Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLY 22.A O no hydrogen 3.021 N/A ARG 5.A N TYR 24.A O no hydrogen 2.765 N/A ARG 5.A NH1 VAL 18.A O no hydrogen 2.583 N/A VAL 7.A N TRP 26.A O no hydrogen 3.204 N/A ARG 8.A NH1 ASP 28.A OD2 no hydrogen 2.998 N/A LEU 9.A N ASP 28.A O no hydrogen 3.204 N/A SER 13.A N GLN 10.A O no hydrogen 2.961 N/A VAL 15.A N GLY 110.A O no hydrogen 2.880 N/A ALA 17.A N PHE 112.A O no hydrogen 2.840 N/A TYR 19.A N THR 114.A O no hydrogen 2.841 N/A LEU 21.A N ILE 116.A O no hydrogen 2.894 N/A THR 23.A N VAL 20.A O no hydrogen 3.201 N/A THR 23.A OG1 VAL 20.A O no hydrogen 2.824 N/A TYR 24.A N ARG 3.A O no hydrogen 2.945 N/A LEU 25.A N VAL 79.A O no hydrogen 2.966 N/A TRP 26.A N ARG 5.A O no hydrogen 2.876 N/A TRP 26.A NE1 THR 6.A OG1 no hydrogen 2.420 N/A THR 27.A N LEU 77.A O no hydrogen 2.806 N/A THR 27.A OG1 VAL 7.A O no hydrogen 3.319 N/A TYR 30.A N ASP 28.A OD1 no hydrogen 2.678 N/A SER 31.A N ASP 28.A OD1 no hydrogen 2.996 N/A SER 31.A OG ASP 28.A OD2 no hydrogen 2.651 N/A ALA 33.A N TYR 30.A O no hydrogen 3.159 N/A ALA 37.A N PRO 34.A O no hydrogen 3.173 N/A GLN 38.A N TYR 98.A O no hydrogen 2.741 N/A THR 39.A N TYR 98.A O no hydrogen 3.223 N/A PHE 40.A N TRP 69.A O no hydrogen 2.899 N/A SER 41.A N ASN 96.A O no hydrogen 2.916 N/A SER 41.A OG TYR 98.A OH no hydrogen 2.730 N/A LYS 43.A N THR 94.A O no hydrogen 2.764 N/A HIS 44.A N THR 63.A O no hydrogen 2.839 N/A HIS 44.A ND1 SER 45.A O no hydrogen 2.967 N/A HIS 44.A NE2 VAL 61.A O no hydrogen 2.755 N/A SER 45.A N LYS 92.A O no hydrogen 3.002 N/A SER 45.A OG SER 90.A O no hydrogen 3.143 N/A SER 45.A OG LYS 92.A O no hydrogen 3.489 N/A VAL 48.A N SER 45.A O no hydrogen 3.320 N/A TRP 49.A N THR 80.A O no hydrogen 2.774 N/A GLU 51.A N ARG 78.A O no hydrogen 2.917 N/A VAL 52.A N GLU 59.A O no hydrogen 2.785 N/A VAL 53.A N THR 76.A O no hydrogen 2.859 N/A ARG 54.A N GLU 57.A O no hydrogen 2.839 N/A ASP 55.A N SER 74.A O no hydrogen 3.076 N/A GLU 57.A N ARG 54.A O no hydrogen 2.952 N/A GLU 59.A N VAL 52.A O no hydrogen 2.875 N/A VAL 61.A N VAL 50.A O no hydrogen 3.019 N/A TRP 69.A N PHE 40.A O no hydrogen 2.950 N/A LEU 71.A N GLN 38.A O no hydrogen 2.952 N/A SER 72.A OG SER 74.A OG no hydrogen 3.104 N/A SER 74.A N SER 72.A OG no hydrogen 3.125 N/A SER 74.A OG ASP 55.A OD1 no hydrogen 3.011 N/A SER 74.A OG SER 72.A OG no hydrogen 3.104 N/A THR 75.A N SER 72.A O no hydrogen 3.092 N/A THR 76.A N VAL 53.A O no hydrogen 2.915 N/A LEU 77.A N THR 27.A O no hydrogen 2.924 N/A ARG 78.A N GLU 51.A O no hydrogen 2.914 N/A ARG 78.A NE GLU 51.A OE1 no hydrogen 3.065 N/A ARG 78.A NH2 GLU 51.A OE1 no hydrogen 3.528 N/A ARG 78.A NH2 GLU 51.A OE2 no hydrogen 3.115 N/A VAL 79.A N LEU 25.A O no hydrogen 2.876 N/A THR 80.A N TRP 49.A O no hydrogen 2.903 N/A MET 81.A N TYR 19.A OH no hydrogen 2.952 N/A SER 85.A N ALA 115.A O no hydrogen 2.774 N/A SER 85.A OG ASP 91.A OD2 no hydrogen 2.590 N/A THR 86.A N SER 89.A OG no hydrogen 2.883 N/A ALA 88.A N THR 86.A OG1 no hydrogen 3.232 N/A SER 89.A N THR 86.A O no hydrogen 3.169 N/A LYS 92.A N SER 45.A OG no hydrogen 3.014 N/A VAL 93.A N LEU 111.A O no hydrogen 2.895 N/A THR 94.A N LYS 43.A O no hydrogen 2.768 N/A VAL 95.A N ALA 109.A O no hydrogen 2.731 N/A ASN 96.A N SER 41.A O no hydrogen 2.888 N/A TYR 97.A N ASP 107.A O no hydrogen 3.020 