Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x0d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 1.A O no hydrogen 2.948 N/A GLN 6.A N TYR 2.A O no hydrogen 3.000 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 3.092 N/A GLN 6.A NE2 ASP 506.A OD1 no hydrogen 3.020 N/A GLU 7.A N ASP 3.A O no hydrogen 3.288 N/A LEU 8.A N MET 4.A O no hydrogen 3.278 N/A ALA 9.A N ALA 5.A O no hydrogen 3.245 N/A ARG 10.A N GLN 6.A O no hydrogen 3.203 N/A SER 11.A N LEU 8.A O no hydrogen 3.326 N/A SER 11.A OG GLU 7.A O no hydrogen 3.308 N/A ARG 12.A NE GLY 14.A O no hydrogen 2.861 N/A ARG 12.A NH1 SER 481.A O no hydrogen 2.917 N/A ARG 12.A NH2 GLY 14.A O no hydrogen 2.783 N/A ARG 12.A NH2 SER 481.A O no hydrogen 3.126 N/A PHE 13.A N ARG 10.A O no hydrogen 2.869 N/A ASP 15.A N ASP 15.A OD1 no hydrogen 2.536 N/A MET 16.A N PHE 13.A O no hydrogen 2.943 N/A ASP 19.A N MET 16.A O no hydrogen 3.284 N/A ARG 22.A N ASP 19.A OD1 no hydrogen 2.906 N/A ARG 22.A NE MET 16.A O no hydrogen 3.003 N/A ARG 22.A NH1 GLU 120.A OE2 no hydrogen 3.231 N/A ASN 23.A N ASP 19.A O no hydrogen 2.845 N/A ASP 24.A N PHE 20.A O no hydrogen 2.801 N/A LYS 25.A N ASP 21.A O no hydrogen 2.887 N/A LYS 25.A NZ ASP 21.A OD1 no hydrogen 2.759 N/A LYS 25.A NZ ASP 21.A OD2 no hydrogen 3.491 N/A LYS 25.A NZ PHE 262.A O no hydrogen 2.801 N/A LYS 25.A NZ ASN 274.A OD1 no hydrogen 2.934 N/A PHE 26.A N ARG 22.A O no hydrogen 3.077 N/A LEU 27.A N ASN 23.A O no hydrogen 2.995 N/A ALA 28.A N ASP 24.A O no hydrogen 2.819 N/A GLY 29.A N LYS 25.A O no hydrogen 3.022 N/A LEU 30.A N PHE 26.A O no hydrogen 2.848 N/A LYS 31.A N LEU 27.A O no hydrogen 2.821 N/A THR 32.A N ALA 28.A O no hydrogen 3.095 N/A THR 32.A OG1 ALA 28.A O no hydrogen 3.150 N/A THR 32.A OG1 ASP 256.A OD2 no hydrogen 2.951 N/A THR 33.A N GLY 29.A O no hydrogen 3.028 N/A THR 33.A OG1 GLY 29.A O no hydrogen 3.048 N/A THR 33.A OG1 LEU 30.A O no hydrogen 3.368 N/A ILE 34.A N LEU 30.A O no hydrogen 2.773 N/A ALA 35.A N LYS 31.A O no hydrogen 2.941 N/A GLU 36.A N THR 32.A O no hydrogen 3.048 N/A LYS 37.A N THR 33.A O no hydrogen 3.033 N/A LYS 37.A NZ GLU 40.A OE1 no hydrogen 3.211 N/A LYS 37.A NZ GLY 146.A O no hydrogen 2.881 N/A LYS 38.A N ILE 34.A O no hydrogen 2.712 N/A LYS 38.A NZ GLY 66.A O no hydrogen 3.114 N/A HIS 39.A N ALA 35.A O no hydrogen 3.421 N/A GLU 40.A N GLU 36.A O no hydrogen 2.918 N/A ASN 41.A N LYS 37.A O no hydrogen 2.873 N/A ASN 41.A ND2 LYS 45.A O no hydrogen 2.551 N/A ASN 41.A ND2 ASP 115.A OD1 no hydrogen 3.262 N/A GLY 44.A N ASN 41.A O no hydrogen 2.516 N/A VAL 46.A N ASP 68.A OD1 no hydrogen 3.078 N/A HIS 47.A N ASP 115.A OD2 no hydrogen 2.613 N/A VAL 48.A N LYS 69.A O no hydrogen 2.775 N/A LEU 49.A N ILE 116.A O no hydrogen 2.707 N/A ASP 50.A N THR 71.A O no hydrogen 2.981 N/A ILE 51.A N VAL 118.A O no hydrogen 2.842 N/A GLY 52.A N LEU 73.A O no hydrogen 2.752 N/A THR 53.A N LEU 73.A O no hydrogen 2.998 N/A THR 53.A OG1 ASP 50.A OD2 no hydrogen 2.617 N/A THR 53.A OG1 SER 59.A OG no hydrogen 3.372 N/A GLY 54.A N GLU 74.A OE2 no hydrogen 2.812 N/A GLY 56.A N THR 53.A O no hydrogen 2.720 N/A LEU 57.A N THR 55.A OG1 no hydrogen 3.164 N/A SER 59.A OG ASP 50.A OD2 no hydrogen 2.790 N/A SER 59.A OG THR 53.A OG1 no hydrogen 3.372 N/A