Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ja1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 53.A O no hydrogen 2.937 N/A LYS 3.A NZ TYR 55.A O no hydrogen 3.166 N/A GLU 4.A N GLU 54.A O no hydrogen 2.699 N/A GLU 9.A N SER 6.A OG no hydrogen 3.218 N/A LYS 10.A N SER 6.A O no hydrogen 3.195 N/A LYS 10.A NZ GLU 4.A OE1 no hydrogen 3.479 N/A LYS 10.A NZ TYR 55.A OH no hydrogen 2.874 N/A MET 11.A N PHE 7.A O no hydrogen 2.991 N/A LYS 12.A N VAL 8.A O no hydrogen 2.948 N/A LYS 12.A NZ GLU 9.A OE2 no hydrogen 3.421 N/A LYS 12.A NZ GLU 65.A OE2 no hydrogen 2.520 N/A LYS 13.A N GLU 9.A O no hydrogen 2.867 N/A THR 14.A N LYS 10.A O no hydrogen 2.865 N/A THR 14.A N MET 11.A O no hydrogen 3.242 N/A THR 14.A OG1 LYS 10.A O no hydrogen 2.781 N/A GLY 15.A N LYS 12.A O no hydrogen 3.323 N/A ARG 16.A N MET 11.A O no hydrogen 2.859 N/A ARG 16.A NE GLY 47.A O no hydrogen 2.821 N/A ARG 16.A NH1 THR 14.A OG1 no hydrogen 2.757 N/A ARG 16.A NH2 ASP 290.A OD1 no hydrogen 2.644 N/A ASN 17.A N ARG 46.A O no hydrogen 3.020 N/A ASN 17.A ND2 LYS 68.A O no hydrogen 3.080 N/A ILE 18.A N ARG 46.A O no hydrogen 3.334 N/A ILE 19.A N LEU 70.A O no hydrogen 3.238 N/A VAL 20.A N MET 48.A O no hydrogen 2.883 N/A PHE 21.A N VAL 72.A O no hydrogen 2.833 N/A TYR 22.A N ALA 50.A O no hydrogen 3.229 N/A GLY 23.A N CYS 74.A O no hydrogen 2.923 N/A GLU 31.A N GLY 27.A O no hydrogen 3.066 N/A PHE 32.A N THR 28.A O no hydrogen 3.230 N/A ALA 33.A N ALA 29.A O no hydrogen 2.980 N/A ASN 34.A N GLU 30.A O no hydrogen 3.136 N/A ARG 35.A N GLU 31.A O no hydrogen 3.033 N/A ARG 35.A NH1 GLU 151.A OE1 no hydrogen 2.897 N/A ARG 35.A NH1 GLU 151.A OE2 no hydrogen 3.282 N/A ARG 35.A NH2 THR 321.A OG1 no hydrogen 3.011 N/A LEU 36.A N PHE 32.A O no hydrogen 2.953 N/A SER 37.A N ALA 33.A O no hydrogen 2.821 N/A LYS 38.A N ASN 34.A O no hydrogen 2.874 N/A ASP 39.A N ARG 35.A O no hydrogen 2.917 N/A ALA 40.A N LEU 36.A O no hydrogen 3.321 N/A ARG 42.A N ASP 39.A O no hydrogen 2.722 N/A TYR 43.A N ALA 40.A O no hydrogen 2.875 N/A MET 45.A N ALA 40.A O no hydrogen 3.182 N/A ARG 46.A N ASN 17.A OD1 no hydrogen 3.070 N/A MET 48.A N ILE 18.A O no hydrogen 3.159 N/A SER 49.A OG ASN 34.A OD1 no hydrogen 2.508 N/A ALA 50.A N VAL 20.A O no hydrogen 2.801 N/A GLU 53.A N ASP 51.A OD1 no hydrogen 2.940 N/A GLU 54.A N ASP 51.A O no hydrogen 3.047 N/A TYR 55.A N PRO 52.A O no hydrogen 3.125 N/A ALA 58.A N ASP 56.A OD1 no hydrogen 3.279 N/A ASP 59.A N ASP 56.A O no hydrogen 3.142 N/A LEU 60.A N LEU 57.A O no hydrogen 2.951 N/A SER 61.A N ALA 58.A O no hydrogen 3.244 N/A SER 62.A N ASP 59.A O no hydrogen 2.831 N/A LEU 63.A N LEU 60.A O no hydrogen 2.983 N/A GLU 65.A N SER 62.A O no hydrogen 2.966 N/A ILE 66.A N LEU 63.A O no hydrogen 2.970 N/A SER 69.A N ILE 66.A O no hydrogen 3.252 N/A SER 69.A OG LEU 63.A O no hydrogen 2.920 N/A SER 69.A OG ILE 66.A O no hydrogen 2.970 N/A LEU 70.A N ASN 17.A O no hydrogen 2.981 N/A VAL 71.A N LYS 105.A O no hydrogen 2.945 N/A VAL 72.A N ILE 19.A O no hydrogen 2.972 N/A PHE 73.A N ALA 107.A O no hydrogen 2.934 N/A CYS 74.A N PHE 21.A O no hydrogen 2.757 N/A MET 75.A N PHE 109.A O no hydrogen 3.026 N/A ALA 76.A N GLY 23.A O no hydrogen 2.954 N/A GLU 80.A N ASP 82.A OD2 no hydrogen 