N/A TYR 97.A OH VAL 29.A O no hydrogen 2.562 N/A TYR 98.A N THR 39.A O no hydrogen 2.967 N/A TYR 98.A OH SER 41.A OG no hydrogen 2.730 N/A ILE 106.A N TYR 97.A O no hydrogen 2.720 N/A GLN 108.A N ASP 107.A OD1 no hydrogen 2.677 N/A GLN 108.A NE2 ASN 96.A OD1 no hydrogen 2.933 N/A ALA 109.A N VAL 95.A O no hydrogen 2.895 N/A LEU 111.A N VAL 93.A O no hydrogen 2.770 N/A PHE 112.A N VAL 15.A O no hydrogen 2.800 N/A LEU 113.A N ASP 91.A O no hydrogen 2.872 N/A THR 114.A N ALA 17.A O no hydrogen 3.039 N/A ALA 115.A N SER 85.A OG no hydrogen 2.739 N/A ILE 116.A N TYR 19.A O no hydrogen 2.924 N/A GLU 117.A N LYS 189.A O no hydrogen 2.906 N/A SER 119.A N ARG 187.A O no hydrogen 2.864 N/A SER 119.A OG ASP 121.A OD1 no hydrogen 2.606 N/A LEU 120.A N ASP 288.A OD2 no hydrogen 2.905 N/A ASP 121.A N ILE 185.A O no hydrogen 2.791 N/A ALA 124.A N GLU 131.A OE2 no hydrogen 3.008 N/A ASP 125.A N GLU 131.A OE2 no hydrogen 2.965 N/A ARG 126.A NE GLY 148.A O no hydrogen 2.790 N/A ARG 126.A NH1 THR 141.A O no hydrogen 3.261 N/A ARG 126.A NH2 THR 141.A O no hydrogen 3.001 N/A ARG 126.A NH2 GLY 148.A O no hydrogen 3.122 N/A ASP 127.A N ASP 123.A OD1 no hydrogen 3.109 N/A GLY 128.A N ASP 123.A OD2 no hydrogen 2.891 N/A VAL 129.A N ASP 127.A OD2 no hydrogen 3.102 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.688 N/A ASN 133.A N ASP 121.A OD1 no hydrogen 3.069 N/A ASN 134.A ND2 GLU 131.A OE2 no hydrogen 2.796 N/A ASN 134.A ND2 GLN 147.A OE1 no hydrogen 3.030 N/A LYS 136.A N ASN 134.A OD1 no hydrogen 2.858 N/A LYS 137.A N ASN 134.A O no hydrogen 3.051 N/A LYS 137.A NZ LEU 120.A O no hydrogen 2.769 N/A LYS 137.A NZ ASP 121.A OD1 no hydrogen 3.503 N/A LYS 137.A NZ ASN 133.A OD1 no hydrogen 2.893 N/A LYS 137.A NZ ASP 288.A OD2 no hydrogen 2.688 N/A SER 139.A N LYS 136.A O no hydrogen 3.156 N/A SER 139.A OG LYS 136.A O no hydrogen 3.457 N/A TRP 140.A NE1 ALA 149.A O no hydrogen 3.106 N/A THR 141.A N GLN 147.A O no hydrogen 2.739 N/A THR 141.A OG1 GLN 147.A O no hydrogen 3.409 N/A GLY 143.A N TRP 652.A O no hydrogen 2.952 N/A GLY 146.A N GLY 143.A O no hydrogen 2.742 N/A GLN 147.A N THR 141.A OG1 no hydrogen 2.798 N/A GLN 147.A NE2 GLY 146.A O no hydrogen 3.149 N/A GLY 148.A N ALA 124.A O no hydrogen 2.792 N/A LEU 151.A N ARG 293.A O no hydrogen 2.884 N/A ASN 154.A N GLY 254.A O no hydrogen 2.952 N/A ASN 154.A ND2 ASP 177.A OD1 no hydrogen 2.932 N/A ASN 154.A ND2 ASP 177.A OD2 no hydrogen 3.426 N/A ASN 154.A ND2 GLU 253.A OE1 no hydrogen 2.976 N/A CYS 155.A SG VAL 153.A O no hydrogen 3.702 N/A ARG 157.A N GLY 378.A O no hydrogen 3.061 N/A ARG 157.A NH1 LEU 162.A O no hydrogen 3.385 N/A GLU 158.A N ASP 166.A OD2 no hydrogen 3.124 N/A ASP 166.A N ASP 156.A O no hydrogen 2.813 N/A CYS 167.A N ASN 154.A O no hydrogen 3.041 N/A CYS 167.A SG ASN 154.A O no hydrogen 3.190 N/A ARG 168.A N GLU 165.A O no hydrogen 3.172 N/A ARG 168.A NE GLU 165.A OE1 no hydrogen 2.903 N/A LYS 171.A N ASP 169.A OD1 no hydrogen 3.128 N/A LYS 171.A NZ TYR 173.A OH no hydrogen 3.431 N/A GLU 176.A N SER 174.A OG no hydrogen 2.801 N/A ASP 177.A N SER 174.A O no hydrogen 3.240 N/A LEU 178.A N LYS 175.A O no hydrogen 3.195 N/A LYS 179.A N GLU 176.A O no hydrogen 3.128 N/A LYS 179.A NZ GLU 176.A OE1 no hydrogen 2.494 N/A LYS 179.A NZ GLU 176.A OE2 no hydrogen 3.353 N/A ASP 180.A N ASP 177.A O no hydrogen 