LEU 60.A N GLY 56.A O no hydrogen 2.935 N/A MET 61.A N LEU 57.A O no hydrogen 2.919 N/A ALA 62.A N LEU 58.A O no hydrogen 2.872 N/A ALA 63.A N SER 59.A O no hydrogen 2.978 N/A ARG 64.A N LEU 60.A O no hydrogen 2.944 N/A ARG 64.A NH1 ASN 487.A O no hydrogen 2.883 N/A ARG 64.A NH2 ASN 487.A O no hydrogen 3.542 N/A GLU 65.A N MET 61.A O no hydrogen 3.150 N/A GLY 66.A N ALA 63.A O no hydrogen 2.819 N/A ALA 67.A N ALA 62.A O no hydrogen 3.028 N/A ASP 68.A N VAL 46.A O no hydrogen 2.909 N/A LYS 69.A N VAL 46.A O no hydrogen 3.271 N/A VAL 70.A N LYS 95.A O no hydrogen 2.821 N/A THR 71.A N VAL 48.A O no hydrogen 2.839 N/A ALA 72.A N THR 97.A O no hydrogen 2.890 N/A LEU 73.A N ASP 50.A O no hydrogen 2.942 N/A GLU 74.A N ILE 99.A O no hydrogen 3.319 N/A PHE 76.A N GLU 74.A OE1 no hydrogen 2.992 N/A GLY 80.A N PHE 76.A O no hydrogen 2.848 N/A ASP 81.A N LYS 77.A O no hydrogen 3.044 N/A ASP 81.A N PRO 78.A O no hydrogen 3.110 N/A CYS 82.A N PRO 78.A O no hydrogen 2.987 N/A ALA 83.A N MET 79.A O no hydrogen 2.861 N/A ARG 84.A N GLY 80.A O no hydrogen 3.075 N/A ARG 84.A NH1 VAL 98.A O no hydrogen 2.781 N/A ARG 84.A NH1 SER 100.A OG no hydrogen 3.368 N/A ARG 84.A NH2 ASP 81.A OD1 no hydrogen 2.682 N/A HIS 85.A N ASP 81.A O no hydrogen 2.855 N/A ILE 86.A N CYS 82.A O no hydrogen 2.861 N/A THR 87.A N ALA 83.A O no hydrogen 2.701 N/A THR 87.A OG1 ALA 83.A O no hydrogen 2.981 N/A THR 87.A OG1 ARG 84.A O no hydrogen 3.566 N/A SER 88.A N ARG 84.A O no hydrogen 2.850 N/A SER 88.A OG ARG 84.A O no hydrogen 2.764 N/A ASN 89.A N HIS 85.A O no hydrogen 2.980 N/A ASN 89.A ND2 HIS 85.A O no hydrogen 3.081 N/A SER 90.A N THR 87.A O no hydrogen 3.238 N/A SER 90.A OG THR 87.A O no hydrogen 2.826 N/A TRP 92.A N SER 90.A OG no hydrogen 3.029 N/A SER 93.A N SER 90.A O no hydrogen 3.141 N/A SER 93.A OG SER 88.A O no hydrogen 3.167 N/A LYS 95.A N TRP 92.A O no hydrogen 2.698 N/A ILE 96.A N TRP 92.A O no hydrogen 3.250 N/A THR 97.A N VAL 70.A O no hydrogen 3.038 N/A ILE 99.A N ALA 72.A O no hydrogen 2.991 N/A GLU 101.A N ILE 99.A O no hydrogen 3.020 N/A THR 104.A OG1 ASP 105.A OD1 no hydrogen 3.265 N/A ASP 105.A N ARG 102.A O no hydrogen 2.995 N/A VAL 106.A N ARG 102.A O no hydrogen 3.356 N/A SER 112.A OG ARG 113.A O no hydrogen 3.075 N/A ARG 113.A NH1 GLU 140.A O no hydrogen 3.456 N/A ALA 114.A N LEU 142.A O no hydrogen 2.906 N/A ASP 115.A N HIS 47.A O no hydrogen 2.864 N/A ILE 116.A N HIS 47.A O no hydrogen 3.270 N/A ILE 117.A N ARG 148.A O no hydrogen 2.888 N/A VAL 118.A N LEU 49.A O no hydrogen 2.825 N/A ALA 119.A N VAL 150.A O no hydrogen 3.206 N/A PHE 122.A N GLU 120.A OE1 no hydrogen 3.166 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 3.099 N/A LEU 126.A N ASP 123.A O no hydrogen 2.618 N/A ILE 127.A N GLU 125.A O no hydrogen 2.895 N/A GLY 128.A N ASP 123.A OD1 no hydrogen 3.128 N/A GLY 130.A N ILE 127.A O no hydrogen 3.011 N/A ARG 133.A NE GLU 308.A OE2 no hydrogen 2.828 N/A ARG 133.A NH1 GLU 137.A OE1 no hydrogen 2.890 N/A ARG 133.A NH2 GLU 308.A OE1 no hydrogen 3.100 N/A ARG 133.A NH2 GLU 308.A OE2 no hydrogen 3.398 N/A THR 134.A N GLY 130.A O no hydrogen 2.874 N/A THR 134.A OG1 GLY 130.A O no hydrogen 3.108 N/A PHE 135.A N ALA 131.A O no hydrogen 2.934 N/A LYS 136.A N LEU 132.A O no