Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fa6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A OG no hydrogen 3.090 N/A LYS 6.A N SER 2.A O no hydrogen 3.079 N/A LYS 6.A NZ GLU 288.A O no hydrogen 3.202 N/A MET 7.A N PHE 3.A O no hydrogen 2.988 N/A LYS 8.A N VAL 4.A O no hydrogen 3.098 N/A LYS 8.A NZ GLU 5.A OE2 no hydrogen 3.160 N/A LYS 8.A NZ GLU 61.A OE2 no hydrogen 2.654 N/A LYS 9.A N GLU 5.A O no hydrogen 3.004 N/A LYS 9.A NZ GLU 288.A OE2 no hydrogen 3.323 N/A THR 10.A N MET 7.A O no hydrogen 3.189 N/A THR 10.A OG1 LYS 6.A O no hydrogen 2.740 N/A THR 10.A OG1 MET 7.A O no hydrogen 3.493 N/A GLY 11.A N LYS 8.A O no hydrogen 3.379 N/A ARG 12.A N MET 7.A O no hydrogen 2.914 N/A ARG 12.A NE THR 10.A O no hydrogen 3.026 N/A ARG 12.A NH2 ASP 286.A OD1 no hydrogen 3.141 N/A ASN 13.A N ARG 42.A O no hydrogen 2.888 N/A ASN 13.A ND2 ASN 64.A O no hydrogen 3.144 N/A ILE 14.A N ARG 42.A O no hydrogen 3.255 N/A ILE 15.A N LEU 66.A O no hydrogen 2.941 N/A VAL 16.A N MET 44.A O no hydrogen 3.027 N/A PHE 17.A N VAL 68.A O no hydrogen 2.795 N/A TYR 18.A N ALA 46.A O no hydrogen 3.054 N/A GLY 19.A N CYS 70.A O no hydrogen 2.917 N/A SER 20.A N ASN 82.A OD1 no hydrogen 3.011 N/A GLN 21.A NE2 TYR 389.A OH no hydrogen 3.447 N/A GLU 27.A N GLY 23.A O no hydrogen 2.876 N/A PHE 28.A N THR 24.A O no hydrogen 2.921 N/A ALA 29.A N ALA 25.A O no hydrogen 2.806 N/A ASN 30.A N GLU 26.A O no hydrogen 2.878 N/A ARG 31.A N GLU 27.A O no hydrogen 3.012 N/A ARG 31.A NH1 GLU 147.A OE1 no hydrogen 3.125 N/A ARG 31.A NH2 GLU 147.A OE2 no hydrogen 3.191 N/A LEU 32.A N PHE 28.A O no hydrogen 3.052 N/A SER 33.A N ALA 29.A O no hydrogen 3.023 N/A LYS 34.A N ASN 30.A O no hydrogen 2.976 N/A ASP 35.A N ARG 31.A O no hydrogen 3.196 N/A ASP 35.A N LEU 32.A O no hydrogen 2.885 N/A ALA 36.A N SER 33.A O no hydrogen 3.286 N/A ARG 38.A N ASP 35.A O no hydrogen 2.870 N/A ARG 38.A NH1 TYR 39.A OH no hydrogen 3.046 N/A TYR 39.A N ALA 36.A O no hydrogen 2.858 N/A MET 41.A N ALA 36.A O no hydrogen 3.117 N/A ARG 42.A N ASN 13.A OD1 no hydrogen 2.923 N/A MET 44.A N ILE 14.A O no hydrogen 3.118 N/A SER 45.A OG ASN 30.A OD1 no hydrogen 2.954 N/A ALA 46.A N VAL 16.A O no hydrogen 2.919 N/A GLU 49.A N ASP 47.A OD1 no hydrogen 2.936 N/A GLU 50.A N ASP 47.A O no hydrogen 2.986 N/A TYR 51.A N PRO 48.A O no hydrogen 3.126 N/A ALA 54.A N ASP 52.A OD1 no hydrogen 3.172 N/A ASP 55.A N ASP 52.A O no hydrogen 2.864 N/A LEU 56.A N LEU 53.A O no hydrogen 3.055 N/A SER 57.A OG ALA 54.A O no hydrogen 3.381 N/A SER 58.A N ASP 55.A O no hydrogen 2.909 N/A LEU 59.A N LEU 56.A O no hydrogen 3.046 N/A GLU 61.A N SER 58.A O no hydrogen 2.951 N/A ILE 62.A N LEU 59.A O no hydrogen 2.969 N/A ALA 65.A N ILE 62.A O no hydrogen 3.187 N/A LEU 66.A N ASN 13.A O no hydrogen 2.876 N/A VAL 67.A N LYS 101.A O no hydrogen 2.960 N/A VAL 68.A N ILE 15.A O no hydrogen 2.849 N/A PHE 69.A N ALA 103.A O no hydrogen 3.003 N/A CYS 70.A N PHE 17.A O no hydrogen 2.892 N/A MET 71.A N PHE 105.A O no hydrogen 3.272 N/A ALA 72.A N GLY 19.A O no hydrogen 3.210 N/A THR 73.A N LEU 107.A O no hydrogen 2.994 N/A TYR 74.A N ASP 78.A O no hydrogen 2.854 N/A GLY 77.A N TYR 74.A O no hydrogen 3.226 N/A THR 80.A OG1 ASN 82.A OD1 no hydrogen 2.626 N/A ASN 82.A ND2 TYR 18.A O