Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xl7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N GLN 5.A OE1 no hydrogen 2.762 N/A ARG 2.A NE GLU 130.A OE2 no hydrogen 3.339 N/A ARG 2.A NH2 GLU 130.A OE2 no hydrogen 2.562 N/A THR 3.A N GLU 130.A O no hydrogen 3.159 N/A THR 3.A OG1 LEU 132.A O no hydrogen 2.639 N/A PHE 4.A N GLU 130.A OE1 no hydrogen 3.209 N/A GLN 5.A N ARG 2.A O no hydrogen 3.078 N/A TYR 6.A OH GLU 1.A OE1 no hydrogen 2.904 N/A GLN 7.A N PHE 4.A O no hydrogen 3.310 N/A GLN 7.A NE2 ASP 143.A OD1 no hydrogen 2.846 N/A SER 9.A N TYR 6.A O no hydrogen 2.866 N/A LEU 10.A N GLN 7.A O no hydrogen 3.251 N/A LEU 13.A N ARG 68.A O no hydrogen 2.849 N/A SER 21.A N ALA 17.A O no hydrogen 3.127 N/A SER 21.A OG HIS 472.A ND1 no hydrogen 2.685 N/A LEU 22.A N LEU 18.A O no hydrogen 2.903 N/A LYS 23.A N GLU 19.A O no hydrogen 2.983 N/A LYS 23.A NZ GLU 20.A OE2 no hydrogen 3.259 N/A LYS 24.A N GLU 20.A O no hydrogen 2.967 N/A LYS 24.A NZ ASP 462.A OD2 no hydrogen 3.206 N/A LYS 24.A NZ LYS 467.A O no hydrogen 2.735 N/A TYR 25.A N SER 21.A O no hydrogen 2.966 N/A LEU 26.A N LEU 22.A O no hydrogen 2.997 N/A GLU 27.A N LYS 23.A O no hydrogen 3.060 N/A SER 28.A N LYS 24.A O no hydrogen 2.930 N/A SER 28.A OG TYR 25.A O no hydrogen 2.656 N/A VAL 29.A N TYR 25.A O no hydrogen 3.228 N/A VAL 29.A N LEU 26.A O no hydrogen 3.309 N/A LYS 30.A N GLU 27.A O no hydrogen 3.431 N/A LYS 30.A NZ GLU 27.A OE1 no hydrogen 2.777 N/A PHE 32.A N VAL 29.A O no hydrogen 3.014 N/A ALA 33.A N LYS 30.A O no hydrogen 3.283 N/A ASN 34.A N GLU 37.A OE1 no hydrogen 3.249 N/A GLU 37.A N ASN 34.A OD1 no hydrogen 2.963 N/A TYR 38.A N ASN 34.A O no hydrogen 3.045 N/A LYS 39.A N GLU 35.A O no hydrogen 3.029 N/A LYS 39.A NZ GLU 42.A OE1 no hydrogen 3.172 N/A LYS 40.A N ASP 36.A O no hydrogen 2.994 N/A THR 41.A N GLU 37.A O no hydrogen 2.938 N/A THR 41.A OG1 GLU 37.A O no hydrogen 3.093 N/A THR 41.A OG1 ASP 493.A OD2 no hydrogen 2.689 N/A GLU 42.A N TYR 38.A O no hydrogen 2.812 N/A GLU 43.A N LYS 39.A O no hydrogen 3.124 N/A ILE 44.A N LYS 40.A O no hydrogen 3.007 N/A VAL 45.A N THR 41.A O no hydrogen 2.852 N/A GLN 46.A N GLU 42.A O no hydrogen 2.907 N/A LYS 47.A N GLU 43.A O no hydrogen 2.997 N/A PHE 48.A N ILE 44.A O no hydrogen 3.010 N/A GLN 49.A N VAL 45.A O no hydrogen 2.855 N/A GLU 50.A N GLN 46.A O no hydrogen 3.029 N/A GLY 51.A N LYS 47.A O no hydrogen 2.766 N/A GLY 51.A N PHE 48.A O no hydrogen 3.246 N/A GLY 53.A N PHE 48.A O no hydrogen 2.832 N/A ARG 55.A N GLY 51.A O no hydrogen 3.282 N/A LEU 56.A N ALA 52.A O no hydrogen 2.819 N/A HIS 57.A N GLY 53.A O no hydrogen 2.818 N/A HIS 57.A ND1 HIS 472.A NE2 no hydrogen 3.051 N/A GLN 58.A N LYS 54.A O no hydrogen 3.156 N/A GLN 58.A NE2 GLU 62.A OE2 no hydrogen 3.128 N/A LYS 59.A N ARG 55.A O no hydrogen 3.139 N/A LYS 59.A NZ GLU 483.A OE1 no hydrogen 2.934 N/A LEU 60.A N LEU 56.A O no hydrogen 2.909 N/A LEU 61.A N HIS 57.A O no hydrogen 2.863 N/A GLU 62.A N GLN 58.A O no hydrogen 3.013 N/A ARG 63.A N LYS 59.A O no hydrogen 3.053 N/A ARG 63.A NE TRP 70.A O no hydrogen 2.977 N/A ALA 64.A N LEU 60.A O no hydrogen 2.984 N/A ARG 65.A N LEU 61.A O no hydrogen 2.998 N/A GLY 66.A N ARG 63.A O no hydrogen 3.052 N/A LYS 67.A N ALA 64.A O no hydrogen 3.330 N/A ARG 68.A NH2 GLN 7.A O no hydrogen 2.933 N/A ARG 68.A NH2 LEU 10.A O no hydrogen 2.797 N/A ASN 69.A ND2 TYR 