3.346 N/A ASP 82.A N TYR 78.A O no hydrogen 2.978 N/A THR 84.A OG1 ASN 86.A OD1 no hydrogen 2.409 N/A ASP 85.A N GLN 25.A OE1 no hydrogen 3.240 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 2.804 N/A ASN 86.A ND2 ASP 51.A OD1 no hydrogen 2.779 N/A ALA 87.A N THR 84.A O no hydrogen 2.721 N/A GLN 88.A N ASP 85.A O no hydrogen 3.353 N/A TYR 91.A N ALA 87.A O no hydrogen 2.946 N/A ASP 92.A N GLN 88.A O no hydrogen 2.806 N/A TRP 93.A N ASP 89.A O no hydrogen 2.843 N/A LEU 94.A N PHE 90.A O no hydrogen 2.926 N/A GLN 95.A N TYR 91.A O no hydrogen 3.425 N/A GLN 95.A NE2 TYR 91.A O no hydrogen 3.625 N/A GLU 96.A N ASP 92.A O no hydrogen 3.277 N/A THR 97.A N TRP 93.A O no hydrogen 2.752 N/A VAL 99.A N THR 97.A OG1 no hydrogen 3.038 N/A LEU 101.A N LEU 133.A O no hydrogen 2.959 N/A THR 102.A N ASP 100.A OD1 no hydrogen 3.297 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.679 N/A THR 102.A OG1 ASP 100.A OD2 no hydrogen 3.331 N/A VAL 104.A N LEU 101.A O no hydrogen 2.968 N/A LYS 105.A NZ GLN 136.A OE1 no hydrogen 3.353 N/A PHE 106.A N GLN 136.A O no hydrogen 3.087 N/A ALA 107.A N VAL 71.A O no hydrogen 3.114 N/A PHE 109.A N PHE 73.A O no hydrogen 2.812 N/A GLY 110.A N GLY 142.A O no hydrogen 2.758 N/A LEU 111.A N MET 75.A O no hydrogen 2.816 N/A LYS 114.A N ASN 113.A OD1 no hydrogen 2.073 N/A LYS 114.A NZ ASP 145.A OD2 no hydrogen 3.375 N/A MET 122.A N THR 77.A OG1 no hydrogen 3.184 N/A LYS 124.A N ASN 120.A O no hydrogen 3.086 N/A LYS 124.A NZ PHE 119.A O no hydrogen 2.729 N/A TYR 125.A N ALA 121.A O no hydrogen 2.967 N/A VAL 126.A N MET 122.A O no hydrogen 2.934 N/A ASP 127.A N GLY 123.A O no hydrogen 3.162 N/A GLN 128.A N LYS 124.A O no hydrogen 3.044 N/A ARG 129.A N TYR 125.A O no hydrogen 2.699 N/A ARG 129.A NE LEU 94.A O no hydrogen 2.626 N/A ARG 129.A NH1 GLN 132.A OE1 no hydrogen 2.812 N/A ARG 129.A NH2 LEU 94.A O no hydrogen 3.119 N/A LEU 130.A N VAL 126.A O no hydrogen 2.967 N/A GLN 132.A N GLN 128.A O no hydrogen 3.072 N/A LEU 133.A N ARG 129.A O no hydrogen 2.832 N/A GLY 134.A N GLU 131.A O no hydrogen 2.886 N/A ALA 135.A N LEU 130.A O no hydrogen 2.974 N/A GLN 136.A N VAL 104.A O no hydrogen 2.783 N/A ARG 137.A NE ASP 127.A OD2 no hydrogen 2.749 N/A ARG 137.A NH1 GLU 131.A OE1 no hydrogen 3.001 N/A ARG 137.A NH2 ASP 127.A O no hydrogen 3.251 N/A ARG 137.A NH2 ASP 127.A OD1 no hydrogen 3.081 N/A ARG 137.A NH2 ASP 127.A OD2 no hydrogen 3.264 N/A ARG 137.A NH2 GLU 131.A OE2 no hydrogen 3.354 N/A ILE 138.A N PHE 106.A O no hydrogen 2.704 N/A GLY 142.A N VAL 108.A O no hydrogen 2.870 N/A GLY 144.A N GLY 110.A O no hydrogen 2.892 N/A ASP 145.A N ASP 153.A OD2 no hydrogen 2.978 N/A ASP 146.A N GLY 112.A O no hydrogen 3.311 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 2.523 N/A GLY 148.A N ASP 145.A O no hydrogen 3.204 N/A GLU 152.A N ASN 149.A OD1 no hydrogen 2.785 N/A ASP 153.A N ASN 149.A O no hydrogen 3.206 N/A PHE 154.A N LEU 150.A O no hydrogen 2.757 N/A ILE 155.A N GLU 151.A O no hydrogen 2.859 N/A THR 156.A N GLU 152.A O no hydrogen 2.989 N/A THR 156.A OG1 GLU 152.A O no hydrogen 3.029 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 3.071 N/A ARG 158.A N PHE 154.A O no hydrogen 2.734 N/A ARG 158.A NE ASP 39.A OD1 no