Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yau_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 54.A O no hydrogen 2.624 N/A LYS 4.A NZ TYR 56.A O no hydrogen 3.195 N/A LYS 4.A NZ ASP 89.A OD2 no hydrogen 3.168 N/A GLU 5.A N GLU 55.A O no hydrogen 2.782 N/A GLU 10.A N SER 7.A OG no hydrogen 3.269 N/A LYS 11.A N SER 7.A O no hydrogen 3.188 N/A LYS 11.A NZ GLU 5.A OE1 no hydrogen 3.389 N/A LYS 11.A NZ TYR 56.A OH no hydrogen 2.827 N/A MET 12.A N PHE 8.A O no hydrogen 2.977 N/A LYS 13.A N VAL 9.A O no hydrogen 2.996 N/A LYS 13.A NZ GLU 10.A OE2 no hydrogen 3.325 N/A LYS 13.A NZ GLU 66.A OE2 no hydrogen 2.665 N/A LYS 14.A N GLU 10.A O no hydrogen 3.148 N/A THR 15.A N LYS 11.A O no hydrogen 3.159 N/A THR 15.A N MET 12.A O no hydrogen 3.236 N/A THR 15.A OG1 LYS 11.A O no hydrogen 2.870 N/A THR 15.A OG1 MET 12.A O no hydrogen 3.418 N/A GLY 16.A N LYS 13.A O no hydrogen 3.313 N/A ARG 17.A N MET 12.A O no hydrogen 2.786 N/A ARG 17.A NH2 ASP 287.A OD2 no hydrogen 3.245 N/A ASN 18.A N ARG 47.A O no hydrogen 2.871 N/A ASN 18.A ND2 LYS 69.A O no hydrogen 3.452 N/A ILE 19.A N ARG 47.A O no hydrogen 3.341 N/A ILE 20.A N LEU 71.A O no hydrogen 3.053 N/A VAL 21.A N MET 49.A O no hydrogen 2.872 N/A PHE 22.A N VAL 73.A O no hydrogen 2.816 N/A TYR 23.A N ALA 51.A O no hydrogen 3.241 N/A GLY 24.A N CYS 75.A O no hydrogen 2.803 N/A SER 25.A N ASN 86.A OD1 no hydrogen 3.165 N/A THR 27.A OG1 TYR 79.A OH no hydrogen 3.045 N/A GLU 32.A N GLY 28.A O no hydrogen 3.094 N/A PHE 33.A N THR 29.A O no hydrogen 2.884 N/A ALA 34.A N ALA 30.A O no hydrogen 2.825 N/A ASN 35.A N GLU 31.A O no hydrogen 2.990 N/A ARG 36.A N GLU 32.A O no hydrogen 3.088 N/A ARG 36.A NH1 GLU 151.A OE1 no hydrogen 3.108 N/A ARG 36.A NH1 GLU 151.A OE2 no hydrogen 3.403 N/A ARG 36.A NH2 GLU 151.A OE2 no hydrogen 2.922 N/A LEU 37.A N PHE 33.A O no hydrogen 2.948 N/A SER 38.A N ALA 34.A O no hydrogen 2.833 N/A LYS 39.A N ASN 35.A O no hydrogen 3.028 N/A ASP 40.A N ARG 36.A O no hydrogen 3.007 N/A ALA 41.A N LEU 37.A O no hydrogen 3.282 N/A ALA 41.A N SER 38.A O no hydrogen 3.281 N/A HIS 42.A N LYS 39.A O no hydrogen 3.088 N/A ARG 43.A N ASP 40.A O no hydrogen 2.821 N/A ARG 43.A NH1 ASP 40.A OD1 no hydrogen 2.663 N/A ARG 43.A NH2 ASP 40.A OD1 no hydrogen 3.445 N/A TYR 44.A N ALA 41.A O no hydrogen 2.908 N/A GLY 45.A N HIS 42.A O no hydrogen 3.322 N/A MET 46.A N ALA 41.A O no hydrogen 3.127 N/A ARG 47.A N ASN 18.A OD1 no hydrogen 2.945 N/A MET 49.A N ILE 19.A O no hydrogen 3.066 N/A SER 50.A OG ASN 35.A OD1 no hydrogen 2.631 N/A ALA 51.A N VAL 21.A O no hydrogen 2.996 N/A GLU 54.A N ASP 52.A OD1 no hydrogen 2.822 N/A GLU 55.A N ASP 52.A O no hydrogen 2.887 N/A TYR 56.A N PRO 53.A O no hydrogen 3.116 N/A ALA 59.A N ASP 57.A OD1 no hydrogen 3.263 N/A ASP 60.A N ASP 57.A O no hydrogen 3.043 N/A LEU 61.A N LEU 58.A O no hydrogen 2.913 N/A SER 62.A N ALA 59.A O no hydrogen 3.251 N/A SER 62.A OG ALA 59.A O no hydrogen 3.127 N/A SER 63.A N ASP 60.A O no hydrogen 2.937 N/A LEU 64.A N LEU 61.A O no hydrogen 3.007 N/A GLU 66.A N SER 63.A O no hydrogen 2.970 N/A ILE 67.A N LEU 64.A O no hydrogen 2.936 N/A SER 70.A OG LEU 64.A O no hydrogen 2.893 N/A SER 70.A OG ILE 67.A O no hydrogen 3.229 N/A LEU 71.A N ASN 18.A O no hydrogen 2.954 N/A VAL 72.A N LYS 105.A O no hydrogen 3.018 N/A VAL 73.A N ILE 20.A O no hydrogen 2.933 N/A PHE 74.A N ALA 107.A O no hydrogen 2.828 N/A CYS 75.A N PHE 22.A O no hydrogen 2.903 N/A MET 76.A N PHE 