no hydrogen 2.891 N/A ASN 82.A ND2 ASP 47.A OD1 no hydrogen 3.096 N/A ALA 83.A N THR 80.A O no hydrogen 2.944 N/A GLN 84.A N ASP 81.A O no hydrogen 3.403 N/A TYR 87.A N ALA 83.A O no hydrogen 2.907 N/A ASP 88.A N GLN 84.A O no hydrogen 2.954 N/A TRP 89.A N ASP 85.A O no hydrogen 2.962 N/A LEU 90.A N PHE 86.A O no hydrogen 2.894 N/A GLN 91.A N TYR 87.A O no hydrogen 3.120 N/A GLN 91.A N ASP 88.A O no hydrogen 3.307 N/A GLU 92.A N ASP 88.A O no hydrogen 3.338 N/A THR 93.A N TRP 89.A O no hydrogen 3.139 N/A VAL 95.A N THR 93.A OG1 no hydrogen 3.076 N/A LEU 97.A N LEU 129.A O no hydrogen 2.949 N/A SER 98.A N ASP 96.A OD1 no hydrogen 2.849 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.742 N/A VAL 100.A N LEU 97.A O no hydrogen 3.188 N/A LYS 101.A NZ HIS 164.A NE2 no hydrogen 3.033 N/A PHE 102.A N GLN 132.A O no hydrogen 3.006 N/A ALA 103.A N VAL 67.A O no hydrogen 3.179 N/A PHE 105.A N PHE 69.A O no hydrogen 2.846 N/A GLY 106.A N GLY 138.A O no hydrogen 2.607 N/A LEU 107.A N MET 71.A O no hydrogen 2.534 N/A GLY 108.A N GLY 140.A O no hydrogen 2.736 N/A LYS 110.A N ASP 141.A OD1 no hydrogen 2.942 N/A LYS 110.A NZ ASP 141.A OD2 no hydrogen 3.125 N/A THR 111.A N ASN 109.A OD1 no hydrogen 2.738 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.618 N/A TYR 112.A N ASN 109.A O no hydrogen 3.032 N/A TYR 112.A OH VAL 604.A O no hydrogen 3.228 N/A ASN 116.A ND2 GLY 106.A O no hydrogen 3.664 N/A ASN 116.A ND2 GLY 140.A O no hydrogen 3.190 N/A MET 118.A N THR 73.A OG1 no hydrogen 3.039 N/A LYS 120.A N ASN 116.A O no hydrogen 3.046 N/A LYS 120.A NZ PHE 115.A O no hydrogen 3.374 N/A TYR 121.A N ALA 117.A O no hydrogen 2.922 N/A VAL 122.A N MET 118.A O no hydrogen 2.844 N/A ASP 123.A N GLY 119.A O no hydrogen 2.829 N/A LYS 124.A N LYS 120.A O no hydrogen 2.875 N/A ARG 125.A N TYR 121.A O no hydrogen 2.805 N/A ARG 125.A NE LEU 90.A O no hydrogen 2.632 N/A ARG 125.A NH1 GLN 128.A OE1 no hydrogen 2.760 N/A ARG 125.A NH2 LEU 90.A O no hydrogen 3.001 N/A LEU 126.A N VAL 122.A O no hydrogen 3.052 N/A GLN 128.A N LYS 124.A O no hydrogen 3.262 N/A LEU 129.A N ARG 125.A O no hydrogen 3.083 N/A GLY 130.A N GLU 127.A O no hydrogen 2.741 N/A ALA 131.A N LEU 126.A O no hydrogen 2.909 N/A GLN 132.A N VAL 100.A O no hydrogen 2.816 N/A ARG 133.A NH1 ASP 123.A OD2 no hydrogen 3.134 N/A ARG 133.A NH2 GLU 127.A OE2 no hydrogen 2.563 N/A ILE 134.A N PHE 102.A O no hydrogen 2.850 N/A GLY 138.A N VAL 104.A O no hydrogen 2.750 N/A GLY 140.A N GLY 106.A O no hydrogen 2.680 N/A ASP 141.A N ASP 149.A OD2 no hydrogen 2.758 N/A ASP 142.A N GLY 108.A O no hydrogen 2.800 N/A ASP 143.A N ASP 141.A OD1 no hydrogen 2.961 N/A GLY 144.A N ASP 141.A O no hydrogen 3.099 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 2.825 N/A ASP 149.A N ASN 145.A O no hydrogen 3.010 N/A PHE 150.A N LEU 146.A O no hydrogen 2.790 N/A ILE 151.A N GLU 147.A O no hydrogen 2.884 N/A THR 152.A N GLU 148.A O no hydrogen 2.857 N/A THR 152.A OG1 GLU 148.A O no hydrogen 2.978 N/A TRP 153.A N ASP 149.A O no hydrogen 2.991 N/A TRP 153.A NE1 GLU 136.A O no hydrogen 3.041 N/A ARG 154.A N PHE 150.A O no hydrogen 2.852 N/A ARG 154.A NH1 ASP 35.A OD2 no hydrogen 3.412 N/A GLU 155.A N ILE 151.A O no hydrogen 3.075 N/A GLN 156.A N TRP 153.A O no hydrogen 