Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N GLY 21.A O no hydrogen 3.086 N/A ARG 4.A N TYR 23.A O no hydrogen 2.722 N/A ARG 4.A NH1 VAL 17.A O no hydrogen 2.723 N/A VAL 6.A N TRP 25.A O no hydrogen 3.045 N/A ARG 7.A NH1 ASP 27.A OD2 no hydrogen 2.934 N/A LEU 8.A N ASP 27.A O no hydrogen 3.210 N/A SER 12.A N GLN 9.A O no hydrogen 3.272 N/A VAL 14.A N GLY 109.A O no hydrogen 2.864 N/A ALA 16.A N PHE 111.A O no hydrogen 2.953 N/A TYR 18.A N THR 113.A O no hydrogen 2.869 N/A LEU 20.A N ILE 115.A O no hydrogen 2.997 N/A THR 22.A N VAL 19.A O no hydrogen 3.138 N/A THR 22.A OG1 VAL 19.A O no hydrogen 2.761 N/A TYR 23.A N ARG 2.A O no hydrogen 2.889 N/A LEU 24.A N VAL 78.A O no hydrogen 2.930 N/A TRP 25.A N ARG 4.A O no hydrogen 2.885 N/A TRP 25.A NE1 THR 5.A OG1 no hydrogen 2.371 N/A THR 26.A N LEU 76.A O no hydrogen 2.870 N/A THR 26.A OG1 VAL 6.A O no hydrogen 3.160 N/A TYR 29.A N ASP 27.A OD1 no hydrogen 2.661 N/A SER 30.A N ASP 27.A OD1 no hydrogen 2.951 N/A SER 30.A OG ASP 27.A OD1 no hydrogen 3.558 N/A SER 30.A OG ASP 27.A OD2 no hydrogen 2.465 N/A ALA 32.A N TYR 29.A O no hydrogen 3.088 N/A ALA 36.A N PRO 33.A O no hydrogen 3.165 N/A GLN 37.A N TYR 97.A O no hydrogen 2.891 N/A GLN 37.A NE2 GLY 35.A O no hydrogen 3.318 N/A THR 38.A N TYR 97.A O no hydrogen 3.400 N/A PHE 39.A N TRP 68.A O no hydrogen 2.938 N/A SER 40.A N ASN 95.A O no hydrogen 2.921 N/A SER 40.A OG TYR 97.A OH no hydrogen 2.637 N/A LYS 42.A N THR 93.A O no hydrogen 2.793 N/A HIS 43.A N THR 62.A O no hydrogen 2.961 N/A HIS 43.A ND1 SER 44.A O no hydrogen 2.871 N/A HIS 43.A NE2 VAL 60.A O no hydrogen 2.711 N/A SER 44.A N LYS 91.A O no hydrogen 3.025 N/A SER 44.A OG SER 89.A O no hydrogen 3.252 N/A SER 44.A OG LYS 91.A O no hydrogen 3.546 N/A VAL 47.A N SER 44.A O no hydrogen 3.379 N/A TRP 48.A N THR 79.A O no hydrogen 2.769 N/A GLU 50.A N ARG 77.A O no hydrogen 2.999 N/A VAL 51.A N GLU 58.A O no hydrogen 2.729 N/A VAL 52.A N THR 75.A O no hydrogen 2.803 N/A ARG 53.A N GLU 56.A O no hydrogen 2.783 N/A ASP 54.A N SER 73.A O no hydrogen 3.395 N/A GLU 56.A N ARG 53.A O no hydrogen 2.902 N/A GLU 58.A N VAL 51.A O no hydrogen 2.852 N/A VAL 60.A N VAL 49.A O no hydrogen 2.848 N/A ASN 63.A ND2 GLY 64.A O no hydrogen 3.226 N/A TRP 68.A N PHE 39.A O no hydrogen 2.930 N/A LEU 70.A N GLN 37.A O no hydrogen 2.868 N/A SER 71.A OG SER 73.A OG no hydrogen 3.108 N/A SER 73.A N SER 71.A OG no hydrogen 3.012 N/A SER 73.A OG ASP 54.A OD1 no hydrogen 3.307 N/A SER 73.A OG SER 71.A OG no hydrogen 3.108 N/A THR 74.A N SER 71.A O no hydrogen 3.140 N/A THR 75.A N VAL 52.A O no hydrogen 2.929 N/A LEU 76.A N THR 26.A O no hydrogen 2.945 N/A ARG 77.A N GLU 50.A O no hydrogen 2.922 N/A ARG 77.A NE GLU 50.A OE1 no hydrogen 2.862 N/A ARG 77.A NH2 GLU 50.A OE2 no hydrogen 3.004 N/A VAL 78.A N LEU 24.A O no hydrogen 2.835 N/A THR 79.A N TRP 48.A O no hydrogen 2.978 N/A MET 80.A N TYR 18.A OH no hydrogen 2.943 N/A SER 84.A N ALA 114.A O no hydrogen 2.825 N/A SER 84.A OG ASP 90.A OD2 no hydrogen 2.529 N/A THR 85.A N SER 88.A OG no hydrogen 2.733 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.075 N/A SER 88.A N THR 85.A O no hydrogen 3.227 N/A SER 88.A OG THR 85.A O no hydrogen 3.197 N/A LYS 91.A N SER 44.A OG no hydrogen 3.068 N/A VAL 92.A N LEU 110.A O no hydrogen 2.847 N/A THR 93.A N LYS 42.A O no hydrogen 2.841 N/A VAL 94.A N