109.A O no hydrogen 3.125 N/A ALA 77.A N GLY 24.A O no hydrogen 2.839 N/A THR 78.A N LEU 111.A O no hydrogen 3.112 N/A TYR 79.A N ASP 82.A O no hydrogen 2.848 N/A ASP 82.A N TYR 79.A O no hydrogen 3.038 N/A THR 84.A OG1 ASN 86.A OD1 no hydrogen 2.574 N/A ASP 85.A N GLN 26.A OE1 no hydrogen 2.947 N/A ASN 86.A ND2 TYR 23.A O no hydrogen 2.819 N/A ASN 86.A ND2 ASP 52.A OD1 no hydrogen 2.969 N/A ALA 87.A N THR 84.A O no hydrogen 3.009 N/A GLN 88.A N ASP 85.A O no hydrogen 3.208 N/A TYR 91.A N ALA 87.A O no hydrogen 3.001 N/A ASP 92.A N GLN 88.A O no hydrogen 2.957 N/A TRP 93.A N ASP 89.A O no hydrogen 2.969 N/A LEU 94.A N PHE 90.A O no hydrogen 2.839 N/A GLN 95.A N TYR 91.A O no hydrogen 3.125 N/A GLU 96.A N ASP 92.A O no hydrogen 3.058 N/A THR 97.A N TRP 93.A O no hydrogen 2.796 N/A VAL 99.A N THR 97.A OG1 no hydrogen 3.201 N/A LEU 101.A N LEU 133.A O no hydrogen 2.900 N/A THR 102.A N ASP 100.A OD2 no hydrogen 3.130 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 3.009 N/A THR 102.A OG1 ASP 100.A OD2 no hydrogen 2.609 N/A VAL 104.A N LEU 101.A O no hydrogen 2.826 N/A PHE 106.A N GLN 136.A O no hydrogen 3.148 N/A ALA 107.A N VAL 72.A O no hydrogen 3.138 N/A PHE 109.A N PHE 74.A O no hydrogen 2.832 N/A GLY 110.A N GLY 142.A O no hydrogen 2.670 N/A LEU 111.A N MET 76.A O no hydrogen 2.799 N/A GLY 112.A N GLY 144.A O no hydrogen 3.051 N/A LYS 114.A N ASP 145.A OD1 no hydrogen 2.847 N/A THR 115.A N ASN 113.A OD1 no hydrogen 2.795 N/A THR 115.A OG1 ASN 113.A OD1 no hydrogen 2.654 N/A TYR 116.A N ASN 113.A O no hydrogen 3.057 N/A ASN 120.A ND2 GLY 110.A O no hydrogen 3.555 N/A ASN 120.A ND2 GLY 144.A O no hydrogen 3.005 N/A MET 122.A N THR 78.A OG1 no hydrogen 2.996 N/A LYS 124.A N ASN 120.A O no hydrogen 2.937 N/A LYS 124.A NZ PHE 119.A O no hydrogen 3.008 N/A TYR 125.A N ALA 121.A O no hydrogen 2.876 N/A VAL 126.A N MET 122.A O no hydrogen 2.907 N/A ASP 127.A N GLY 123.A O no hydrogen 3.083 N/A GLN 128.A N LYS 124.A O no hydrogen 3.142 N/A ARG 129.A N TYR 125.A O no hydrogen 2.787 N/A ARG 129.A NE LEU 94.A O no hydrogen 2.734 N/A ARG 129.A NH1 GLN 132.A OE1 no hydrogen 2.907 N/A ARG 129.A NH2 LEU 94.A O no hydrogen 3.202 N/A LEU 130.A N VAL 126.A O no hydrogen 3.015 N/A GLN 132.A N GLN 128.A O no hydrogen 3.217 N/A LEU 133.A N ARG 129.A O no hydrogen 2.972 N/A GLY 134.A N GLU 131.A O no hydrogen 2.899 N/A ALA 135.A N LEU 130.A O no hydrogen 3.020 N/A GLN 136.A N VAL 104.A O no hydrogen 2.835 N/A ARG 137.A NE ASP 127.A OD1 no hydrogen 2.775 N/A ARG 137.A NE ASP 127.A OD2 no hydrogen 3.418 N/A ARG 137.A NH1 GLU 131.A OE1 no hydrogen 3.035 N/A ARG 137.A NH2 ASP 127.A O no hydrogen 3.093 N/A ARG 137.A NH2 ASP 127.A OD2 no hydrogen 3.094 N/A ARG 137.A NH2 GLU 131.A OE2 no hydrogen 3.459 N/A ILE 138.A N PHE 106.A O no hydrogen 2.862 N/A GLY 142.A N VAL 108.A O no hydrogen 2.774 N/A GLY 144.A N GLY 110.A O no hydrogen 2.731 N/A ASP 145.A N ASP 153.A OD2 no hydrogen 3.047 N/A ASP 146.A N GLY 112.A O no hydrogen 2.723 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 2.890 N/A GLY 148.A N ASP 145.A O no hydrogen 3.021 N/A GLU 152.A N ASN 149.A OD1 no hydrogen 3.017 N/A ASP 153.A N ASN 149.A O no hydrogen 3.190 N/A PHE 154.A N LEU 150.A O no hydrogen 2.920 N/A ILE 155.A N GLU 151.A O no hydrogen 2.990 N/A THR 156.A N GLU 152.A O no hydrogen 2.938 N/A THR 156.A OG1 GLU 152.A O no hydrogen 2.879 N/A TRP 157.A N ASP 153.A O no hydrogen 2.984 N/A TRP 157.A NE1 GLU 140.A O no