Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pvu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASN 160.A O no hydrogen 3.551 N/A ILE 10.A N GLU 7.A O no hydrogen 3.103 N/A ARG 11.A N PRO 8.A O no hydrogen 3.046 N/A ARG 11.A NE GLN 15.A OE1 no hydrogen 2.781 N/A ARG 11.A NH1 THR 143.A OG1 no hydrogen 3.287 N/A ARG 11.A NH2 GLN 15.A OE1 no hydrogen 3.282 N/A ARG 11.A NH2 ILE 137.A O no hydrogen 2.454 N/A SER 12.A N SER 9.A O no hydrogen 3.283 N/A SER 12.A OG HIS 509.A O no hydrogen 3.350 N/A MET 14.A N ILE 10.A O no hydrogen 2.785 N/A GLN 15.A N ARG 11.A O no hydrogen 2.805 N/A TYR 17.A N VAL 13.A O no hydrogen 3.139 N/A LEU 18.A N MET 14.A O no hydrogen 2.938 N/A GLU 19.A N GLN 15.A O no hydrogen 2.788 N/A ASP 20.A N LYS 16.A O no hydrogen 2.893 N/A ARG 21.A N LEU 18.A O no hydrogen 2.944 N/A ARG 21.A NH1 TYR 17.A O no hydrogen 3.219 N/A GLY 22.A N GLU 19.A O no hydrogen 3.070 N/A GLU 23.A N LEU 18.A O no hydrogen 2.987 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.693 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.158 N/A ILE 29.A N THR 25.A O no hydrogen 3.164 N/A PHE 30.A N PHE 26.A O no hydrogen 2.709 N/A SER 31.A N GLU 27.A O no hydrogen 3.086 N/A SER 31.A OG GLU 27.A O no hydrogen 2.584 N/A SER 31.A OG LYS 28.A O no hydrogen 3.524 N/A GLN 32.A N ILE 29.A O no hydrogen 3.032 N/A GLN 32.A NE2 LYS 28.A O no hydrogen 2.656 N/A LYS 33.A NZ GLN 466.A OE1 no hydrogen 2.350 N/A LEU 34.A N GLN 465.A OE1 no hydrogen 2.995 N/A TYR 36.A N GLN 32.A O no hydrogen 2.669 N/A TYR 36.A OH GLU 58.A OE1 no hydrogen 2.936 N/A LEU 37.A N LYS 33.A O no hydrogen 2.813 N/A LEU 38.A N LEU 34.A O no hydrogen 3.002 N/A PHE 39.A N GLY 35.A O no hydrogen 2.900 N/A ARG 40.A N TYR 36.A O no hydrogen 2.891 N/A ARG 40.A NE GLU 58.A OE1 no hydrogen 2.642 N/A ASP 41.A N LEU 37.A O no hydrogen 3.221 N/A PHE 42.A N LEU 38.A O no hydrogen 3.022 N/A CYS 43.A N PHE 39.A O no hydrogen 3.116 N/A CYS 43.A SG PHE 39.A O no hydrogen 3.339 N/A LEU 44.A N ARG 40.A O no hydrogen 2.860 N/A LYS 45.A NZ ASP 41.A OD1 no hydrogen 2.970 N/A HIS 46.A N PHE 42.A O no hydrogen 3.005 N/A ALA 50.A N LEU 47.A O no hydrogen 3.282 N/A LYS 51.A N LEU 47.A O no hydrogen 3.358 N/A VAL 54.A N ALA 50.A O no hydrogen 3.164 N/A GLU 55.A N LYS 51.A O no hydrogen 2.882 N/A PHE 56.A N PRO 52.A O no hydrogen 2.894 N/A TYR 57.A N LEU 53.A O no hydrogen 2.828 N/A GLU 58.A N VAL 54.A O no hydrogen 2.920 N/A GLU 59.A N GLU 55.A O no hydrogen 3.085 N/A ILE 60.A N PHE 56.A O no hydrogen 3.044 N/A LYS 61.A N TYR 57.A O no hydrogen 3.013 N/A LYS 61.A NZ GLU 64.A OE1 no hydrogen 3.416 N/A LYS 61.A NZ GLU 64.A OE2 no hydrogen 3.243 N/A LYS 62.A N GLU 58.A O no hydrogen 2.996 N/A TYR 63.A N GLU 59.A O no hydrogen 2.968 N/A TYR 63.A OH PRO 113.A O no hydrogen 2.913 N/A GLU 64.A N ILE 60.A O no hydrogen 2.781 N/A LYS 65.A N LYS 62.A O no hydrogen 3.207 N/A LYS 65.A NZ LYS 61.A O no hydrogen 2.863 N/A LEU 66.A N TYR 63.A O no hydrogen 3.217 N/A GLU 71.A N THR 68.A OG1 no hydrogen 3.193 N/A ARG 72.A N THR 68.A O no hydrogen 3.353 N/A ARG 72.A NE VAL 112.A O no hydrogen 2.863 N/A ARG 72.A NH2 VAL 112.A O no hydrogen 3.194 N/A LEU 73.A N GLU 69.A O no hydrogen 2.764 N/A VAL 74.A N GLU 70.A O no