OG1 ASP 489.A OD1 no hydrogen 2.612 N/A THR 342.A OG1 ASP 489.A OD2 no hydrogen 3.562 N/A LYS 343.A N ILE 477.A O no hydrogen 3.005 N/A ALA 348.A N ASN 346.A OD1 no hydrogen 3.112 N/A ASP 349.A N ASN 346.A O no hydrogen 2.990 N/A CYS 350.A N ILE 347.A O no hydrogen 2.929 N/A CYS 350.A SG ILE 347.A O no hydrogen 3.201 N/A GLU 353.A N SER 439.A OG no hydrogen 2.728 N/A ALA 354.A N SER 439.A O no hydrogen 3.124 N/A VAL 355.A N LYS 400.A O no hydrogen 2.965 N/A VAL 356.A N ALA 441.A O no hydrogen 2.674 N/A ASN 357.A N ILE 402.A O no hydrogen 2.903 N/A ASN 357.A ND2 HIS 403.A ND1 no hydrogen 3.513 N/A ALA 359.A N ALA 404.A O no hydrogen 2.955 N/A ASN 360.A ND2 ARG 364.A O no hydrogen 2.871 N/A LEU 362.A N ASN 360.A OD1 no hydrogen 3.042 N/A GLY 363.A N ASN 360.A O no hydrogen 2.975 N/A ARG 364.A N ASN 360.A OD1 no hydrogen 3.336 N/A CYS 370.A SG ARG 364.A O no hydrogen 4.043 N/A ARG 371.A N GLY 368.A O no hydrogen 2.975 N/A ARG 371.A NH1 GLU 367.A OE1 no hydrogen 2.930 N/A ILE 373.A N VAL 369.A O no hydrogen 3.006 N/A TYR 374.A N CYS 370.A O no hydrogen 3.001 N/A LYS 375.A N ARG 371.A O no hydrogen 3.069 N/A ARG 376.A N ALA 372.A O no hydrogen 3.088 N/A TRP 377.A N ILE 373.A O no hydrogen 2.815 N/A SER 380.A N TRP 377.A O no hydrogen 3.072 N/A SER 380.A OG TRP 377.A O no hydrogen 2.579 N/A PHE 381.A N PRO 378.A O no hydrogen 2.855 N/A THR 382.A N THR 379.A O no hydrogen 3.220 N/A THR 382.A OG1 THR 379.A O no hydrogen 2.679 N/A SER 384.A OG GLY 363.A O no hydrogen 2.557 N/A THR 386.A OG1 THR 390.A OG1 no hydrogen 2.648 N/A GLY 389.A N VAL 405.A O no hydrogen 2.808 N/A THR 390.A N GLU 387.A O no hydrogen 3.075 N/A THR 390.A OG1 THR 386.A OG1 no hydrogen 2.648 N/A THR 390.A OG1 GLU 387.A O no hydrogen 2.616 N/A ARG 392.A N HIS 403.A O no hydrogen 2.927 N/A ARG 392.A NH1 ALA 385.A O no hydrogen 2.963 N/A THR 394.A N VAL 401.A O no hydrogen 2.997 N/A THR 394.A OG1 SER 380.A O no hydrogen 3.415 N/A THR 394.A OG1 VAL 401.A O no hydrogen 3.009 N/A THR 394.A OG1 HIS 403.A NE2 no hydrogen 3.219 N/A CYS 396.A N LYS 399.A O no hydrogen 2.969 N/A CYS 396.A SG THR 379.A OG1 no hydrogen 3.082 N/A LYS 399.A N CYS 396.A O no hydrogen 3.006 N/A LYS 400.A NZ GLU 353.A OE2 no hydrogen 3.013 N/A VAL 401.A N THR 394.A O no hydrogen 2.884 N/A ILE 402.A N VAL 355.A O no hydrogen 2.986 N/A HIS 403.A N ARG 392.A O no hydrogen 2.955 N/A ALA 404.A N ASN 357.A O no hydrogen 3.093 N/A VAL 405.A N THR 390.A O no