hydrogen 2.999 N/A ARG 158.A N PHE 154.A O no hydrogen 2.836 N/A ARG 158.A NE ASP 40.A OD1 no hydrogen 3.506 N/A ARG 158.A NE ASP 40.A OD2 no hydrogen 2.666 N/A ARG 158.A NH2 ASP 40.A OD1 no hydrogen 3.389 N/A GLU 159.A N ILE 155.A O no hydrogen 2.909 N/A GLN 160.A N TRP 157.A O no hydrogen 3.051 N/A PHE 161.A N TRP 157.A O no hydrogen 2.771 N/A TRP 162.A N ARG 158.A O no hydrogen 3.393 N/A TRP 162.A NE1 ASP 40.A OD2 no hydrogen 3.015 N/A ALA 164.A N GLN 160.A O no hydrogen 3.245 N/A VAL 165.A N PHE 161.A O no hydrogen 2.903 N/A CYS 166.A N TRP 162.A O no hydrogen 2.780 N/A CYS 166.A SG TRP 162.A O no hydrogen 3.357 N/A GLU 167.A N PRO 163.A O no hydrogen 2.800 N/A PHE 168.A N ALA 164.A O no hydrogen 3.050 N/A PHE 169.A N VAL 165.A O no hydrogen 3.092 N/A VAL 171.A N CYS 166.A O no hydrogen 2.885 N/A THR 174.A OG1 ARG 43.A O no hydrogen 3.179 N/A ARG 178.A NE GLU 381.A OE2 no hydrogen 2.763 N/A ARG 178.A NH1 ASP 377.A OD2 no hydrogen 2.934 N/A ARG 178.A NH2 ASP 377.A OD2 no hydrogen 2.666 N/A ARG 178.A NH2 GLU 381.A OE2 no hydrogen 3.354 N/A GLN 179.A N GLU 381.A OE1 no hydrogen 2.839 N/A GLN 179.A NE2 GLN 179.A O no hydrogen 3.296 N/A GLN 179.A NE2 ASN 285.A OD1 no hydrogen 2.558 N/A TYR 180.A N GLU 381.A OE2 no hydrogen 3.310 N/A GLU 181.A N ASN 284.A O no hydrogen 2.872 N/A VAL 183.A N SER 282.A O no hydrogen 3.085 N/A HIS 185.A N ILE 280.A O no hydrogen 2.971 N/A LYS 192.A N ASP 189.A O no hydrogen 3.067 N/A VAL 193.A N VAL 190.A O no hydrogen 3.088 N/A TYR 194.A N PRO 299.A O no hydrogen 2.774 N/A TYR 194.A OH GLY 199.A O no hydrogen 2.822 N/A THR 195.A N GLU 197.A OE1 no hydrogen 2.693 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.673 N/A LYS 202.A N GLU 197.A OE2 no hydrogen 2.743 N/A SER 203.A N ARG 200.A O no hydrogen 2.830 N/A SER 203.A OG ARG 200.A O no hydrogen 2.644 N/A ASN 206.A N LYS 202.A O no hydrogen 2.836 N/A GLN 207.A NE2 SER 203.A O no hydrogen 2.963 N/A GLN 207.A NE2 PRO 216.A O no hydrogen 3.098 N/A ASP 212.A N ASN 215.A O no hydrogen 2.932 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 3.113 N/A ASN 215.A N ASP 212.A O no hydrogen 3.003 N/A ASN 215.A ND2 LYS 208.A O no hydrogen 2.591 N/A ASN 215.A ND2 PRO 210.A O no hydrogen 3.202 N/A PHE 217.A N MET 442.A O no hydrogen 2.761 N/A LEU 218.A N GLN 207.A OE1 no hydrogen 2.709 N/A ALA 219.A N VAL 440.A O no hydrogen 2.944 N/A VAL 221.A N ALA 438.A O no hydrogen 2.858 N/A THR 222.A N GLU 239.A O no hydrogen 2.879 N/A THR 222.A OG1 GLU 239.A O no hydrogen 3.225 N/A ASN 224.A ND2 ARG 430.A O no hydrogen 3.364 N/A ASN 224.A ND2 LYS 432.A O no hydrogen 2.709 N/A ARG 225.A N HIS 237.A O no hydrogen 2.954 N/A LYS 226.A NZ ASN 228.A OD1 no hydrogen 3.419 N/A LYS 226.A NZ GLY 230.A O no hydrogen 3.160 N/A LYS 226.A NZ ARG 233.A O no hydrogen 3.244 N/A LEU 227.A N LEU 235.A O no hydrogen 2.805 N/A ASN 228.A ND2 ARG 233.A O no hydrogen 2.870 N/A GLN 229.A N GLU 502.A O no hydrogen 2.710 N/A ARG 233.A NH2 ASP 503.A OD2 no hydrogen 2.631 N/A LEU 235.A N ASN 228.A OD1 no hydrogen 2.960 N/A MET 236.A N ALA 408.A O no hydrogen 2.747 N/A HIS 237.A N ARG 225.A O no hydrogen 2.883 N/A HIS 237.A ND1 TYR 506.A OH no hydrogen 2.840 N/A HIS 237.A NE2 GLU 239.A OE1 no hydrogen 3.105 N/A LEU 238.A N ILE 406.A O no hydrogen 2.953 N/A GLU 239.A N ALA 223.A O no hydrogen 2.972 N/A LEU 240.A N VAL 404.A O no hydrogen 2.849 N/A ASP 241.A N ALA 220.A O no hydrogen 2.829 N/A ILE 242.A N ASN 402.A O no hydrogen 2.872 