hydrogen 2.998 N/A LYS 136.A NZ GLU 223.A O no hydrogen 2.980 N/A LYS 136.A NZ GLU 223.A OE2 no hydrogen 2.847 N/A LYS 136.A NZ ILE 226.A O no hydrogen 2.945 N/A GLU 137.A N ARG 133.A O no hydrogen 2.753 N/A ALA 138.A N THR 134.A O no hydrogen 2.997 N/A LEU 139.A N PHE 135.A O no hydrogen 2.926 N/A GLU 140.A N LYS 136.A O no hydrogen 3.198 N/A ARG 141.A N GLU 137.A O no hydrogen 3.157 N/A ARG 141.A NE VAL 106.A O no hydrogen 3.557 N/A LEU 142.A N ALA 138.A O no hydrogen 2.792 N/A LYS 144.A N ALA 114.A O no hydrogen 2.987 N/A LYS 144.A NZ ASP 115.A OD1 no hydrogen 2.976 N/A CYS 147.A N LYS 144.A O no hydrogen 3.118 N/A CYS 147.A SG ALA 114.A O no hydrogen 3.884 N/A CYS 147.A SG ASP 115.A O no hydrogen 3.320 N/A CYS 147.A SG ARG 148.A O no hydrogen 3.581 N/A ARG 148.A N ASP 115.A O no hydrogen 2.951 N/A ARG 148.A NE GLU 36.A OE1 no hydrogen 2.745 N/A ARG 148.A NH1 SER 152.A OG no hydrogen 3.179 N/A ARG 148.A NH1 GLU 221.A OE1 no hydrogen 3.490 N/A ARG 148.A NH1 GLU 221.A OE2 no hydrogen 2.743 N/A ARG 148.A NH1 ASP 256.A O no hydrogen 3.165 N/A ARG 148.A NH2 GLU 36.A OE2 no hydrogen 3.007 N/A ARG 148.A NH2 ASP 256.A O no hydrogen 2.538 N/A VAL 149.A N GLU 221.A OE2 no hydrogen 2.932 N/A VAL 150.A N ILE 117.A O no hydrogen 2.754 N/A SER 152.A N ASP 254.A O no hydrogen 2.978 N/A SER 152.A OG VAL 149.A O no hydrogen 2.867 N/A THR 153.A OG1 SER 152.A O no hydrogen 3.190 N/A GLY 154.A N PHE 218.A O no hydrogen 2.994 N/A ASN 155.A N ASP 252.A O no hydrogen 2.779 N/A VAL 156.A N PHE 216.A O no hydrogen 2.823 N/A TYR 157.A N TRP 250.A O no hydrogen 3.000 N/A ILE 158.A N ILE 213.A O no hydrogen 2.877 N/A VAL 159.A N LEU 248.A O no hydrogen 2.926 N/A VAL 161.A N ALA 246.A O no hydrogen 3.033 N/A GLU 162.A N ARG 207.A O no hydrogen 2.827 N/A SER 163.A N ASP 245.A OD2 no hydrogen 2.795 N/A SER 163.A OG GLU 205.A O no hydrogen 2.378 N/A LEU 166.A N SER 163.A OG no hydrogen 3.389 N/A LYS 167.A N SER 163.A O no hydrogen 3.287 N/A LYS 167.A NZ ASP 171.A OD1 no hydrogen 3.471 N/A LYS 167.A NZ ASP 171.A OD2 no hydrogen 3.186 N/A MET 168.A N HIS 164.A O no hydrogen 3.020 N/A PHE 169.A N LEU 166.A O no hydrogen 3.239 N/A ASN 170.A N LYS 167.A O no hydrogen 2.774 N/A ASP 171.A N LYS 167.A O no hydrogen 2.841 N/A LEU 175.A N TYR 403.A OH no hydrogen 3.004 N/A ASN 176.A N GLU 181.A OE1 no hydrogen 2.699 N/A GLY 177.A N ARG 174.A O no hydrogen 3.330 N/A GLU 178.A N GLU 181.A OE2 no hydrogen 3.094 N/A GLU 181.A N GLU 178.A O no hydrogen 3.469 N/A GLU 182.A N TYR 402.A OH no hydrogen 2.890 N/A GLY 185.A N GLU 182.A O no hydrogen 2.920 N/A CYS 187.A SG HIS 330.A ND1 no hydrogen 3.732 N/A SER 188.A OG TYR 324.A O no hydrogen 2.694 N/A VAL 196.A N GLN 283.A O no hydrogen 2.766 N/A GLN 197.A N GLU 516.A OE1 no hydrogen 2.975 N/A GLN 197.A NE2 ARG 278.A O no hydrogen 2.769 N/A GLN 197.A NE2 ASP 279.A OD1 no hydrogen 2.980 N/A GLU 200.A N GLN 197.A O no hydrogen 2.963 N/A MET 201.A N LEU 198.A O no hydrogen 3.131 N/A LYS 202.A N GLU 205.A OE2 no hydrogen 2.906 N/A GLU 205.A N LYS 202.A O no hydrogen 2.912 N/A ARG 207.A N GLU 162.A O no hydrogen 2.811 N/A ARG 207.A NH1 GLU 162.A OE2 no hydrogen 2.902 N/A ARG 207.A NH2 SER 241.A O no hydrogen 2.752 N/A LEU 209.A N PRO 160.A O no hydrogen 3.021 N/A