2.924 N/A MET 181.A N LEU 178.A O no hydrogen 3.086 N/A SER 182.A N VAL 252.A O no hydrogen 2.951 N/A SER 182.A OG ILE 150.A O no hydrogen 2.660 N/A MET 184.A N PHE 250.A O no hydrogen 2.918 N/A ILE 185.A N ASP 121.A O no hydrogen 2.927 N/A LEU 186.A N LEU 248.A O no hydrogen 2.868 N/A ARG 187.A N SER 119.A O no hydrogen 2.769 N/A ARG 187.A NE GLU 247.A OE2 no hydrogen 2.758 N/A ARG 187.A NH1 ASP 121.A OD2 no hydrogen 2.435 N/A ARG 187.A NH1 GLU 131.A O no hydrogen 3.240 N/A ARG 187.A NH2 VAL 130.A O no hydrogen 3.054 N/A THR 188.A N ALA 246.A O no hydrogen 2.838 N/A LYS 189.A N GLU 117.A O no hydrogen 3.165 N/A LYS 189.A NZ SER 245.A OG no hydrogen 3.286 N/A GLY 190.A N GLY 244.A O no hydrogen 3.296 N/A ASP 192.A N GLU 87.A OE2 no hydrogen 2.893 N/A GLU 199.A N LEU 273.A O no hydrogen 3.103 N/A VAL 201.A N SER 271.A O no hydrogen 2.867 N/A LEU 202.A N HIS 237.A O no hydrogen 2.958 N/A TYR 203.A N HIS 269.A O no hydrogen 2.807 N/A ILE 204.A N LEU 235.A O no hydrogen 2.865 N/A ASP 208.A N SER 205.A OG no hydrogen 3.073 N/A SER 209.A N MET 206.A O no hydrogen 3.186 N/A SER 209.A OG MET 206.A O no hydrogen 2.639 N/A LYS 211.A N ASP 208.A O no hydrogen 2.826 N/A LYS 211.A NZ SER 207.A O no hydrogen 3.105 N/A LYS 211.A NZ ASP 210.A OD1 no hydrogen 3.004 N/A GLY 213.A N GLU 253.A O no hydrogen 2.943 N/A VAL 214.A N LEU 230.A O no hydrogen 2.843 N/A PHE 215.A N PHE 251.A O no hydrogen 2.861 N/A TYR 216.A N ILE 227.A O no hydrogen 2.729 N/A GLU 218.A N ARG 225.A O no hydrogen 2.885 N/A GLY 223.A N PRO 220.A O no hydrogen 3.133 N/A GLN 224.A NE2 ASN 219.A OD1 no hydrogen 3.059 N/A ARG 225.A N GLU 218.A O no hydrogen 2.912 N/A TYR 226.A OH GLN 224.A OE1 no hydrogen 2.769 N/A ILE 227.A N TYR 216.A O no hydrogen 2.731 N/A ILE 229.A N VAL 214.A O no hydrogen 2.801 N/A LEU 230.A N VAL 214.A O no hydrogen 3.460 N/A GLY 231.A N LYS 234.A O no hydrogen 3.030 N/A ARG 232.A NH1 CYS 167.A O no hydrogen 3.105 N/A ARG 232.A NH1 ASP 169.A O no hydrogen 3.404 N/A ARG 232.A NH1 GLU 170.A OE2 no hydrogen 2.883 N/A ARG 232.A NH2 CYS 167.A O no hydrogen 2.988 N/A LYS 234.A N GLY 231.A O no hydrogen 2.884 N/A LYS 234.A NZ ILE 229.A O no hydrogen 3.045 N/A HIS 237.A N LEU 202.A O no hydrogen 2.769 N/A VAL 239.A N ILE 200.A O no hydrogen 2.850 N/A TYR 241.A OH PRO 191.A O no hydrogen 2.704 N/A GLY 244.A N GLY 190.A O no hydrogen 2.870 N/A ALA 246.A N THR 188.A O no hydrogen 2.770 N/A LEU 248.A N LEU 186.A O no hydrogen 2.874 N/A PHE 250.A N MET 184.A O no hydrogen 2.759 N/A PHE 251.A N PHE 215.A O no hydrogen 2.903 N/A VAL 252.A N SER 182.A O no hydrogen 2.802 N/A GLU 253.A N GLY 213.A O no hydrogen 2.813 N/A GLY 254.A N LEU 152.A O no hydrogen 2.968 N/A LEU 255.A N LYS 211.A O no hydrogen 2.831 N/A CYS 256.A SG PHE 257.A O no hydrogen 3.353 N/A ASP 259.A N PHE 262.A O no hydrogen 3.024 N/A GLU 260.A N ASP 259.A OD1 no hydrogen 2.694 N/A PHE 262.A N ASP 259.A O no hydrogen 2.865 N/A LEU 265.A N SER 263.A OG no hydrogen 2.997 N/A VAL 266.A N PHE 292.A O no hydrogen 2.805 N/A SER 267.A N ASP 208.A OD2 no hydrogen 3.205 N/A ILE 268.A N VAL 290.A O no hydrogen 3.083 N/A HIS 269.A N TYR 203.A O no hydrogen 2.943 N/A HIS 269.A ND1 THR 289.A OG1 no hydrogen 2.711 N/A VAL 270.A N ASP 288.A O no hydrogen 2.931 N/A SER 271.A N VAL 201.A O no hydrogen 2.837 N/A SER 271.A OG PHE 286.A O