418.A O no hydrogen 2.882 N/A TRP 70.A NE1 PRO 14.A O no hydrogen 3.010 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 2.937 N/A GLU 72.A N ASN 69.A OD1 no hydrogen 2.785 N/A TRP 74.A NE1 GLU 482.A OE2 no hydrogen 2.964 N/A TRP 75.A N LEU 71.A O no hydrogen 2.852 N/A LEU 76.A N GLU 72.A O no hydrogen 3.116 N/A ASN 77.A N GLU 73.A O no hydrogen 3.122 N/A VAL 78.A N TRP 74.A O no hydrogen 2.832 N/A ALA 79.A N TRP 75.A O no hydrogen 2.895 N/A TYR 80.A N LEU 76.A O no hydrogen 3.221 N/A LEU 81.A N LEU 76.A O no hydrogen 2.923 N/A ASP 82.A N ASN 77.A O no hydrogen 2.774 N/A VAL 83.A N TYR 80.A O no hydrogen 3.258 N/A ARG 84.A NE ASP 82.A O no hydrogen 2.932 N/A ARG 84.A NH1 GLY 156.A O no hydrogen 2.850 N/A ARG 84.A NH1 THR 231.A OG1 no hydrogen 3.248 N/A ARG 84.A NH2 LEU 81.A O no hydrogen 2.918 N/A ARG 84.A NH2 VAL 83.A O no hydrogen 3.455 N/A ARG 84.A NH2 ASP 160.A OD1 no hydrogen 2.924 N/A ASN 90.A N PRO 86.A O no hydrogen 3.331 N/A ASN 90.A ND2 PRO 86.A O no hydrogen 2.938 N/A VAL 91.A N SER 87.A O no hydrogen 2.864 N/A ASN 92.A N SER 87.A O no hydrogen 2.891 N/A PHE 93.A N CYS 309.A O no hydrogen 3.033 N/A VAL 94.A N VAL 520.A O no hydrogen 3.098 N/A GLY 95.A N CYS 307.A O no hydrogen 2.812 N/A CYS 97.A N PHE 305.A O no hydrogen 2.916 N/A GLU 101.A N PRO 98.A O no hydrogen 3.367 N/A HIS 102.A N HIS 99.A O no hydrogen 3.298 N/A TRP 104.A N HIS 99.A O no hydrogen 3.035 N/A TRP 104.A NE1 GLY 333.A O no hydrogen 3.090 N/A ARG 107.A N ASN 302.A O no hydrogen 2.826 N/A THR 110.A OG1 ARG 107.A O no hydrogen 2.852 N/A ARG 114.A N THR 110.A O no hydrogen 3.038 N/A ARG 114.A NH1 PRO 105.A O no hydrogen 2.706 N/A ARG 114.A NH1 GLY 303.A O no hydrogen 3.159 N/A ARG 114.A NH2 PRO 105.A O no hydrogen 2.860 N/A GLY 115.A N GLN 111.A O no hydrogen 2.899 N/A SER 116.A N LEU 112.A O no hydrogen 2.930 N/A SER 116.A OG GLU 113.A O no hydrogen 2.531 N/A TRP 118.A N SER 116.A O no hydrogen 3.224 N/A LEU 121.A N LEU 117.A O no hydrogen 2.865 N/A ASN 122.A N TRP 118.A O no hydrogen 2.987 N/A TYR 123.A N HIS 119.A O no hydrogen 3.037 N/A TRP 124.A N ASN 120.A O no hydrogen 3.122 N/A GLN 125.A N LEU 121.A O no hydrogen 2.986 N/A LEU 126.A N ASN 122.A O no hydrogen 3.061 N/A LEU 127.A N TYR 123.A O no hydrogen 2.979 N/A ARG 128.A N TRP 124.A O no hydrogen 2.824 N/A ARG 128.A NH1 LYS 166.A O no hydrogen 2.643 N/A ARG 128.A NH1 GLY 171.A O no hydrogen 2.948 N/A ARG 128.A NH2 GLY 171.A O no hydrogen 2.745 N/A ARG 129.A N GLN 125.A O no hydrogen 2.989 N/A GLU 130.A N LEU 127.A O no hydrogen 2.882 N/A LYS 131.A N LEU 126.A O no hydrogen 2.705 N/A LYS 136.A NZ GLU 1.A OE1 no hydrogen 3.015 N/A LYS 136.A NZ GLU 1.A OE2 no hydrogen 3.527 N/A SER 137.A N THR 140.A O no hydrogen 2.751 N/A THR 140.A N SER 137.A O no hydrogen 2.885 N/A LEU 142.A N HIS 135.A O no hydrogen 2.819 N/A ASP 143.A N ARG 415.A O no hydrogen 2.722 N/A GLN 145.A NE2 GLY 420.A O no hydrogen 3.661 N/A ARG 147.A N ASN 144.A O no hydrogen 2.988 N/A ARG 147.A NH1 GLU 170.A OE1 no hydrogen 3.006 N/A ARG 147.A NH2 GLU 170.A OE2 no hydrogen 2.664 N/A SER 150.A N LEU 258.A O no hydrogen 2.872 N/A SER 150.A OG THR 256.A O no hydrogen 3.255 N/A THR 151.A OG1 ARG 147.A O no hydrogen 3.493 N/A THR 151.A OG1 PHE 149.A O no hydrogen 2.982 N/A THR 151.A OG1 ASN 163.A OD1 no hydrogen 2.817 N/A CYS 152.A SG LYS 153.A O no hydrogen 3.457 N/A LYS 153.A N ASP 