SER 210.A OG GLU 211.A O no hydrogen 2.764 N/A ILE 213.A N ILE 158.A O no hydrogen 2.687 N/A ALA 215.A N VAL 156.A O no hydrogen 2.726 N/A PHE 216.A N VAL 156.A O no hydrogen 3.181 N/A PHE 218.A N GLY 154.A O no hydrogen 2.776 N/A PHE 220.A N SER 152.A O no hydrogen 2.967 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 3.278 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.701 N/A LYS 225.A N HIS 222.A O no hydrogen 2.844 N/A ILE 226.A N GLU 223.A O no hydrogen 2.933 N/A GLU 230.A N HIS 306.A O no hydrogen 3.165 N/A SER 231.A OG ASN 305.A OD1 no hydrogen 2.573 N/A PHE 232.A N CYS 304.A O no hydrogen 2.957 N/A ARG 234.A N ILE 302.A O no hydrogen 2.974 N/A ARG 234.A NE ALA 215.A O no hydrogen 2.936 N/A ARG 234.A NH2 ALA 215.A O no hydrogen 3.227 N/A ALA 236.A N PHE 300.A O no hydrogen 2.893 N/A ALA 238.A N GLN 298.A O no hydrogen 2.944 N/A HIS 239.A N LEU 209.A O no hydrogen 3.106 N/A SER 240.A OG HIS 239.A O no hydrogen 2.824 N/A GLY 242.A N VAL 294.A O no hydrogen 2.623 N/A THR 243.A N GLU 162.A OE1 no hydrogen 2.787 N/A THR 243.A OG1 LYS 292.A O no hydrogen 3.127 N/A ILE 244.A N LYS 292.A O no hydrogen 2.907 N/A ASP 245.A N VAL 161.A O no hydrogen 2.845 N/A ASP 245.A N THR 243.A O no hydrogen 2.880 N/A LEU 247.A N TYR 286.A O no hydrogen 2.836 N/A LEU 248.A N VAL 159.A O no hydrogen 3.013 N/A MET 249.A N ALA 284.A O no hydrogen 2.700 N/A TRP 250.A N TYR 157.A O no hydrogen 3.247 N/A TRP 251.A NE1 ASP 123.A O no hydrogen 2.976 N/A ASP 252.A N ASN 155.A O no hydrogen 2.896 N/A ILE 253.A N ILE 263.A O no hydrogen 2.732 N/A ASP 254.A N THR 153.A O no hydrogen 2.831 N/A MET 255.A N THR 261.A O no hydrogen 3.004 N/A ASP 256.A N ASP 254.A OD1 no hydrogen 3.128 N/A ARG 257.A NE GLU 221.A OE1 no hydrogen 2.924 N/A ARG 257.A NH2 ASP 219.A OD1 no hydrogen 2.726 N/A ARG 257.A NH2 GLU 221.A OE1 no hydrogen 2.922 N/A ASN 258.A N ASP 256.A OD1 no hydrogen 3.057 N/A GLY 259.A N ASP 254.A OD2 no hydrogen 2.916 N/A ILE 263.A N ILE 253.A O no hydrogen 2.994 N/A MET 265.A N TRP 251.A O no hydrogen 2.918 N/A GLY 266.A N ASP 264.A OD1 no hydrogen 2.758 N/A LYS 268.A N SER 199.A OG no hydrogen 2.784 N/A TRP 269.A NE1 LEU 198.A O no hydrogen 3.126 N/A LYS 270.A N PRO 267.A O no hydrogen 2.750 N/A LYS 270.A NZ GLU 208.A OE2 no hydrogen 3.036 N/A ASN 271.A ND2 ASP 264.A O no hydrogen 3.111 N/A ASN 271.A ND2 GLY 266.A O no hydrogen 3.076 N/A ARG 278.A NH1 ASP 19.A OD1 no hydrogen 3.060 N/A ARG 278.A NH1 ASP 19.A OD2 no hydrogen 3.387 N/A ARG 278.A NH1 ASP 21.A OD2 no hydrogen 3.071 N/A ARG 278.A NH2 ASP 21.A OD2 no hydrogen 3.440 N/A ASP 279.A N ASP 15.A OD1 no hydrogen 3.323 N/A ASP 279.A N ASP 15.A OD2 no hydrogen 2.895 N/A HIS 280.A N ASP 15.A OD1 no hydrogen 2.797 N/A HIS 280.A NE2 ASP 19.A OD2 no hydrogen 2.750 N/A TRP 281.A NE1 PHE 122.A O no hydrogen 2.918 N/A MET 282.A N THR 124.A OG1 no hydrogen 2.848 N/A GLN 283.A N VAL 196.A O no hydrogen 3.133 N/A GLN 283.A NE2 VAL 196.A O no hydrogen 3.398 N/A ALA 284.A N MET 249.A O no hydrogen 2.969 N/A VAL 285.A N PHE 194.A O no hydrogen 2.897 N/A TYR 286.A N LEU 247.A O no hydrogen 3.085 N/A TYR 287.A OH LEU 166.A O no hydrogen 2.519 N/A VAL 294.A N GLY 242.A O no hydrogen 2.749 N/A MET 296.A N SER 241.A OG no hydrogen 3.374 N/A