ALA 108.A O no hydrogen 2.782 N/A ASN 95.A N SER 40.A O no hydrogen 2.915 N/A TYR 96.A N ASP 106.A O no hydrogen 3.079 N/A TYR 96.A OH VAL 28.A O no hydrogen 2.504 N/A TYR 97.A N THR 38.A O no hydrogen 3.015 N/A TYR 97.A OH SER 40.A OG no hydrogen 2.637 N/A ILE 105.A N TYR 96.A O no hydrogen 2.729 N/A GLN 107.A NE2 ASN 95.A OD1 no hydrogen 2.926 N/A ALA 108.A N VAL 94.A O no hydrogen 2.890 N/A LEU 110.A N VAL 92.A O no hydrogen 2.754 N/A PHE 111.A N VAL 14.A O no hydrogen 2.775 N/A LEU 112.A N ASP 90.A O no hydrogen 2.846 N/A THR 113.A N ALA 16.A O no hydrogen 3.098 N/A ALA 114.A N SER 84.A OG no hydrogen 2.778 N/A ILE 115.A N TYR 18.A O no hydrogen 2.927 N/A GLU 116.A N LYS 185.A O no hydrogen 2.835 N/A SER 118.A N ARG 183.A O no hydrogen 2.873 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 2.531 N/A LEU 119.A N ASP 284.A OD2 no hydrogen 2.887 N/A ASP 120.A N ILE 181.A O no hydrogen 2.852 N/A ALA 123.A N GLU 130.A OE2 no hydrogen 3.001 N/A ASP 124.A N GLU 130.A OE2 no hydrogen 2.937 N/A ARG 125.A NE GLY 147.A O no hydrogen 2.783 N/A ARG 125.A NH1 THR 140.A O no hydrogen 3.192 N/A ARG 125.A NH2 THR 140.A O no hydrogen 2.876 N/A ARG 125.A NH2 GLY 147.A O no hydrogen 3.248 N/A ASP 126.A N ASP 122.A OD1 no hydrogen 3.050 N/A GLY 127.A N ASP 122.A OD2 no hydrogen 2.776 N/A VAL 128.A N ASP 126.A OD1 no hydrogen 2.962 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.831 N/A ASN 132.A N ASP 120.A OD1 no hydrogen 3.035 N/A ASN 133.A ND2 GLU 130.A OE2 no hydrogen 2.786 N/A ASN 133.A ND2 GLN 146.A OE1 no hydrogen 3.053 N/A LYS 135.A N ASN 133.A OD1 no hydrogen 2.730 N/A LYS 136.A N ASN 133.A O no hydrogen 2.985 N/A LYS 136.A NZ LEU 119.A O no hydrogen 2.788 N/A LYS 136.A NZ ASP 120.A OD1 no hydrogen 3.446 N/A LYS 136.A NZ ASN 132.A OD1 no hydrogen 2.788 N/A LYS 136.A NZ ASP 284.A OD2 no hydrogen 2.744 N/A SER 138.A N LYS 135.A O no hydrogen 3.115 N/A SER 138.A OG LYS 135.A O no hydrogen 3.416 N/A TRP 139.A NE1 ALA 148.A O no hydrogen 2.935 N/A THR 140.A N GLN 146.A O no hydrogen 2.708 N/A THR 140.A OG1 GLN 146.A O no hydrogen 3.464 N/A GLY 142.A N TRP 655.A O no hydrogen 2.960 N/A GLY 145.A N GLY 142.A O no hydrogen 2.982 N/A GLN 146.A N THR 140.A OG1 no hydrogen 2.760 N/A GLN 146.A NE2 GLY 145.A O no hydrogen 2.962 N/A GLY 147.A N ALA 123.A O no hydrogen 2.757 N/A LEU 150.A N ARG 289.A O no hydrogen 2.954 N/A ASN 153.A N GLY 250.A O no hydrogen 2.902 N/A ASN 153.A ND2 GLU 249.A OE1 no hydrogen 2.955 N/A CYS 154.A SG VAL 152.A O no hydrogen 3.785 N/A ARG 156.A N GLY 381.A O no hydrogen 3.193 N/A GLU 157.A N ASP 162.A OD2 no hydrogen 3.158 N/A GLU 161.A N GLU 161.A OE2 no hydrogen 2.602 N/A ASP 162.A N ASP 155.A O no hydrogen 2.758 N/A CYS 163.A SG ASN 153.A O no hydrogen 2.939 N/A CYS 163.A SG LEU 251.A O no hydrogen 3.865 N/A ARG 164.A N GLU 161.A O no hydrogen 3.067 N/A LYS 167.A N ASP 165.A OD1 no hydrogen 3.051 N/A ALA 173.A N SER 170.A O no hydrogen 3.309 N/A LEU 174.A N LYS 171.A O no hydrogen 2.996 N/A LYS 175.A N GLU 172.A O no hydrogen 3.071 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 2.877 N/A ASP 176.A N ALA 173.A O no hydrogen 3.166 N/A MET 177.A N LEU 174.A O no hydrogen 2.987 N/A SER 178.A N VAL 248.A O no hydrogen 2.999 N/A SER 178.A OG ILE 149.A O no hydrogen 2.765 N/A MET 180.A N PHE 246.A O no hydrogen 2.910 N/A ILE 181.A N ASP 120.A O no hydrogen 