hydrogen 3.216 N/A CYS 75.A N GLU 71.A O no hydrogen 2.998 N/A SER 76.A N ARG 72.A O no hydrogen 2.925 N/A SER 76.A OG ARG 72.A O no hydrogen 2.696 N/A SER 76.A OG LEU 73.A O no hydrogen 2.784 N/A GLU 78.A N VAL 74.A O no hydrogen 3.268 N/A ILE 79.A N CYS 75.A O no hydrogen 2.968 N/A PHE 80.A N SER 76.A O no hydrogen 2.938 N/A ASP 81.A N ARG 77.A O no hydrogen 3.063 N/A THR 82.A N GLU 78.A O no hydrogen 3.006 N/A THR 82.A OG1 GLU 78.A O no hydrogen 3.083 N/A TYR 83.A N ILE 79.A O no hydrogen 2.832 N/A ILE 84.A N PHE 80.A O no hydrogen 2.968 N/A MET 85.A N PHE 80.A O no hydrogen 2.895 N/A LYS 86.A N ASP 81.A O no hydrogen 3.184 N/A LYS 86.A NZ THR 82.A O no hydrogen 3.103 N/A LEU 88.A N ILE 84.A O no hydrogen 2.898 N/A LEU 89.A N MET 85.A O no hydrogen 2.890 N/A ALA 90.A N LYS 86.A O no hydrogen 2.720 N/A CYS 91.A N LEU 88.A O no hydrogen 3.148 N/A SER 92.A N GLU 87.A O no hydrogen 2.717 N/A SER 92.A OG ALA 90.A O no hydrogen 2.813 N/A HIS 93.A ND1 GLU 87.A OE1 no hydrogen 2.856 N/A HIS 93.A NE2 TYR 120.A OH no hydrogen 3.294 N/A PHE 95.A N HIS 93.A O no hydrogen 2.974 N/A SER 96.A N GLU 123.A OE1 no hydrogen 2.961 N/A SER 96.A OG SER 98.A OG no hydrogen 2.996 N/A SER 96.A OG GLU 123.A OE1 no hydrogen 2.974 N/A SER 96.A OG GLU 123.A OE2 no hydrogen 2.523 N/A SER 98.A OG SER 96.A OG no hydrogen 2.996 N/A ALA 99.A N SER 96.A OG no hydrogen 3.146 N/A ILE 100.A N SER 96.A O no hydrogen 3.113 N/A GLU 101.A N LYS 97.A O no hydrogen 2.919 N/A HIS 102.A N SER 98.A O no hydrogen 2.924 N/A VAL 103.A N ALA 99.A O no hydrogen 3.494 N/A GLN 104.A N ILE 100.A O no hydrogen 3.130 N/A GLY 105.A N GLU 101.A O no hydrogen 2.699 N/A HIS 106.A N HIS 102.A O no hydrogen 3.219 N/A HIS 106.A ND1 HIS 102.A O no hydrogen 2.854 N/A LEU 107.A N VAL 103.A O no hydrogen 2.639 N/A VAL 108.A N GLN 104.A O no hydrogen 3.070 N/A LYS 109.A N HIS 106.A O no hydrogen 3.114 N/A LYS 110.A N LEU 107.A O no hydrogen 3.064 N/A GLN 111.A N HIS 106.A O no hydrogen 3.231 N/A LEU 116.A N PRO 113.A O no hydrogen 3.080 N/A GLN 118.A N ASP 115.A O no hydrogen 3.150 N/A TYR 120.A N PHE 117.A O no hydrogen 2.887 N/A TYR 120.A OH HIS 93.A NE2 no hydrogen 3.294 N/A ILE 121.A N PHE 117.A O no hydrogen 3.141 N/A GLU 122.A N GLN 118.A O no hydrogen 3.153 N/A GLU 123.A N PRO 119.A O no hydrogen 3.210 N/A ILE 124.A N TYR 120.A O no hydrogen 2.836 N/A CYS 125.A N ILE 121.A O no hydrogen 3.032 N/A CYS 125.A SG ILE 121.A O no hydrogen 3.545 N/A GLN 126.A N GLU 122.A O no hydrogen 2.976 N/A ASN 127.A N GLU 123.A O no hydrogen 2.988 N/A ASN 127.A ND2 PRO 94.A O no hydrogen 2.958 N/A LEU 128.A N ILE 124.A O no hydrogen 2.799 N/A LEU 128.A N CYS 125.A O no hydrogen 3.145 N/A ARG 129.A N CYS 125.A O no hydrogen 2.702 N/A ARG 129.A NE GLU 27.A OE2 no hydrogen 3.265 N/A PHE 133.A N LEU 128.A O no hydrogen 3.107 N/A GLN 134.A N GLY 130.A O no hydrogen 2.996 N/A LYS 135.A N ASP 131.A O no hydrogen 2.775 N/A LYS 135.A NZ ASP 131.A OD2 no hydrogen 2.787 N/A PHE 136.A N VAL 132.A O no hydrogen 2.874 N/A ILE 137.A N PHE 133.A O no hydrogen 2.966 N/A GLU 138.A N GLN 134.A O no hydrogen 3.041 N/A SER 139.A N PHE 136.A O no hydrogen 2.932 N/A SER 139.A OG PHE 136.A O no hydrogen 2.823 N/A LYS 141.A N SER 139.A OG no