GLN 298.A N GLU 295.A O no hydrogen 2.811 N/A PHE 300.A N ALA 236.A O no hydrogen 2.914 N/A ILE 302.A N ARG 234.A O no hydrogen 2.895 N/A VAL 303.A N SER 314.A O no hydrogen 2.820 N/A CYS 304.A N PHE 232.A O no hydrogen 2.755 N/A CYS 304.A SG ILE 302.A O no hydrogen 3.867 N/A ASN 305.A N TRP 312.A O no hydrogen 2.901 N/A ASN 305.A ND2 TRP 312.A O no hydrogen 3.144 N/A ASN 305.A ND2 SER 314.A OG no hydrogen 3.249 N/A HIS 306.A N GLU 230.A O no hydrogen 3.070 N/A HIS 306.A ND1 ASP 307.A O no hydrogen 2.916 N/A HIS 306.A NE2 GLU 230.A OE1 no hydrogen 2.857 N/A ASP 307.A N SER 310.A O no hydrogen 2.925 N/A PHE 309.A N ASP 307.A OD1 no hydrogen 3.296 N/A TRP 312.A N ASN 305.A O no hydrogen 2.931 N/A TRP 312.A NE1 LYS 320.A O no hydrogen 2.875 N/A SER 314.A N VAL 303.A O no hydrogen 2.946 N/A LYS 318.A N ASN 315.A O no hydrogen 3.303 N/A SER 321.A OG ASP 319.A OD1 no hydrogen 3.448 N/A SER 321.A OG ASP 319.A OD2 no hydrogen 3.500 N/A CYS 325.A SG HIS 330.A ND1 no hydrogen 3.719 N/A CYS 327.A SG HIS 330.A ND1 no hydrogen 3.648 N/A HIS 330.A NE2 ASN 170.A O no hydrogen 2.535 N/A SER 331.A OG GLY 328.A O no hydrogen 3.118 N/A MET 332.A N LEU 329.A O no hydrogen 3.345 N/A LEU 333.A N LEU 329.A O no hydrogen 3.040 N/A SER 334.A OG THR 337.A OG1 no hydrogen 2.748 N/A ARG 335.A NH1 PHE 169.A O no hydrogen 2.767 N/A GLN 336.A N GLN 336.A OE1 no hydrogen 2.711 N/A THR 337.A N SER 334.A O no hydrogen 2.816 N/A THR 337.A OG1 SER 334.A OG no hydrogen 2.748 N/A VAL 338.A N SER 334.A O no hydrogen 3.256 N/A TYR 339.A N ARG 335.A O no hydrogen 3.122 N/A HIS 340.A N GLN 336.A O no hydrogen 2.894 N/A HIS 340.A NE2 GLU 427.A OE2 no hydrogen 2.596 N/A VAL 341.A N THR 337.A O no hydrogen 2.958 N/A ASN 342.A N VAL 338.A O no hydrogen 2.995 N/A GLU 343.A N TYR 339.A O no hydrogen 2.889 N/A MET 344.A N HIS 340.A O no hydrogen 2.935 N/A PHE 345.A N VAL 341.A O no hydrogen 2.802 N/A GLU 346.A N GLU 343.A O no hydrogen 3.238 N/A ASN 347.A N MET 344.A O no hydrogen 3.110 N/A ASN 347.A ND2 GLU 343.A OE2 no hydrogen 2.891 N/A PHE 350.A N ASN 347.A OD1 no hydrogen 2.798 N/A LYS 351.A N ASN 347.A O no hydrogen 2.919 N/A LYS 351.A NZ PHE 345.A O no hydrogen 3.198 N/A ASP 352.A N GLN 348.A O no hydrogen 2.923 N/A GLU 353.A N LYS 349.A O no hydrogen 3.152 N/A VAL 354.A N PHE 350.A O no hydrogen 2.839 N/A ASP 355.A N LYS 351.A O no hydrogen 2.899 N/A LYS 356.A N ASP 352.A O no hydrogen 2.891 N/A LEU 357.A N GLU 353.A O no hydrogen 2.929 N/A SER 358.A N VAL 354.A O no hydrogen 2.914 N/A SER 358.A N ASP 355.A O no hydrogen 3.226 N/A SER 358.A OG VAL 354.A O no hydrogen 2.728 N/A GLY 360.A N THR 379.A O no hydrogen 2.831 N/A LEU 361.A N SER 358.A O no hydrogen 2.885 N/A HIS 362.A N ASP 422.A OD2 no hydrogen 2.748 N/A HIS 362.A NE2 THR 384.A OG1 no hydrogen 2.779 N/A VAL 363.A N ARG 382.A O no hydrogen 2.773 N/A ALA 364.A N ILE 423.A O no hydrogen 3.066 N/A THR 365.A N THR 384.A O no hydrogen 2.981 N/A THR 365.A OG1 LEU 425.A O no hydrogen 3.555 N/A GLU 368.A N PHE 429.A O no hydrogen 2.802 N/A GLY 369.A N ASP 387.A OD2 no hydrogen 2.484 N/A SER 370.A OG GLU 427.A OE1 no hydrogen 2.512 N/A LEU 374.A N PHE 371.A O no hydrogen 3.110 N/A LEU 375.A N LEU 372.A O no hydrogen 2.979 N/A ALA 376.A N LEU 372.A O