3.098 N/A PHE 157.A N TRP 153.A O no hydrogen 2.891 N/A TRP 158.A N ARG 154.A O no hydrogen 3.234 N/A TRP 158.A NE1 ASP 35.A OD2 no hydrogen 3.083 N/A ALA 160.A N GLN 156.A O no hydrogen 3.407 N/A VAL 161.A N PHE 157.A O no hydrogen 2.909 N/A CYS 162.A N TRP 158.A O no hydrogen 2.793 N/A CYS 162.A SG TRP 158.A O no hydrogen 3.568 N/A GLU 163.A N PRO 159.A O no hydrogen 2.876 N/A HIS 164.A N ALA 160.A O no hydrogen 3.133 N/A PHE 165.A N VAL 161.A O no hydrogen 3.008 N/A GLY 166.A N CYS 162.A O no hydrogen 2.791 N/A VAL 167.A N CYS 162.A O no hydrogen 3.120 N/A THR 170.A N ARG 38.A O no hydrogen 3.036 N/A SER 174.A N GLU 172.A O no hydrogen 2.583 N/A ARG 177.A NE GLU 380.A OE2 no hydrogen 3.038 N/A ARG 177.A NH1 ASP 376.A OD2 no hydrogen 2.699 N/A ARG 177.A NH2 ASP 376.A OD2 no hydrogen 3.419 N/A ARG 177.A NH2 GLU 380.A OE2 no hydrogen 2.995 N/A GLN 178.A N GLU 380.A OE1 no hydrogen 2.677 N/A GLN 178.A NE2 ASN 284.A OD1 no hydrogen 3.179 N/A TYR 179.A N GLU 380.A OE2 no hydrogen 3.107 N/A GLU 180.A N ASN 283.A O no hydrogen 2.843 N/A VAL 182.A N SER 281.A O no hydrogen 2.878 N/A HIS 184.A N VAL 279.A O no hydrogen 3.287 N/A HIS 184.A ND1 VAL 182.A O no hydrogen 3.255 N/A LYS 191.A N ASP 188.A O no hydrogen 3.186 N/A VAL 192.A N ALA 189.A O no hydrogen 3.168 N/A TYR 193.A N PRO 298.A O no hydrogen 3.158 N/A TYR 193.A OH GLY 198.A O no hydrogen 2.611 N/A MET 194.A N GLU 196.A OE1 no hydrogen 2.542 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.798 N/A LYS 201.A N GLU 196.A OE2 no hydrogen 2.807 N/A LYS 201.A NZ ALA 189.A O no hydrogen 3.211 N/A SER 202.A OG MET 197.A O no hydrogen 3.088 N/A SER 202.A OG ARG 199.A O no hydrogen 2.875 N/A ASN 205.A N LYS 201.A O no hydrogen 2.760 N/A GLN 206.A NE2 SER 202.A O no hydrogen 2.942 N/A GLN 206.A NE2 PRO 215.A O no hydrogen 3.013 N/A ASP 211.A N ASN 214.A O no hydrogen 3.022 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 2.779 N/A ASN 214.A N ASP 211.A O no hydrogen 3.106 N/A ASN 214.A ND2 LYS 207.A O no hydrogen 2.740 N/A ASN 214.A ND2 PRO 209.A O no hydrogen 2.730 N/A PHE 216.A N MET 440.A O no hydrogen 3.049 N/A LEU 217.A N GLN 206.A OE1 no hydrogen 2.601 N/A ALA 218.A N VAL 438.A O no hydrogen 2.787 N/A VAL 220.A N ALA 436.A O no hydrogen 3.196 N/A THR 221.A N GLU 238.A O no hydrogen 3.039 N/A THR 221.A OG1 THR 222.A OG1 no hydrogen 3.423 N/A THR 222.A OG1 THR 221.A OG1 no hydrogen 3.423 N/A THR 222.A OG1 GLU 238.A OE2 no hydrogen 3.191 N/A ASN 223.A ND2 LEU 428.A O no hydrogen 2.993 N/A ASN 223.A ND2 ARG 429.A O no hydrogen 3.645 N/A ASN 223.A ND2 LYS 431.A O no hydrogen 2.951 N/A ARG 224.A N HIS 236.A O no hydrogen 3.166 N/A LYS 225.A NZ ASN 227.A OD1 no hydrogen 3.169 N/A LYS 225.A NZ GLY 229.A O no hydrogen 3.323 N/A LEU 226.A N LEU 234.A O no hydrogen 2.585 N/A ASN 227.A ND2 ARG 232.A O no hydrogen 3.051 N/A GLN 228.A N GLU 500.A O no hydrogen 3.023 N/A THR 230.A N GLU 231.A OE2 no hydrogen 3.018 N/A ARG 232.A NH2 ASP 501.A OD2 no hydrogen 2.858 N/A LEU 234.A N ASN 227.A OD1 no hydrogen 3.048 N/A MET 235.A N ALA 407.A O no hydrogen 2.847 N/A HIS 236.A N ARG 224.A O no hydrogen 3.023 N/A HIS 236.A ND1 TYR 504.A OH no hydrogen 2.547 N/A HIS 236.A NE2 GLU 238.A OE1 no hydrogen 2.988 N/A LEU 237.A N ILE 405.A O no hydrogen 