hydrogen 3.211 N/A THR 143.A N SER 139.A O no hydrogen 3.500 N/A THR 143.A OG1 SER 139.A O no hydrogen 3.381 N/A ARG 144.A N ASP 140.A O no hydrogen 2.852 N/A ARG 144.A NE GLN 147.A OE1 no hydrogen 2.819 N/A ARG 144.A NH1 ASN 477.A O no hydrogen 3.382 N/A ARG 144.A NH1 ASN 477.A OD1 no hydrogen 3.401 N/A ARG 144.A NH1 ASP 481.A OD1 no hydrogen 2.761 N/A ARG 144.A NH2 ASP 481.A OD1 no hydrogen 2.661 N/A ARG 144.A NH2 GLU 484.A OE1 no hydrogen 3.511 N/A ARG 144.A NH2 GLU 484.A OE2 no hydrogen 3.553 N/A PHE 145.A N LYS 141.A O no hydrogen 2.931 N/A CYS 146.A N PHE 142.A O no hydrogen 2.919 N/A CYS 146.A SG PHE 142.A O no hydrogen 3.428 N/A GLN 147.A N THR 143.A O no hydrogen 3.009 N/A GLN 147.A NE2 PRO 6.A O no hydrogen 2.752 N/A GLN 147.A NE2 GLU 484.A OE2 no hydrogen 3.311 N/A TRP 148.A N ARG 144.A O no hydrogen 3.056 N/A TRP 148.A NE1 ASN 477.A OD1 no hydrogen 3.049 N/A LYS 149.A N PHE 145.A O no hydrogen 2.849 N/A LYS 149.A NZ GLN 32.A OE1 no hydrogen 2.781 N/A LYS 149.A NZ GLU 152.A OE1 no hydrogen 2.829 N/A ASN 150.A N CYS 146.A O no hydrogen 2.820 N/A ASN 150.A ND2 SER 577.A OG no hydrogen 3.097 N/A GLU 152.A N TRP 148.A O no hydrogen 3.161 N/A LEU 153.A N LYS 149.A O no hydrogen 3.094 N/A ASN 154.A N VAL 151.A O no hydrogen 3.046 N/A ILE 155.A N GLU 152.A O no hydrogen 3.303 N/A THR 158.A N ASP 161.A OD2 no hydrogen 2.757 N/A THR 158.A OG1 ASP 161.A OD2 no hydrogen 2.950 N/A PHE 162.A N MET 159.A O no hydrogen 2.950 N/A HIS 165.A N GLY 178.A O no hydrogen 2.538 N/A ILE 168.A N VAL 176.A O no hydrogen 2.780 N/A GLY 171.A N GLY 174.A O no hydrogen 2.652 N/A GLU 175.A N CYS 192.A O no hydrogen 2.850 N/A VAL 176.A N GLY 169.A O no hydrogen 2.893 N/A TYR 177.A N MET 190.A O no hydrogen 3.043 N/A GLY 178.A N ARG 166.A O no hydrogen 2.810 N/A CYS 179.A N TYR 188.A O no hydrogen 2.999 N/A CYS 179.A SG TYR 188.A O no hydrogen 3.174 N/A ARG 180.A N SER 163.A O no hydrogen 2.771 N/A ARG 180.A NH1 GLY 185.A O no hydrogen 3.190 N/A LYS 181.A N LYS 186.A O no hydrogen 3.136 N/A LYS 181.A NZ TYR 230.A OH no hydrogen 2.604 N/A LYS 181.A NZ GLU 467.A OE2 no hydrogen 3.464 N/A THR 184.A N LYS 181.A O no hydrogen 3.344 N/A THR 184.A OG1 GLU 467.A OE2 no hydrogen 2.529 N/A GLY 185.A N LYS 181.A O no hydrogen 2.678 N/A LYS 186.A N THR 184.A OG1 no hydrogen 3.412 N/A LYS 186.A NZ GLU 470.A OE1 no hydrogen 3.031 N/A TYR 188.A N CYS 179.A O no hydrogen 3.074 N/A TYR 188.A OH GLU 467.A OE1 no hydrogen 2.669 N/A ALA 189.A N LEU 242.A O no hydrogen 2.940 N/A MET 190.A N TYR 177.A O no hydrogen 3.009 N/A LYS 191.A N PHE 240.A O no hydrogen 2.951 N/A LYS 191.A NZ GLU 210.A OE1 no hydrogen 2.986 N/A LYS 191.A NZ GLU 210.A OE2 no hydrogen 3.399 N/A CYS 192.A N GLU 175.A O no hydrogen 2.814 N/A CYS 192.A SG MET 190.A O no hydrogen 3.867 N/A CYS 192.A SG SER 239.A OG no hydrogen 3.671 N/A LEU 193.A N LEU 238.A O no hydrogen 3.156 N/A LYS 195.A N ASP 236.A O no hydrogen 3.490 N/A LYS 196.A N ASP 194.A OD1 no hydrogen 2.784 N/A ILE 198.A N ASP 194.A O no hydrogen 3.051 N/A LYS 199.A N LYS 195.A O no hydrogen 2.595 N/A LYS 199.A NZ ASP 449.A OD1 no hydrogen 3.332 N/A MET 200.A N LYS 196.A O no hydrogen 2.752 N/A LYS 201.A N ARG 197.A O no hydrogen 2.820 N/A LYS 201.A N ILE 