no hydrogen 3.007 N/A ALA 377.A N GLY 373.A O no hydrogen 3.010 N/A LYS 378.A N LEU 375.A O no hydrogen 3.383 N/A THR 379.A N ALA 376.A O no hydrogen 3.391 N/A ALA 380.A N ALA 376.A O no hydrogen 3.121 N/A LYS 381.A N LEU 361.A O no hydrogen 3.032 N/A LYS 381.A NZ GLY 360.A O no hydrogen 3.514 N/A ARG 382.A N LEU 361.A O no hydrogen 3.201 N/A ARG 382.A NH1 ASP 419.A OD2 no hydrogen 3.037 N/A ARG 382.A NH2 ASP 419.A OD2 no hydrogen 3.197 N/A VAL 383.A N ASN 407.A O no hydrogen 2.951 N/A THR 384.A N VAL 363.A O no hydrogen 2.755 N/A THR 384.A OG1 HIS 362.A NE2 no hydrogen 2.779 N/A ILE 385.A N GLU 409.A O no hydrogen 2.809 N/A ILE 386.A N THR 365.A O no hydrogen 3.134 N/A ASP 387.A N ILE 411.A O no hydrogen 2.921 N/A ASN 389.A N ASP 387.A OD1 no hydrogen 2.880 N/A ASN 389.A ND2 GLU 368.A OE2 no hydrogen 3.281 N/A ARG 391.A N ASN 389.A OD1 no hydrogen 2.645 N/A PHE 392.A N ASN 389.A OD1 no hydrogen 3.108 N/A ARG 393.A N ASN 389.A O no hydrogen 3.005 N/A ARG 393.A NH1 ASP 387.A O no hydrogen 2.793 N/A ASP 394.A N GLU 390.A O no hydrogen 3.089 N/A ILE 395.A N ARG 391.A O no hydrogen 3.069 N/A PHE 396.A N PHE 392.A O no hydrogen 2.859 N/A PHE 397.A N ARG 393.A O no hydrogen 2.963 N/A LYS 398.A N ASP 394.A O no hydrogen 3.152 N/A TYR 399.A N ILE 395.A O no hydrogen 3.071 N/A TYR 399.A OH PRO 173.A O no hydrogen 2.704 N/A ILE 400.A N PHE 396.A O no hydrogen 2.869 N/A HIS 401.A N PHE 397.A O no hydrogen 3.149 N/A TYR 402.A N LYS 398.A O no hydrogen 2.876 N/A TYR 403.A N TYR 399.A O no hydrogen 2.945 N/A TYR 403.A OH GLU 181.A OE1 no hydrogen 2.516 N/A LYS 404.A N HIS 401.A O no hydrogen 3.094 N/A LEU 405.A N ILE 400.A O no hydrogen 2.780 N/A ASN 407.A ND2 ALA 377.A O no hydrogen 3.103 N/A ASN 407.A ND2 ALA 380.A O no hydrogen 3.033 N/A VAL 408.A N LEU 405.A O no hydrogen 3.136 N/A GLU 409.A N VAL 383.A O no hydrogen 2.915 N/A ILE 411.A N ILE 385.A O no hydrogen 2.862 N/A SER 416.A N LYS 413.A O no hydrogen 2.979 N/A LEU 417.A N VAL 414.A O no hydrogen 3.311 N/A ASP 422.A N HIS 362.A O no hydrogen 3.024 N/A ILE 423.A N HIS 362.A O no hydrogen 3.397 N/A VAL 424.A N ARG 458.A O no hydrogen 2.991 N/A LEU 425.A N ALA 364.A O no hydrogen 2.842 N/A ALA 426.A N GLU 460.A O no hydrogen 2.887 N/A TYR 430.A OH ASP 445.A OD2 no hydrogen 2.575 N/A MET 431.A N GLU 368.A O no hydrogen 2.908 N/A ALA 433.A N TYR 430.A O no hydrogen 3.050 N/A ASN 435.A ND2 ASN 438.A OD1 no hydrogen 2.985 N/A ASN 438.A N ASN 435.A O no hydrogen 3.004 N/A HIS 439.A N PRO 436.A O no hydrogen 3.500 N/A LEU 440.A N TRP 437.A O no hydrogen 2.844 N/A ARG 441.A N ASN 438.A O no hydrogen 3.443 N/A ARG 441.A NH1 GLU 368.A OE1 no hydrogen 3.034 N/A ARG 441.A NH1 SER 432.A OG no hydrogen 3.144 N/A PHE 442.A N HIS 439.A O no hydrogen 2.927 N/A LEU 443.A N LEU 440.A O no hydrogen 2.839 N/A TYR 444.A N ARG 441.A O no hydrogen 2.968 N/A TYR 444.A OH LYS 612.A O no hydrogen 2.683 N/A ASP 445.A N ARG 441.A O no hydrogen 3.185 N/A VAL 446.A N PHE 442.A O no hydrogen 2.912 N/A GLU 447.A N LEU 443.A O no hydrogen 2.911 N/A VAL 448.A N TYR 444.A O no hydrogen 3.257 N/A LEU 449.A N ASP 445.A O no hydrogen 2.927 N/A LYS 450.A N VAL 446.A O no hydrogen 2.799 N/A LYS 450.A NZ ILE 533.A O no hydrogen 2.792 N/A MET 451.A N GLU 447.A O