2.766 N/A GLU 238.A N THR 222.A O no hydrogen 3.292 N/A LEU 239.A N VAL 403.A O no hydrogen 2.918 N/A ASP 240.A N ALA 219.A O no hydrogen 2.797 N/A ILE 241.A N ASN 401.A O no hydrogen 3.057 N/A SER 242.A N ASP 240.A OD1 no hydrogen 3.221 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.792 N/A SER 244.A OG ILE 241.A O no hydrogen 2.683 N/A ILE 246.A N SER 244.A OG no hydrogen 3.114 N/A TYR 248.A OH SER 394.A OG no hydrogen 3.009 N/A TYR 248.A OH HIS 399.A O no hydrogen 2.792 N/A TYR 248.A OH SER 402.A O no hydrogen 2.891 N/A GLU 249.A N ASP 252.A OD2 no hydrogen 2.849 N/A SER 250.A OG SER 394.A O no hydrogen 3.150 N/A ASP 252.A N GLU 249.A O no hydrogen 3.004 N/A HIS 253.A N ARG 443.A O no hydrogen 3.049 N/A HIS 253.A NE2 ASP 603.A OD1 no hydrogen 3.020 N/A VAL 254.A N TYR 390.A O no hydrogen 2.753 N/A ALA 255.A N PHE 441.A O no hydrogen 2.817 N/A VAL 256.A N ARG 388.A O no hydrogen 2.963 N/A TYR 257.A N PRO 439.A O no hydrogen 3.008 N/A TYR 257.A OH ALA 212.A O no hydrogen 2.737 N/A ASN 260.A N THR 306.A O no hydrogen 2.859 N/A ASN 260.A ND2 LEU 305.A O no hydrogen 2.771 N/A ASN 260.A ND2 LEU 309.A O no hydrogen 2.997 N/A ALA 263.A N ASP 261.A OD1 no hydrogen 2.652 N/A LEU 264.A N ASP 261.A OD1 no hydrogen 3.440 N/A VAL 265.A N ASP 261.A O no hydrogen 3.104 N/A ASN 266.A N SER 262.A O no hydrogen 3.016 N/A GLN 267.A N ALA 263.A O no hydrogen 2.746 N/A LEU 268.A N LEU 264.A O no hydrogen 3.106 N/A GLY 269.A N VAL 265.A O no hydrogen 3.155 N/A LYS 270.A N ASN 266.A O no hydrogen 2.863 N/A ILE 271.A N GLN 267.A O no hydrogen 3.057 N/A LEU 272.A N LEU 268.A O no hydrogen 3.079 N/A GLY 273.A N LYS 270.A O no hydrogen 3.396 N/A ALA 274.A N GLY 269.A O no hydrogen 2.837 N/A ASP 277.A N ASP 275.A OD1 no hydrogen 2.971 N/A VAL 278.A N ASP 275.A O no hydrogen 3.014 N/A MET 280.A N THR 299.A O no hydrogen 2.849 N/A SER 281.A N VAL 182.A O no hydrogen 3.045 N/A SER 281.A OG ASN 283.A OD1 no hydrogen 2.765 N/A ASN 283.A N GLU 180.A O no hydrogen 2.958 N/A ASN 284.A N LYS 292.A O no hydrogen 3.059 N/A ASN 284.A ND2 LYS 291.A O no hydrogen 2.899 N/A LEU 285.A N GLN 178.A O no hydrogen 2.946 N/A ASP 286.A N ASN 284.A OD1 no hydrogen 3.216 N/A GLU 287.A N GLU 287.A OE2 no hydrogen 2.685 N/A SER 289.A N ASP 286.A O no hydrogen 3.150 N/A LYS 291.A N SER 289.A OG no hydrogen 3.391 N/A LYS 291.A NZ GLU 26.A OE1 no hydrogen 2.916 N/A HIS 293.A ND1 LEU 282.A O no hydrogen 2.634 N/A CYS 297.A SG PHE 295.A O no hydrogen 3.251 N/A CYS 297.A SG PRO 296.A O no hydrogen 3.353 N/A THR 299.A N MET 280.A O no hydrogen 2.764 N/A THR 299.A OG1 TYR 193.A O no hydrogen 2.931 N/A SER 300.A OG THR 303.A OG1 no hydrogen 3.003 N/A TYR 301.A N VAL 278.A O no hydrogen 3.331 N/A ARG 302.A N LEU 276.A O no hydrogen 2.882 N/A ARG 302.A NE ASP 277.A OD1 no hydrogen 2.941 N/A ARG 302.A NH1 ASN 266.A OD1 no hydrogen 2.940 N/A ARG 302.A NH2 ASP 277.A OD2 no hydrogen 3.227 N/A THR 303.A N SER 300.A OG no hydrogen 3.066 N/A THR 303.A OG1 SER 300.A OG no hydrogen 3.003 N/A ALA 304.A N SER 300.A O no hydrogen 2.977 N/A LEU 305.A N TYR 301.A O no hydrogen 2.875 N/A THR 306.A N ARG 302.A O no hydrogen 2.973 N/A THR 306.A OG1 ARG 302.A O no hydrogen 2.812 N/A TYR 307.A N THR 303.A O no hydrogen 2.880 N/A TYR 308.A N ALA 304.A