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.007 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.586 N/A SER 245.A N ILE 242.A O no hydrogen 3.166 N/A SER 245.A OG ILE 242.A O no hydrogen 2.663 N/A ILE 247.A N SER 245.A OG no hydrogen 3.112 N/A TYR 249.A OH SER 395.A OG no hydrogen 2.914 N/A TYR 249.A OH HIS 400.A O no hydrogen 2.866 N/A TYR 249.A OH SER 403.A O no hydrogen 2.809 N/A GLU 250.A N ASP 253.A OD2 no hydrogen 2.843 N/A SER 251.A OG SER 395.A O no hydrogen 3.400 N/A ASP 253.A N GLU 250.A O no hydrogen 2.928 N/A HIS 254.A N ARG 445.A O no hydrogen 3.140 N/A HIS 254.A NE2 ASP 606.A OD1 no hydrogen 2.706 N/A VAL 255.A N TYR 391.A O no hydrogen 2.772 N/A ALA 256.A N PHE 443.A O no hydrogen 2.783 N/A VAL 257.A N ARG 389.A O no hydrogen 2.960 N/A TYR 258.A N PRO 441.A O no hydrogen 3.165 N/A TYR 258.A OH ALA 213.A O no hydrogen 2.523 N/A ASN 261.A N THR 307.A O no hydrogen 2.844 N/A ASN 261.A ND2 LEU 306.A O no hydrogen 2.881 N/A ASN 261.A ND2 LEU 310.A O no hydrogen 2.790 N/A LEU 265.A N ASP 262.A OD1 no hydrogen 2.754 N/A VAL 266.A N ASP 262.A O no hydrogen 3.007 N/A ASN 267.A N SER 263.A O no hydrogen 2.807 N/A GLN 268.A N ALA 264.A O no hydrogen 3.028 N/A ILE 269.A N LEU 265.A O no hydrogen 3.152 N/A GLY 270.A N VAL 266.A O no hydrogen 3.298 N/A GLU 271.A N ASN 267.A O no hydrogen 2.863 N/A ILE 272.A N GLN 268.A O no hydrogen 2.770 N/A LEU 273.A N ILE 269.A O no hydrogen 3.244 N/A LEU 273.A N GLY 270.A O no hydrogen 3.116 N/A GLY 274.A N GLU 271.A O no hydrogen 3.218 N/A ALA 275.A N GLY 270.A O no hydrogen 3.024 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 2.878 N/A VAL 279.A N ASP 276.A O no hydrogen 3.451 N/A MET 281.A N THR 300.A O no hydrogen 3.037 N/A SER 282.A N VAL 183.A O no hydrogen 3.315 N/A ASN 284.A N GLU 181.A O no hydrogen 2.977 N/A ASN 285.A N LYS 293.A O no hydrogen 2.993 N/A ASN 285.A ND2 LYS 292.A O no hydrogen 2.754 N/A LEU 286.A N GLN 179.A O no hydrogen 2.800 N/A ASP 287.A N ASN 285.A OD1 no hydrogen 2.949 N/A GLU 289.A N ASP 287.A OD1 no hydrogen 2.932 N/A SER 290.A N ASP 287.A O no hydrogen 2.982 N/A LYS 292.A N SER 290.A OG no hydrogen 3.048 N/A LYS 292.A NZ GLU 31.A OE2 no hydrogen 3.137 N/A HIS 294.A ND1 LEU 283.A O no hydrogen 2.825 N/A CYS 298.A SG PHE 296.A O no hydrogen 3.237 N/A THR 300.A N MET 281.A O no hydrogen 2.883 N/A THR 300.A OG1 TYR 194.A O no hydrogen 2.667 N/A THR 301.A OG1 THR 304.A OG1 no hydrogen 3.145 N/A ARG 303.A N LEU 277.A O no hydrogen 2.925 N/A ARG 303.A NE ASP 278.A OD1 no hydrogen 2.806 N/A ARG 303.A NH1 ASN 267.A OD1 no hydrogen 2.720 N/A ARG 303.A NH2 ASP 278.A OD1 no hydrogen 3.539 N/A ARG 303.A NH2 ASP 278.A OD2 no hydrogen 2.838 N/A THR 304.A N THR 301.A OG1 no hydrogen 3.080 N/A THR 304.A OG1 THR 301.A OG1 no hydrogen 3.145 N/A ALA 305.A N THR 301.A O no hydrogen 3.041 N/A LEU 306.A N TYR 302.A O no hydrogen 2.813 N/A THR 307.A N ARG 303.A O no hydrogen 2.862 N/A THR 307.A N THR 304.A O no hydrogen 3.224 N/A THR 307.A OG1 ARG 303.A O no hydrogen 2.553 N/A TYR 308.A N THR 304.A O no hydrogen 2.823 N/A TYR 309.A N ALA 305.A O no hydrogen 2.958 N/A TYR 309.A OH GLU 197.A O no hydrogen 2.711 N/A LEU 310.A N ALA 305.A O no hydrogen 2.861 N/A ASP 311.A N PRO 384.A O no hydrogen 2.906 N/A THR 313.A N ASP 311.A OD1 no hydrogen 3.101 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 2.963 N/A ASN 314.A ND2 ASP 311.A OD2 no hydrogen 2.677 N/A THR 318.A N GLU 151.A OE2 no hydrogen 