no hydrogen 3.538 N/A SER 271.A OG THR 287.A OG1 no hydrogen 2.570 N/A LEU 272.A N PHE 286.A O no hydrogen 2.918 N/A LEU 273.A N GLU 199.A O no hydrogen 2.742 N/A GLU 274.A N THR 283.A O no hydrogen 2.756 N/A TYR 275.A N GLY 197.A O no hydrogen 2.733 N/A ILE 280.A N ALA 277.A O no hydrogen 3.281 N/A THR 283.A N GLU 274.A O no hydrogen 2.973 N/A THR 287.A OG1 SER 271.A OG no hydrogen 2.570 N/A ASP 288.A N VAL 270.A O no hydrogen 2.874 N/A THR 289.A OG1 HIS 269.A ND1 no hydrogen 2.711 N/A VAL 290.A N ILE 268.A O no hydrogen 3.053 N/A ILE 291.A N LYS 137.A O no hydrogen 2.990 N/A PHE 292.A N VAL 266.A O no hydrogen 2.973 N/A ARG 293.A N ALA 149.A O no hydrogen 2.916 N/A ARG 293.A NH1 SER 263.A O no hydrogen 3.002 N/A ILE 294.A N GLY 264.A O no hydrogen 2.729 N/A ALA 295.A N LEU 151.A O no hydrogen 2.737 N/A TRP 297.A N GLN 445.A OE1 no hydrogen 2.828 N/A TRP 297.A NE1 VAL 361.A O no hydrogen 3.003 N/A ILE 298.A N TYR 351.A O no hydrogen 3.155 N/A MET 299.A N GLN 448.A OE1 no hydrogen 2.752 N/A ASN 302.A ND2 PHE 469.A O no hydrogen 3.435 N/A LEU 304.A N PRO 301.A O no hydrogen 3.249 N/A VAL 307.A N ARG 643.A O no hydrogen 2.621 N/A SER 308.A N ARG 643.A O no hydrogen 3.114 N/A SER 308.A OG GLU 334.A OE2 no hydrogen 2.924 N/A VAL 309.A N GLU 334.A O no hydrogen 2.877 N/A PHE 310.A N ASN 641.A O no hydrogen 2.800 N/A VAL 311.A N LYS 336.A O no hydrogen 2.851 N/A CYS 312.A N.A GLY 639.A O no hydrogen 2.928 N/A CYS 312.A N.B GLY 639.A O no hydrogen 2.915 N/A CYS 312.A SG.A ASP 340.A O no hydrogen 2.957 N/A CYS 312.A SG.A GLY 639.A O no hydrogen 3.924 N/A CYS 313.A N CYS 338.A O no hydrogen 3.311 N/A CYS 313.A SG MET 314.A O no hydrogen 3.517 N/A ASN 317.A N MET 314.A O no hydrogen 3.117 N/A ASN 317.A ND2 ASP 625.A O no hydrogen 2.995 N/A LEU 321.A N ASN 317.A O no hydrogen 3.270 N/A LYS 322.A N TYR 318.A O no hydrogen 2.747 N/A GLU 323.A N LEU 319.A O no hydrogen 2.898 N/A VAL 324.A N PHE 320.A O no hydrogen 2.879 N/A LYS 325.A N LEU 321.A O no hydrogen 3.008 N/A LYS 325.A NZ GLU 329.A OE2 no hydrogen 2.792 N/A ASN 326.A N LYS 322.A O no hydrogen 2.923 N/A LEU 327.A N GLU 323.A O no hydrogen 3.010 N/A VAL 328.A N VAL 324.A O no hydrogen 2.876 N/A GLU 329.A N LYS 325.A O no hydrogen 2.883 N/A LYS 330.A N ASN 326.A O no hydrogen 3.271 N/A LYS 330.A N LEU 327.A O no hydrogen 3.028 N/A LYS 330.A NZ ASP 588.A OD1 no hydrogen 2.901 N/A LYS 330.A NZ GLU 619.A OE1 no hydrogen 2.551 N/A THR 331.A N VAL 328.A O no hydrogen 2.834 N/A THR 331.A OG1 VAL 328.A O no hydrogen 2.656 N/A CYS 333.A N THR 331.A OG1 no hydrogen 3.210 N/A CYS 333.A SG PRO 306.A O no hydrogen 3.642 N/A CYS 333.A SG THR 331.A OG1 no hydrogen 3.281 N/A GLU 334.A N VAL 307.A O no hydrogen 3.278 N/A LYS 336.A N VAL 309.A O no hydrogen 2.913 N/A CYS 338.A N VAL 311.A O no hydrogen 2.855 N/A CYS 338.A SG PHE 339.A O no hydrogen 3.906 N/A GLU 346.A N TRP 342.A O no hydrogen 2.508 N/A GLU 348.A N LEU 363.A O no hydrogen 3.121 N/A GLY 350.A N VAL 361.A O no hydrogen 2.810 N/A TYR 351.A N ILE 298.A O no hydrogen 2.941 N/A ILE 352.A N PHE 359.A O no hydrogen 3.012 N/A ALA 354.A N LYS 357.A O no hydrogen 2.691 N/A LYS 357.A N ALA 354.A O no hydrogen 3.281 N/A LYS 357.A NZ ASP 180.A OD1 no hydrogen 2.604 N/A LYS 357.A NZ ASP 380.A OD1 no hydrogen 2.803 N/A LYS 357.A NZ ASP 380.A OD2 no hydrogen 3.236 N/A