2.912 N/A LEU 182.A N LEU 244.A O no hydrogen 2.906 N/A ARG 183.A N SER 118.A O no hydrogen 2.887 N/A ARG 183.A NE GLU 243.A OE2 no hydrogen 2.739 N/A ARG 183.A NH1 ASP 120.A OD2 no hydrogen 2.593 N/A ARG 183.A NH1 GLU 130.A O no hydrogen 3.244 N/A ARG 183.A NH2 VAL 129.A O no hydrogen 3.095 N/A THR 184.A N ALA 242.A O no hydrogen 2.989 N/A LYS 185.A N GLU 116.A O no hydrogen 3.029 N/A GLY 186.A N GLY 240.A O no hydrogen 3.113 N/A ASP 188.A N GLU 86.A OE1 no hydrogen 2.697 N/A GLU 195.A N LEU 269.A O no hydrogen 3.099 N/A VAL 197.A N SER 267.A O no hydrogen 2.904 N/A LEU 198.A N HIS 233.A O no hydrogen 2.898 N/A TYR 199.A N HIS 265.A O no hydrogen 2.884 N/A ILE 200.A N LEU 231.A O no hydrogen 2.946 N/A ASP 204.A N SER 201.A OG no hydrogen 3.080 N/A SER 205.A N MET 202.A O no hydrogen 3.129 N/A SER 205.A OG MET 202.A O no hydrogen 2.610 N/A LYS 207.A N ASP 204.A O no hydrogen 2.800 N/A LYS 207.A NZ SER 203.A O no hydrogen 3.055 N/A LYS 207.A NZ ASP 206.A OD1 no hydrogen 2.794 N/A GLY 209.A N GLU 249.A O no hydrogen 2.986 N/A VAL 210.A N LEU 226.A O no hydrogen 2.898 N/A PHE 211.A N PHE 247.A O no hydrogen 2.873 N/A TYR 212.A N ILE 223.A O no hydrogen 2.808 N/A GLU 214.A N ARG 221.A O no hydrogen 2.706 N/A GLN 220.A NE2 ASN 215.A OD1 no hydrogen 3.466 N/A ARG 221.A N GLU 214.A O no hydrogen 2.671 N/A TYR 222.A OH GLN 220.A OE1 no hydrogen 2.860 N/A ILE 223.A N TYR 212.A O no hydrogen 2.769 N/A ILE 225.A N VAL 210.A O no hydrogen 2.857 N/A GLY 227.A N LYS 230.A O no hydrogen 2.972 N/A ARG 228.A NH1 CYS 163.A O no hydrogen 2.888 N/A ARG 228.A NH1 GLU 166.A OE2 no hydrogen 3.233 N/A ARG 228.A NH2 CYS 163.A O no hydrogen 3.027 N/A ARG 229.A NH2 GLU 166.A OE1 no hydrogen 2.822 N/A LYS 230.A N GLY 227.A O no hydrogen 2.932 N/A LYS 230.A NZ HIS 224.A ND1 no hydrogen 2.748 N/A HIS 233.A N LEU 198.A O no hydrogen 2.731 N/A VAL 235.A N ILE 196.A O no hydrogen 2.794 N/A TYR 237.A OH PRO 187.A O no hydrogen 2.752 N/A GLY 240.A N GLY 186.A O no hydrogen 2.820 N/A ALA 242.A N THR 184.A O no hydrogen 2.983 N/A LEU 244.A N LEU 182.A O no hydrogen 2.883 N/A PHE 246.A N MET 180.A O no hydrogen 2.767 N/A PHE 247.A N PHE 211.A O no hydrogen 2.895 N/A VAL 248.A N SER 178.A O no hydrogen 2.776 N/A GLU 249.A N GLY 209.A O no hydrogen 2.885 N/A GLY 250.A N LEU 151.A O no hydrogen 2.996 N/A LEU 251.A N LYS 207.A O no hydrogen 2.792 N/A CYS 252.A SG.A ASP 206.A O no hydrogen 3.287 N/A CYS 252.A SG.C PHE 253.A O no hydrogen 3.294 N/A ASP 255.A N PHE 258.A O no hydrogen 3.047 N/A GLU 256.A N ASP 255.A OD1 no hydrogen 2.723 N/A PHE 258.A N ASP 255.A O no hydrogen 2.917 N/A LEU 261.A N SER 259.A OG no hydrogen 2.984 N/A VAL 262.A N PHE 288.A O no hydrogen 2.871 N/A SER 263.A N.A ASP 204.A OD2 no hydrogen 3.186 N/A SER 263.A N.B ASP 204.A OD2 no hydrogen 3.210 N/A SER 263.A OG.B HIS 265.A NE2 no hydrogen 3.291 N/A ILE 264.A N VAL 286.A O no hydrogen 3.020 N/A HIS 265.A N TYR 199.A O no hydrogen 2.936 N/A HIS 265.A ND1 THR 285.A OG1 no hydrogen 2.712 N/A VAL 266.A N ASP 284.A O no hydrogen 2.953 N/A SER 267.A N VAL 197.A O no hydrogen 2.911 N/A SER 267.A OG THR 283.A OG1 no hydrogen 2.608 N/A LEU 268.A N PHE 282.A O no hydrogen 2.880 N/A LEU 269.A N GLU 195.A O no hydrogen 2.855 N/A GLU 270.A N THR 279.A O no hydrogen 2.874 N/A TYR 271.A N GLY 193.A O no hydrogen 2.720 N/A ILE 276.A N ALA 273.A O no hydrogen 