198.A O no hydrogen 3.240 N/A GLN 202.A N LYS 199.A O no hydrogen 3.279 N/A GLY 203.A N ILE 198.A O no hydrogen 3.037 N/A ALA 207.A N GLY 203.A O no hydrogen 3.158 N/A LEU 208.A N GLU 204.A O no hydrogen 2.932 N/A ASN 209.A N THR 205.A O no hydrogen 2.940 N/A ASN 209.A ND2 GLY 308.A O no hydrogen 2.821 N/A ASN 209.A ND2 ALA 310.A O no hydrogen 2.951 N/A GLU 210.A N LEU 206.A O no hydrogen 3.311 N/A ARG 211.A NE PHE 456.A O no hydrogen 2.899 N/A ARG 211.A NH1 ARG 211.A O no hydrogen 3.192 N/A ARG 211.A NH2 ASN 455.A O no hydrogen 2.571 N/A ILE 212.A N LEU 208.A O no hydrogen 3.270 N/A MET 213.A N ASN 209.A O no hydrogen 2.851 N/A LEU 214.A N GLU 210.A O no hydrogen 2.716 N/A SER 215.A N ARG 211.A O no hydrogen 3.146 N/A SER 215.A OG ARG 211.A O no hydrogen 2.843 N/A SER 215.A OG ILE 212.A O no hydrogen 2.853 N/A LEU 216.A N ILE 212.A O no hydrogen 3.272 N/A VAL 217.A N LEU 214.A O no hydrogen 3.122 N/A SER 218.A OG LEU 214.A O no hydrogen 2.448 N/A GLY 220.A N GLU 462.A OE2 no hydrogen 3.149 N/A VAL 226.A N ILE 304.A O no hydrogen 2.823 N/A CYS 227.A N ASP 243.A OD2 no hydrogen 3.177 N/A CYS 227.A SG VAL 217.A O no hydrogen 3.624 N/A CYS 227.A SG ILE 225.A O no hydrogen 3.693 N/A MET 228.A N SER 218.A OG no hydrogen 2.926 N/A SER 229.A N ILE 241.A O no hydrogen 2.819 N/A TYR 230.A OH GLU 467.A OE1 no hydrogen 2.820 N/A ALA 231.A N LEU 458.A O no hydrogen 3.073 N/A PHE 232.A N SER 239.A O no hydrogen 3.037 N/A THR 234.A N LYS 237.A O no hydrogen 3.048 N/A THR 234.A OG1 ASP 236.A OD1 no hydrogen 2.697 N/A LYS 237.A N THR 234.A OG1 no hydrogen 3.295 N/A LEU 238.A N LEU 193.A O no hydrogen 3.266 N/A SER 239.A N PHE 232.A O no hydrogen 2.788 N/A PHE 240.A N LYS 191.A O no hydrogen 2.782 N/A ILE 241.A N TYR 230.A O no hydrogen 3.015 N/A LEU 242.A N ALA 189.A O no hydrogen 2.728 N/A ASP 243.A N CYS 227.A O no hydrogen 3.037 N/A ASN 246.A ND2 GLU 298.A OE1 no hydrogen 2.980 N/A GLY 247.A N LEU 296.A O no hydrogen 2.698 N/A LEU 250.A N ILE 294.A O no hydrogen 3.041 N/A HIS 251.A N PRO 291.A O no hydrogen 3.200 N/A TYR 252.A N ASP 249.A OD1 no hydrogen 2.749 N/A HIS 253.A N ASP 249.A O no hydrogen 3.146 N/A HIS 253.A NE2 GLY 247.A O no hydrogen 2.593 N/A LEU 254.A N LEU 250.A O no hydrogen 2.695 N/A SER 255.A N HIS 251.A O no hydrogen 3.060 N/A SER 255.A OG TYR 252.A O no hydrogen 2.858 N/A GLN 256.A N TYR 252.A O no hydrogen 3.158 N/A GLN 256.A N HIS 253.A O no hydrogen 3.188 N/A GLN 256.A NE2 TYR 252.A OH no hydrogen 3.328 N/A HIS 257.A N HIS 253.A O no hydrogen 2.735 N/A HIS 257.A ND1 GLY 258.A O no hydrogen 2.897 N/A GLY 258.A N LEU 254.A O no hydrogen 2.871 N/A PHE 260.A N LEU 355.A O no hydrogen 2.811 N/A ALA 263.A N SER 261.A OG no hydrogen 2.953 N/A MET 265.A N SER 261.A O no hydrogen 2.894 N/A ARG 266.A N GLU 262.A O no hydrogen 3.010 N/A TYR 268.A N ASP 264.A O no hydrogen 3.419 N/A ALA 269.A N MET 265.A O no hydrogen 2.945 N/A ALA 270.A N ARG 266.A O no hydrogen 2.899 N/A GLU 271.A N PHE 267.A O no hydrogen 3.102 N/A ILE 272.A N TYR 268.A O no hydrogen 2.709 N/A ILE 273.A N ALA 269.A O no hydrogen 2.675 N/A LEU 274.A N ALA 270.A O no hydrogen 3.237 N/A GLY 275.A N GLU 271.A O no hydrogen 3.159 N/A GLY 275.A N ILE 272.A O no hydrogen 2.796 N/A