hydrogen 3.088 N/A PHE 409.A N TYR 450.A O no hydrogen 2.858 N/A ARG 410.A N ASP 408.A OD1 no hydrogen 3.045 N/A LYS 411.A N ASP 408.A O no hydrogen 3.007 N/A HIS 412.A ND1 GLU 416.A OE2 no hydrogen 3.138 N/A ALA 417.A N PRO 413.A O no hydrogen 2.928 N/A LEU 418.A N GLU 414.A O no hydrogen 3.013 N/A LYS 419.A N ALA 415.A O no hydrogen 3.075 N/A LYS 419.A NZ VAL 646.A O no hydrogen 3.063 N/A LEU 420.A N GLU 416.A O no hydrogen 3.035 N/A LEU 421.A N ALA 417.A O no hydrogen 2.906 N/A GLN 422.A N LEU 418.A O no hydrogen 3.002 N/A GLN 422.A NE2 GLN 422.A O no hydrogen 3.215 N/A GLN 422.A NE2 CYS 463.A O no hydrogen 2.947 N/A ASN 423.A N LYS 419.A O no hydrogen 2.924 N/A ALA 424.A N LEU 420.A O no hydrogen 2.931 N/A TYR 425.A N LEU 421.A O no hydrogen 3.144 N/A TYR 425.A OH SER 460.A OG no hydrogen 2.826 N/A HIS 426.A N GLN 422.A O no hydrogen 2.911 N/A HIS 426.A NE2 LEU 647.A O no hydrogen 2.785 N/A ALA 427.A N ASN 423.A O no hydrogen 2.930 N/A VAL 428.A N ALA 424.A O no hydrogen 3.034 N/A ALA 429.A N TYR 425.A O no hydrogen 3.007 N/A ASP 430.A N HIS 426.A O no hydrogen 2.812 N/A LEU 431.A N ALA 427.A O no hydrogen 3.044 N/A VAL 432.A N VAL 428.A O no hydrogen 3.006 N/A ASN 433.A N ALA 429.A O no hydrogen 3.042 N/A ASN 433.A ND2 ARG 470.A O no hydrogen 2.930 N/A GLU 434.A N ASP 430.A O no hydrogen 2.904 N/A HIS 435.A N LEU 431.A O no hydrogen 2.921 N/A ASN 436.A N ASN 433.A O no hydrogen 3.243 N/A ILE 437.A N VAL 432.A O no hydrogen 2.901 N/A LYS 438.A N GLU 353.A OE1 no hydrogen 3.059 N/A LYS 438.A NZ ASP 332.A OD1 no hydrogen 3.304 N/A VAL 440.A N ASP 474.A O no hydrogen 3.030 N/A ALA 441.A N ALA 354.A O no hydrogen 2.795 N/A ILE 442.A N THR 476.A O no hydrogen 3.058 N/A LEU 445.A N TYR 425.A OH no hydrogen 2.860 N/A SER 446.A OG PRO 407.A O no hydrogen 3.027 N/A THR 447.A OG1 LEU 444.A O no hydrogen 3.089 N/A ALA 452.A N ILE 449.A O no hydrogen 2.996 N/A LYS 454.A N ALA 451.A O no hydrogen 3.449 N/A LEU 457.A N ASP 455.A OD1 no hydrogen 3.212 N/A GLU 458.A N GLU 458.A OE1 no hydrogen 2.360 N/A SER 460.A N ARG 456.A O no hydrogen 2.878 N/A SER 460.A OG TYR 425.A OH no hydrogen 2.826 N/A SER 460.A OG LEU 445.A O no hydrogen 2.650 N/A LEU 461.A N LEU 457.A O no hydrogen 2.935 N/A ASN 462.A N GLU 458.A O no hydrogen 2.937 N/A CYS 463.A N VAL 459.A O no hydrogen 3.028 N/A CYS 463.A SG GLN 422.A OE1 no hydrogen 3.338 N/A CYS 463.A SG VAL 459.A O no hydrogen 3.312 N/A LEU 464.A N SER 