hydrogen 2.876 N/A ARG 158.A NH2 ASP 39.A OD1 no hydrogen 3.532 N/A ARG 158.A NH2 ASP 39.A OD2 no hydrogen 2.805 N/A GLU 159.A N ILE 155.A O no hydrogen 2.965 N/A GLN 160.A N TRP 157.A O no hydrogen 3.056 N/A PHE 161.A N TRP 157.A O no hydrogen 2.816 N/A TRP 162.A N ARG 158.A O no hydrogen 3.396 N/A TRP 162.A NE1 ASP 39.A OD1 no hydrogen 3.037 N/A ALA 164.A N GLN 160.A O no hydrogen 3.172 N/A VAL 165.A N PHE 161.A O no hydrogen 2.910 N/A CYS 166.A N TRP 162.A O no hydrogen 2.838 N/A CYS 166.A SG TRP 162.A O no hydrogen 3.259 N/A GLU 167.A N PRO 163.A O no hydrogen 2.962 N/A PHE 168.A N ALA 164.A O no hydrogen 3.052 N/A PHE 169.A N VAL 165.A O no hydrogen 3.026 N/A VAL 171.A N CYS 166.A O no hydrogen 2.834 N/A THR 174.A N GLU 172.A O no hydrogen 2.457 N/A THR 174.A OG1 GLU 172.A O no hydrogen 3.261 N/A SER 179.A OG GLU 326.A OE2 no hydrogen 3.420 N/A SER 179.A OG GLN 329.A OE1 no hydrogen 2.838 N/A ARG 181.A NE GLU 384.A OE2 no hydrogen 3.082 N/A ARG 181.A NH1 ASP 380.A OD2 no hydrogen 2.486 N/A ARG 181.A NH2 ASP 380.A OD2 no hydrogen 2.982 N/A ARG 181.A NH2 GLU 384.A OE2 no hydrogen 3.111 N/A GLN 182.A N GLU 384.A OE1 no hydrogen 2.746 N/A TYR 183.A N GLU 384.A OE2 no hydrogen 3.303 N/A GLU 184.A N ASN 287.A O no hydrogen 2.783 N/A VAL 186.A N SER 285.A O no hydrogen 2.969 N/A HIS 188.A N ILE 283.A O no hydrogen 2.892 N/A MET 191.A N ASP 190.A OD1 no hydrogen 2.511 N/A LYS 195.A N ASP 192.A O no hydrogen 2.698 N/A VAL 196.A N VAL 193.A O no hydrogen 3.274 N/A TYR 197.A N PRO 302.A O no hydrogen 2.815 N/A TYR 197.A OH GLY 202.A O no hydrogen 3.072 N/A THR 198.A N GLU 200.A OE1 no hydrogen 2.740 N/A THR 198.A OG1 GLU 200.A OE1 no hydrogen 3.274 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.565 N/A LYS 205.A N GLU 200.A OE2 no hydrogen 2.696 N/A SER 206.A N ARG 203.A O no hydrogen 2.896 N/A SER 206.A OG ARG 203.A O no hydrogen 2.492 N/A GLU 208.A N LYS 205.A O no hydrogen 3.244 N/A ASN 209.A N LYS 205.A O no hydrogen 2.803 N/A GLN 210.A NE2 SER 206.A O no hydrogen 2.986 N/A GLN 210.A NE2 PRO 219.A O no hydrogen 3.266 N/A ASP 215.A N ASN 218.A O no hydrogen 2.898 N/A LYS 217.A N ASP 215.A OD1 no hydrogen 3.175 N/A ASN 218.A N ASP 215.A O no hydrogen 2.932 N/A ASN 218.A N ASP 215.A OD1 no hydrogen 3.074 N/A PHE 220.A N MET 449.A O no hydrogen 2.730 N/A LEU 221.A N GLN 210.A OE1 no hydrogen 2.836 N/A ALA 222.A N VAL 447.A O no hydrogen 2.985 N/A VAL 224.A N ALA 445.A O no hydrogen 2.664 N/A THR 225.A N GLU 242.A O no hydrogen 2.824 N/A THR 225.A OG1 GLU 242.A O no hydrogen 2.759 N/A ALA 226.A N GLU 242.A O no hydrogen 3.485 N/A ASN 227.A ND2 LEU 432.A O no hydrogen 3.101 N/A ASN 227.A ND2 ARG 433.A O no hydrogen 3.303 N/A ASN 227.A ND2 LYS 435.A O no hydrogen 2.705 N/A ARG 228.A N HIS 240.A O no hydrogen 2.909 N/A ARG 228.A NH2 GLU 516.A OE2 no hydrogen 2.816 N/A LYS 229.A NZ ASN 231.A OD1 no hydrogen 2.978 N/A LYS 229.A NZ GLY 233.A O no hydrogen 3.173 N/A LEU 230.A N LEU 238.A O no hydrogen 2.647 N/A ASN 231.A ND2 ARG 236.A O no hydrogen 2.808 N/A GLY 233.A N GLU 509.A O no hydrogen 2.772 N/A GLU 235.A N GLU 509.A OE1 no hydrogen 3.119 N/A ARG 236.A NH1 ASP 510.A OD2 no hydrogen 3.097 N/A LEU 238.A N ASN 231.A OD1 no hydrogen 2.922 N/A MET 239.A N