PHE 359.A N ILE 352.A O no hydrogen 3.122 N/A VAL 361.A N GLY 350.A O no hydrogen 2.801 N/A VAL 362.A N GLY 382.A O no hydrogen 2.852 N/A LEU 363.A N GLU 348.A O no hydrogen 2.963 N/A ASP 364.A N VAL 384.A O no hydrogen 2.855 N/A SER 365.A N GLU 346.A O no hydrogen 2.705 N/A SER 365.A OG.A ASP 397.A O no hydrogen 2.687 N/A ARG 367.A N GLU 387.A OE1 no hydrogen 3.117 N/A LYS 369.A NZ ASP 364.A OD2 no hydrogen 2.364 N/A LYS 369.A NZ SER 365.A O no hydrogen 2.286 N/A VAL 373.A N ASP 364.A OD1 no hydrogen 3.188 N/A LYS 374.A NZ GLU 165.A OE2 no hydrogen 3.219 N/A LEU 376.A N VAL 373.A O no hydrogen 3.195 N/A LEU 377.A N LYS 374.A O no hydrogen 3.169 N/A GLY 378.A N PHE 381.A O no hydrogen 3.133 N/A ASP 380.A N ASP 156.A OD2 no hydrogen 2.812 N/A PHE 381.A N GLY 378.A O no hydrogen 3.103 N/A GLY 382.A N PRO 360.A O no hydrogen 2.893 N/A TYR 383.A N CYS 155.A O no hydrogen 3.087 N/A TYR 383.A OH ASP 364.A OD1 no hydrogen 2.909 N/A VAL 384.A N VAL 362.A O no hydrogen 2.838 N/A THR 385.A OG1 ASP 364.A O no hydrogen 2.742 N/A ARG 386.A NE ASP 259.A OD2 no hydrogen 2.541 N/A ARG 386.A NH1 THR 385.A O no hydrogen 2.816 N/A ARG 386.A NH2 ASP 259.A OD2 no hydrogen 2.894 N/A THR 394.A N ASP 397.A OD1 no hydrogen 2.875 N/A SER 395.A OG VAL 460.A O no hydrogen 2.600 N/A SER 395.A OG HIS 462.A NE2 no hydrogen 3.297 N/A LEU 396.A N THR 394.A OG1 no hydrogen 3.225 N/A ASP 397.A N THR 394.A O no hydrogen 2.969 N/A SER 398.A N SER 395.A O no hydrogen 3.155 N/A SER 398.A OG ASP 345.A O no hydrogen 3.516 N/A SER 398.A OG ASP 345.A OD1 no hydrogen 2.563 N/A PHE 399.A N ASP 345.A O no hydrogen 2.679 N/A GLY 400.A N SER 398.A OG no hydrogen 3.373 N/A ASN 401.A N SER 398.A O no hydrogen 2.872 N/A ASN 401.A ND2 LEU 396.A O no hydrogen 2.985 N/A ASN 401.A ND2 GLY 423.A O no hydrogen 2.969 N/A LEU 402.A N PHE 399.A O no hydrogen 3.108 N/A GLU 403.A N LEU 421.A O no hydrogen 2.969 N/A SER 405.A N ARG 419.A O no hydrogen 2.949 N/A SER 405.A OG PRO 406.A O no hydrogen 2.865 N/A SER 405.A OG ARG 419.A O no hydrogen 3.530 N/A VAL 408.A N TYR 415.A O no hydrogen 3.220 N/A VAL 410.A N LYS 413.A O no hydrogen 2.799 N/A LYS 413.A N VAL 410.A O no hydrogen 2.957 N/A TYR 415.A N VAL 408.A O no hydrogen 2.660 N/A GLY 418.A N TYR 415.A O no hydrogen 3.007 N/A ARG 419.A N SER 405.A OG no hydrogen 2.849 N/A ARG 419.A NE ALA 449.A O no hydrogen 2.862 N/A ARG 419.A NH1 GLU 549.A O no hydrogen 3.117 N/A ARG 419.A NH1 GLU 549.A OE1 no hydrogen 3.092 N/A ARG 419.A NH2 ALA 449.A O no hydrogen 3.149 N/A ILE 420.A N GLN 448.A O no hydrogen 2.881 N/A LEU 421.A N GLU 403.A O no hydrogen 2.747 N/A ILE 422.A N VAL 451.A O no hydrogen 3.070 N/A GLY 423.A N ASN 401.A OD1 no hydrogen 3.048 N/A SER 424.A N LEU 453.A O no hydrogen 2.715 N/A SER 424.A OG SER 425.A O no hydrogen 3.369 N/A SER 424.A OG GLU 452.A OE2 no hydrogen 3.371 N/A SER 425.A N SER 424.A OG no hydrogen 2.623 N/A SER 425.A OG ARG 432.A O no hydrogen 2.529 N/A SER 429.A N PHE 426.A O no hydrogen 3.080 N/A SER 429.A OG PHE 426.A O no hydrogen 2.654 N/A GLY 431.A N SER 429.A OG no hydrogen 2.898 N/A ARG 432.A N ASP 456.A OD1 no hydrogen 3.083 N/A ARG 432.A NE ASP 456.A OD2 no hydrogen 2.589 N/A ARG 432.A NH1 THR 459.A O no hydrogen 3.115 N/A ARG 432.A NH2 ASP 456.A OD2 no hydrogen 2.880 N/A ARG 432.A NH2 LEU 458.A O no hydrogen 2.760 N/A ARG 