3.070 N/A THR 318.A OG1 GLU 151.A OE2 no hydrogen 2.509 N/A VAL 320.A N ARG 317.A O no hydrogen 3.188 N/A LEU 321.A N ARG 317.A O no hydrogen 3.448 N/A TYR 322.A N THR 318.A O no hydrogen 2.809 N/A GLU 323.A N ASN 319.A O no hydrogen 2.961 N/A LEU 324.A N VAL 320.A O no hydrogen 3.080 N/A LEU 324.A N LEU 321.A O no hydrogen 3.263 N/A ALA 325.A N TYR 322.A O no hydrogen 3.239 N/A GLN 326.A NE2 GLU 323.A O no hydrogen 2.645 N/A TYR 327.A N LEU 324.A O no hydrogen 2.919 N/A TYR 327.A OH HIS 378.A ND1 no hydrogen 2.466 N/A ALA 328.A N ALA 325.A O no hydrogen 3.272 N/A SER 329.A N SER 371.A O no hydrogen 3.041 N/A GLU 330.A N SER 371.A OG no hydrogen 2.971 N/A SER 332.A OG GLU 330.A OE2 no hydrogen 3.432 N/A GLU 333.A N GLU 330.A O no hydrogen 2.903 N/A GLN 334.A N GLU 330.A O no hydrogen 2.925 N/A GLU 335.A N PRO 331.A O no hydrogen 2.758 N/A HIS 336.A N SER 332.A O no hydrogen 3.035 N/A LEU 337.A N GLU 333.A O no hydrogen 2.987 N/A HIS 338.A N GLN 334.A O no hydrogen 2.904 N/A LYS 339.A N GLU 335.A O no hydrogen 2.945 N/A LYS 339.A NZ GLU 335.A OE2 no hydrogen 2.451 N/A MET 340.A N LEU 337.A O no hydrogen 3.348 N/A SER 342.A N LYS 339.A O no hydrogen 3.034 N/A SER 342.A OG LYS 339.A O no hydrogen 2.946 N/A SER 343.A OG GLU 159.A OE1 no hydrogen 2.692 N/A SER 343.A OG GLU 159.A OE2 no hydrogen 2.908 N/A LYS 348.A NZ SER 343.A O no hydrogen 2.990 N/A GLU 349.A N GLY 345.A O no hydrogen 3.044 N/A LEU 350.A N GLU 346.A O no hydrogen 2.696 N/A TYR 351.A N GLY 347.A O no hydrogen 3.124 N/A TYR 351.A OH PRO 316.A O no hydrogen 2.798 N/A LEU 352.A N LYS 348.A O no hydrogen 2.937 N/A SER 353.A N GLU 349.A O no hydrogen 2.961 N/A SER 353.A OG GLU 349.A O no hydrogen 3.288 N/A TRP 354.A N LEU 350.A O no hydrogen 2.757 N/A VAL 355.A N TYR 351.A O no hydrogen 3.172 N/A VAL 356.A N TYR 351.A O no hydrogen 3.056 N/A GLU 357.A N LEU 352.A O no hydrogen 2.844 N/A ALA 358.A N SER 353.A O no hydrogen 3.027 N/A ARG 359.A N VAL 356.A O no hydrogen 2.877 N/A ARG 359.A NH1 ASN 314.A OD1 no hydrogen 3.257 N/A ARG 360.A N VAL 355.A O no hydrogen 3.038 N/A ARG 360.A NE ASP 368.A OD2 no hydrogen 2.696 N/A ARG 360.A NH1 TRP 354.A O no hydrogen 2.785 N/A ARG 360.A NH2 ASP 368.A OD2 no hydrogen 2.976 N/A ALA 364.A N HIS 361.A ND1 no hydrogen 3.111 N/A ILE 365.A N HIS 361.A O no hydrogen 3.151 N/A LEU 366.A N ILE 362.A O no hydrogen 2.931 N/A GLN 367.A N LEU 363.A O no hydrogen 2.827 N/A ASP 368.A N ALA 364.A O no hydrogen 2.773 N/A TYR 369.A N ILE 365.A O no hydrogen 2.818 N/A SER 371.A N GLU 333.A OE2 no hydrogen 2.995 N/A SER 371.A OG GLU 333.A OE2 no hydrogen 2.714 N/A LEU 372.A N TYR 369.A O no hydrogen 2.857 N/A ARG 373.A N TYR 327.A O no hydrogen 3.082 N/A ARG 373.A NH1 LEU 366.A O no hydrogen 3.108 N/A ARG 373.A NH1 LEU 372.A O no hydrogen 2.559 N/A HIS 378.A N PRO 375.A O no hydrogen 3.080 N/A HIS 378.A ND1 TYR 327.A OH no hydrogen 2.466 N/A LEU 379.A N PRO 375.A O no hydrogen 3.153 N/A CYS 380.A N ILE 376.A O no hydrogen 3.027 N/A CYS 380.A SG ILE 376.A O no hydrogen 3.479 N/A GLU 381.A N ASP 377.A O no hydrogen 3.333 N/A GLU 381.A N HIS 378.A O no hydrogen 3.237 N/A LEU 382.A N HIS 378.A O no hydrogen 3.209 N/A LEU 382.A N LEU 379.A O no hydrogen 2.990 N/A LEU 383.A N LEU 379.A O no hydrogen 3.046 N/A ARG 385.A NE TYR 309.A O no hydrogen 2.801 N/A LEU 386.A N TYR 309.A O no hydrogen 2.892 N/A GLN 387.A NE2 ARG 385.A O no hydrogen 3.073 N/A ARG 389.A N VAL 257.A O no hydrogen 2.978 N/A