O no hydrogen 3.023 N/A TYR 308.A OH GLU 196.A O no hydrogen 2.535 N/A LEU 309.A N ALA 304.A O no hydrogen 2.869 N/A ASP 310.A N PRO 383.A O no hydrogen 2.888 N/A THR 312.A N ASP 310.A OD1 no hydrogen 3.015 N/A THR 312.A OG1 ASP 310.A OD1 no hydrogen 3.496 N/A ASN 313.A N ASP 310.A OD1 no hydrogen 3.030 N/A ASN 313.A ND2 ASP 310.A OD2 no hydrogen 2.595 N/A ARG 316.A NE GLU 27.A OE1 no hydrogen 3.057 N/A ARG 316.A NE GLU 27.A OE2 no hydrogen 3.081 N/A ARG 316.A NH2 GLU 27.A OE2 no hydrogen 2.801 N/A THR 317.A OG1 GLU 147.A OE2 no hydrogen 2.708 N/A VAL 319.A N ARG 316.A O no hydrogen 2.815 N/A LEU 320.A N ARG 316.A O no hydrogen 3.317 N/A TYR 321.A N THR 317.A O no hydrogen 2.936 N/A GLU 322.A N ASN 318.A O no hydrogen 3.435 N/A LEU 323.A N VAL 319.A O no hydrogen 3.430 N/A ALA 324.A N TYR 321.A O no hydrogen 2.895 N/A TYR 326.A N LEU 323.A O no hydrogen 2.844 N/A TYR 326.A OH HIS 377.A ND1 no hydrogen 2.646 N/A ALA 327.A N ALA 324.A O no hydrogen 3.352 N/A GLU 329.A N SER 370.A OG no hydrogen 3.230 N/A GLN 333.A N GLU 329.A O no hydrogen 2.990 N/A GLU 334.A N PRO 330.A O no hydrogen 2.805 N/A LEU 335.A N SER 331.A O no hydrogen 3.293 N/A LEU 336.A N GLU 332.A O no hydrogen 3.439 N/A ARG 337.A N GLN 333.A O no hydrogen 3.139 N/A LYS 338.A N GLU 334.A O no hydrogen 3.092 N/A LYS 338.A NZ GLU 334.A O no hydrogen 3.426 N/A MET 339.A N LEU 335.A O no hydrogen 3.263 N/A ALA 340.A N ARG 337.A O no hydrogen 3.411 N/A SER 341.A N LYS 338.A O no hydrogen 2.794 N/A SER 341.A OG LYS 338.A O no hydrogen 3.105 N/A LEU 349.A N GLU 345.A O no hydrogen 2.932 N/A TYR 350.A N GLY 346.A O no hydrogen 3.103 N/A TYR 350.A OH PRO 315.A O no hydrogen 2.945 N/A LEU 351.A N LYS 347.A O no hydrogen 2.889 N/A SER 352.A N GLU 348.A O no hydrogen 2.992 N/A TRP 353.A N LEU 349.A O no hydrogen 2.692 N/A VAL 354.A N TYR 350.A O no hydrogen 3.074 N/A VAL 355.A N TYR 350.A O no hydrogen 3.254 N/A GLU 356.A N LEU 351.A O no hydrogen 2.771 N/A ARG 358.A N VAL 355.A O no hydrogen 2.885 N/A ARG 358.A NH2 VAL 355.A O no hydrogen 2.913 N/A ARG 359.A N VAL 354.A O no hydrogen 2.962 N/A ARG 359.A NE ASP 367.A OD2 no hydrogen 2.641 N/A ARG 359.A NH1 TRP 353.A O no hydrogen 2.858 N/A ARG 359.A NH2 ASP 367.A OD2 no hydrogen 3.299 N/A ALA 363.A N HIS 360.A ND1 no hydrogen 2.881 N/A ILE 364.A N HIS 360.A O no hydrogen 3.062 N/A LEU 365.A N ILE 361.A O no hydrogen 2.968 N/A GLN 366.A N LEU 362.A O no hydrogen 3.024 N/A GLN 366.A N ALA 363.A O no hydrogen 3.256 N/A ASP 367.A N ALA 363.A O no hydrogen 2.914 N/A SER 370.A N GLU 332.A OE1 no hydrogen 2.990 N/A SER 370.A OG GLU 332.A OE1 no hydrogen 2.624 N/A LEU 371.A N CYS 368.A O no hydrogen 2.882 N/A ARG 372.A N TYR 326.A O no hydrogen 2.796 N/A ARG 372.A NH2 PRO 369.A O no hydrogen 2.690 N/A HIS 377.A N PRO 374.A O no hydrogen 3.111 N/A HIS 377.A ND1 TYR 326.A OH no hydrogen 2.646 N/A LEU 378.A N PRO 374.A O no hydrogen 3.214 N/A CYS 379.A N ILE 375.A O no hydrogen 3.022 N/A CYS 379.A SG ILE 375.A O no hydrogen 3.305 N/A GLU 380.A N HIS 377.A O no hydrogen 2.991 N/A LEU 381.A N HIS 377.A O no hydrogen 3.150 N/A LEU 381.A N LEU 378.A O no hydrogen 3.076 N/A LEU 382.A N LEU 378.A O no hydrogen 2.973 N/A ARG 384.A NE TYR 308.A O no hydrogen 2.995 N/A LEU 385.A N TYR 308.A O no