292.A O no hydrogen 2.905 N/A LYS 153.A NZ SER 87.A OG no hydrogen 3.320 N/A LYS 153.A NZ ASP 310.A OD1 no hydrogen 2.892 N/A VAL 154.A N SER 161.A O no hydrogen 2.817 N/A GLY 156.A N ASP 160.A OD1 no hydrogen 2.901 N/A ARG 159.A NE ASP 82.A OD1 no hydrogen 2.606 N/A ARG 159.A NH2 ASP 82.A OD1 no hydrogen 3.503 N/A ARG 159.A NH2 ASP 82.A OD2 no hydrogen 3.098 N/A ASP 160.A N LEU 81.A O no hydrogen 2.947 N/A SER 161.A N VAL 154.A O no hydrogen 2.965 N/A TYR 164.A N SER 150.A O no hydrogen 2.830 N/A TYR 164.A OH GLN 255.A OE1 no hydrogen 3.142 N/A THR 167.A N GLU 170.A OE1 no hydrogen 2.933 N/A GLU 168.A N ARG 128.A O no hydrogen 2.830 N/A GLU 170.A N THR 167.A O no hydrogen 3.017 N/A GLY 171.A N THR 167.A O no hydrogen 3.153 N/A CYS 173.A SG PRO 174.A O no hydrogen 3.481 N/A THR 175.A OG1 ASP 189.A OD2 no hydrogen 2.488 N/A HIS 176.A NE2 LYS 253.A O no hydrogen 2.806 N/A ILE 177.A N PHE 188.A O no hydrogen 3.173 N/A ALA 178.A N PHE 259.A O no hydrogen 3.234 N/A VAL 179.A N PHE 186.A O no hydrogen 2.699 N/A LEU 180.A N TYR 261.A O no hydrogen 2.863 N/A CYS 181.A N ARG 184.A O no hydrogen 2.969 N/A ARG 182.A NE CYS 213.A O no hydrogen 3.382 N/A ARG 182.A NH2 GLU 216.A O no hydrogen 2.742 N/A ARG 184.A N CYS 181.A O no hydrogen 2.871 N/A ARG 184.A NE GLU 349.A OE2 no hydrogen 2.839 N/A ARG 184.A NH1 GLU 216.A OE1 no hydrogen 2.939 N/A ARG 184.A NH2 GLU 349.A OE1 no hydrogen 2.907 N/A ARG 184.A NH2 GLU 349.A OE2 no hydrogen 3.498 N/A PHE 186.A N VAL 179.A O no hydrogen 2.831 N/A VAL 187.A N GLU 348.A O no hydrogen 2.842 N/A PHE 188.A N ILE 177.A O no hydrogen 3.367 N/A VAL 190.A N THR 175.A O no hydrogen 2.805 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 2.668 N/A HIS 192.A N CYS 195.A O no hydrogen 2.832 N/A CYS 195.A N HIS 192.A O no hydrogen 3.212 N/A CYS 195.A SG HIS 192.A O no hydrogen 3.526 N/A ILE 197.A N VAL 190.A O no hydrogen 3.022 N/A THR 198.A N GLU 201.A OE1 no hydrogen 2.881 N/A LEU 202.A N THR 198.A O no hydrogen 2.734 N/A LEU 203.A N PRO 199.A O no hydrogen 2.669 N/A ARG 204.A N PRO 200.A O no hydrogen 3.100 N/A ARG 204.A NH1 ILE 344.A O no hydrogen 3.427 N/A ARG 204.A NH2 ILE 344.A O no hydrogen 2.653 N/A GLN 205.A N GLU 201.A O no hydrogen 3.239 N/A LEU 206.A N LEU 202.A O no hydrogen 3.062 N/A THR 207.A N LEU 203.A O no hydrogen 2.855 N/A THR 207.A OG1 LEU 203.A O no hydrogen 2.741 N/A TYR 208.A N ARG 204.A O no hydrogen 2.912 N/A ILE 209.A N GLN 205.A O no hydrogen 3.044 N/A HIS 210.A N LEU 206.A O no hydrogen 2.768 N/A LYS 211.A N THR 207.A O no hydrogen 2.863 N/A LYS 212.A N TYR 208.A O no hydrogen 3.019 N/A CYS 213.A N ILE 209.A O no hydrogen 3.170 N/A CYS 213.A SG CYS 181.A O no hydrogen 3.999 N/A CYS 213.A SG ILE 209.A O no hydrogen 3.426 N/A SER 214.A N HIS 210.A O no hydrogen 2.916 N/A SER 214.A OG LYS 211.A O no hydrogen 2.983 N/A GLU 216.A N CYS 213.A O no hydrogen 3.076 N/A GLY 219.A N ARG 182.A O no hydrogen 2.793 N/A SER 221.A N GLY 183.A O no hydrogen 2.983 N/A SER 221.A OG GLY 219.A O no hydrogen 3.086 N/A ALA 224.A N SER 221.A O no hydrogen 3.093 N/A LEU 225.A N ILE 222.A O no hydrogen 2.985 N/A THR 226.A N ALA 223.A O no hydrogen 2.894 N/A THR 226.A OG1 GLN 88.A OE1 no hydrogen 3.046 N/A THR 226.A OG1 ALA 223.A O no hydrogen 2.661 N/A THR 226.A OG1 ARG 289.A O no hydrogen 3.233 N/A SER 227.A N ALA 224.A O no hydrogen 3.179 N/A SER 227.A OG ALA 224.A