432.A NH2 THR 459.A O no hydrogen 3.201 N/A ARG 433.A NE GLU 452.A OE2 no hydrogen 2.984 N/A ARG 433.A NH2 GLU 452.A OE1 no hydrogen 2.917 N/A THR 435.A N ASP 397.A OD2 no hydrogen 2.707 N/A THR 435.A OG1 ASP 397.A OD2 no hydrogen 2.902 N/A LYS 436.A N GLU 391.A OE1 no hydrogen 2.884 N/A LYS 436.A NZ ASP 440.A OD1 no hydrogen 3.495 N/A LYS 436.A NZ ASP 440.A OD2 no hydrogen 2.600 N/A VAL 438.A N THR 435.A O no hydrogen 3.187 N/A ARG 439.A N THR 435.A O no hydrogen 3.114 N/A ARG 439.A NE MET 434.A O no hydrogen 2.831 N/A ASP 440.A N LYS 436.A O no hydrogen 2.721 N/A PHE 441.A N VAL 437.A O no hydrogen 3.268 N/A LEU 442.A N VAL 438.A O no hydrogen 2.995 N/A LYS 443.A N ARG 439.A O no hydrogen 3.011 N/A ALA 444.A N ASP 440.A O no hydrogen 2.909 N/A GLN 445.A N LEU 442.A O no hydrogen 3.264 N/A GLN 445.A NE2 PRO 258.A O no hydrogen 2.860 N/A GLN 445.A NE2 PHE 441.A O no hydrogen 2.834 N/A GLN 446.A N LYS 443.A O no hydrogen 3.116 N/A VAL 447.A N GLN 445.A O no hydrogen 2.795 N/A GLN 448.A NE2 MET 299.A O no hydrogen 2.858 N/A GLN 448.A NE2 LEU 417.A O no hydrogen 2.816 N/A ALA 449.A N GLN 446.A O no hydrogen 3.287 N/A VAL 451.A N ILE 420.A O no hydrogen 2.789 N/A LEU 453.A N ILE 422.A O no hydrogen 2.733 N/A TYR 454.A N ASN 542.A OD1 no hydrogen 2.762 N/A SER 455.A N SER 424.A O no hydrogen 2.993 N/A SER 455.A OG ASN 401.A OD1 no hydrogen 3.505 N/A SER 455.A OG GLY 461.A O no hydrogen 2.597 N/A ASP 456.A N SER 424.A O no hydrogen 3.218 N/A TRP 457.A NE1 TYR 454.A O no hydrogen 2.993 N/A LEU 458.A N SER 455.A O no hydrogen 3.072 N/A THR 459.A N ALA 572.A O no hydrogen 2.774 N/A THR 459.A OG1 ASP 567.A OD2 no hydrogen 2.689 N/A THR 459.A OG1 ALA 572.A O no hydrogen 3.249 N/A HIS 462.A N GLU 465.A OE2 no hydrogen 2.965 N/A HIS 462.A NE2 SER 395.A O no hydrogen 2.863 N/A VAL 463.A N ASN 401.A OD1 no hydrogen 3.114 N/A ASP 464.A N GLY 400.A O no hydrogen 3.258 N/A GLU 465.A N HIS 462.A O no hydrogen 3.231 N/A PHE 466.A N VAL 463.A O no hydrogen 3.222 N/A MET 467.A N VAL 463.A O no hydrogen 3.257 N/A SER 468.A N LEU 481.A O no hydrogen 3.015 N/A SER 468.A OG.A PHE 469.A O no hydrogen 3.559 N/A SER 468.A OG.B VAL 580.A O no hydrogen 2.978 N/A VAL 470.A N LEU 479.A O no hydrogen 3.041 N/A ILE 472.A N LYS 477.A O no hydrogen 2.964 N/A THR 475.A N ILE 472.A O no hydrogen 3.100 N/A THR 475.A OG1 ILE 472.A O no hydrogen 2.645 N/A LYS 477.A N THR 475.A OG1 no hydrogen 2.974 N/A LEU 479.A N VAL 470.A O no hydrogen 2.851 N/A LEU 480.A N ASP 556.A O no hydrogen 2.789 N/A LEU 481.A N SER 468.A O no hydrogen 2.806 N/A MET 482.A N ILE 558.A O no hydrogen 2.939 N/A ALA 483.A N PHE 466.A O no hydrogen 2.899 N/A SER 484.A N LEU 560.A O no hydrogen 2.659 N/A SER 484.A OG GLN 536.A OE1 no hydrogen 3.269 N/A THR 485.A OG1 ASN 532.A O no hydrogen 2.846 N/A THR 485.A OG1 GLN 536.A OE1 no hydrogen 3.444 N/A SER 486.A N GLN 536.A OE1 no hydrogen 3.045 N/A SER 486.A OG SER 484.A OG no hydrogen 3.314 N/A SER 486.A OG GLN 536.A OE1 no hydrogen 3.457 N/A ALA 487.A N SER 484.A OG no hydrogen 2.908 N/A TYR 489.A N THR 485.A O no hydrogen 2.938 N/A LYS 490.A N SER 486.A O no hydrogen 2.964 N/A LEU 491.A N ALA 487.A O no hydrogen 3.228 N/A PHE 492.A N CYS 488.A O no hydrogen 2.994 N/A ARG 493.A N TYR 489.A O no hydrogen 2.989 N/A GLU 494.A N LYS 490.A O no hydrogen 3.035 N/A LYS 495.A