no hydrogen 2.865 N/A MET 452.A N VAL 448.A O no hydrogen 3.024 N/A HIS 453.A N LEU 449.A O no hydrogen 2.820 N/A HIS 453.A NE2 LEU 417.A O no hydrogen 2.920 N/A LEU 457.A N GLY 454.A O no hydrogen 3.407 N/A ARG 458.A NH1 GLU 460.A OE1 no hydrogen 3.233 N/A ARG 458.A NH2 GLU 460.A OE1 no hydrogen 3.308 N/A GLU 460.A N VAL 424.A O no hydrogen 2.864 N/A HIS 462.A N GLU 562.A O no hydrogen 2.904 N/A HIS 462.A NE2 GLY 564.A O no hydrogen 3.192 N/A GLY 464.A N PHE 531.A O no hydrogen 2.983 N/A VAL 465.A N GLU 560.A O no hydrogen 2.733 N/A LEU 466.A N LEU 529.A O no hydrogen 2.819 N/A LYS 467.A N TRP 558.A O no hydrogen 2.969 N/A ALA 468.A N VAL 526.A O no hydrogen 2.998 N/A ILE 469.A N PRO 556.A O no hydrogen 3.047 N/A GLU 471.A N ALA 554.A O no hydrogen 2.877 N/A LYS 472.A N ILE 520.A O no hydrogen 2.859 N/A PHE 473.A N ASN 553.A OD1 no hydrogen 2.636 N/A GLU 474.A N ALA 518.A O no hydrogen 2.921 N/A GLN 477.A NE2 PHE 473.A O no hydrogen 3.343 N/A ASN 478.A N ASP 475.A O no hydrogen 3.060 N/A ASN 478.A ND2 SER 481.A OG no hydrogen 3.129 N/A ILE 479.A N LEU 476.A O no hydrogen 2.962 N/A ALA 480.A N GLN 477.A O no hydrogen 3.161 N/A SER 481.A N GLN 477.A O no hydrogen 3.353 N/A VAL 483.A N ASP 495.A OD1 no hydrogen 2.782 N/A GLY 484.A N ASP 495.A OD2 no hydrogen 2.888 N/A VAL 486.A N PHE 489.A O no hydrogen 2.895 N/A ASN 487.A ND2 ASN 23.A OD1 no hydrogen 3.682 N/A PHE 489.A N VAL 486.A O no hydrogen 2.803 N/A LEU 491.A N GLY 484.A O no hydrogen 2.994 N/A SER 492.A N ASP 490.A OD1 no hydrogen 2.822 N/A SER 492.A OG ASP 490.A OD1 no hydrogen 2.648 N/A SER 492.A OG ASP 490.A OD2 no hydrogen 3.553 N/A PHE 494.A N LEU 491.A O no hydrogen 2.957 N/A GLU 496.A N SER 492.A O no hydrogen 3.118 N/A ILE 497.A N PHE 493.A O no hydrogen 3.275 N/A SER 498.A N PHE 494.A O no hydrogen 2.691 N/A THR 499.A N ASP 495.A O no hydrogen 2.681 N/A THR 499.A OG1 ASP 495.A O no hydrogen 2.948 N/A LYS 500.A N GLU 496.A O no hydrogen 2.947 N/A ALA 501.A N ILE 497.A O no hydrogen 3.135 N/A ARG 502.A N SER 498.A O no hydrogen 3.064 N/A ARG 502.A N THR 499.A O no hydrogen 3.235 N/A ARG 502.A NH1 ALA 480.A O no hydrogen 3.313 N/A THR 503.A N THR 499.A O no hydrogen 2.770 N/A THR 503.A OG1 THR 499.A O no hydrogen 3.155 N/A ALA 504.A N LYS 500.A O no hydrogen 3.001 N/A THR 505.A OG1 ALA 501.A O no hydrogen 2.474 N/A ASP 506.A N ARG 502.A O no hydrogen 3.012 N/A ASP 510.A N VAL 591.A O no hydrogen 2.864 N/A GLU 511.A N ASP 510.A OD1 no hydrogen 2.718 N/A GLN 512.A N GLN 589.A O no hydrogen 2.816 N/A GLN 512.A NE2 ASP 510.A OD2 no hydrogen 3.216 N/A LEU 514.A N GLN 589.A OE1 no hydrogen 2.983 N/A GLU 516.A N SER 513.A O no hydrogen 3.082 N/A TYR 517.A N LEU 514.A O no hydrogen 2.870 N/A TYR 517.A OH ASP 279.A OD1 no hydrogen 2.588 N/A ILE 520.A N LYS 472.A O no hydrogen 2.886 N/A VAL 521.A N GLY 579.A O no hydrogen 2.825 N/A LYS 522.A N PRO 470.A O no hydrogen 2.928 N/A VAL 526.A N ALA 468.A O no hydrogen 2.782 N/A ILE 528.A N LEU 466.A O no hydrogen 2.894 N/A ARG 530.A NH1 GLU 527.A OE1 no hydrogen 3.192 N/A PHE 531.A N GLY 464.A O no hydrogen 2.741 N/A GLN 540.A N PHE 610.A O no hydrogen 3.031 N/A CYS 542.A N ALA 608.A O no hydrogen 2.855 N/A CYS 542.A SG ILE 528.A O no hydrogen 3.430 N/A VAL 544.A N