O no hydrogen 2.935 N/A GLU 228.A N LEU 225.A O no hydrogen 3.286 N/A GLU 229.A N GLU 228.A OE1 no hydrogen 2.876 N/A ARG 230.A N ARG 84.A O no hydrogen 2.875 N/A ARG 230.A NE ASP 160.A OD2 no hydrogen 2.613 N/A ARG 230.A NH1 ASP 292.A OD1 no hydrogen 3.023 N/A ARG 230.A NH2 ASP 160.A OD2 no hydrogen 2.886 N/A ARG 230.A NH2 ASP 292.A OD1 no hydrogen 2.943 N/A THR 231.A OG1 ILE 157.A O no hydrogen 2.850 N/A ARG 232.A N GLU 229.A OE1 no hydrogen 2.849 N/A ARG 232.A NE GLU 228.A OE2 no hydrogen 3.428 N/A TRP 233.A N GLU 229.A O no hydrogen 3.077 N/A TRP 233.A NE1 ASP 292.A OD2 no hydrogen 2.580 N/A ALA 234.A N ARG 230.A O no hydrogen 2.988 N/A LYS 235.A N THR 231.A O no hydrogen 3.010 N/A ALA 236.A N ARG 232.A O no hydrogen 2.940 N/A ARG 237.A N TRP 233.A O no hydrogen 2.784 N/A GLU 238.A N ALA 234.A O no hydrogen 3.059 N/A TYR 239.A N LYS 235.A O no hydrogen 2.938 N/A TYR 239.A OH ASP 355.A OD2 no hydrogen 2.617 N/A LEU 240.A N ALA 236.A O no hydrogen 2.852 N/A ILE 241.A N ARG 237.A O no hydrogen 3.076 N/A SER 242.A N GLU 238.A O no hydrogen 2.957 N/A SER 242.A OG TYR 239.A O no hydrogen 2.526 N/A LEU 243.A N TYR 239.A O no hydrogen 3.154 N/A LEU 243.A N LEU 240.A O no hydrogen 3.214 N/A ASP 244.A N ILE 241.A O no hydrogen 3.210 N/A GLU 246.A N ASP 244.A OD1 no hydrogen 2.925 N/A ASN 247.A N ASP 244.A O no hydrogen 2.716 N/A ASN 247.A ND2 LEU 240.A O no hydrogen 2.840 N/A ASN 247.A ND2 THR 353.A O no hydrogen 2.978 N/A LEU 248.A N PRO 245.A O no hydrogen 2.882 N/A LEU 250.A N GLU 246.A O no hydrogen 3.021 N/A LEU 251.A N ASN 247.A O no hydrogen 2.960 N/A GLU 252.A N LEU 248.A O no hydrogen 2.821 N/A LYS 253.A N THR 249.A O no hydrogen 3.020 N/A ILE 254.A N LEU 250.A O no hydrogen 3.201 N/A GLN 255.A N LEU 251.A O no hydrogen 2.863 N/A THR 256.A N GLU 252.A O no hydrogen 2.786 N/A THR 256.A OG1 GLU 252.A O no hydrogen 2.988 N/A THR 256.A OG1 LYS 253.A O no hydrogen 3.395 N/A SER 257.A N ILE 254.A O no hydrogen 3.309 N/A SER 257.A OG ILE 254.A O no hydrogen 2.769 N/A SER 257.A OG PHE 259.A O no hydrogen 3.346 N/A LEU 258.A N HIS 176.A O no hydrogen 2.777 N/A VAL 260.A N TYR 295.A O no hydrogen 3.369 N/A TYR 261.A N ALA 178.A O no hydrogen 2.761 N/A SER 262.A N LEU 297.A O no hydrogen 2.810 N/A SER 262.A OG VAL 288.A O no hydrogen 2.561 N/A ILE 263.A N LEU 180.A O no hydrogen 2.970 N/A GLU 264.A N SER 299.A O no hydrogen 2.828 N/A SER 267.A OG GLU 108.A OE2 no hydrogen 2.939 N/A THR 271.A N GLU 274.A O no hydrogen 2.998 N/A THR 271.A OG1 GLU 274.A O no hydrogen 3.306 N/A GLU 274.A N THR 271.A OG1 no hydrogen 2.994 N/A SER 276.A N GLU 274.A OE2 no hydrogen 3.147 N/A SER 276.A OG GLU 274.A OE2 no hydrogen 2.543 N/A VAL 278.A N TYR 275.A O no hydrogen 2.949 N/A GLU 280.A N SER 276.A O no hydrogen 3.210 N/A LEU 282.A N PHE 279.A O no hydrogen 3.013 N/A GLY 283.A N GLU 280.A O no hydrogen 2.797 N/A ASP 285.A N GLU 264.A OE2 no hydrogen 3.108 N/A SER 287.A N ASP 285.A OD1 no hydrogen 2.835 N/A SER 287.A OG ASP 285.A OD1 no hydrogen 2.445 N/A VAL 288.A N ASP 285.A O no hydrogen 3.075 N/A ARG 289.A N PRO 286.A O no hydrogen 3.312 N/A ARG 289.A NE GLU 264.A OE2 no hydrogen 2.861 N/A ARG 289.A NH1 LEU 281.A O no hydrogen 2.834 N/A ARG 289.A NH2 GLU 264.A OE2 no hydrogen 2.929 N/A TRP 290.A N ASN 296.A OD1 no hydrogen 3.071 N/A GLY 291.A N THR 226.A OG1 no hydrogen 2.940 N/A LYS 293.A N TRP 290.A