460.A O no hydrogen 2.968 N/A THR 465.A N LEU 461.A O no hydrogen 3.053 N/A THR 465.A OG1 LEU 461.A O no hydrogen 3.432 N/A THR 465.A OG1 ASN 462.A O no hydrogen 3.322 N/A THR 466.A N ASN 462.A O no hydrogen 2.988 N/A THR 466.A OG1 ASN 462.A O no hydrogen 2.649 N/A ALA 467.A N CYS 463.A O no hydrogen 3.051 N/A LEU 468.A N LEU 464.A O no hydrogen 2.858 N/A ASP 469.A N THR 465.A O no hydrogen 2.791 N/A ARG 470.A N ALA 467.A O no hydrogen 3.252 N/A THR 471.A N LEU 468.A O no hydrogen 3.300 N/A THR 471.A OG1 LEU 468.A O no hydrogen 2.985 N/A ALA 473.A N THR 471.A OG1 no hydrogen 3.310 N/A ASP 474.A N LYS 438.A O no hydrogen 2.929 N/A VAL 475.A N SER 339.A O no hydrogen 2.873 N/A THR 476.A N VAL 440.A O no hydrogen 2.996 N/A THR 476.A OG1 GLU 352.A OE2 no hydrogen 3.071 N/A ILE 477.A N ARG 341.A O no hydrogen 2.956 N/A TYR 478.A N ILE 442.A O no hydrogen 3.140 N/A TYR 478.A OH GLU 352.A OE1 no hydrogen 3.131 N/A CYS 479.A N LYS 343.A O no hydrogen 3.115 N/A CYS 479.A SG LYS 343.A O no hydrogen 3.986 N/A LYS 485.A N ASP 481.A O no hydrogen 2.994 N/A LYS 485.A NZ THR 342.A OG1 no hydrogen 3.184 N/A LYS 485.A NZ ASP 489.A OD2 no hydrogen 2.802 N/A GLU 486.A N LYS 482.A O no hydrogen 2.911 N/A ARG 487.A N LYS 483.A O no hydrogen 3.089 N/A ARG 487.A NH1 ASP 455.A OD2 no hydrogen 2.817 N/A ARG 487.A NH2 ASP 455.A OD1 no hydrogen 3.133 N/A ARG 487.A NH2 ASP 455.A OD2 no hydrogen 3.381 N/A ILE 488.A N TRP 484.A O no hydrogen 2.986 N/A ASP 489.A N LYS 485.A O no hydrogen 3.024 N/A ALA 490.A N GLU 486.A O no hydrogen 3.058 N/A ALA 491.A N ARG 487.A O no hydrogen 3.003 N/A LEU 492.A N ILE 488.A O no hydrogen 2.989 N/A GLN 493.A N ASP 489.A O no hydrogen 2.987 N/A LEU 494.A N ALA 490.A O no hydrogen 3.077 N/A LYS 495.A N ALA 491.A O no hydrogen 2.980 N/A LYS 495.A NZ ASP 469.A OD1 no hydrogen 3.557 N/A LYS 495.A NZ ASP 469.A OD2 no hydrogen 2.731 N/A GLU 496.A N LEU 492.A O no hydrogen 2.955 N/A LYS 502.A N ASP 307.A O no hydrogen 2.842 N/A LYS 502.A NZ SER 309.A OG no hydrogen 3.411 N/A ASP 505.A N ASP 503.A OD2 no hydrogen 2.860 N/A GLU 507.A N ASP 505.A OD1 no hydrogen 3.145 N/A ASP 510.A N ASP 510.A OD1 no hydrogen 2.507 N/A VAL 513.A N GLY 526.A O no hydrogen 2.962 N/A TRP 514.A N LYS 533.A O no hydrogen 2.848 N/A ILE 515.A N SER 528.A O no hydrogen 2.809 N/A HIS 516.A NE2 LEU 600.A O no hydrogen 3.037 N/A ASP 518.A N HIS 516.A ND1 no hydrogen 3.239 N/A SER 519.A N HIS 516.A O no hydrogen 