ARG 389.A NH2 GLN 387.A O no hydrogen 2.619 N/A TYR 391.A N VAL 255.A O no hydrogen 2.883 N/A SER 392.A OG ASP 606.A OD2 no hydrogen 2.638 N/A ILE 393.A N ASP 253.A O no hydrogen 3.020 N/A ALA 394.A N HIS 405.A O no hydrogen 2.661 N/A SER 395.A OG TYR 249.A OH no hydrogen 2.914 N/A SER 395.A OG SER 403.A O no hydrogen 3.428 N/A SER 396.A N GLN 476.A OE1 no hydrogen 3.009 N/A SER 396.A OG GLU 477.A OE1 no hydrogen 2.640 N/A SER 397.A OG TYR 249.A O no hydrogen 2.671 N/A LYS 398.A N SER 396.A OG no hydrogen 3.041 N/A VAL 399.A N SER 396.A O no hydrogen 3.142 N/A HIS 400.A N SER 396.A O no hydrogen 2.702 N/A SER 403.A N HIS 400.A O no hydrogen 3.190 N/A SER 403.A OG LEU 240.A O no hydrogen 3.193 N/A SER 403.A OG HIS 405.A NE2 no hydrogen 3.372 N/A VAL 404.A N LEU 240.A O no hydrogen 2.814 N/A HIS 405.A N SER 395.A OG no hydrogen 3.127 N/A ILE 406.A N LEU 238.A O no hydrogen 2.898 N/A ALA 408.A N MET 236.A O no hydrogen 3.046 N/A ALA 410.A N HIS 234.A O no hydrogen 2.857 N/A VAL 411.A N THR 426.A OG1 no hydrogen 3.061 N/A TYR 413.A N ASN 421.A O no hydrogen 3.028 N/A ALA 415.A N ARG 419.A O no hydrogen 3.012 N/A LYS 416.A NZ GLU 357.A OE2 no hydrogen 3.496 N/A SER 417.A N ALA 358.A O no hydrogen 3.212 N/A GLY 418.A N ALA 415.A O no hydrogen 2.913 N/A ARG 419.A N SER 417.A OG no hydrogen 3.402 N/A ARG 419.A NH1 GLN 367.A OE1 no hydrogen 2.529 N/A ARG 419.A NH1 ASP 368.A OD1 no hydrogen 3.370 N/A ARG 419.A NH2 ASP 368.A OD1 no hydrogen 3.494 N/A ARG 419.A NH2 ASP 368.A OD2 no hydrogen 3.004 N/A ARG 419.A NH2 SER 417.A O no hydrogen 2.916 N/A ASN 421.A N TYR 413.A O no hydrogen 2.838 N/A ASN 421.A ND2 ARG 359.A O no hydrogen 3.088 N/A ASN 421.A ND2 TYR 413.A OH no hydrogen 3.181 N/A GLY 423.A N VAL 411.A O no hydrogen 2.759 N/A SER 427.A N GLY 423.A O no hydrogen 2.981 N/A SER 427.A OG GLY 423.A O no hydrogen 2.688 N/A TRP 428.A N VAL 424.A O no hydrogen 3.307 N/A LEU 429.A N ALA 425.A O no hydrogen 2.846 N/A ARG 430.A N THR 426.A O no hydrogen 2.882 N/A ALA 431.A N SER 427.A O no hydrogen 3.159 N/A ALA 431.A N TRP 428.A O no hydrogen 3.165 N/A LYS 432.A N TRP 428.A O no hydrogen 3.297 N/A LYS 432.A N LEU 429.A O no hydrogen 3.049 N/A LYS 432.A NZ LEU 439.A O no hydrogen 3.018 N/A VAL 440.A N ALA 219.A O no hydrogen 2.739 N/A MET 442.A N PHE 217.A O no hydrogen 2.777 N/A PHE 443.A N ALA 256.A O no hydrogen 3.099 N/A ARG 445.A N HIS 254.A O no hydrogen 2.871 N/A ARG 445.A NH1 ASP 85.A OD1 no hydrogen 3.454 N/A ARG 445.A NH1 ASP 85.A OD2 no hydrogen 2.683 N/A ARG 445.A NH2 ASP 85.A OD1 no hydrogen 3.065 N/A SER 447.A N ASP 253.A OD1 no hydrogen 2.976 N/A SER 447.A OG GLY 252.A O no hydrogen 2.605 N/A PHE 449.A N SER 447.A OG no hydrogen 3.163 N/A ARG 450.A NH1 ASP 253.A OD1 no hydrogen 2.854 N/A ARG 450.A NH1 PHE 449.A O no hydrogen 3.272 N/A ARG 450.A NH2 ASP 253.A OD1 no hydrogen 2.671 N/A SER 455.A OG GLU 487.A O no hydrogen 2.518 N/A THR 457.A N LYS 454.A O no hydrogen 3.096 N/A VAL 459.A N GLU 490.A O no hydrogen 3.029 N/A ILE 460.A N HIS 557.A O no hydrogen 2.903 N/A MET 461.A N LEU 492.A O no hydrogen 2.822 N/A VAL 462.A N TYR 559.A O no hydrogen 2.829 N/A GLY 463.A N TYR 494.A O no hydrogen 3.099 N/A GLY 465.A N GLY 496.A O no hydrogen 2.765 N/A GLY 467.A N PRO 464.A O no hydrogen 2.873 N/A ILE 468.A N GLY 465.A O no hydrogen 3.246 N/A ALA 469.A N THR 466.A O no hydrogen 3.173 N/A MET 472.A N ILE 468.A O no hydrogen 3.139 N/A MET 472.A N ALA 469.A O no hydrogen 3.326 