LEU 276.A N ILE 272.A O no hydrogen 2.897 N/A GLU 277.A N ILE 273.A O no hydrogen 3.032 N/A HIS 278.A N LEU 274.A O no hydrogen 3.388 N/A HIS 278.A NE2 VAL 217.A O no hydrogen 2.895 N/A MET 279.A N GLY 275.A O no hydrogen 3.211 N/A HIS 280.A N LEU 276.A O no hydrogen 2.865 N/A HIS 280.A NE2 ASP 344.A OD1 no hydrogen 3.066 N/A ASN 281.A N GLU 277.A O no hydrogen 2.883 N/A ARG 282.A N HIS 278.A O no hydrogen 3.362 N/A ARG 282.A N MET 279.A O no hydrogen 3.282 N/A PHE 283.A N HIS 280.A O no hydrogen 3.278 N/A VAL 284.A N MET 279.A O no hydrogen 2.765 N/A VAL 285.A N CYS 311.A O no hydrogen 3.090 N/A TYR 286.A N ASP 344.A OD1 no hydrogen 2.765 N/A TYR 286.A OH ASP 306.A O no hydrogen 2.440 N/A ARG 287.A N ASP 344.A OD2 no hydrogen 2.812 N/A ARG 287.A NE LEU 309.A O no hydrogen 2.841 N/A ARG 287.A NH1 TYR 339.A OH no hydrogen 2.763 N/A ARG 287.A NH2 LEU 309.A O no hydrogen 3.338 N/A LYS 290.A NZ THR 324.A OG1 no hydrogen 3.161 N/A ASN 293.A N LYS 290.A O no hydrogen 2.923 N/A ASN 293.A ND2 ASP 288.A O no hydrogen 2.697 N/A ASN 293.A ND2 ASP 288.A OD2 no hydrogen 2.870 N/A ILE 294.A N PRO 291.A O no hydrogen 3.297 N/A LEU 295.A N ARG 303.A O no hydrogen 2.787 N/A LEU 296.A N GLY 248.A O no hydrogen 2.960 N/A ASP 297.A N HIS 301.A O no hydrogen 2.870 N/A GLY 300.A N ASP 297.A O no hydrogen 2.627 N/A GLY 300.A N ASP 297.A OD1 no hydrogen 2.769 N/A HIS 301.A N ASP 297.A OD1 no hydrogen 2.755 N/A HIS 301.A ND1 GLU 271.A OE2 no hydrogen 2.851 N/A VAL 302.A N GLU 271.A OE1 no hydrogen 2.667 N/A ARG 303.A N LEU 295.A O no hydrogen 2.884 N/A ARG 303.A NE ILE 225.A O no hydrogen 3.366 N/A ARG 303.A NH2 CYS 222.A O no hydrogen 3.345 N/A ILE 304.A N PHE 224.A O no hydrogen 2.994 N/A SER 305.A N ASN 293.A O no hydrogen 2.818 N/A LEU 307.A N GLU 210.A OE1 no hydrogen 3.441 N/A GLY 308.A N ASP 306.A OD1 no hydrogen 2.736 N/A ALA 310.A N LEU 307.A O no hydrogen 2.804 N/A CYS 311.A N VAL 285.A O no hydrogen 2.927 N/A CYS 311.A SG ASP 312.A O no hydrogen 3.966 N/A PHE 313.A N PHE 283.A O no hydrogen 2.960 N/A SER 314.A N ASP 312.A OD1 no hydrogen 3.108 N/A SER 314.A OG ASP 312.A OD1 no hydrogen 2.964 N/A THR 324.A OG1 ASP 288.A OD1 no hydrogen 2.935 N/A HIS 325.A ND1 ASP 374.A OD1 no hydrogen 2.886 N/A TYR 327.A N THR 324.A O no hydrogen 3.234 N/A GLU 331.A N GLU 331.A OE2 no hydrogen 2.790 N/A LEU 333.A N ALA 329.A O no hydrogen 3.177 N/A LEU 333.A N PRO 330.A O no hydrogen 3.237 N/A GLN 334.A N PRO 330.A O no hydrogen 3.149 N/A TYR 339.A N PRO 318.A O no hydrogen 3.182 N/A TYR 339.A OH ALA 320.A O no hydrogen 2.732 N/A SER 341.A OG ASP 340.A OD1 no hydrogen 3.382 N/A SER 342.A N ASP 340.A OD1 no hydrogen 3.034 N/A SER 342.A OG GLU 331.A OE1 no hydrogen 3.202 N/A ALA 343.A N ASP 340.A O no hydrogen 3.331 N/A ASP 344.A N SER 341.A O no hydrogen 3.025 N/A SER 347.A N ALA 343.A O no hydrogen 3.076 N/A SER 347.A OG TYR 327.A O no hydrogen 2.435 N/A SER 347.A OG ALA 343.A O no hydrogen 2.947 N/A LEU 348.A N ASP 344.A O no hydrogen 2.568 N/A GLY 349.A N TRP 345.A O no hydrogen 3.416 N/A CYS 350.A N PHE 346.A O no hydrogen 3.023 N/A CYS 350.A SG PHE 346.A O no hydrogen 3.359 N/A MET 351.A N SER 347.A O no hydrogen 2.914 N/A LEU 352.A N LEU 348.A O no hydrogen 2.898 N/A