2.929 N/A SER 519.A OG GLU 608.A OE1 no hydrogen 2.653 N/A CYS 520.A N GLU 608.A OE2 no hydrogen 2.891 N/A CYS 520.A SG GLU 608.A OE2 no hydrogen 3.389 N/A LEU 521.A N SER 519.A OG no hydrogen 3.054 N/A LYS 522.A N SER 519.A O no hydrogen 3.441 N/A ARG 524.A N LEU 521.A O no hydrogen 2.913 N/A ARG 524.A NH2 GLY 540.A O no hydrogen 3.391 N/A PHE 527.A N ARG 524.A O no hydrogen 3.230 N/A SER 528.A N VAL 513.A O no hydrogen 2.961 N/A THR 530.A N SER 528.A OG no hydrogen 3.188 N/A LYS 533.A N LEU 512.A O no hydrogen 3.115 N/A LYS 533.A NZ ASP 273.A OD2 no hydrogen 3.121 N/A LYS 533.A NZ ASP 510.A O no hydrogen 3.255 N/A SER 536.A N PRO 594.A O no hydrogen 3.072 N/A TYR 537.A OH SER 591.A OG no hydrogen 2.716 N/A PHE 538.A N SER 536.A OG no hydrogen 3.123 N/A GLU 539.A N GLU 539.A OE1 no hydrogen 2.864 N/A THR 541.A N PHE 538.A O no hydrogen 3.087 N/A THR 541.A OG1 PHE 538.A O no hydrogen 2.851 N/A PHE 543.A N THR 541.A OG1 no hydrogen 2.998 N/A HIS 544.A N THR 541.A O no hydrogen 3.481 N/A HIS 544.A ND1 TYR 537.A O no hydrogen 3.120 N/A ALA 547.A N PHE 543.A O no hydrogen 2.973 N/A LYS 548.A N HIS 544.A O no hydrogen 2.922 N/A LYS 548.A NZ SER 64.A O no hydrogen 3.101 N/A ASP 549.A N GLN 545.A O no hydrogen 3.035 N/A MET 550.A N ALA 546.A O no hydrogen 3.048 N/A ALA 551.A N ALA 547.A O no hydrogen 3.035 N/A GLU 552.A N LYS 548.A O no hydrogen 2.921 N/A ILE 553.A N ASP 549.A O no hydrogen 2.915 N/A LYS 554.A N MET 550.A O no hydrogen 3.038 N/A LYS 554.A NZ ASP 560.A OD1 no hydrogen 2.476 N/A LYS 554.A NZ THR 652.A OG1 no hydrogen 2.742 N/A VAL 555.A N ALA 551.A O no hydrogen 2.963 N/A LEU 556.A N GLU 552.A O no hydrogen 2.932 N/A PHE 557.A N ILE 553.A O no hydrogen 2.922 N/A GLU 562.A N ASN 559.A OD1 no hydrogen 2.985 N/A SER 563.A N ASN 559.A O no hydrogen 2.930 N/A ASN 564.A N ASP 560.A O no hydrogen 3.006 N/A ASN 564.A ND2 PRO 628.A O no hydrogen 2.921 N/A GLU 565.A N GLN 561.A O no hydrogen 3.031 N/A GLN 566.A N GLU 562.A O no hydrogen 3.057 N/A LEU 567.A N SER 563.A O no hydrogen 2.894 N/A CYS 568.A N ASN 564.A O no hydrogen 2.909 N/A CYS 568.A SG ASN 564.A O no hydrogen 3.418 N/A ALA 569.A N GLU 565.A O no hydrogen 3.034 N/A TYR 570.A N GLN 566.A O no hydrogen 2.907 N/A TYR 570.A OH ASP 549.A OD2 no hydrogen 2.617 N/A ILE 571.A N LEU 567.A O no hydrogen 2.921 N/A LEU 572.A N CYS 568.A O no hydrogen 3.231 N/A LEU 572.A N ALA 569.A O no hydrogen 3.129 N/A GLY 573.A N TYR 570.A