ALA 411.A O no hydrogen 2.795 N/A HIS 240.A N ARG 228.A O no hydrogen 2.824 N/A LEU 241.A N ILE 409.A O no hydrogen 2.866 N/A GLU 242.A N ALA 226.A O no hydrogen 2.916 N/A LEU 243.A N VAL 407.A O no hydrogen 2.986 N/A ASP 244.A N ALA 223.A O no hydrogen 2.923 N/A ILE 245.A N ASN 405.A O no hydrogen 3.019 N/A SER 246.A N ASP 244.A OD1 no hydrogen 3.031 N/A SER 246.A OG ASP 244.A OD1 no hydrogen 2.719 N/A SER 248.A N ILE 245.A O no hydrogen 3.129 N/A SER 248.A OG ILE 245.A O no hydrogen 2.686 N/A ILE 250.A N SER 248.A OG no hydrogen 3.063 N/A TYR 252.A OH SER 398.A OG no hydrogen 3.008 N/A TYR 252.A OH HIS 403.A O no hydrogen 2.810 N/A TYR 252.A OH SER 406.A O no hydrogen 2.826 N/A GLU 253.A N ASP 256.A OD2 no hydrogen 2.891 N/A SER 254.A OG GLU 484.A OE1 no hydrogen 2.837 N/A ASP 256.A N GLU 253.A O no hydrogen 2.928 N/A HIS 257.A N ARG 452.A O no hydrogen 3.072 N/A VAL 258.A N TYR 394.A O no hydrogen 2.872 N/A ALA 259.A N PHE 450.A O no hydrogen 2.871 N/A VAL 260.A N ARG 392.A O no hydrogen 2.910 N/A TYR 261.A N PRO 448.A O no hydrogen 3.009 N/A TYR 261.A OH ALA 216.A O no hydrogen 2.596 N/A ASN 264.A N THR 310.A O no hydrogen 2.843 N/A ASN 264.A ND2 LEU 309.A O no hydrogen 2.797 N/A ASN 264.A ND2 LEU 313.A O no hydrogen 2.922 N/A ALA 267.A N ASP 265.A OD1 no hydrogen 2.767 N/A VAL 269.A N ASP 265.A O no hydrogen 3.043 N/A ASN 270.A N SER 266.A O no hydrogen 2.831 N/A GLN 271.A N ALA 267.A O no hydrogen 2.972 N/A ILE 272.A N LEU 268.A O no hydrogen 3.228 N/A GLY 273.A N VAL 269.A O no hydrogen 3.249 N/A GLU 274.A N ASN 270.A O no hydrogen 2.912 N/A ILE 275.A N GLN 271.A O no hydrogen 2.856 N/A LEU 276.A N ILE 272.A O no hydrogen 3.199 N/A GLY 277.A N GLU 274.A O no hydrogen 2.937 N/A ALA 278.A N GLY 273.A O no hydrogen 2.930 N/A ASP 281.A N ASP 279.A OD2 no hydrogen 2.925 N/A VAL 282.A N ASP 279.A O no hydrogen 3.458 N/A MET 284.A N THR 303.A O no hydrogen 2.864 N/A SER 285.A N VAL 186.A O no hydrogen 2.955 N/A ASN 287.A N GLU 184.A O no hydrogen 2.932 N/A ASN 288.A N LYS 296.A O no hydrogen 3.061 N/A LEU 289.A N GLN 182.A O no hydrogen 2.873 N/A GLU 292.A N ASP 290.A OD2 no hydrogen 2.866 N/A SER 293.A N ASP 290.A O no hydrogen 3.153 N/A SER 293.A OG ASN 288.A OD1 no hydrogen 3.481 N/A LYS 295.A N SER 293.A OG no hydrogen 3.107 N/A LYS 296.A NZ GLU 291.A O no hydrogen 3.226 N/A CYS 301.A SG PHE 299.A O no hydrogen 3.341 N/A THR 303.A N MET 284.A O no hydrogen 2.888 N/A THR 303.A OG1 TYR 197.A O no hydrogen 2.943 N/A THR 304.A OG1 THR 307.A OG1 no hydrogen 3.052 N/A ARG 306.A N LEU 280.A O no hydrogen 2.939 N/A ARG 306.A NE ASP 281.A OD2 no hydrogen 2.790 N/A ARG 306.A NH2 ASP 281.A OD1 no hydrogen 3.124 N/A ARG 306.A NH2 ASP 281.A OD2 no hydrogen 3.376 N/A THR 307.A N THR 304.A OG1 no hydrogen 3.079 N/A THR 307.A OG1 THR 304.A OG1 no hydrogen 3.052 N/A ALA 308.A N THR 304.A O no hydrogen 3.051 N/A LEU 309.A N TYR 305.A O no hydrogen 2.859 N/A THR 310.A N ARG 306.A O no hydrogen 2.936 N/A THR 310.A N THR 307.A O no hydrogen 3.243 N/A THR 310.A OG1 ARG 306.A O no hydrogen 2.680 N/A TYR 311.A N THR 307.A O no hydrogen 2.872 N/A TYR 312.A N ALA 308.A O no hydrogen 3.011 N/A TYR 312.A OH GLU 200.A O no hydrogen 2.701 N/A LEU 313.A N ALA 308.A O no hydrogen 