PHE 353.A N GLY 349.A O no hydrogen 3.200 N/A LYS 354.A N CYS 350.A O no hydrogen 3.081 N/A LEU 355.A N MET 351.A O no hydrogen 2.977 N/A LEU 356.A N LEU 352.A O no hydrogen 3.165 N/A ARG 357.A N PHE 353.A O no hydrogen 3.058 N/A ARG 357.A N LYS 354.A O no hydrogen 3.098 N/A GLY 358.A N LYS 354.A O no hydrogen 2.653 N/A HIS 359.A ND1 ARG 363.A O no hydrogen 2.903 N/A ARG 363.A N SER 360.A O no hydrogen 3.235 N/A LYS 370.A N LYS 368.A O no hydrogen 2.774 N/A GLU 372.A N ASP 369.A OD1 no hydrogen 2.925 N/A ASP 374.A N LYS 370.A O no hydrogen 2.670 N/A ARG 375.A N HIS 371.A O no hydrogen 2.945 N/A MET 376.A N GLU 372.A O no hydrogen 2.951 N/A THR 377.A N ILE 373.A O no hydrogen 3.297 N/A THR 377.A N ASP 374.A O no hydrogen 3.079 N/A THR 377.A OG1 ILE 373.A O no hydrogen 2.880 N/A LEU 378.A N ASP 374.A O no hydrogen 3.231 N/A THR 379.A OG1 ARG 375.A O no hydrogen 2.538 N/A PHE 388.A N PRO 385.A O no hydrogen 2.968 N/A SER 389.A N GLU 262.A OE1 no hydrogen 2.924 N/A SER 389.A OG GLU 262.A OE2 no hydrogen 3.118 N/A SER 389.A OG GLU 391.A OE1 no hydrogen 3.450 N/A LEU 392.A N SER 389.A OG no hydrogen 2.929 N/A ARG 393.A N SER 389.A O no hydrogen 2.760 N/A SER 394.A N PRO 390.A O no hydrogen 3.099 N/A LEU 395.A N GLU 391.A O no hydrogen 3.472 N/A LEU 396.A N LEU 392.A O no hydrogen 3.049 N/A GLU 397.A N ARG 393.A O no hydrogen 2.770 N/A GLY 398.A N SER 394.A O no hydrogen 2.726 N/A LEU 399.A N LEU 395.A O no hydrogen 2.845 N/A GLN 401.A N GLY 398.A O no hydrogen 3.218 N/A GLN 401.A NE2 GLU 397.A O no hydrogen 3.467 N/A ASN 405.A ND2 ASP 403.A OD1 no hydrogen 3.507 N/A ARG 406.A N ASP 403.A O no hydrogen 2.978 N/A ARG 407.A NE GLN 401.A O no hydrogen 2.943 N/A ARG 407.A NH1 GLU 331.A OE1 no hydrogen 2.988 N/A ARG 407.A NH1 SER 342.A O no hydrogen 2.837 N/A ARG 407.A NH2 GLU 331.A OE2 no hydrogen 3.041 N/A ARG 407.A NH2 GLN 401.A O no hydrogen 2.916 N/A LEU 408.A N GLY 398.A O no hydrogen 3.461 N/A GLY 409.A N GLU 417.A OE1 no hydrogen 2.851 N/A CYS 410.A SG LEU 408.A O no hydrogen 3.806 N/A GLY 412.A N GLU 417.A OE2 no hydrogen 2.551 N/A ARG 413.A N GLU 417.A OE2 no hydrogen 2.796 N/A ARG 413.A NH2 GLU 420.A OE1 no hydrogen 3.546 N/A GLN 416.A NE2 GLU 420.A OE1 no hydrogen 2.885 N/A GLU 417.A N GLY 414.A O no hydrogen 2.938 N/A LYS 419.A N ALA 415.A O no hydrogen 2.938 N/A LYS 419.A NZ GLU 277.A OE1 no hydrogen 3.534 N/A LYS 419.A NZ GLU 277.A OE2 no hydrogen 2.760 N/A GLU 420.A N GLN 416.A O no hydrogen 3.131 N/A SER 421.A N VAL 418.A O no hydrogen 2.850 N/A PHE 424.A N SER 421.A O no hydrogen 3.080 N/A ARG 425.A N PRO 422.A O no hydrogen 2.869 N/A LEU 427.A N PHE 424.A O no hydrogen 2.898 N/A ASP 428.A N TYR 437.A OH no hydrogen 3.125 N/A GLN 430.A N ASP 428.A OD2 no hydrogen 2.850 N/A GLN 430.A NE2 GLU 67.A O no hydrogen 3.226 N/A MET 431.A N ASP 428.A O no hydrogen 2.941 N/A VAL 432.A N ASP 428.A O no hydrogen 3.181 N/A PHE 433.A N TRP 429.A O no hydrogen 3.130 N/A LEU 434.A N GLN 430.A O no hydrogen 3.151 N/A GLN 435.A N VAL 432.A O no hydrogen 3.385 N/A LYS 436.A N MET 431.A O no hydrogen 3.029 N/A GLU 451.A N SER 448.A O no hydrogen 3.242 N/A LEU 452.A N ASP 449.A O no hydrogen 3.262 N/A TYR 453.A N GLN 450.A O no hydrogen 3.162 N/A ARG 454.A