O no hydrogen 3.137 N/A ARG 580.A N MET 576.A O no hydrogen 2.887 N/A ARG 580.A NE GLU 552.A OE2 no hydrogen 2.801 N/A ARG 580.A NH2 GLU 552.A OE1 no hydrogen 3.039 N/A ARG 580.A NH2 GLU 552.A OE2 no hydrogen 3.479 N/A GLU 581.A N GLU 577.A O no hydrogen 3.002 N/A LYS 582.A N ALA 578.A O no hydrogen 2.925 N/A CYS 583.A N ARG 580.A O no hydrogen 3.205 N/A CYS 583.A SG LEU 556.A O no hydrogen 3.879 N/A SER 590.A OG ASN 145.A OD1 no hydrogen 2.875 N/A SER 591.A OG TYR 537.A OH no hydrogen 2.716 N/A LYS 595.A NZ PRO 650.A O no hydrogen 2.718 N/A THR 596.A N LEU 534.A O no hydrogen 2.731 N/A THR 596.A OG1 TRP 514.A O no hydrogen 2.600 N/A LEU 600.A N LYS 644.A O no hydrogen 3.080 N/A ALA 604.A N CYS 601.A O no hydrogen 3.323 N/A THR 606.A N ALA 604.A O no hydrogen 3.102 N/A ARG 609.A N THR 606.A OG1 no hydrogen 2.923 N/A ARG 609.A NH1 THR 622.A O no hydrogen 3.454 N/A ARG 609.A NH2 THR 622.A O no hydrogen 2.644 N/A VAL 610.A N THR 606.A O no hydrogen 2.957 N/A HIS 611.A N PRO 607.A O no hydrogen 3.015 N/A ARG 612.A N GLU 608.A O no hydrogen 3.003 N/A LEU 613.A N ARG 609.A O no hydrogen 3.029 N/A ARG 614.A N VAL 610.A O no hydrogen 3.011 N/A ARG 614.A NH1 TYR 570.A O no hydrogen 2.468 N/A SER 615.A N HIS 611.A O no hydrogen 2.954 N/A SER 615.A OG HIS 611.A O no hydrogen 3.180 N/A SER 615.A OG ARG 612.A O no hydrogen 3.174 N/A ASN 616.A N ARG 612.A O no hydrogen 3.156 N/A ASN 616.A N LEU 613.A O no hydrogen 3.225 N/A ASN 617.A N ARG 614.A O no hydrogen 3.274 N/A VAL 618.A N LEU 613.A O no hydrogen 3.450 N/A VAL 621.A N ASN 636.A O no hydrogen 3.081 N/A VAL 623.A N GLN 638.A O no hydrogen 2.966 N/A THR 627.A N CYS 624.A O no hydrogen 3.050 N/A HIS 632.A ND1 LYS 633.A O no hydrogen 3.104 N/A ASN 636.A ND2 GLU 620.A OE2 no hydrogen 3.412 N/A VAL 637.A N ILE 634.A O no hydrogen 3.172 N/A GLN 638.A N VAL 621.A O no hydrogen 3.024 N/A VAL 640.A N VAL 623.A O no hydrogen 2.887 N/A CYS 642.A N SER 625.A OG no hydrogen 3.277 N/A CYS 642.A SG SER 626.A OG no hydrogen 3.548 N/A CYS 642.A SG LYS 644.A O no hydrogen 3.091 N/A ASN 649.A ND2 ASP 430.A OD1 no hydrogen 3.117 N/A HIS 651.A N ASN 649.A OD1 no hydrogen 3.051 N/A HIS 651.A ND1 ASP 560.A OD2 no hydrogen 3.070 N/A VAL 656.A N LEU 146.A O no hydrogen 2.815 N/A ALA 658.A N ARG 144.A O no hydrogen 3.234 N/A LYS 660.A N PRO 657.A O no hydrogen 3.072 N/A TYR 661.A N ALA 658.A O no hydrogen 2.845 N/A ILE 662.A N ARG 659.A O no hydrogen 2.832 N/A