2.883 N/A ASP 314.A N PRO 387.A O no hydrogen 2.823 N/A THR 316.A N ASP 314.A OD2 no hydrogen 3.100 N/A THR 316.A OG1 ASP 314.A OD2 no hydrogen 3.566 N/A ASN 317.A N ASP 314.A OD2 no hydrogen 3.034 N/A ASN 317.A ND2 ASP 314.A OD1 no hydrogen 2.825 N/A ARG 320.A NH1 GLU 151.A OE1 no hydrogen 3.501 N/A THR 321.A N GLU 151.A OE2 no hydrogen 2.624 N/A THR 321.A OG1 GLU 151.A OE2 no hydrogen 2.745 N/A VAL 323.A N ARG 320.A O no hydrogen 3.100 N/A LEU 324.A N ARG 320.A O no hydrogen 3.246 N/A TYR 325.A N THR 321.A O no hydrogen 2.904 N/A TYR 325.A OH GLU 177.A OE1 no hydrogen 2.532 N/A GLU 326.A N ASN 322.A O no hydrogen 2.945 N/A LEU 327.A N VAL 323.A O no hydrogen 2.992 N/A ALA 328.A N LEU 324.A O no hydrogen 3.013 N/A TYR 330.A N LEU 327.A O no hydrogen 2.804 N/A TYR 330.A OH HIS 381.A ND1 no hydrogen 2.775 N/A ALA 331.A N ALA 328.A O no hydrogen 3.021 N/A SER 332.A N SER 374.A O no hydrogen 3.191 N/A GLU 333.A N SER 374.A OG no hydrogen 2.991 N/A GLU 336.A N GLU 333.A O no hydrogen 2.926 N/A GLN 337.A N GLU 333.A O no hydrogen 2.956 N/A GLU 338.A N PRO 334.A O no hydrogen 2.892 N/A HIS 339.A N SER 335.A O no hydrogen 3.074 N/A LEU 340.A N GLU 336.A O no hydrogen 3.089 N/A HIS 341.A N GLN 337.A O no hydrogen 2.959 N/A LYS 342.A N GLU 338.A O no hydrogen 2.950 N/A MET 343.A N LEU 340.A O no hydrogen 3.342 N/A SER 345.A N LYS 342.A O no hydrogen 3.126 N/A SER 345.A OG LYS 342.A O no hydrogen 2.685 N/A SER 346.A OG GLU 159.A OE1 no hydrogen 2.533 N/A SER 346.A OG GLU 159.A OE2 no hydrogen 3.193 N/A LYS 351.A NZ SER 346.A O no hydrogen 3.162 N/A GLU 352.A N GLY 348.A O no hydrogen 3.092 N/A LEU 353.A N GLU 349.A O no hydrogen 2.763 N/A TYR 354.A N GLY 350.A O no hydrogen 3.095 N/A TYR 354.A OH PRO 319.A O no hydrogen 3.296 N/A LEU 355.A N LYS 351.A O no hydrogen 2.926 N/A SER 356.A N GLU 352.A O no hydrogen 2.999 N/A SER 356.A OG GLU 352.A O no hydrogen 2.872 N/A SER 356.A OG LEU 353.A O no hydrogen 3.313 N/A TRP 357.A N LEU 353.A O no hydrogen 2.710 N/A VAL 358.A N TYR 354.A O no hydrogen 3.147 N/A VAL 359.A N TYR 354.A O no hydrogen 3.063 N/A GLU 360.A N LEU 355.A O no hydrogen 2.769 N/A ALA 361.A N SER 356.A O no hydrogen 2.928 N/A ARG 362.A N VAL 359.A O no hydrogen 3.073 N/A ARG 362.A NE TYR 416.A OH no hydrogen 3.202 N/A ARG 362.A NH1 ASN 317.A OD1 no hydrogen 2.978 N/A ARG 363.A N VAL 358.A O no hydrogen 2.960 N/A ARG 363.A NE ASP 371.A OD1 no hydrogen 2.813 N/A ARG 363.A NH1 TRP 357.A O no hydrogen 2.809 N/A ARG 363.A NH2 ASP 371.A OD1 no hydrogen 3.130 N/A ILE 368.A N HIS 364.A O no hydrogen 3.128 N/A LEU 369.A N ILE 365.A O no hydrogen 2.921 N/A GLN 370.A N LEU 366.A O no hydrogen 2.844 N/A ASP 371.A N ALA 367.A O no hydrogen 2.830 N/A TYR 372.A N ILE 368.A O no hydrogen 2.886 N/A SER 374.A N GLU 336.A OE2 no hydrogen 2.916 N/A SER 374.A OG GLU 336.A OE2 no hydrogen 2.609 N/A LEU 375.A N TYR 372.A O no hydrogen 2.961 N/A ARG 376.A N TYR 330.A O no hydrogen 3.136 N/A ARG 376.A NH1 LEU 369.A O no hydrogen 3.003 N/A ARG 376.A NH1 LEU 375.A O no hydrogen 2.725 N/A HIS 381.A N PRO 378.A O no hydrogen 3.270 N/A HIS 381.A ND1 TYR 330.A OH no hydrogen 2.775 N/A LEU 382.A N PRO 378.A O no hydrogen 3.349 N/A CYS 383.A N ILE 379.A O no hydrogen 3.028 N/A