N GLU 451.A O no hydrogen 3.346 N/A LEU 458.A N ALA 231.A O no hydrogen 2.859 N/A ILE 460.A N SER 229.A O no hydrogen 3.230 N/A SER 461.A OG GLU 152.A OE2 no hydrogen 2.604 N/A ARG 463.A NE SER 218.A O no hydrogen 3.281 N/A ARG 463.A NH1 ASP 243.A OD2 no hydrogen 3.059 N/A TRP 464.A N ILE 460.A O no hydrogen 3.058 N/A GLN 465.A N SER 461.A O no hydrogen 2.910 N/A GLN 465.A NE2 GLN 32.A OE1 no hydrogen 3.197 N/A GLN 465.A NE2 GLU 152.A OE1 no hydrogen 3.297 N/A GLN 466.A N GLU 462.A O no hydrogen 3.271 N/A GLN 466.A N ARG 463.A O no hydrogen 3.113 N/A GLN 466.A NE2 GLU 470.A OE2 no hydrogen 3.014 N/A GLU 467.A N ARG 463.A O no hydrogen 3.093 N/A VAL 468.A N TRP 464.A O no hydrogen 3.112 N/A ALA 469.A N GLN 465.A O no hydrogen 3.016 N/A GLU 470.A N GLN 466.A O no hydrogen 3.100 N/A THR 471.A N VAL 468.A O no hydrogen 3.185 N/A THR 471.A OG1 GLU 467.A O no hydrogen 2.747 N/A THR 471.A OG1 VAL 468.A O no hydrogen 3.335 N/A VAL 472.A N THR 471.A OG1 no hydrogen 2.707 N/A PHE 473.A N VAL 468.A O no hydrogen 3.097 N/A THR 475.A OG1 VAL 472.A O no hydrogen 2.959 N/A ILE 476.A N VAL 472.A O no hydrogen 2.865 N/A ASN 477.A N PHE 473.A O no hydrogen 3.060 N/A ALA 478.A N ASP 474.A O no hydrogen 3.170 N/A GLU 479.A N THR 475.A O no hydrogen 2.827 N/A THR 480.A N ILE 476.A O no hydrogen 2.886 N/A THR 480.A OG1 ILE 476.A O no hydrogen 2.499 N/A THR 480.A OG1 ASN 477.A O no hydrogen 3.144 N/A ASP 481.A N ASN 477.A O no hydrogen 2.866 N/A ARG 482.A N ALA 478.A O no hydrogen 3.122 N/A LEU 483.A N GLU 479.A O no hydrogen 3.105 N/A GLU 484.A N THR 480.A O no hydrogen 3.424 N/A ALA 485.A N ASP 481.A O no hydrogen 2.904 N/A ARG 486.A N ARG 482.A O no hydrogen 3.042 N/A LYS 487.A N LEU 483.A O no hydrogen 2.884 N/A LYS 488.A N GLU 484.A O no hydrogen 2.820 N/A THR 489.A N ALA 485.A O no hydrogen 2.989 N/A THR 489.A OG1 ALA 485.A O no hydrogen 3.125 N/A LYS 490.A N ARG 486.A O no hydrogen 2.672 N/A ASN 491.A N LYS 487.A O no hydrogen 2.827 N/A LYS 492.A N LYS 488.A O no hydrogen 3.235 N/A GLN 493.A NE2 THR 489.A O no hydrogen 3.494 N/A LEU 494.A N LYS 490.A O no hydrogen 3.047 N/A LEU 494.A N ASN 491.A O no hydrogen 3.138 N/A GLU 498.A N HIS 496.A O no hydrogen 2.809 N/A TYR 500.A OH GLU 530.A OE1 no hydrogen 2.615 N/A ALA 501.A N ASP 499.A OD2 no hydrogen 3.011 N/A LEU 502.A N ASP 499.A O no hydrogen 3.357 N/A LYS 504.A NZ TYR 500.A O no hydrogen 2.715 N/A CYS 506.A SG MET 508.A O no hydrogen 3.445 N/A CYS 506.A SG LEU 524.A O no hydrogen 3.453 N/A ILE 507.A N LEU 524.A O no hydrogen 2.781 N/A MET 508.A N LEU 524.A O no hydrogen 3.465 N/A HIS 509.A N SER 12.A OG no hydrogen 2.967 N/A HIS 509.A ND1 TYR 521.A OH no hydrogen 2.658 N/A GLY 510.A N PHE 522.A O no hydrogen 3.045 N/A TYR 511.A OH GLU 534.A OE2 no hydrogen 2.772 N/A MET 512.A N ARG 520.A O no hydrogen 3.233 N/A SER 513.A N GLN 574.A O no hydrogen 2.917 N/A LYS 514.A N GLN 518.A O no hydrogen 2.968 N/A LYS 514.A NZ GLN 518.A OE1 no hydrogen 2.727 N/A GLN 518.A N LYS 514.A O no hydrogen 2.574 N/A ARG 519.A NH2 ASP 576.A OD1 no hydrogen 3.391 N/A ARG 519.A NH2 ASP 576.A OD2 no hydrogen 3.399 N/A ARG 520.A N MET 512.A O no hydrogen 3.094 N/A TYR 521.A N ARG 532.A O no hydrogen 2.952 N/A TYR 521.A OH HIS 509.A