3.176 N/A THR 279.A N GLU 270.A O no hydrogen 2.988 N/A ILE 281.A N LEU 268.A O no hydrogen 2.702 N/A THR 283.A OG1 SER 267.A OG no hydrogen 2.608 N/A ASP 284.A N VAL 266.A O no hydrogen 2.823 N/A THR 285.A OG1 HIS 265.A ND1 no hydrogen 2.712 N/A VAL 286.A N ILE 264.A O no hydrogen 3.033 N/A ILE 287.A N LYS 136.A O no hydrogen 3.126 N/A PHE 288.A N VAL 262.A O no hydrogen 2.837 N/A ARG 289.A N ALA 148.A O no hydrogen 2.986 N/A ARG 289.A NH1 SER 259.A O no hydrogen 3.057 N/A ILE 290.A N GLY 260.A O no hydrogen 2.748 N/A ALA 291.A N LEU 150.A O no hydrogen 2.843 N/A TRP 293.A N GLN 448.A OE1 no hydrogen 2.822 N/A TRP 293.A NE1 VAL 361.A O no hydrogen 3.068 N/A ILE 294.A N TYR 351.A O no hydrogen 3.066 N/A MET 295.A N GLN 451.A OE1 no hydrogen 2.785 N/A ASN 298.A ND2 PHE 472.A O no hydrogen 3.405 N/A LEU 300.A N PRO 297.A O no hydrogen 3.212 N/A VAL 303.A N ARG 646.A O no hydrogen 2.655 N/A SER 304.A N ARG 646.A O no hydrogen 3.248 N/A SER 304.A OG GLU 330.A OE1 no hydrogen 2.772 N/A VAL 305.A N GLU 330.A O no hydrogen 2.758 N/A PHE 306.A N ASN 644.A O no hydrogen 2.859 N/A VAL 307.A N LYS 332.A O no hydrogen 2.915 N/A CYS 308.A N GLY 642.A O no hydrogen 2.966 N/A CYS 308.A SG ASP 340.A O no hydrogen 2.944 N/A CYS 309.A N CYS 334.A O.A no hydrogen 3.256 N/A CYS 309.A N CYS 334.A O.B no hydrogen 3.310 N/A CYS 309.A SG MET 310.A O no hydrogen 3.540 N/A ASN 313.A N MET 310.A O no hydrogen 3.053 N/A ASN 313.A ND2 ASP 628.A O no hydrogen 3.298 N/A LEU 317.A N ASN 313.A O no hydrogen 3.475 N/A LYS 318.A N TYR 314.A O no hydrogen 2.848 N/A GLU 319.A N LEU 315.A O no hydrogen 2.811 N/A VAL 320.A N PHE 316.A O no hydrogen 2.814 N/A LYS 321.A N LEU 317.A O no hydrogen 2.946 N/A LYS 321.A NZ GLU 325.A OE2 no hydrogen 2.472 N/A ASN 322.A N LYS 318.A O no hydrogen 2.821 N/A LEU 323.A N GLU 319.A O no hydrogen 2.993 N/A VAL 324.A N VAL 320.A O no hydrogen 2.946 N/A GLU 325.A N LYS 321.A O no hydrogen 2.913 N/A LYS 326.A N LEU 323.A O no hydrogen 2.957 N/A LYS 326.A NZ THR 624.A OG1 no hydrogen 3.118 N/A THR 327.A N VAL 324.A O no hydrogen 2.756 N/A THR 327.A OG1 VAL 324.A O no hydrogen 2.633 N/A CYS 329.A N THR 327.A OG1 no hydrogen 3.088 N/A CYS 329.A SG PRO 302.A O no hydrogen 3.631 N/A CYS 329.A SG THR 327.A OG1 no hydrogen 3.338 N/A GLU 330.A N VAL 303.A O no hydrogen 3.231 N/A LYS 332.A N VAL 305.A O no hydrogen 2.884 N/A CYS 334.A N.A VAL 307.A O no hydrogen 2.880 N/A CYS 334.A N.B VAL 307.A O no hydrogen 2.900 N/A CYS 334.A SG.A PHE 335.A O no hydrogen 3.724 N/A CYS 334.A SG.B VAL 307.A O no hydrogen 3.754 N/A ARG 341.A NH1 CYS 641.A O no hydrogen 3.305 N/A TRP 342.A N GLY 339.A O no hydrogen 2.563 N/A GLN 344.A N ARG 341.A O no hydrogen 2.845 N/A GLN 344.A NE2.A THR 643.A O no hydrogen 2.885 N/A GLN 344.A NE2.B ASP 467.A OD2 no hydrogen 3.063 N/A GLN 344.A NE2.B ASN 584.A OD1 no hydrogen 2.987 N/A ASP 345.A N ARG 341.A O no hydrogen 2.876 N/A GLU 346.A N TRP 342.A O no hydrogen 2.614 N/A GLU 348.A N LEU 363.A O no hydrogen 3.078 N/A GLY 350.A N VAL 361.A O no hydrogen 3.054 N/A TYR 351.A N ILE 294.A O no hydrogen 2.866 N/A ILE 352.A N PHE 359.A O no hydrogen 3.133 N/A ALA 354.A N LYS 357.A O no hydrogen 2.725 N/A LYS 357.A N ALA 354.A O no hydrogen 3.079 N/A LYS 357.A NZ ASP 176.A OD1 no hydrogen 3.416 N/A LYS 357.A NZ ASP 383.A OD1 no hydrogen 2.936 N/A LYS 357.A NZ ASP 383.A OD2 no