CYS 383.A SG ILE 379.A O no hydrogen 3.504 N/A GLU 384.A N ASP 380.A O no hydrogen 3.259 N/A LEU 385.A N HIS 381.A O no hydrogen 2.917 N/A LEU 386.A N LEU 382.A O no hydrogen 2.878 N/A ARG 388.A NE TYR 312.A O no hydrogen 2.821 N/A ARG 388.A NH1 PRO 298.A O no hydrogen 3.536 N/A LEU 389.A N TYR 312.A O no hydrogen 2.808 N/A ARG 392.A N VAL 260.A O no hydrogen 2.948 N/A ARG 392.A NH2 GLN 390.A O no hydrogen 2.742 N/A TYR 394.A N VAL 258.A O no hydrogen 2.874 N/A ILE 396.A N ASP 256.A O no hydrogen 3.080 N/A ALA 397.A N HIS 408.A O no hydrogen 2.863 N/A SER 398.A OG TYR 252.A OH no hydrogen 3.008 N/A SER 398.A OG SER 406.A O no hydrogen 3.559 N/A SER 399.A N GLN 483.A OE1 no hydrogen 2.979 N/A SER 399.A OG GLU 484.A OE1 no hydrogen 2.428 N/A SER 400.A OG TYR 252.A O no hydrogen 2.628 N/A SER 400.A OG GLU 253.A OE2 no hydrogen 3.545 N/A LYS 401.A N SER 399.A OG no hydrogen 3.102 N/A VAL 402.A N SER 399.A O no hydrogen 3.124 N/A HIS 403.A N SER 399.A O no hydrogen 2.720 N/A SER 406.A N HIS 403.A O no hydrogen 3.230 N/A SER 406.A OG LEU 243.A O no hydrogen 3.342 N/A SER 406.A OG HIS 408.A NE2 no hydrogen 3.307 N/A VAL 407.A N LEU 243.A O no hydrogen 3.003 N/A HIS 408.A N SER 398.A OG no hydrogen 3.169 N/A ILE 409.A N LEU 241.A O no hydrogen 2.827 N/A ALA 411.A N MET 239.A O no hydrogen 2.969 N/A ALA 413.A N HIS 237.A O no hydrogen 2.881 N/A VAL 414.A N THR 429.A OG1 no hydrogen 3.019 N/A TYR 416.A N ASN 424.A O no hydrogen 3.074 N/A ALA 418.A N ARG 422.A O no hydrogen 3.040 N/A GLY 421.A N ALA 418.A O no hydrogen 2.883 N/A ARG 422.A N SER 420.A OG no hydrogen 3.340 N/A ARG 422.A NH1 GLN 370.A OE1 no hydrogen 2.724 N/A ARG 422.A NH1 ASP 371.A OD2 no hydrogen 3.273 N/A ARG 422.A NH2 ASP 371.A OD1 no hydrogen 2.882 N/A ARG 422.A NH2 SER 420.A O no hydrogen 3.007 N/A ASN 424.A N TYR 416.A O no hydrogen 2.889 N/A GLY 426.A N VAL 414.A O no hydrogen 2.818 N/A SER 430.A N GLY 426.A O no hydrogen 3.026 N/A SER 430.A OG GLY 426.A O no hydrogen 2.630 N/A TRP 431.A N VAL 427.A O no hydrogen 3.199 N/A LEU 432.A N ALA 428.A O no hydrogen 2.746 N/A ARG 433.A N THR 429.A O no hydrogen 2.771 N/A ALA 434.A N SER 430.A O no hydrogen 3.169 N/A LYS 435.A N LEU 432.A O no hydrogen 3.086 N/A LYS 435.A NZ LEU 446.A O no hydrogen 2.820 N/A GLY 442.A N GLY 439.A O no hydrogen 3.115 N/A VAL 447.A N ALA 222.A O no hydrogen 2.680 N/A MET 449.A N PHE 220.A O no hydrogen 2.803 N/A PHE 450.A N ALA 259.A O no hydrogen 3.153 N/A ARG 452.A N HIS 257.A O no hydrogen 2.865 N/A SER 454.A N ASP 256.A OD1 no hydrogen 2.792 N/A SER 454.A OG GLY 255.A O no hydrogen 2.615 N/A PHE 456.A N SER 454.A OG no hydrogen 3.031 N/A ARG 457.A NH1 ASP 256.A OD1 no hydrogen 2.903 N/A ARG 457.A NH1 PHE 456.A O no hydrogen 3.106 N/A ARG 457.A NH2 ASP 256.A OD1 no hydrogen 2.714 N/A SER 462.A OG GLU 494.A O no hydrogen 2.726 N/A THR 464.A N LYS 461.A O no hydrogen 3.124 N/A THR 464.A OG1 LYS 461.A O no hydrogen 3.447 N/A VAL 466.A N GLU 497.A O no hydrogen 2.862 N/A ILE 467.A N HIS 564.A O no hydrogen 2.898 N/A MET 468.A N LEU 499.A O no hydrogen 2.867 N/A VAL 469.A N TYR 566.A O no hydrogen 2.765 N/A GLY 470.A N TYR 501.A O no hydrogen 3.034 N/A GLY 472.A N GLY 503.A O no hydrogen 2.836 N/A GLY 474.A N PRO 471.A