O no hydrogen 2.883 N/A LYS 293.A NZ ILE 254.A O no hydrogen 3.262 N/A LYS 293.A NZ GLN 255.A O no hydrogen 2.792 N/A LYS 293.A NZ SER 257.A O no hydrogen 2.590 N/A LYS 293.A NZ SER 257.A OG no hydrogen 3.331 N/A SER 294.A N THR 151.A O no hydrogen 3.220 N/A SER 294.A OG LEU 148.A O no hydrogen 3.217 N/A SER 294.A OG THR 151.A O no hydrogen 3.286 N/A TYR 295.A OH ASN 120.A OD1 no hydrogen 2.666 N/A ASN 296.A N CYS 308.A O no hydrogen 2.970 N/A ASN 296.A ND2 VAL 260.A O no hydrogen 2.922 N/A ASN 296.A ND2 SER 262.A OG no hydrogen 2.845 N/A LEU 297.A N VAL 260.A O no hydrogen 2.851 N/A ILE 298.A N GLY 306.A O no hydrogen 2.645 N/A SER 299.A N SER 262.A O no hydrogen 2.810 N/A SER 299.A OG GLN 111.A OE1 no hydrogen 3.180 N/A SER 299.A OG TYR 261.A OH no hydrogen 3.316 N/A PHE 300.A N ILE 304.A O no hydrogen 2.853 N/A ALA 301.A N SER 266.A O no hydrogen 2.914 N/A ASN 302.A ND2 PRO 268.A O no hydrogen 2.819 N/A GLY 303.A N PHE 300.A O no hydrogen 3.177 N/A GLY 306.A N ILE 298.A O no hydrogen 2.991 N/A CYS 307.A N GLY 95.A O no hydrogen 2.765 N/A CYS 307.A SG TYR 295.A OH no hydrogen 3.687 N/A CYS 308.A N ASN 296.A O no hydrogen 2.917 N/A CYS 308.A SG ASN 92.A OD1 no hydrogen 3.672 N/A CYS 309.A N PHE 93.A O no hydrogen 2.843 N/A CYS 309.A SG TYR 314.A OH no hydrogen 3.752 N/A HIS 311.A ND1 HIS 311.A O no hydrogen 2.627 N/A ALA 312.A N ASP 310.A OD1 no hydrogen 3.077 N/A TYR 314.A OH SER 294.A O no hydrogen 2.612 N/A ASP 315.A N GLN 145.A OE1 no hydrogen 2.879 N/A ILE 320.A N VAL 317.A O no hydrogen 3.115 N/A HIS 322.A N VAL 318.A O no hydrogen 2.841 N/A TYR 323.A N ASN 319.A O no hydrogen 2.899 N/A VAL 324.A N ILE 320.A O no hydrogen 2.893 N/A ASP 325.A N ALA 321.A O no hydrogen 2.991 N/A GLU 326.A N HIS 322.A O no hydrogen 2.886 N/A ARG 327.A N TYR 323.A O no hydrogen 3.072 N/A ARG 327.A NE GLU 330.A OE1 no hydrogen 2.966 N/A ARG 327.A NH2 GLU 330.A OE1 no hydrogen 2.538 N/A VAL 328.A N VAL 324.A O no hydrogen 2.865 N/A LEU 329.A N ASP 325.A O no hydrogen 3.062 N/A GLU 330.A N GLU 326.A O no hydrogen 2.872 N/A THR 331.A N ARG 327.A O no hydrogen 3.049 N/A THR 331.A OG1 ARG 327.A O no hydrogen 2.769 N/A THR 331.A OG1 VAL 328.A O no hydrogen 3.321 N/A GLU 332.A N LEU 329.A O no hydrogen 3.261 N/A GLY 333.A N VAL 328.A O no hydrogen 2.686 N/A ARG 334.A N THR 331.A O no hydrogen 2.976 N/A TRP 335.A NE1 SER 338.A O no hydrogen 2.806 N/A LYS 336.A NZ GLU 332.A OE2 no hydrogen 3.269 N/A LYS 340.A N SER 338.A OG no hydrogen 3.010 N/A ARG 342.A N GLU 201.A OE2 no hydrogen 3.000 N/A ARG 342.A NE GLU 201.A OE2 no hydrogen 2.855 N/A ARG 342.A NH2 GLU 201.A OE1 no hydrogen 2.995 N/A ILE 344.A N ARG 342.A O no hydrogen 2.956 N/A GLU 348.A N VAL 187.A O no hydrogen 2.821 N/A LEU 350.A N ALA 185.A O no hydrogen 2.709 N/A THR 353.A N ASN 247.A OD1 no hydrogen 2.895 N/A THR 353.A OG1 ASP 244.A OD2 no hydrogen 2.701 N/A LYS 357.A NZ ASP 361.A OD2 no hydrogen 2.779 N/A ILE 358.A N ASP 355.A OD1 no hydrogen 2.906 N/A LEU 359.A N ASP 355.A O no hydrogen 3.171 N/A ASN 360.A N GLU 356.A O no hydrogen 3.072 N/A ASP 361.A N LYS 357.A O no hydrogen 2.951 N/A VAL 362.A N ILE 358.A O no hydrogen 2.866 N/A SER 363.A N LEU 359.A O no hydrogen 2.973 N/A GLN 364.A N ASN 360.A O no hydrogen 2.931 N/A ALA 365.A N ASP 361.A O no hydrogen 2.733 N/A LYS 366.A N VAL 362.A O no hydrogen 2.991 N/A LYS 366.A NZ SER 221.A OG no