ND1 no hydrogen 2.658 N/A PHE 522.A N GLY 510.A O no hydrogen 2.833 N/A TYR 523.A N GLU 530.A O no hydrogen 2.865 N/A LEU 524.A N MET 508.A O no hydrogen 2.791 N/A PHE 525.A N ARG 528.A O no hydrogen 2.769 N/A ARG 528.A NE GLU 530.A OE2 no hydrogen 2.776 N/A ARG 528.A NH1 ASN 527.A OD1 no hydrogen 2.788 N/A ARG 528.A NH2 GLU 530.A OE2 no hydrogen 3.301 N/A LEU 529.A N LEU 542.A O no hydrogen 2.698 N/A GLU 530.A N TYR 523.A O no hydrogen 2.849 N/A TRP 531.A N SER 540.A O no hydrogen 3.194 N/A ARG 532.A N TYR 521.A O no hydrogen 2.953 N/A ARG 532.A NE TYR 523.A OH no hydrogen 3.171 N/A ARG 532.A NH1 GLY 533.A O no hydrogen 3.495 N/A ARG 532.A NH2 TYR 523.A OH no hydrogen 3.110 N/A GLN 539.A NE2 PRO 538.A O no hydrogen 2.649 N/A LEU 542.A N LEU 529.A O no hydrogen 2.850 N/A THR 543.A N GLU 546.A OE1 no hydrogen 3.191 N/A MET 544.A N ASN 527.A O no hydrogen 3.018 N/A GLU 546.A N THR 543.A OG1 no hydrogen 3.412 N/A ILE 547.A N MET 544.A O no hydrogen 3.213 N/A GLN 548.A N LYS 564.A O no hydrogen 2.638 N/A GLU 551.A N LEU 562.A O no hydrogen 2.979 N/A THR 553.A N CYS 560.A O no hydrogen 2.956 N/A ILE 555.A N ARG 558.A O no hydrogen 2.760 N/A ARG 558.A N ILE 555.A O no hydrogen 2.965 N/A ARG 558.A NE GLN 574.A OE1 no hydrogen 2.703 N/A ARG 558.A NH2 GLN 574.A OE1 no hydrogen 3.527 N/A CYS 560.A N THR 553.A O no hydrogen 2.957 N/A CYS 560.A SG ARG 558.A O no hydrogen 3.395 N/A LEU 561.A N LEU 573.A O no hydrogen 2.787 N/A LEU 562.A N GLU 551.A O no hydrogen 2.990 N/A LEU 563.A N PHE 571.A O no hydrogen 2.853 N/A LYS 564.A N SER 549.A O no hydrogen 3.043 N/A ILE 565.A N LYS 569.A O no hydrogen 2.612 N/A ARG 566.A N GLU 546.A O no hydrogen 2.565 N/A GLY 568.A N ILE 565.A O no hydrogen 3.186 N/A PHE 571.A N LEU 563.A O no hydrogen 2.925 N/A LEU 573.A N LEU 561.A O no hydrogen 2.926 N/A GLN 574.A N SER 513.A O no hydrogen 2.713 N/A SER 577.A OG GLU 580.A OE1 no hydrogen 2.240 N/A ASP 578.A N ASN 154.A OD1 no hydrogen 3.360 N/A LEU 581.A N SER 577.A O no hydrogen 3.107 N/A VAL 582.A N ASP 578.A O no hydrogen 3.068 N/A GLN 583.A N PRO 579.A O no hydrogen 2.926 N/A GLN 583.A NE2 ASP 20.A OD2 no hydrogen 2.894 N/A TRP 584.A N GLU 580.A O no hydrogen 2.848 N/A LYS 585.A N LEU 581.A O no hydrogen 2.989 N/A LYS 586.A N VAL 582.A O no hydrogen 3.137 N/A GLU 587.A N GLN 583.A O no hydrogen 3.001 N/A LEU 588.A N TRP 584.A O no hydrogen 2.908 N/A ARG 589.A N LYS 585.A O no hydrogen 3.053 N/A ASP 590.A N LYS 586.A O no hydrogen 2.807 N/A ALA 591.A N GLU 587.A O no hydrogen 2.856 N/A TYR 592.A N LEU 588.A O no hydrogen 3.015 N/A ARG 593.A N ARG 589.A O no hydrogen 3.042 N/A GLU 594.A N ASP 590.A O no hydrogen 3.061 N/A ALA 595.A N ALA 591.A O no hydrogen 2.828 N/A GLN 596.A N TYR 592.A O no hydrogen 2.997 N/A GLN 596.A NE2 MET 544.A O no hydrogen 2.995 N/A GLN 596.A NE2 ILE 547.A O no hydrogen 2.713 N/A GLN 597.A N ARG 593.A O no hydrogen 3.245 N/A LEU 598.A N GLU 594.A O no hydrogen 3.223 N/A VAL 599.A N ALA 595.A O no hydrogen 2.952 N/A ARG 601.A N LEU 598.A O no hydrogen 2.838 N/A VAL 602.A N VAL 599.A O no hydrogen 2.864 N/A MET 605.A N VAL 602.A O no hydrogen 3.005 N/A LYS 606.A N VAL 602.A O no hydrogen 3.066 N/A LYS 608.A NZ PRO 603.A O no hydrogen 3.282 N/A