O no hydrogen 2.931 N/A ILE 475.A N GLY 472.A O no hydrogen 3.048 N/A ALA 476.A N THR 473.A O no hydrogen 3.103 N/A MET 479.A N ILE 475.A O no hydrogen 3.167 N/A MET 479.A N ALA 476.A O no hydrogen 3.298 N/A GLY 480.A N PRO 477.A O no hydrogen 3.056 N/A PHE 481.A N PRO 477.A O no hydrogen 3.122 N/A ILE 482.A N PHE 478.A O no hydrogen 2.825 N/A GLN 483.A N MET 479.A O no hydrogen 2.987 N/A GLU 484.A N GLY 480.A O no hydrogen 2.937 N/A ARG 485.A N PHE 481.A O no hydrogen 2.796 N/A ARG 485.A NE THR 498.A OG1 no hydrogen 3.009 N/A ARG 485.A NH2 THR 464.A O no hydrogen 2.728 N/A ARG 485.A NH2 GLU 497.A O no hydrogen 3.522 N/A ALA 486.A N ILE 482.A O no hydrogen 2.780 N/A TRP 487.A N GLN 483.A O no hydrogen 2.819 N/A LEU 488.A N GLU 484.A O no hydrogen 2.784 N/A ARG 489.A N ARG 485.A O no hydrogen 3.229 N/A GLU 490.A N ALA 486.A O no hydrogen 2.940 N/A GLN 491.A N TRP 487.A O no hydrogen 2.776 N/A GLN 491.A N LEU 488.A O no hydrogen 3.026 N/A GLY 492.A N ARG 489.A O no hydrogen 2.887 N/A LYS 493.A N LEU 488.A O no hydrogen 3.070 N/A GLY 496.A N SER 462.A O no hydrogen 2.989 N/A THR 498.A N THR 527.A OG1 no hydrogen 2.817 N/A THR 498.A OG1 GLY 496.A O no hydrogen 3.477 N/A LEU 499.A N VAL 466.A O no hydrogen 2.866 N/A LEU 500.A N GLN 528.A O no hydrogen 3.073 N/A TYR 501.A N MET 468.A O no hydrogen 2.747 N/A TYR 501.A OH ASP 550.A OD1 no hydrogen 2.544 N/A TYR 502.A N ASN 530.A O no hydrogen 2.779 N/A TYR 502.A OH ASP 510.A O no hydrogen 3.290 N/A CYS 504.A N ALA 532.A O no hydrogen 3.077 N/A CYS 504.A SG ARG 506.A O no hydrogen 3.709 N/A ARG 505.A N ASP 510.A OD1 no hydrogen 3.039 N/A ARG 506.A NE ASP 508.A OD1 no hydrogen 3.489 N/A SER 507.A N GLU 536.A OE1 no hydrogen 2.686 N/A SER 507.A OG GLU 536.A OE1 no hydrogen 2.978 N/A GLU 509.A N ARG 506.A O no hydrogen 2.993 N/A ASP 510.A N ARG 506.A O no hydrogen 3.250 N/A LEU 512.A N TYR 502.A OH no hydrogen 2.962 N/A ARG 514.A NE GLU 515.A OE2 no hydrogen 2.943 N/A ARG 514.A NH1 SER 507.A O no hydrogen 2.897 N/A ARG 514.A NH2 GLU 515.A OE2 no hydrogen 3.532 N/A GLU 516.A N GLU 516.A OE1 no hydrogen 2.649 N/A LEU 517.A N TYR 513.A O no hydrogen 2.875 N/A ALA 518.A N ARG 514.A O no hydrogen 3.058 N/A ARG 519.A N GLU 515.A O no hydrogen 3.024 N/A PHE 520.A N GLU 516.A O no hydrogen 2.946 N/A HIS 521.A N LEU 517.A O no hydrogen 2.877 N/A LYS 522.A N ALA 518.A O no hydrogen 2.823 N/A ASP 523.A N ARG 519.A O no hydrogen 2.957 N/A GLY 524.A N HIS 521.A O no hydrogen 3.020 N/A LEU 526.A N PHE 520.A O no hydrogen 3.167 N/A THR 527.A N THR 498.A O no hydrogen 2.722 N/A THR 527.A OG1 THR 498.A O no hydrogen 3.419 N/A ASN 530.A N LEU 500.A O no hydrogen 2.869 N/A ALA 532.A N TYR 502.A O no hydrogen 2.820 N/A SER 534.A N CYS 504.A O no hydrogen 2.927 N/A SER 534.A OG CYS 504.A O no hydrogen 3.473 N/A ARG 535.A N ARG 505.A O no hydrogen 2.862 N/A GLN 537.A NE2 PHE 533.A O no hydrogen 2.820 N/A GLN 537.A NE2 HIS 539.A O no hydrogen 2.836 N/A TYR 542.A N HIS 545.A ND1 no hydrogen 2.711 N/A HIS 545.A N TYR 542.A O no hydrogen 2.922 N/A LEU 547.A N VAL 543.A O no hydrogen 2.964 N/A LYS 548.A N GLN 544.A O no hydrogen 2.953 N/A ARG 549.A N HIS 545.A O no hydrogen 3.022 N/A ARG 549.A NE ASP 550.A OD2 no hydrogen 2.739 N/A ARG 549.A