hydrogen 2.994 N/A PHE 359.A N ILE 352.A O no hydrogen 3.141 N/A VAL 361.A N GLY 350.A O no hydrogen 2.784 N/A VAL 362.A N GLY 385.A O no hydrogen 2.787 N/A LEU 363.A N GLU 348.A O no hydrogen 3.033 N/A ASP 364.A N VAL 387.A O no hydrogen 2.880 N/A SER 365.A N GLU 346.A O no hydrogen 2.927 N/A ARG 367.A N GLU 390.A OE1 no hydrogen 3.170 N/A ARG 367.A N GLU 390.A OE2 no hydrogen 3.205 N/A GLY 369.A N LYS 372.A O no hydrogen 3.062 N/A ASN 370.A N ASP 368.A OD2 no hydrogen 2.749 N/A LEU 371.A N ASP 368.A OD2 no hydrogen 2.540 N/A LYS 372.A N ASP 368.A OD1 no hydrogen 3.326 N/A LYS 372.A N ASP 368.A OD2 no hydrogen 3.167 N/A LYS 372.A NZ ASP 364.A OD1 no hydrogen 2.129 N/A LYS 372.A NZ SER 365.A O no hydrogen 2.513 N/A LYS 372.A NZ SER 365.A OG no hydrogen 3.282 N/A VAL 376.A N ASP 364.A OD2 no hydrogen 3.030 N/A LYS 377.A NZ GLU 161.A OE2 no hydrogen 3.517 N/A LEU 380.A N LYS 377.A O no hydrogen 2.828 N/A GLY 381.A N PHE 384.A O no hydrogen 3.256 N/A ASP 383.A N ASP 155.A OD2 no hydrogen 2.920 N/A PHE 384.A N GLY 381.A O no hydrogen 3.245 N/A GLY 385.A N PRO 360.A O no hydrogen 2.923 N/A TYR 386.A N CYS 154.A O no hydrogen 3.099 N/A TYR 386.A OH ASP 364.A OD2 no hydrogen 2.972 N/A VAL 387.A N VAL 362.A O no hydrogen 2.956 N/A THR 388.A OG1 ASP 364.A O no hydrogen 2.910 N/A ARG 389.A NE ASP 255.A OD2 no hydrogen 2.501 N/A ARG 389.A NH1 THR 388.A O no hydrogen 2.826 N/A ARG 389.A NH2 ASP 255.A OD2 no hydrogen 2.672 N/A THR 397.A N ASP 400.A OD1 no hydrogen 2.810 N/A SER 398.A OG VAL 463.A O no hydrogen 2.446 N/A SER 398.A OG HIS 465.A NE2 no hydrogen 3.201 N/A LEU 399.A N THR 397.A OG1 no hydrogen 3.207 N/A ASP 400.A N THR 397.A O no hydrogen 2.964 N/A SER 401.A N SER 398.A O no hydrogen 3.130 N/A SER 401.A OG.B ASP 345.A OD1 no hydrogen 2.676 N/A PHE 402.A N ASP 345.A O no hydrogen 2.755 N/A GLY 403.A N SER 401.A OG.B no hydrogen 3.078 N/A ASN 404.A N SER 401.A O no hydrogen 3.003 N/A ASN 404.A ND2 LEU 399.A O no hydrogen 2.950 N/A ASN 404.A ND2 GLY 426.A O no hydrogen 3.023 N/A LEU 405.A N PHE 402.A O no hydrogen 3.135 N/A GLU 406.A N LEU 424.A O no hydrogen 3.030 N/A SER 408.A N ARG 422.A O no hydrogen 2.901 N/A SER 408.A OG PRO 409.A O no hydrogen 2.732 N/A SER 408.A OG ARG 422.A O no hydrogen 3.561 N/A VAL 411.A N TYR 418.A O no hydrogen 3.233 N/A VAL 413.A N LYS 416.A O no hydrogen 2.859 N/A LYS 416.A N VAL 413.A O no hydrogen 2.915 N/A TYR 418.A N VAL 411.A O no hydrogen 2.735 N/A GLY 421.A N TYR 418.A O no hydrogen 2.932 N/A ARG 422.A N SER 408.A OG no hydrogen 2.855 N/A ARG 422.A NE ALA 452.A O no hydrogen 2.885 N/A ARG 422.A NH1 GLU 552.A O no hydrogen 2.980 N/A ARG 422.A NH1 GLU 552.A OE1 no hydrogen 2.997 N/A ARG 422.A NH2 ALA 452.A O no hydrogen 3.169 N/A ILE 423.A N GLN 451.A O no hydrogen 2.888 N/A LEU 424.A N GLU 406.A O no hydrogen 2.794 N/A ILE 425.A N VAL 454.A O no hydrogen 3.088 N/A GLY 426.A N ASN 404.A OD1 no hydrogen 2.965 N/A SER 427.A N LEU 456.A O no hydrogen 2.777 N/A SER 427.A OG SER 428.A O no hydrogen 3.345 N/A SER 427.A OG GLU 455.A OE2 no hydrogen 3.414 N/A SER 428.A N SER 427.A OG no hydrogen 2.638 N/A SER 428.A OG ARG 435.A O no hydrogen 2.566 N/A SER 432.A N PHE 429.A O no hydrogen 3.086 N/A SER 432.A OG PHE 429.A O no hydrogen 2.561 N/A GLY 434.A N SER 432.A OG no hydrogen 2.962 N/A ARG 435.A N ASP 459.A OD1 no hydrogen 3.022 N/A ARG 435.A NE