N/A PHE 474.A N PRO 470.A O no hydrogen 2.977 N/A ILE 475.A N PHE 471.A O no hydrogen 2.776 N/A GLN 476.A N MET 472.A O no hydrogen 2.963 N/A GLU 477.A N GLY 473.A O no hydrogen 3.046 N/A ARG 478.A N PHE 474.A O no hydrogen 2.901 N/A ARG 478.A NE THR 491.A OG1 no hydrogen 2.969 N/A ARG 478.A NH1 THR 457.A O no hydrogen 3.241 N/A ARG 478.A NH2 THR 457.A O no hydrogen 3.161 N/A ARG 478.A NH2 THR 491.A OG1 no hydrogen 3.031 N/A ALA 479.A N ILE 475.A O no hydrogen 2.974 N/A TRP 480.A N GLN 476.A O no hydrogen 2.977 N/A LEU 481.A N GLU 477.A O no hydrogen 2.805 N/A ARG 482.A N ARG 478.A O no hydrogen 3.208 N/A ARG 482.A NH2 ASP 516.A O no hydrogen 2.741 N/A GLU 483.A N ALA 479.A O no hydrogen 2.948 N/A GLN 484.A N TRP 480.A O no hydrogen 2.967 N/A GLN 484.A N LEU 481.A O no hydrogen 3.266 N/A GLY 485.A N ARG 482.A O no hydrogen 2.944 N/A LYS 486.A N LEU 481.A O no hydrogen 2.942 N/A GLY 489.A N SER 455.A O no hydrogen 2.952 N/A THR 491.A N THR 520.A OG1 no hydrogen 2.794 N/A THR 491.A OG1 GLY 489.A O no hydrogen 3.487 N/A LEU 492.A N VAL 459.A O no hydrogen 2.887 N/A LEU 493.A N GLN 521.A O no hydrogen 3.075 N/A TYR 494.A N MET 461.A O no hydrogen 2.744 N/A TYR 494.A OH ASP 543.A OD2 no hydrogen 2.587 N/A TYR 495.A N ASN 523.A O no hydrogen 2.819 N/A TYR 495.A OH ASP 503.A O no hydrogen 3.340 N/A CYS 497.A N ALA 525.A O no hydrogen 3.103 N/A CYS 497.A SG ARG 499.A O no hydrogen 3.865 N/A ARG 498.A N ASP 503.A OD2 no hydrogen 3.081 N/A ARG 498.A NH1 GLU 232.A OE1 no hydrogen 2.972 N/A ARG 498.A NH1 GLU 232.A OE2 no hydrogen 3.254 N/A ARG 498.A NH2 GLU 232.A OE1 no hydrogen 3.541 N/A ARG 499.A N ASP 503.A OD1 no hydrogen 3.056 N/A ARG 499.A NH1 GLU 502.A OE1 no hydrogen 3.253 N/A SER 500.A N GLU 529.A OE1 no hydrogen 2.717 N/A SER 500.A OG GLU 529.A OE1 no hydrogen 2.912 N/A GLU 502.A N ARG 499.A O no hydrogen 3.027 N/A ASP 503.A N ARG 499.A O no hydrogen 3.251 N/A LEU 505.A N TYR 495.A OH no hydrogen 3.329 N/A LEU 505.A N ASP 503.A O no hydrogen 2.991 N/A TYR 506.A OH HIS 237.A ND1 no hydrogen 2.840 N/A ARG 507.A N TYR 504.A O no hydrogen 3.172 N/A ARG 507.A NE GLU 508.A OE2 no hydrogen 3.432 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.647 N/A LEU 510.A N TYR 506.A O no hydrogen 2.825 N/A ALA 511.A N ARG 507.A O no hydrogen 2.978 N/A ARG 512.A N GLU 508.A O no hydrogen 3.037 N/A PHE 513.A N GLU 509.A O no hydrogen 3.035 N/A HIS 514.A N LEU 510.A O no hydrogen 3.027 N/A LYS 515.A N ALA 511.A O no hydrogen 2.864 N/A ASP 516.A N ARG 512.A O no hydrogen 2.937 N/A GLY 517.A N HIS 514.A O no hydrogen 3.042 N/A ALA 518.A N PHE 513.A O no hydrogen 2.932 N/A LEU 519.A N PHE 513.A O no hydrogen 3.193 N/A THR 520.A N THR 491.A O no hydrogen 2.845 N/A THR 520.A OG1 THR 491.A O no hydrogen 3.510 N/A ASN 523.A N LEU 493.A O no hydrogen 2.849 N/A ASN 523.A ND2 GLN 521.A OE1 no hydrogen 2.920 N/A ALA 525.A N TYR 495.A O no hydrogen 2.863 N/A SER 527.A N CYS 497.A O no hydrogen 2.941 N/A SER 527.A OG CYS 497.A O no hydrogen 3.366 N/A ARG 528.A N ARG 498.A O no hydrogen 2.930 N/A GLN 530.A NE2 PHE 526.A O no hydrogen 2.844 N/A GLN 530.A NE2 HIS 532.A O no hydrogen 2.923 N/A TYR 535.A N HIS 538.A ND1 no hydrogen 2.726 N/A GLN 537.A N GLN 537.A OE1 no hydrogen 2.667 N/A HIS 538.A N TYR 535.A O no hydrogen 2.914 N/A LEU 539.A N VAL 536.A O no hydrogen 2.876 N/A LEU 540.A N VAL 536.A O no hydrogen 3.011 N/A LYS 541.A N GLN 537.A O no hydrogen 2.986 N/A ARG 542.A N HIS 538.A O no