LEU 606.A O no hydrogen 2.986 N/A ILE 546.A N LEU 604.A O no hydrogen 2.794 N/A SER 552.A N MET 549.A O no hydrogen 3.137 N/A SER 552.A OG ASN 548.A O no hydrogen 2.820 N/A ASN 553.A N GLU 471.A O no hydrogen 3.051 N/A ASN 553.A ND2 PHE 473.A O no hydrogen 2.916 N/A ALA 554.A N GLU 471.A O no hydrogen 3.117 N/A ILE 555.A N TYR 592.A O no hydrogen 2.816 N/A MET 557.A N GLY 590.A O no hydrogen 2.676 N/A TRP 558.A N LYS 467.A O no hydrogen 2.947 N/A TRP 558.A NE1 GLU 560.A OE1 no hydrogen 2.891 N/A MET 559.A N THR 570.A OG1 no hydrogen 3.040 N/A GLU 560.A N VAL 465.A O no hydrogen 2.919 N/A TRP 561.A N LEU 568.A O no hydrogen 2.822 N/A GLU 562.A N MET 463.A O no hydrogen 2.810 N/A PHE 563.A N ILE 566.A O no hydrogen 2.910 N/A GLY 564.A N GLU 460.A OE2 no hydrogen 2.664 N/A GLY 565.A N GLU 353.A OE2 no hydrogen 3.074 N/A ILE 566.A N PHE 563.A O no hydrogen 2.853 N/A ASN 567.A ND2 GLU 560.A OE2 no hydrogen 3.143 N/A LEU 568.A N TRP 561.A O no hydrogen 2.736 N/A SER 569.A OG LEU 572.A O no hydrogen 2.821 N/A THR 570.A N MET 559.A O no hydrogen 2.799 N/A THR 570.A OG1 MET 559.A O no hydrogen 3.058 N/A GLY 571.A N SER 569.A OG no hydrogen 2.988 N/A LEU 573.A N GLU 582.A O no hydrogen 2.856 N/A SER 574.A OG GLU 582.A OE1 no hydrogen 3.064 N/A SER 576.A N VAL 580.A O no hydrogen 2.809 N/A GLY 579.A N SER 576.A O no hydrogen 2.855 N/A VAL 580.A N SER 576.A OG no hydrogen 3.057 N/A GLU 582.A N SER 574.A O no hydrogen 2.684 N/A ASN 584.A N GLY 571.A O no hydrogen 2.834 N/A ASN 584.A ND2 SER 569.A O no hydrogen 2.813 N/A GLY 586.A N ASN 584.A OD1 no hydrogen 2.730 N/A GLN 589.A N GLN 512.A O no hydrogen 2.758 N/A GLN 589.A NE2 THR 570.A O no hydrogen 3.049 N/A GLN 589.A NE2 ASN 584.A O no hydrogen 3.202 N/A GLN 589.A NE2 TYR 587.A O no hydrogen 3.055 N/A GLY 590.A N MET 557.A O no hydrogen 3.109 N/A VAL 591.A N ASP 510.A O no hydrogen 2.968 N/A TYR 592.A N ILE 555.A O no hydrogen 2.955 N/A ILE 595.A N TYR 592.A OH no hydrogen 3.166 N/A THR 596.A OG1 ASP 482.A OD2 no hydrogen 3.451 N/A LEU 598.A N ILE 595.A O no hydrogen 2.712 N/A ARG 599.A N THR 596.A O no hydrogen 3.177 N/A ASP 601.A N LEU 598.A O no hydrogen 3.067 N/A SER 603.A OG SER 624.A OG no hydrogen 2.595 N/A LEU 604.A N ILE 546.A O no hydrogen 3.121 N/A CYS 605.A N GLY 622.A O no hydrogen 2.999 N/A CYS 605.A SG HIS 607.A NE2 no hydrogen 3.565 N/A LEU 606.A N VAL 544.A O no hydrogen 2.840 N/A HIS 607.A N GLN 620.A O no hydrogen 2.785 N/A ALA 608.A N CYS 542.A O no hydrogen 3.164 N/A LEU 609.A N ASN 618.A O no hydrogen 2.989 N/A PHE 610.A N GLN 540.A O no hydrogen 2.859 N/A ASP 611.A N ASP 616.A O no hydrogen 2.840 N/A LYS 612.A N SER 539.A OG no hydrogen 2.911 N/A SER 613.A N ASP 611.A OD1 no hydrogen 2.790 N/A THR 614.A N ASP 611.A O no hydrogen 2.905 N/A THR 614.A OG1 ASP 611.A O no hydrogen 3.464 N/A GLY 615.A N ASP 611.A O no hydrogen 2.805 N/A ASP 616.A N THR 614.A OG1 no hydrogen 3.023 N/A ILE 617.A N ASP 616.A OD1 no hydrogen 3.087 N/A ASN 618.A N LEU 609.A O no hydrogen 2.837 N/A GLN 620.A N HIS 607.A O no hydrogen 2.918 N/A GLY 622.A N CYS 605.A O no hydrogen 3.004 N/A SER 624.A OG ASN 545.A OD1 no hydrogen 3.092 N/A SER 624.A OG SER 603.A O no hydrogen 3.407 N/A SER 624.A OG SER 603.A OG no hydrogen 2.595 N/A