ASP 459.A OD2 no hydrogen 2.722 N/A ARG 435.A NH1 THR 462.A O no hydrogen 3.118 N/A ARG 435.A NH2 ASP 459.A OD2 no hydrogen 3.065 N/A ARG 435.A NH2 LEU 461.A O no hydrogen 2.863 N/A ARG 435.A NH2 THR 462.A O no hydrogen 3.166 N/A ARG 436.A NE GLU 455.A OE2 no hydrogen 3.004 N/A ARG 436.A NH2 GLU 455.A OE1 no hydrogen 2.918 N/A THR 438.A N ASP 400.A OD2 no hydrogen 2.628 N/A THR 438.A OG1 ASP 400.A OD2 no hydrogen 3.095 N/A LYS 439.A N GLU 394.A OE1 no hydrogen 2.977 N/A LYS 439.A NZ ASP 443.A OD2 no hydrogen 2.732 N/A VAL 441.A N THR 438.A O no hydrogen 3.131 N/A ARG 442.A N THR 438.A O no hydrogen 3.069 N/A ARG 442.A NE MET 437.A O no hydrogen 2.875 N/A ASP 443.A N LYS 439.A O no hydrogen 2.662 N/A PHE 444.A N VAL 440.A O no hydrogen 3.190 N/A LEU 445.A N VAL 441.A O no hydrogen 3.006 N/A LYS 446.A N ARG 442.A O no hydrogen 2.958 N/A ALA 447.A N ASP 443.A O no hydrogen 2.882 N/A GLN 448.A N PHE 444.A O no hydrogen 3.289 N/A GLN 448.A N LEU 445.A O no hydrogen 3.345 N/A GLN 448.A NE2 PRO 254.A O no hydrogen 2.902 N/A GLN 448.A NE2 PHE 444.A O no hydrogen 2.932 N/A VAL 450.A N GLN 448.A O no hydrogen 2.807 N/A GLN 451.A NE2 MET 295.A O no hydrogen 2.910 N/A GLN 451.A NE2 LEU 420.A O no hydrogen 2.878 N/A ALA 452.A N GLN 449.A O no hydrogen 3.262 N/A VAL 454.A N ILE 423.A O no hydrogen 2.768 N/A LEU 456.A N ILE 425.A O no hydrogen 2.838 N/A TYR 457.A N ASN 545.A OD1 no hydrogen 2.661 N/A SER 458.A N SER 427.A O no hydrogen 2.979 N/A SER 458.A OG GLY 464.A O no hydrogen 2.779 N/A ASP 459.A N SER 427.A O no hydrogen 3.183 N/A LEU 461.A N SER 458.A O no hydrogen 3.124 N/A THR 462.A N ALA 575.A O no hydrogen 2.830 N/A THR 462.A OG1 ASP 570.A OD2 no hydrogen 2.621 N/A THR 462.A OG1 ALA 575.A O no hydrogen 3.177 N/A HIS 465.A N GLU 468.A OE2 no hydrogen 2.885 N/A HIS 465.A NE2 SER 398.A O no hydrogen 2.847 N/A VAL 466.A N ASN 404.A OD1 no hydrogen 3.046 N/A ASP 467.A N GLY 403.A O no hydrogen 3.203 N/A GLU 468.A N HIS 465.A O no hydrogen 3.039 N/A PHE 469.A N VAL 466.A O no hydrogen 3.260 N/A MET 470.A N VAL 466.A O no hydrogen 3.278 N/A SER 471.A N LEU 484.A O no hydrogen 3.062 N/A SER 471.A OG.A VAL 583.A O no hydrogen 3.127 N/A VAL 473.A N LEU 482.A O no hydrogen 3.042 N/A ILE 475.A N LYS 480.A O no hydrogen 3.020 N/A THR 478.A N ILE 475.A O no hydrogen 3.103 N/A THR 478.A OG1 ILE 475.A O no hydrogen 2.729 N/A LYS 480.A N THR 478.A OG1 no hydrogen 2.976 N/A LEU 482.A N VAL 473.A O no hydrogen 2.809 N/A LEU 483.A N ASP 559.A O no hydrogen 2.779 N/A LEU 484.A N SER 471.A O no hydrogen 2.745 N/A MET 485.A N ILE 561.A O no hydrogen 2.942 N/A ALA 486.A N PHE 469.A O no hydrogen 3.018 N/A SER 487.A N LEU 563.A O no hydrogen 2.722 N/A SER 487.A OG GLN 539.A OE1 no hydrogen 3.250 N/A THR 488.A OG1 ASN 535.A O no hydrogen 2.855 N/A THR 488.A OG1 GLN 539.A OE1 no hydrogen 3.431 N/A SER 489.A N GLN 539.A OE1 no hydrogen 3.014 N/A SER 489.A OG.A SER 487.A OG no hydrogen 3.177 N/A SER 489.A OG.A GLN 539.A OE1 no hydrogen 3.489 N/A ALA 490.A N SER 487.A OG no hydrogen 2.930 N/A TYR 492.A N THR 488.A O no hydrogen 2.989 N/A LYS 493.A N SER 489.A O no hydrogen 2.985 N/A LYS 493.A NZ GLU 497.A OE2 no hydrogen 3.329 N/A LEU 494.A N ALA 490.A O no hydrogen 3.080 N/A PHE 495.A N CYS 491.A O no hydrogen 2.929 N/A ARG 496.A N TYR 492.A O no hydrogen 2.893 N/A GLU 497.A N LYS 493.A O no hydrogen 2.972 