N LEU 491.A O no hydrogen 2.903 N/A GLN 496.A N PHE 492.A O no hydrogen 2.881 N/A GLN 496.A NE2 ASN 520.A OD1 no hydrogen 2.780 N/A LYS 497.A N ARG 493.A O no hydrogen 3.031 N/A ASP 498.A N GLU 494.A O no hydrogen 2.962 N/A GLY 499.A N GLN 496.A O no hydrogen 2.936 N/A HIS 500.A N LYS 495.A O no hydrogen 2.883 N/A ALA 503.A N HIS 500.A O no hydrogen 2.906 N/A MET 505.A N ILE 517.A O no hydrogen 2.685 N/A PHE 506.A N PHE 595.A O no hydrogen 2.878 N/A LEU 509.A N PHE 506.A O no hydrogen 3.051 N/A GLY 511.A N HIS 630.A O no hydrogen 2.731 N/A MET 512.A N LEU 509.A O no hydrogen 2.962 N/A SER 513.A N GLY 510.A O no hydrogen 3.395 N/A SER 513.A OG LEU 509.A O no hydrogen 3.538 N/A SER 513.A OG GLY 510.A O no hydrogen 3.520 N/A LYS 515.A N MET 512.A O no hydrogen 3.088 N/A ARG 516.A N SER 513.A O no hydrogen 2.993 N/A ARG 516.A NH1 GLU 502.A OE1 no hydrogen 3.138 N/A ILE 519.A N ALA 503.A O no hydrogen 3.169 N/A ASN 520.A N GLY 501.A O no hydrogen 2.810 N/A ASN 520.A ND2 GLU 502.A OE2 no hydrogen 3.051 N/A LYS 521.A N THR 518.A OG1 no hydrogen 3.027 N/A LYS 521.A NZ ARG 516.A O no hydrogen 2.881 N/A ILE 522.A N THR 518.A O no hydrogen 3.070 N/A LEU 523.A N ILE 519.A O no hydrogen 2.894 N/A SER 524.A N ASN 520.A O no hydrogen 3.012 N/A SER 524.A OG ASN 520.A O no hydrogen 3.233 N/A ASN 525.A N ILE 522.A O no hydrogen 3.092 N/A SER 527.A OG ASN 525.A OD1 no hydrogen 3.157 N/A LEU 528.A N ASN 525.A OD1 no hydrogen 3.049 N/A VAL 529.A N ASN 525.A O no hydrogen 3.107 N/A GLN 530.A N GLU 526.A O no hydrogen 3.102 N/A GLU 531.A N SER 527.A O no hydrogen 2.806 N/A ASN 532.A N LEU 528.A O no hydrogen 2.961 N/A ASN 532.A ND2 LEU 528.A O no hydrogen 2.963 N/A ASN 532.A ND2 PHE 564.A O no hydrogen 2.892 N/A LEU 533.A N VAL 529.A O no hydrogen 2.886 N/A TYR 534.A N GLN 530.A O no hydrogen 3.151 N/A PHE 535.A N GLU 531.A O no hydrogen 3.022 N/A GLN 536.A N ASN 532.A O no hydrogen 2.920 N/A GLN 536.A NE2 ASP 540.A OD1 no hydrogen 2.826 N/A ARG 537.A N LEU 533.A O no hydrogen 3.185 N/A CYS 538.A N TYR 534.A O no hydrogen 3.159 N/A CYS 538.A SG TYR 534.A O no hydrogen 3.536 N/A LEU 539.A N PHE 535.A O no hydrogen 2.951 N/A ASP 540.A N GLN 536.A O no hydrogen 2.861 N/A TRP 541.A N ARG 537.A O no hydrogen 3.008 N/A ASN 542.A N CYS 538.A O no hydrogen 3.226 N/A ASN 542.A ND2 TYR 454.A O no hydrogen 2.848 N/A ASN 542.A ND2 CYS 538.A O no hydrogen 2.936 N/A ARG 543.A N LEU 539.A O no hydrogen 2.814 N/A ARG 543.A NE GLU 554.A OE2 no hydrogen 2.770 N/A ARG 543.A NH1 ASP 559.A OD1 no hydrogen 3.302 N/A ARG 543.A NH1 ASP 559.A OD2 no hydrogen 2.931 N/A ARG 543.A NH2 GLU 554.A OE1 no hydrogen 2.758 N/A ARG 543.A NH2 ASP 559.A OD1 no hydrogen 2.929 N/A ASP 544.A N ASP 540.A O no hydrogen 3.024 N/A ILE 545.A N TRP 541.A O no hydrogen 3.248 N/A LEU 546.A N ASN 542.A O no hydrogen 2.931 N/A LYS 547.A N ARG 543.A O no hydrogen 3.024 N/A LYS 547.A NZ GLU 554.A OE2 no hydrogen 2.882 N/A LYS 548.A N ASP 544.A O no hydrogen 2.983 N/A GLU 549.A N ILE 545.A O no hydrogen 2.689 N/A LEU 550.A N LEU 546.A O no hydrogen 2.685 N/A LEU 552.A N LYS 547.A O no hydrogen 2.985 N/A THR 553.A N ASP 556.A OD2 no hydrogen 3.007 N/A THR 553.A OG1 ASP 556.A OD2 no hydrogen 3.550 N/A GLN 555.A N THR 553.A OG1 no hydrogen 3.137 N/A ASP 556.A N THR 553.A O no hydrogen 2.985 N/A ILE 557.A N GLU 554.A O no