hydrogen 2.869 N/A ALA 367.A N SER 363.A O no hydrogen 3.155 N/A GLN 368.A N GLN 364.A O no hydrogen 3.059 N/A GLN 368.A NE2 SER 227.A O no hydrogen 2.885 N/A GLN 368.A NE2 ALA 365.A O no hydrogen 2.905 N/A HIS 369.A N ALA 365.A O no hydrogen 3.148 N/A LEU 370.A N LYS 366.A O no hydrogen 2.932 N/A LYS 371.A N ALA 367.A O no hydrogen 2.935 N/A ALA 372.A N GLN 368.A O no hydrogen 2.949 N/A ALA 373.A N HIS 369.A O no hydrogen 2.812 N/A SER 374.A N LEU 370.A O no hydrogen 3.010 N/A SER 374.A N LYS 371.A O no hydrogen 3.204 N/A SER 374.A OG LYS 371.A O no hydrogen 2.596 N/A ASP 375.A N ALA 372.A O no hydrogen 3.143 N/A LEU 376.A N ALA 373.A O no hydrogen 3.069 N/A GLN 377.A N SER 545.A O no hydrogen 2.832 N/A GLN 377.A NE2 ASP 553.A OD1 no hydrogen 3.478 N/A ALA 379.A N CYS 543.A O no hydrogen 2.783 N/A SER 381.A N VAL 541.A O no hydrogen 3.137 N/A PHE 383.A N PHE 539.A O no hydrogen 2.684 N/A THR 389.A OG1 ASN 459.A OD1 no hydrogen 2.666 N/A PHE 390.A N HIS 386.A O no hydrogen 2.991 N/A ILE 391.A N PRO 387.A O no hydrogen 2.925 N/A GLN 392.A N ASP 388.A O no hydrogen 2.912 N/A GLN 392.A NE2 THR 509.A OG1 no hydrogen 2.972 N/A GLN 392.A NE2 TYR 532.A OH no hydrogen 2.920 N/A LEU 393.A N THR 389.A O no hydrogen 2.926 N/A ALA 394.A N PHE 390.A O no hydrogen 2.980 N/A LEU 395.A N ILE 391.A O no hydrogen 2.936 N/A GLN 396.A N GLN 392.A O no hydrogen 3.022 N/A GLN 396.A NE2 GLY 407.A O no hydrogen 3.349 N/A LEU 397.A N LEU 393.A O no hydrogen 2.918 N/A ALA 398.A N ALA 394.A O no hydrogen 2.820 N/A TYR 399.A N LEU 395.A O no hydrogen 2.912 N/A TYR 400.A N GLN 396.A O no hydrogen 2.933 N/A ARG 401.A N LEU 397.A O no hydrogen 2.826 N/A ARG 401.A NH1 ASP 566.A OD2 no hydrogen 2.729 N/A ARG 401.A NH2 ASP 566.A OD2 no hydrogen 2.937 N/A LEU 402.A N ALA 398.A O no hydrogen 2.850 N/A HIS 403.A N TYR 399.A O no hydrogen 2.792 N/A HIS 403.A NE2 TYR 528.A OH no hydrogen 2.779 N/A CYS 408.A SG ASN 504.A O no hydrogen 3.426 N/A CYS 409.A SG GLN 392.A OE1 no hydrogen 3.639 N/A CYS 409.A SG TYR 410.A O no hydrogen 3.754 N/A CYS 409.A SG SER 427.A OG no hydrogen 3.701 N/A CYS 409.A SG LEU 507.A O no hydrogen 3.902 N/A TYR 410.A N LEU 507.A O no hydrogen 2.784 N/A GLU 411.A N VAL 425.A O no hydrogen 2.949 N/A THR 412.A N THR 509.A O no hydrogen 3.105 N/A THR 412.A OG1 THR 509.A O no hydrogen 3.560 N/A ALA 413.A N GLU 423.A O no hydrogen 2.981 N/A ARG 415.A NE ASP 143.A O no hydrogen 3.054 N/A ARG 415.A NH1 HIS 135.A ND1 no hydrogen 3.448 N/A ARG 415.A NH2 HIS 135.A ND1 no hydrogen 2.795 N/A ARG 415.A NH2 ASP 143.A O no hydrogen 3.073 N/A PHE 417.A N THR 414.A O no hydrogen 3.167 N/A TYR 418.A N PRO 11.A O no hydrogen 2.899 N/A HIS 419.A N ASP 143.A OD1 no hydrogen 2.749 N/A HIS 419.A ND1 GLU 72.A OE1 no hydrogen 2.980 N/A HIS 419.A ND1 GLU 72.A OE2 no hydrogen 2.658 N/A GLY 420.A N PHE 417.A O no hydrogen 2.831 N/A ARG 421.A NE ASP 315.A OD2 no hydrogen 3.183 N/A ARG 421.A NH1 ALA 312.A O no hydrogen 2.701 N/A ARG 421.A NH2 HIS 311.A O no hydrogen 3.040 N/A ARG 421.A NH2 ALA 312.A O no hydrogen 3.371 N/A ARG 421.A NH2 ASP 315.A OD1 no hydrogen 3.000 N/A GLU 423.A N ALA 413.A O no hydrogen 2.793 N/A THR 424.A N GLU 423.A OE2 no hydrogen 2.971 N/A VAL 425.A N GLU 411.A O no hydrogen 2.970 N/A ARG 426.A NE ASP 470.A OD1 no hydrogen 3.384 N/A ARG 426.A NE ASP 470.A OD2 no hydrogen 3.023 N/A ARG 426.A NH1 SER 499.A