N/A LYS 498.A N LEU 494.A O no hydrogen 3.039 N/A GLN 499.A N PHE 495.A O no hydrogen 2.903 N/A GLN 499.A NE2 ASN 523.A OD1 no hydrogen 2.719 N/A LYS 500.A N ARG 496.A O no hydrogen 3.006 N/A ASP 501.A N GLU 497.A O no hydrogen 2.881 N/A GLY 502.A N GLN 499.A O no hydrogen 2.919 N/A HIS 503.A N LYS 498.A O no hydrogen 2.871 N/A ALA 506.A N HIS 503.A O no hydrogen 2.896 N/A MET 508.A N ILE 520.A O no hydrogen 2.875 N/A PHE 509.A N PHE 598.A O no hydrogen 2.911 N/A LEU 512.A N PHE 509.A O no hydrogen 2.991 N/A GLY 514.A N HIS 633.A O no hydrogen 2.812 N/A MET 515.A N LEU 512.A O no hydrogen 2.917 N/A SER 516.A N GLY 513.A O no hydrogen 3.312 N/A SER 516.A OG GLY 513.A O no hydrogen 3.419 N/A LYS 518.A N MET 515.A O no hydrogen 3.078 N/A ARG 519.A N SER 516.A O no hydrogen 2.902 N/A ILE 522.A N ALA 506.A O no hydrogen 3.235 N/A ASN 523.A N GLY 504.A O no hydrogen 2.803 N/A ASN 523.A ND2 GLU 505.A OE2 no hydrogen 2.931 N/A LYS 524.A N THR 521.A OG1 no hydrogen 2.995 N/A LYS 524.A NZ ARG 519.A O no hydrogen 2.836 N/A ILE 525.A N THR 521.A O no hydrogen 3.003 N/A LEU 526.A N ILE 522.A O no hydrogen 2.919 N/A SER 527.A N.A ASN 523.A O no hydrogen 3.031 N/A SER 527.A N.B ASN 523.A O no hydrogen 3.027 N/A SER 527.A OG.A ASN 523.A O no hydrogen 3.079 N/A SER 527.A OG.A LYS 524.A O no hydrogen 3.312 N/A SER 527.A OG.B ASN 523.A O no hydrogen 3.234 N/A ASN 528.A N ILE 525.A O no hydrogen 3.215 N/A SER 530.A OG ASN 528.A OD1 no hydrogen 3.122 N/A LEU 531.A N ASN 528.A OD1 no hydrogen 2.944 N/A VAL 532.A N ASN 528.A O no hydrogen 3.136 N/A GLN 533.A N GLU 529.A O no hydrogen 3.142 N/A GLU 534.A N SER 530.A O no hydrogen 2.866 N/A ASN 535.A N LEU 531.A O no hydrogen 2.977 N/A ASN 535.A ND2 LEU 531.A O no hydrogen 3.016 N/A ASN 535.A ND2 PHE 567.A O no hydrogen 2.912 N/A LEU 536.A N VAL 532.A O no hydrogen 2.918 N/A TYR 537.A N GLN 533.A O no hydrogen 3.144 N/A PHE 538.A N GLU 534.A O no hydrogen 2.944 N/A GLN 539.A N ASN 535.A O no hydrogen 2.914 N/A GLN 539.A NE2 ASP 543.A OD1 no hydrogen 2.877 N/A ARG 540.A N LEU 536.A O no hydrogen 3.046 N/A CYS 541.A N TYR 537.A O no hydrogen 3.123 N/A CYS 541.A SG TYR 537.A O no hydrogen 3.548 N/A LEU 542.A N PHE 538.A O no hydrogen 2.892 N/A ASP 543.A N GLN 539.A O no hydrogen 2.847 N/A TRP 544.A N ARG 540.A O no hydrogen 3.008 N/A ASN 545.A N CYS 541.A O no hydrogen 3.246 N/A ASN 545.A ND2 TYR 457.A O no hydrogen 2.737 N/A ASN 545.A ND2 CYS 541.A O no hydrogen 3.069 N/A ARG 546.A N LEU 542.A O no hydrogen 2.860 N/A ARG 546.A NE GLU 557.A OE2 no hydrogen 2.871 N/A ARG 546.A NH1 ASP 562.A OD1 no hydrogen 3.437 N/A ARG 546.A NH1 ASP 562.A OD2 no hydrogen 2.810 N/A ARG 546.A NH2 GLU 557.A OE1 no hydrogen 2.945 N/A ARG 546.A NH2 ASP 562.A OD1 no hydrogen 2.867 N/A ASP 547.A N ASP 543.A O no hydrogen 3.009 N/A ILE 548.A N TRP 544.A O no hydrogen 3.198 N/A LEU 549.A N ASN 545.A O no hydrogen 2.833 N/A LYS 550.A N ARG 546.A O no hydrogen 2.962 N/A LYS 550.A NZ GLU 557.A OE2 no hydrogen 2.859 N/A LYS 551.A N ASP 547.A O no hydrogen 3.100 N/A GLU 552.A N ILE 548.A O no hydrogen 2.871 N/A LEU 553.A N LEU 549.A O no hydrogen 2.834 N/A LEU 555.A N LYS 550.A O no hydrogen 2.973 N/A THR 556.A N ASP 559.A OD2 no hydrogen 2.926 N/A GLN 558.A N THR 556.A OG1 no hydrogen 3.097 N/A ASP 559.A N THR 556.A O no hydrogen 3.005 N/A ILE 560.A N GLU 557.A O no hydrogen 3.267 