hydrogen 3.019 N/A ARG 542.A NE ASP 543.A OD1 no hydrogen 2.618 N/A ARG 542.A NH2 ASN 523.A OD1 no hydrogen 2.810 N/A ARG 542.A NH2 ASP 543.A OD1 no hydrogen 3.281 N/A ARG 542.A NH2 ASP 543.A OD2 no hydrogen 2.948 N/A ASP 543.A N LEU 539.A O no hydrogen 2.919 N/A ARG 544.A N LYS 541.A O no hydrogen 3.257 N/A ARG 544.A NH1 LYS 541.A O no hydrogen 2.663 N/A HIS 546.A NE2 GLU 490.A OE1 no hydrogen 2.710 N/A LEU 547.A N ASP 543.A O no hydrogen 3.014 N/A TRP 548.A N ARG 544.A O no hydrogen 3.083 N/A LYS 549.A N GLU 545.A O no hydrogen 3.155 N/A LYS 549.A NZ GLU 553.A OE2 no hydrogen 2.827 N/A LEU 550.A N HIS 546.A O no hydrogen 2.979 N/A ILE 551.A N LEU 547.A O no hydrogen 2.875 N/A HIS 552.A N TRP 548.A O no hydrogen 2.663 N/A GLU 553.A N LYS 549.A O no hydrogen 2.746 N/A GLY 554.A N LYS 549.A O no hydrogen 3.249 N/A ALA 556.A N LEU 550.A O no hydrogen 2.907 N/A HIS 557.A N PRO 458.A O no hydrogen 3.030 N/A ILE 558.A N ARG 602.A O no hydrogen 2.664 N/A TYR 559.A N ILE 460.A O no hydrogen 2.827 N/A TYR 559.A OH ARG 450.A O no hydrogen 2.519 N/A VAL 560.A N SER 604.A O no hydrogen 3.014 N/A CYS 561.A N VAL 462.A O no hydrogen 2.832 N/A CYS 561.A SG GLY 467.A O no hydrogen 3.171 N/A CYS 561.A SG ASP 606.A O no hydrogen 3.243 N/A CYS 561.A SG ASP 606.A OD2 no hydrogen 3.682 N/A GLY 562.A N ASP 606.A O no hydrogen 3.145 N/A ALA 564.A N TRP 608.A O no hydrogen 2.956 N/A ARG 565.A N ASP 563.A OD1 no hydrogen 3.162 N/A ASN 566.A N ASP 563.A OD2 no hydrogen 2.945 N/A MET 567.A N ASP 563.A OD2 no hydrogen 2.851 N/A ALA 568.A N ASP 563.A O no hydrogen 3.084 N/A LYS 569.A NZ GLN 572.A OE1 no hydrogen 3.357 N/A ASP 570.A N ASN 566.A O no hydrogen 3.081 N/A VAL 571.A N MET 567.A O no hydrogen 2.915 N/A GLN 572.A N ALA 568.A O no hydrogen 2.965 N/A GLN 572.A NE2 TYR 576.A OH no hydrogen 2.785 N/A ASN 573.A N LYS 569.A O no hydrogen 2.873 N/A THR 574.A N ASP 570.A O no hydrogen 3.105 N/A THR 574.A OG1 ASP 570.A O no hydrogen 3.097 N/A PHE 575.A N VAL 571.A O no hydrogen 3.147 N/A TYR 576.A N GLN 572.A O no hydrogen 2.967 N/A ASP 577.A N ASN 573.A O no hydrogen 2.930 N/A ILE 578.A N THR 574.A O no hydrogen 2.973 N/A VAL 579.A N PHE 575.A O no hydrogen 3.105 N/A ALA 580.A N TYR 576.A O no hydrogen 2.961 N/A GLU 581.A N ASP 577.A O no hydrogen 3.084 N/A PHE 582.A N ILE 578.A O no hydrogen 3.121 N/A GLY 583.A N VAL 579.A O no hydrogen 2.816 N/A MET 585.A N ALA 580.A O no hydrogen 2.960 N/A ALA 590.A N GLU 586.A O no hydrogen 2.919 N/A VAL 591.A N HIS 587.A O no hydrogen 2.831 N/A ASP 592.A N THR 588.A O no hydrogen 3.291 N/A TYR 593.A N GLN 589.A O no hydrogen 2.948 N/A VAL 594.A N ALA 590.A O no hydrogen 2.977 N/A LYS 595.A N VAL 591.A O no hydrogen 2.977 N/A LYS 595.A NZ GLU 117.A OE2 no hydrogen 2.832 N/A LYS 596.A N ASP 592.A O no hydrogen 2.894 N/A LYS 596.A N TYR 593.A O no hydrogen 3.247 N/A LEU 597.A N TYR 593.A O no hydrogen 3.109 N/A MET 598.A N VAL 594.A O no hydrogen 3.275 N/A THR 599.A N LYS 595.A O no hydrogen 3.361 N/A THR 599.A OG1 LYS 596.A O no hydrogen 2.801 N/A LYS 600.A N LYS 596.A O no hydrogen 2.997 N/A GLY 601.A N MET 598.A O no hydrogen 3.157 N/A ARG 602.A N LEU 597.A O no hydrogen 2.691 N/A ARG 602.A NE ALA 556.A O no hydrogen 3.045 N/A ARG 602.A NH2 ILE 551.A O no hydrogen 2.879 N/A ARG 602.A NH2 ALA 556.A O no hydrogen 2.900 N/A SER 604.A N ILE 558.A O no hydrogen 2.829 N/A ASP 606.A N VAL 560.A O no hydrogen 2.953 N/A TRP 608.A N GLY 562.A O no hydrogen 3.010 N/A