OG no hydrogen 3.012 N/A ARG 426.A NH2 ASP 470.A OD1 no hydrogen 2.804 N/A SER 427.A OG GLN 392.A OE1 no hydrogen 2.539 N/A CYS 428.A SG GLN 396.A OE1 no hydrogen 3.486 N/A THR 429.A N SER 427.A O no hydrogen 2.899 N/A THR 429.A OG1 GLU 431.A OE1 no hydrogen 3.412 N/A GLU 431.A N GLU 431.A OE1 no hydrogen 2.764 N/A ALA 432.A N THR 429.A OG1 no hydrogen 2.966 N/A VAL 433.A N THR 429.A O no hydrogen 3.096 N/A ARG 434.A N VAL 430.A O no hydrogen 2.890 N/A TRP 435.A N GLU 431.A O no hydrogen 3.014 N/A CYS 436.A N ALA 432.A O no hydrogen 2.908 N/A CYS 436.A SG ALA 432.A O no hydrogen 3.246 N/A GLN 437.A N VAL 433.A O no hydrogen 2.903 N/A SER 438.A N ARG 434.A O no hydrogen 3.085 N/A SER 438.A OG TRP 435.A O no hydrogen 2.494 N/A ASP 440.A N SER 438.A O no hydrogen 3.119 N/A SER 442.A N ASP 440.A OD1 no hydrogen 2.962 N/A SER 442.A OG ASP 440.A OD1 no hydrogen 2.750 N/A SER 442.A OG ASP 440.A OD2 no hydrogen 3.233 N/A ALA 443.A N ASP 440.A O no hydrogen 2.919 N/A GLU 447.A N SER 444.A OG no hydrogen 3.051 N/A ARG 448.A N SER 444.A O no hydrogen 3.038 N/A ARG 448.A NE SER 438.A O no hydrogen 2.865 N/A ARG 448.A NH2 ASP 440.A O no hydrogen 2.754 N/A GLN 449.A N LEU 445.A O no hydrogen 2.971 N/A GLN 450.A N LEU 446.A O no hydrogen 2.887 N/A LYS 451.A N GLU 447.A O no hydrogen 2.856 N/A LYS 451.A NZ GLU 447.A OE2 no hydrogen 2.786 N/A GLU 453.A N GLN 450.A O no hydrogen 3.027 N/A ALA 454.A N LYS 451.A O no hydrogen 3.034 N/A ALA 456.A N LEU 452.A O no hydrogen 2.966 N/A LYS 457.A N GLU 453.A O no hydrogen 3.080 N/A HIS 458.A N ALA 454.A O no hydrogen 3.020 N/A ASN 459.A N PHE 455.A O no hydrogen 2.808 N/A LYS 460.A N ALA 456.A O no hydrogen 3.081 N/A LYS 460.A NZ ASP 462.A OD1 no hydrogen 2.866 N/A ASP 462.A N LYS 460.A O no hydrogen 2.929 N/A CYS 463.A SG THR 424.A O no hydrogen 3.430 N/A SER 464.A OG LYS 461.A O no hydrogen 3.033 N/A SER 464.A OG HIS 465.A ND1 no hydrogen 3.234 N/A HIS 465.A N LYS 461.A O no hydrogen 3.012 N/A HIS 465.A N ASP 462.A O no hydrogen 3.009 N/A HIS 465.A ND1 SER 464.A OG no hydrogen 3.234 N/A GLY 466.A N CYS 463.A O no hydrogen 2.940 N/A LYS 467.A N ASP 462.A O no hydrogen 2.690 N/A ARG 471.A N GLU 423.A OE2 no hydrogen 3.092 N/A ARG 471.A NH1 THR 424.A OG1 no hydrogen 2.836 N/A ARG 471.A NH2 TYR 410.A OH no hydrogen 2.890 N/A ARG 471.A NH2 THR 422.A OG1 no hydrogen 3.039 N/A HIS 472.A ND1 SER 21.A OG no hydrogen 2.685 N/A HIS 472.A NE2 HIS 57.A ND1 no hydrogen 3.051 N/A LEU 473.A N PHE 469.A O no hydrogen 2.947 N/A LEU 474.A N ASP 470.A O no hydrogen 3.120 N/A GLY 475.A N ARG 471.A O no hydrogen 2.807 N/A LEU 476.A N HIS 472.A O no hydrogen 3.049 N/A LEU 477.A N LEU 473.A O no hydrogen 3.035 N/A LEU 478.A N LEU 474.A O no hydrogen 2.889 N/A ILE 479.A N GLY 475.A O no hydrogen 2.959 N/A ALA 480.A N LEU 476.A O no hydrogen 3.331 N/A LYS 481.A N LEU 477.A O no hydrogen 3.055 N/A GLU 482.A N LEU 478.A O no hydrogen 2.929 N/A GLU 483.A N ALA 480.A O no hydrogen 3.073 N/A GLY 484.A N LYS 481.A O no hydrogen 2.862 N/A LEU 485.A N ALA 480.A O no hydrogen 2.883 N/A PHE 491.A N PRO 488.A O no hydrogen 3.225 N/A GLU 492.A N GLU 489.A O no hydrogen 2.980 N/A ASP 493.A N GLU 489.A O no hydrogen 3.175 N/A LEU 495.A N ASP 493.A OD1 no hydrogen 3.025 N/A PHE 496.A N ASP 493.A O no hydrogen 3.026 N/A SER 497.A OG PRO 494.A O no hydrogen 3.344 N/A ARG 498.A N PRO 494.A O no hydrogen 