hydrogen 2.708 N/A GLN 386.A NE2 ARG 384.A O no hydrogen 3.422 N/A ARG 388.A N VAL 256.A O no hydrogen 2.930 N/A ARG 388.A NH2 GLN 386.A O no hydrogen 2.777 N/A TYR 390.A N VAL 254.A O no hydrogen 2.885 N/A SER 391.A OG ASP 603.A OD2 no hydrogen 2.800 N/A ILE 392.A N ASP 252.A O no hydrogen 3.160 N/A ALA 393.A N HIS 404.A O no hydrogen 2.715 N/A SER 394.A OG TYR 248.A OH no hydrogen 3.009 N/A SER 395.A N GLN 474.A OE1 no hydrogen 3.007 N/A SER 395.A OG GLU 475.A OE1 no hydrogen 2.583 N/A SER 396.A OG TYR 248.A O no hydrogen 2.739 N/A LYS 397.A N SER 395.A OG no hydrogen 3.363 N/A LYS 397.A NZ GLU 249.A OE1 no hydrogen 3.370 N/A LYS 397.A NZ GLU 475.A OE2 no hydrogen 2.988 N/A VAL 398.A N SER 395.A O no hydrogen 2.990 N/A HIS 399.A N SER 395.A O no hydrogen 2.749 N/A SER 402.A N HIS 399.A O no hydrogen 3.401 N/A SER 402.A OG HIS 404.A NE2 no hydrogen 2.731 N/A VAL 403.A N LEU 239.A O no hydrogen 2.950 N/A HIS 404.A N SER 394.A OG no hydrogen 2.879 N/A ILE 405.A N LEU 237.A O no hydrogen 2.887 N/A ALA 407.A N MET 235.A O no hydrogen 2.937 N/A VAL 409.A N HIS 233.A O no hydrogen 2.961 N/A VAL 410.A N THR 425.A OG1 no hydrogen 3.047 N/A TYR 412.A N ASN 420.A O no hydrogen 3.127 N/A THR 414.A N ARG 418.A O no hydrogen 2.600 N/A THR 414.A OG1 ARG 418.A O no hydrogen 3.345 N/A GLY 417.A N THR 414.A O no hydrogen 2.864 N/A ARG 418.A N THR 414.A OG1 no hydrogen 2.871 N/A ARG 418.A NE GLN 366.A OE1 no hydrogen 3.381 N/A ARG 418.A NH1 GLN 366.A OE1 no hydrogen 3.041 N/A ARG 418.A NH1 ASP 367.A OD1 no hydrogen 3.021 N/A ASN 420.A N TYR 412.A O no hydrogen 2.769 N/A ASN 420.A ND2 ARG 358.A O no hydrogen 2.982 N/A ASN 420.A ND2 TYR 412.A OH no hydrogen 2.978 N/A GLY 422.A N VAL 410.A O no hydrogen 2.839 N/A ASN 426.A N GLY 422.A O no hydrogen 3.383 N/A ASN 426.A ND2 VAL 410.A O no hydrogen 3.023 N/A ASN 426.A ND2 GLY 422.A O no hydrogen 2.982 N/A TRP 427.A N VAL 423.A O no hydrogen 3.224 N/A LEU 428.A N ALA 424.A O no hydrogen 2.733 N/A ARG 429.A N THR 425.A O no hydrogen 2.838 N/A ALA 430.A N ASN 426.A O no hydrogen 3.101 N/A ALA 430.A N TRP 427.A O no hydrogen 3.049 N/A LYS 431.A N LEU 428.A O no hydrogen 3.112 N/A LYS 431.A NZ LEU 437.A O no hydrogen 2.868 N/A VAL 438.A N ALA 218.A O no hydrogen 2.764 N/A MET 440.A N PHE 216.A O no hydrogen 3.033 N/A PHE 441.A N ALA 255.A O no hydrogen 3.100 N/A ARG 443.A N HIS 253.A O no hydrogen 2.985 N/A ARG 443.A NH1 ASP 81.A OD2 no hydrogen 3.185 N/A ARG 443.A NH2 ASP 81.A OD2 no hydrogen 2.965 N/A SER 445.A N ASP 252.A OD1 no hydrogen 3.017 N/A SER 445.A OG GLY 251.A O no hydrogen 2.680 N/A PHE 447.A N SER 445.A OG no hydrogen 3.299 N/A ARG 448.A NH1 ASP 252.A OD1 no hydrogen 2.937 N/A ARG 448.A NH1 PHE 447.A O no hydrogen 2.909 N/A ARG 448.A NH2 ASP 252.A OD1 no hydrogen 2.790 N/A THR 455.A N LYS 452.A O no hydrogen 3.324 N/A VAL 457.A N GLU 488.A O no hydrogen 2.978 N/A ILE 458.A N HIS 554.A O no hydrogen 2.863 N/A MET 459.A N LEU 490.A O no hydrogen 2.772 N/A VAL 460.A N TYR 556.A O no hydrogen 2.806 N/A GLY 461.A N TYR 492.A O no hydrogen 3.032 N/A GLY 463.A N GLY 494.A O no hydrogen 2.952 N/A GLY 465.A N PRO 462.A O no hydrogen 3.004 N/A VAL 466.A N GLY 463.A O no hydrogen 3.194 N/A ALA 467.A N THR 464.A O no hydrogen 3.059 N/A ILE 470.A N VAL 466.A