NH2 ASN 530.A OD1 no hydrogen 2.979 N/A ARG 549.A NH2 ASP 550.A OD1 no hydrogen 2.925 N/A ARG 549.A NH2 ASP 550.A OD2 no hydrogen 3.395 N/A ASP 550.A N LEU 546.A O no hydrogen 2.973 N/A ARG 551.A N LYS 548.A O no hydrogen 3.102 N/A ARG 551.A NH1 LYS 548.A O no hydrogen 2.802 N/A HIS 553.A NE2 GLU 497.A OE1 no hydrogen 2.828 N/A LEU 554.A N ASP 550.A O no hydrogen 2.991 N/A TRP 555.A N ARG 551.A O no hydrogen 2.973 N/A LYS 556.A N GLU 552.A O no hydrogen 3.216 N/A LEU 557.A N HIS 553.A O no hydrogen 3.086 N/A ILE 558.A N LEU 554.A O no hydrogen 2.828 N/A HIS 559.A N TRP 555.A O no hydrogen 2.695 N/A HIS 559.A ND1 TYR 600.A OH no hydrogen 3.142 N/A GLU 560.A N LYS 556.A O no hydrogen 2.867 N/A GLY 561.A N LYS 556.A O no hydrogen 2.933 N/A ALA 563.A N LEU 557.A O no hydrogen 2.769 N/A HIS 564.A N PRO 465.A O no hydrogen 2.931 N/A ILE 565.A N ARG 609.A O no hydrogen 2.763 N/A TYR 566.A N ILE 467.A O no hydrogen 2.821 N/A TYR 566.A OH ARG 457.A O no hydrogen 2.481 N/A VAL 567.A N SER 611.A O no hydrogen 2.986 N/A ALA 568.A N VAL 469.A O no hydrogen 2.927 N/A GLY 569.A N ASN 613.A O no hydrogen 3.191 N/A ALA 571.A N TRP 615.A O no hydrogen 3.074 N/A ARG 572.A N ASP 570.A OD2 no hydrogen 3.173 N/A ASN 573.A N ASP 570.A OD1 no hydrogen 2.993 N/A MET 574.A N ASP 570.A OD1 no hydrogen 3.060 N/A ALA 575.A N ASP 570.A O no hydrogen 3.112 N/A LYS 576.A NZ THR 115.A O no hydrogen 2.805 N/A ASP 577.A N ASN 573.A O no hydrogen 2.941 N/A VAL 578.A N MET 574.A O no hydrogen 2.793 N/A GLN 579.A N ALA 575.A O no hydrogen 2.916 N/A GLN 579.A NE2 TYR 583.A OH no hydrogen 2.436 N/A ASN 580.A N LYS 576.A O no hydrogen 2.888 N/A THR 581.A N ASP 577.A O no hydrogen 2.973 N/A THR 581.A OG1 ASP 577.A O no hydrogen 3.294 N/A PHE 582.A N VAL 578.A O no hydrogen 3.058 N/A TYR 583.A N GLN 579.A O no hydrogen 2.998 N/A ASP 584.A N ASN 580.A O no hydrogen 3.062 N/A ILE 585.A N THR 581.A O no hydrogen 2.941 N/A VAL 586.A N PHE 582.A O no hydrogen 2.963 N/A ALA 587.A N TYR 583.A O no hydrogen 2.819 N/A GLU 588.A N ASP 584.A O no hydrogen 2.997 N/A PHE 589.A N ILE 585.A O no hydrogen 3.025 N/A GLY 590.A N VAL 586.A O no hydrogen 2.737 N/A MET 592.A N ALA 587.A O no hydrogen 3.177 N/A ALA 597.A N GLU 593.A O no hydrogen 2.999 N/A VAL 598.A N HIS 594.A O no hydrogen 2.904 N/A ASP 599.A N THR 595.A O no hydrogen 3.251 N/A TYR 600.A N GLN 596.A O no hydrogen 2.876 N/A TYR 600.A OH HIS 559.A ND1 no hydrogen 3.142 N/A VAL 601.A N ALA 597.A O no hydrogen 2.884 N/A LYS 602.A N VAL 598.A O no hydrogen 2.786 N/A LYS 603.A N ASP 599.A O no hydrogen 2.873 N/A LYS 603.A N TYR 600.A O no hydrogen 3.193 N/A LEU 604.A N TYR 600.A O no hydrogen 3.160 N/A MET 605.A N VAL 601.A O no hydrogen 3.302 N/A THR 606.A N LYS 602.A O no hydrogen 3.268 N/A THR 606.A OG1 LYS 603.A O no hydrogen 2.587 N/A LYS 607.A N LYS 603.A O no hydrogen 2.789 N/A GLY 608.A N MET 605.A O no hydrogen 3.246 N/A ARG 609.A N LEU 604.A O no hydrogen 2.679 N/A ARG 609.A NE ALA 563.A O no hydrogen 3.113 N/A ARG 609.A NH2 ILE 558.A O no hydrogen 2.736 N/A ARG 609.A NH2 ALA 563.A O no hydrogen 2.893 N/A SER 611.A N ILE 565.A O no hydrogen 2.909 N/A ASN 613.A N VAL 567.A O no hydrogen 2.926 N/A TRP 615.A N GLY 569.A O no hydrogen 2.942 N/A