3.028 N/A ARG 498.A NH1 PHE 32.A O no hydrogen 2.757 N/A ARG 498.A NH1 GLU 37.A OE1 no hydrogen 3.007 N/A ARG 498.A NH1 GLU 37.A OE2 no hydrogen 3.204 N/A ARG 498.A NH2 GLU 37.A OE2 no hydrogen 2.961 N/A SER 499.A N LEU 495.A O no hydrogen 3.003 N/A SER 499.A OG LEU 495.A O no hydrogen 2.895 N/A SER 499.A OG PHE 496.A O no hydrogen 3.071 N/A GLY 500.A N SER 497.A O no hydrogen 3.092 N/A ASN 504.A N GLY 500.A O no hydrogen 2.830 N/A ASN 504.A ND2 GLY 501.A O no hydrogen 3.058 N/A LEU 507.A N CYS 408.A O no hydrogen 3.243 N/A SER 508.A N TYR 528.A O no hydrogen 2.987 N/A THR 509.A N TYR 410.A O no hydrogen 2.743 N/A THR 509.A OG1 TYR 410.A O no hydrogen 2.856 N/A SER 510.A N PHE 530.A O no hydrogen 3.377 N/A SER 510.A OG LEU 511.A O no hydrogen 2.970 N/A VAL 512.A N TYR 532.A O no hydrogen 2.724 N/A ARG 516.A NE ASP 325.A OD2 no hydrogen 3.236 N/A ARG 516.A NH2 ASP 325.A OD2 no hydrogen 2.893 N/A GLN 518.A NE2 GLY 519.A O no hydrogen 2.963 N/A VAL 520.A N VAL 94.A O no hydrogen 3.114 N/A GLY 527.A N VAL 524.A O no hydrogen 2.847 N/A TYR 528.A N VAL 506.A O no hydrogen 2.640 N/A TYR 528.A OH HIS 403.A NE2 no hydrogen 2.779 N/A GLY 529.A N SER 544.A O no hydrogen 2.928 N/A PHE 530.A N SER 508.A O no hydrogen 2.811 N/A PHE 531.A N ALA 542.A O no hydrogen 2.878 N/A TYR 532.A N SER 510.A O no hydrogen 3.354 N/A TYR 532.A OH ASP 388.A OD1 no hydrogen 2.580 N/A HIS 533.A N VAL 540.A O no hydrogen 2.949 N/A ILE 534.A N GLY 513.A O no hydrogen 3.112 N/A ARG 535.A N ARG 538.A O no hydrogen 2.951 N/A ARG 535.A NH1 GLU 101.A OE1 no hydrogen 2.829 N/A ARG 535.A NH1 GLU 101.A OE2 no hydrogen 3.368 N/A ARG 535.A NH2 GLU 101.A OE2 no hydrogen 2.694 N/A ARG 538.A N ARG 535.A O no hydrogen 3.384 N/A PHE 539.A N PHE 383.A O no hydrogen 2.793 N/A VAL 540.A N HIS 533.A O no hydrogen 3.091 N/A VAL 541.A N SER 381.A O no hydrogen 2.970 N/A ALA 542.A N PHE 531.A O no hydrogen 2.784 N/A CYS 543.A N ALA 379.A O no hydrogen 2.719 N/A CYS 543.A SG GLY 529.A O no hydrogen 3.362 N/A CYS 543.A SG ALA 554.A O no hydrogen 3.968 N/A SER 544.A N GLY 529.A O no hydrogen 2.811 N/A SER 544.A OG VAL 521.A O no hydrogen 2.858 N/A SER 545.A N GLN 377.A O no hydrogen 2.996 N/A ARG 547.A N ASP 375.A O no hydrogen 2.780 N/A SER 548.A N ASP 375.A OD2 no hydrogen 3.278 N/A SER 548.A OG ASP 375.A OD2 no hydrogen 2.513 N/A CYS 549.A N TRP 546.A O no hydrogen 3.062 N/A CYS 549.A SG GLU 551.A OE1 no hydrogen 3.813 N/A CYS 549.A SG THR 552.A OG1 no hydrogen 3.679 N/A THR 552.A N CYS 549.A O no hydrogen 3.324 N/A THR 552.A OG1 CYS 549.A O no hydrogen 3.291 N/A ASP 553.A N TYR 528.A OH no hydrogen 2.999 N/A ALA 554.A N GLN 377.A OE1 no hydrogen 2.823 N/A ALA 554.A N SER 545.A OG no hydrogen 3.059 N/A LYS 556.A N ASP 553.A OD1 no hydrogen 3.065 N/A LEU 557.A N ASP 553.A O no hydrogen 3.037 N/A VAL 558.A N ALA 554.A O no hydrogen 3.113 N/A GLN 559.A N GLU 555.A O no hydrogen 2.960 N/A PHE 561.A N VAL 558.A O no hydrogen 3.057 N/A HIS 562.A N GLN 559.A O no hydrogen 3.177 N/A PHE 564.A N ILE 560.A O no hydrogen 2.727 N/A HIS 565.A N PHE 561.A O no hydrogen 2.958 N/A ASP 566.A N HIS 562.A O no hydrogen 2.884 N/A GLN 568.A N HIS 565.A O no hydrogen 2.855 N/A LEU 569.A N ASP 566.A O no hydrogen 2.832 N/A THR 571.A N GLN 568.A O no hydrogen 2.793 N/A THR 571.A OG1 GLN 568.A O no hydrogen 2.762 N/A ALA 572.A N LEU 569.A O no hydrogen 2.815 N/A