O no hydrogen 3.151 N/A ILE 470.A N ALA 467.A O no hydrogen 3.082 N/A PHE 472.A N PRO 468.A O no hydrogen 3.066 N/A ILE 473.A N PHE 469.A O no hydrogen 2.821 N/A GLN 474.A N ILE 470.A O no hydrogen 3.099 N/A GLU 475.A N GLY 471.A O no hydrogen 2.917 N/A ARG 476.A N PHE 472.A O no hydrogen 2.787 N/A ARG 476.A NE THR 489.A OG1 no hydrogen 3.158 N/A ARG 476.A NH1 THR 455.A O no hydrogen 3.461 N/A ARG 476.A NH2 THR 455.A O no hydrogen 2.861 N/A ARG 476.A NH2 GLU 488.A O no hydrogen 3.322 N/A ALA 477.A N ILE 473.A O no hydrogen 2.939 N/A TRP 478.A N GLN 474.A O no hydrogen 2.932 N/A LEU 479.A N GLU 475.A O no hydrogen 2.794 N/A ARG 480.A N ARG 476.A O no hydrogen 3.192 N/A GLN 481.A N ALA 477.A O no hydrogen 3.003 N/A GLN 482.A N TRP 478.A O no hydrogen 3.091 N/A GLY 483.A N ARG 480.A O no hydrogen 3.090 N/A LYS 484.A N LEU 479.A O no hydrogen 3.235 N/A GLY 487.A N ALA 453.A O no hydrogen 3.122 N/A THR 489.A N THR 518.A OG1 no hydrogen 2.722 N/A THR 489.A OG1 GLY 487.A O no hydrogen 3.408 N/A LEU 490.A N VAL 457.A O no hydrogen 3.026 N/A LEU 491.A N GLN 519.A O no hydrogen 3.283 N/A TYR 492.A N MET 459.A O no hydrogen 2.648 N/A TYR 492.A OH ASP 541.A OD2 no hydrogen 2.900 N/A TYR 493.A N ASN 521.A O no hydrogen 2.912 N/A TYR 493.A OH ASP 501.A O no hydrogen 2.994 N/A CYS 495.A N ALA 523.A O no hydrogen 3.072 N/A CYS 495.A SG ARG 497.A O no hydrogen 3.760 N/A ARG 496.A N ASP 501.A OD1 no hydrogen 3.012 N/A ARG 497.A N ASP 501.A OD1 no hydrogen 3.500 N/A ARG 497.A NH1 ARG 526.A O no hydrogen 3.293 N/A SER 498.A N GLU 527.A OE1 no hydrogen 3.048 N/A SER 498.A OG GLU 527.A OE1 no hydrogen 2.655 N/A GLU 500.A N ARG 497.A O no hydrogen 3.166 N/A LEU 503.A N TYR 493.A OH no hydrogen 2.972 N/A TYR 504.A OH HIS 236.A ND1 no hydrogen 2.547 N/A GLU 506.A N GLU 506.A OE2 no hydrogen 2.921 N/A GLU 507.A N GLU 507.A OE1 no hydrogen 2.715 N/A LEU 508.A N TYR 504.A O no hydrogen 2.843 N/A ALA 509.A N ARG 505.A O no hydrogen 3.055 N/A GLN 510.A N GLU 506.A O no hydrogen 2.886 N/A PHE 511.A N GLU 507.A O no hydrogen 3.068 N/A HIS 512.A N LEU 508.A O no hydrogen 3.223 N/A HIS 512.A ND1 LEU 517.A O no hydrogen 2.795 N/A ARG 513.A N ALA 509.A O no hydrogen 3.012 N/A ARG 513.A NH1 GLN 510.A OE1 no hydrogen 3.447 N/A ASP 514.A N GLN 510.A O no hydrogen 2.740 N/A GLY 515.A N HIS 512.A O no hydrogen 3.050 N/A LEU 517.A N PHE 511.A O no hydrogen 3.142 N/A GLN 519.A N THR 489.A O no hydrogen 3.347 N/A ASN 521.A N LEU 491.A O no hydrogen 3.118 N/A ASN 521.A ND2 GLN 519.A OE1 no hydrogen 3.199 N/A ALA 523.A N TYR 493.A O no hydrogen 2.949 N/A SER 525.A N CYS 495.A O no hydrogen 2.924 N/A SER 525.A OG CYS 495.A O no hydrogen 3.467 N/A ARG 526.A N ARG 496.A O no hydrogen 2.910 N/A GLN 528.A NE2 PHE 524.A O no hydrogen 2.949 N/A GLN 528.A NE2 HIS 530.A O no hydrogen 2.774 N/A HIS 530.A N HIS 530.A ND1 no hydrogen 2.841 N/A TYR 533.A N HIS 536.A ND1 no hydrogen 3.040 N/A GLN 535.A N GLN 535.A OE1 no hydrogen 2.712 N/A HIS 536.A N TYR 533.A O no hydrogen 3.137 N/A LEU 538.A N VAL 534.A O no hydrogen 2.959 N/A LYS 539.A N GLN 535.A O no hydrogen 3.217 N/A GLN 540.A N HIS 536.A O no hydrogen 3.116 N/A GLN 540.A NE2 HIS 536.A O no hydrogen 3.153 N/A ASP 541.A N LEU 537.A O no hydrogen 3.180 N/A ASP 541.A N LEU 538.A O no