N/A ILE 561.A N LEU 483.A O no hydrogen 2.934 N/A LEU 563.A N MET 485.A O no hydrogen 2.841 N/A ALA 565.A N SER 487.A O no hydrogen 2.946 N/A PHE 567.A N ASN 535.A OD1 no hydrogen 3.014 N/A LYS 568.A N ARG 576.A O no hydrogen 2.882 N/A LYS 568.A NZ GLU 534.A OE1 no hydrogen 3.358 N/A LYS 568.A NZ GLU 534.A OE2 no hydrogen 3.135 N/A LYS 568.A NZ MET 569.A O no hydrogen 2.820 N/A MET 569.A N GLU 534.A OE1 no hydrogen 2.972 N/A ASP 570.A N ARG 574.A O no hydrogen 2.770 N/A ASP 572.A N ASP 570.A OD1 no hydrogen 2.668 N/A HIS 573.A N ASP 570.A O no hydrogen 3.032 N/A ARG 574.A N ASP 570.A OD1 no hydrogen 2.880 N/A ARG 574.A NE ASP 459.A O no hydrogen 2.748 N/A ARG 574.A NH2 ASP 459.A OD1 no hydrogen 3.176 N/A ALA 575.A N TRP 460.A O no hydrogen 2.748 N/A ARG 576.A N LYS 568.A O no hydrogen 2.951 N/A PHE 578.A N LEU 566.A O no hydrogen 2.792 N/A ASN 584.A N ASN 581.A O no hydrogen 3.357 N/A ILE 586.A N GLY 593.A O no hydrogen 2.807 N/A LEU 588.A N ASP 591.A O no hydrogen 2.786 N/A LYS 590.A NZ ASP 591.A OD2 no hydrogen 2.814 N/A LYS 590.A NZ GLU 622.A OE2 no hydrogen 3.434 N/A ASP 591.A N LEU 588.A O no hydrogen 2.990 N/A LEU 592.A N GLU 622.A O no hydrogen 2.925 N/A GLY 593.A N ILE 586.A O no hydrogen 2.910 N/A ILE 594.A N THR 624.A O no hydrogen 2.735 N/A LYS 596.A N ILE 626.A O no hydrogen 2.916 N/A VAL 602.A N GLU 605.A O no hydrogen 2.881 N/A GLU 605.A N VAL 602.A O no hydrogen 3.233 N/A CYS 607.A N PRO 600.A O no hydrogen 2.983 N/A CYS 607.A SG PRO 600.A O no hydrogen 3.464 N/A MET 610.A N CYS 606.A O no hydrogen 2.988 N/A HIS 611.A N CYS 607.A O no hydrogen 3.055 N/A VAL 612.A N LEU 608.A O no hydrogen 2.959 N/A ARG 613.A N GLU 609.A O no hydrogen 2.983 N/A ARG 613.A NH1 GLU 617.A OE2 no hydrogen 2.762 N/A ARG 613.A NH1 CYS 623.A O no hydrogen 2.927 N/A ARG 613.A NH2 CYS 623.A O no hydrogen 3.361 N/A GLY 614.A N MET 610.A O no hydrogen 3.011 N/A LEU 615.A N HIS 611.A O no hydrogen 3.164 N/A LEU 615.A N VAL 612.A O no hydrogen 3.101 N/A LEU 616.A N VAL 612.A O no hydrogen 2.998 N/A GLU 617.A N ARG 613.A O no hydrogen 2.833 N/A LEU 619.A N LEU 616.A O no hydrogen 2.947 N/A GLY 620.A N GLU 617.A O no hydrogen 2.915 N/A GLU 622.A N LYS 590.A O no hydrogen 2.809 N/A THR 624.A N LEU 592.A O no hydrogen 2.876 N/A ILE 626.A N ILE 594.A O no hydrogen 2.746 N/A ASP 627.A N GLU 319.A OE1 no hydrogen 2.823 N/A SER 630.A N ASP 627.A OD2 no hydrogen 2.901 N/A SER 630.A OG ASP 627.A OD1 no hydrogen 2.402 N/A SER 630.A OG ASP 627.A OD2 no hydrogen 3.304 N/A TYR 632.A N ILE 629.A O no hydrogen 2.918 N/A HIS 633.A N SER 630.A O no hydrogen 2.880 N/A HIS 640.A ND1 ASP 340.A OD2 no hydrogen 3.166 N/A CYS 641.A SG ASP 628.A O no hydrogen 3.953 N/A GLY 642.A N CYS 308.A O no hydrogen 3.046 N/A THR 643.A N GLN 344.A OE1.B no hydrogen 3.280 N/A ASN 644.A N PHE 306.A O no hydrogen 2.814 N/A ASN 644.A ND2 ILE 343.A O no hydrogen 2.949 N/A ASN 644.A ND2 ILE 347.A O no hydrogen 3.116 N/A ARG 646.A N SER 304.A O no hydrogen 2.847 N/A ARG 647.A NH1 LEU 300.A O no hydrogen 3.072 N/A ARG 647.A NH1 VAL 587.A O no hydrogen 3.143 N/A ARG 647.A NH2 VAL 587.A O no hydrogen 2.906 N/A LYS 648.A N PRO 301.A O no hydrogen 2.919 N/A LYS 653.A NZ GLU 353.A OE2 no hydrogen 2.714 N/A TRP 654.A NE1 GLU 353.A O no hydrogen 2.885 N/A HIS 656.A N LYS 653.A O no hydrogen 2.944 N/A MET 657.A N TRP 654.A O no hydrogen 3.119 N/A