hydrogen 3.265 N/A ILE 558.A N LEU 480.A O no hydrogen 2.880 N/A LEU 560.A N MET 482.A O no hydrogen 2.848 N/A ALA 562.A N SER 484.A O no hydrogen 2.904 N/A PHE 564.A N ASN 532.A OD1 no hydrogen 2.896 N/A LYS 565.A N ARG 573.A O no hydrogen 2.887 N/A LYS 565.A NZ GLU 531.A OE1 no hydrogen 3.126 N/A LYS 565.A NZ GLU 531.A OE2 no hydrogen 2.944 N/A LYS 565.A NZ MET 566.A O no hydrogen 2.697 N/A MET 566.A N GLU 531.A OE1 no hydrogen 2.926 N/A ASP 567.A N ARG 571.A O no hydrogen 2.924 N/A ASP 569.A N ASP 567.A OD1 no hydrogen 2.801 N/A HIS 570.A N ASP 567.A O no hydrogen 3.126 N/A ARG 571.A N ASP 567.A OD1 no hydrogen 2.994 N/A ARG 571.A NE ASP 456.A O no hydrogen 2.730 N/A ARG 571.A NH2 ASP 456.A OD1 no hydrogen 2.907 N/A ALA 572.A N TRP 457.A O no hydrogen 2.719 N/A ARG 573.A N LYS 565.A O no hydrogen 3.032 N/A PHE 575.A N LEU 563.A O no hydrogen 2.842 N/A ASN 581.A N ASN 578.A O no hydrogen 3.413 N/A ILE 583.A N GLY 590.A O no hydrogen 2.798 N/A LEU 585.A N ASP 588.A O no hydrogen 2.767 N/A LYS 587.A NZ ASP 588.A OD2 no hydrogen 3.244 N/A LYS 587.A NZ GLU 619.A OE2 no hydrogen 2.972 N/A ASP 588.A N LEU 585.A O no hydrogen 2.934 N/A LEU 589.A N GLU 619.A O no hydrogen 2.958 N/A GLY 590.A N ILE 583.A O no hydrogen 2.864 N/A ILE 591.A N THR 621.A O no hydrogen 2.713 N/A LYS 593.A N ILE 623.A O no hydrogen 2.929 N/A VAL 599.A N GLU 602.A O no hydrogen 2.903 N/A GLU 602.A N VAL 599.A O no hydrogen 3.160 N/A CYS 604.A N PRO 597.A O no hydrogen 3.016 N/A CYS 604.A SG PRO 597.A O no hydrogen 3.518 N/A MET 607.A N CYS 603.A O no hydrogen 3.006 N/A HIS 608.A N CYS 604.A O no hydrogen 3.028 N/A VAL 609.A N LEU 605.A O no hydrogen 2.898 N/A ARG 610.A N GLU 606.A O no hydrogen 2.953 N/A ARG 610.A NH1 GLU 614.A OE2 no hydrogen 2.881 N/A ARG 610.A NH1 CYS 620.A O no hydrogen 2.924 N/A ARG 610.A NH2 CYS 620.A O no hydrogen 3.442 N/A GLY 611.A N MET 607.A O no hydrogen 3.102 N/A LEU 612.A N HIS 608.A O no hydrogen 3.166 N/A LEU 612.A N VAL 609.A O no hydrogen 3.137 N/A LEU 613.A N VAL 609.A O no hydrogen 3.053 N/A GLU 614.A N ARG 610.A O no hydrogen 2.838 N/A LEU 616.A N LEU 613.A O no hydrogen 2.904 N/A GLY 617.A N GLU 614.A O no hydrogen 2.927 N/A GLU 619.A N LYS 587.A O no hydrogen 2.923 N/A THR 621.A N LEU 589.A O no hydrogen 2.933 N/A ILE 623.A N ILE 591.A O no hydrogen 2.663 N/A ASP 624.A N GLU 323.A OE1 no hydrogen 2.725 N/A SER 627.A N ASP 624.A OD2 no hydrogen 2.896 N/A SER 627.A OG ASP 624.A OD1 no hydrogen 2.422 N/A SER 627.A OG ASP 624.A OD2 no hydrogen 3.204 N/A TYR 629.A N ILE 626.A O no hydrogen 2.759 N/A HIS 630.A N SER 627.A O no hydrogen 3.010 N/A GLY 639.A N CYS 312.A O.A no hydrogen 3.098 N/A GLY 639.A N CYS 312.A O.B no hydrogen 3.244 N/A ASN 641.A N PHE 310.A O no hydrogen 2.825 N/A ASN 641.A ND2 ILE 343.A O no hydrogen 2.747 N/A ASN 641.A ND2 ILE 347.A O no hydrogen 3.000 N/A ARG 643.A N SER 308.A O no hydrogen 2.786 N/A ARG 644.A NH1 LEU 304.A O no hydrogen 2.920 N/A ARG 644.A NH1 VAL 584.A O no hydrogen 3.280 N/A ARG 644.A NH2 ASN 302.A OD1 no hydrogen 3.347 N/A ARG 644.A NH2 VAL 584.A O no hydrogen 2.706 N/A LYS 645.A N PRO 305.A O no hydrogen 2.841 N/A LYS 650.A NZ GLU 353.A OE2 no hydrogen 2.833 N/A TRP 651.A NE1 GLU 353.A O no hydrogen 2.849 N/A HIS 653.A N LYS 650.A O no hydrogen 2.976 N/A MET 654.A N TRP 651.A O no hydrogen 2.938 N/A