hydrogen 3.192 N/A ARG 542.A N LYS 539.A O no hydrogen 2.848 N/A ARG 542.A NE GLU 578.A OE1 no hydrogen 3.353 N/A ARG 542.A NH2 GLU 578.A OE1 no hydrogen 2.914 N/A HIS 544.A NE2 GLU 488.A OE1 no hydrogen 2.821 N/A LEU 545.A N ASP 541.A O no hydrogen 3.071 N/A TRP 546.A N ARG 542.A O no hydrogen 3.033 N/A LYS 547.A N GLU 543.A O no hydrogen 3.142 N/A LEU 548.A N HIS 544.A O no hydrogen 2.921 N/A ILE 549.A N LEU 545.A O no hydrogen 2.748 N/A GLU 550.A N TRP 546.A O no hydrogen 2.711 N/A GLY 551.A N LYS 547.A O no hydrogen 2.893 N/A GLY 552.A N ILE 549.A O no hydrogen 2.903 N/A ALA 553.A N LEU 548.A O no hydrogen 2.998 N/A HIS 554.A N PRO 456.A O no hydrogen 2.942 N/A ILE 555.A N ARG 599.A O no hydrogen 2.721 N/A TYR 556.A N ILE 458.A O no hydrogen 2.924 N/A TYR 556.A OH ARG 448.A O no hydrogen 2.582 N/A VAL 557.A N SER 601.A O no hydrogen 2.995 N/A CYS 558.A N VAL 460.A O no hydrogen 2.958 N/A CYS 558.A SG GLY 465.A O no hydrogen 3.162 N/A CYS 558.A SG ASP 603.A O no hydrogen 3.209 N/A CYS 558.A SG ASP 603.A OD2 no hydrogen 3.591 N/A GLY 559.A N ASP 603.A O no hydrogen 3.180 N/A ALA 561.A N TRP 605.A O no hydrogen 2.956 N/A ASN 563.A N ASP 560.A OD2 no hydrogen 3.142 N/A MET 564.A N ASP 560.A OD2 no hydrogen 3.466 N/A ALA 565.A N ASP 560.A O no hydrogen 3.263 N/A ARG 566.A NH1 ASP 567.A OD1 no hydrogen 2.859 N/A ARG 566.A NH2 ASN 563.A OD1 no hydrogen 2.761 N/A ASP 567.A N ASN 563.A O no hydrogen 2.762 N/A VAL 568.A N MET 564.A O no hydrogen 2.815 N/A GLN 569.A N ALA 565.A O no hydrogen 3.093 N/A GLN 569.A N ARG 566.A O no hydrogen 3.244 N/A GLN 569.A NE2 GLU 113.A OE2 no hydrogen 2.960 N/A GLN 569.A NE2 TYR 573.A OH no hydrogen 2.788 N/A ASN 570.A N ARG 566.A O no hydrogen 3.025 N/A THR 571.A N ASP 567.A O no hydrogen 2.992 N/A THR 571.A OG1 ASP 567.A O no hydrogen 3.178 N/A PHE 572.A N VAL 568.A O no hydrogen 3.145 N/A TYR 573.A N GLN 569.A O no hydrogen 2.960 N/A ASP 574.A N ASN 570.A O no hydrogen 3.062 N/A ILE 575.A N THR 571.A O no hydrogen 2.938 N/A VAL 576.A N PHE 572.A O no hydrogen 3.154 N/A ALA 577.A N TYR 573.A O no hydrogen 2.831 N/A GLU 578.A N ASP 574.A O no hydrogen 2.865 N/A LEU 579.A N ILE 575.A O no hydrogen 2.902 N/A GLY 580.A N VAL 576.A O no hydrogen 2.648 N/A GLU 583.A N GLN 586.A OE1 no hydrogen 2.687 N/A ALA 587.A N GLU 583.A O no hydrogen 2.849 N/A VAL 588.A N HIS 584.A O no hydrogen 2.914 N/A ASP 589.A N ALA 585.A O no hydrogen 3.107 N/A TYR 590.A N GLN 586.A O no hydrogen 2.866 N/A ILE 591.A N ALA 587.A O no hydrogen 2.821 N/A LYS 592.A N VAL 588.A O no hydrogen 2.969 N/A LYS 592.A NZ GLU 113.A OE1 no hydrogen 3.170 N/A LYS 593.A N ASP 589.A O no hydrogen 2.792 N/A LEU 594.A N TYR 590.A O no hydrogen 3.160 N/A MET 595.A N ILE 591.A O no hydrogen 3.277 N/A THR 596.A N LYS 592.A O no hydrogen 3.264 N/A THR 596.A OG1 LYS 593.A O no hydrogen 2.733 N/A LYS 597.A N LYS 593.A O no hydrogen 3.064 N/A LYS 597.A N LEU 594.A O no hydrogen 3.084 N/A GLY 598.A N MET 595.A O no hydrogen 3.113 N/A ARG 599.A N LEU 594.A O no hydrogen 2.787 N/A ARG 599.A NE ALA 553.A O no hydrogen 3.437 N/A ARG 599.A NH2 ALA 553.A O no hydrogen 3.381 N/A SER 601.A N ILE 555.A O no hydrogen 2.918 N/A ASP 603.A N VAL 557.A O no hydrogen 2.916 N/A TRP 605.A N GLY 559.A O no hydrogen 3.033 N/A