Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 23.A O no hydrogen 3.002 N/A LEU 4.A N HIS 82.A O no hydrogen 3.090 N/A VAL 5.A N VAL 25.A O no hydrogen 2.977 N/A ILE 6.A N TYR 84.A O no hydrogen 2.940 N/A VAL 7.A N LYS 27.A O no hydrogen 3.050 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.754 N/A SER 9.A OG GLU 290.A OE1 no hydrogen 3.303 N/A SER 9.A OG GLU 290.A OE2 no hydrogen 2.976 N/A LYS 12.A N SER 9.A OG no hydrogen 3.424 N/A LYS 12.A NZ GLU 8.A OE1 no hydrogen 2.761 N/A LYS 12.A NZ ALA 86.A O no hydrogen 2.813 N/A LYS 12.A NZ ASN 88.A OD1 no hydrogen 3.113 N/A ALA 13.A N SER 9.A O no hydrogen 2.984 N/A LYS 14.A N PRO 10.A O no hydrogen 2.894 N/A THR 15.A N ALA 11.A O no hydrogen 3.136 N/A THR 15.A OG1 ALA 11.A O no hydrogen 3.153 N/A THR 15.A OG1 GLU 290.A O no hydrogen 2.593 N/A ILE 16.A N LYS 12.A O no hydrogen 2.929 N/A ASN 17.A N ALA 13.A O no hydrogen 3.048 N/A ASN 17.A ND2 ALA 13.A O no hydrogen 3.070 N/A LYS 18.A N THR 15.A O no hydrogen 3.211 N/A TYR 19.A N ILE 16.A O no hydrogen 2.905 N/A LEU 20.A N ASN 17.A O no hydrogen 3.426 N/A TYR 24.A N GLY 21.A O no hydrogen 3.265 N/A VAL 25.A N ALA 3.A O no hydrogen 2.697 N/A LYS 27.A N VAL 5.A O no hydrogen 2.921 N/A LYS 27.A NZ SER 28.A O no hydrogen 2.718 N/A SER 29.A N VAL 7.A O no hydrogen 2.818 N/A SER 29.A OG VAL 7.A O no hydrogen 3.461 N/A SER 29.A OG GLY 31.A O no hydrogen 3.096 N/A GLY 31.A N GLU 8.A O no hydrogen 2.897 N/A LEU 36.A N ASP 35.A OD1 no hydrogen 2.760 N/A VAL 45.A N ARG 41.A O no hydrogen 3.024 N/A ASN 46.A N GLY 42.A O no hydrogen 2.880 N/A ARG 47.A N ALA 43.A O no hydrogen 3.239 N/A MET 48.A N LEU 44.A O no hydrogen 2.941 N/A GLY 49.A N VAL 45.A O no hydrogen 2.832 N/A ASP 51.A N GLU 57.A O no hydrogen 2.897 N/A TRP 53.A N ASP 51.A OD1 no hydrogen 2.798 N/A HIS 54.A N ASP 51.A O no hydrogen 3.186 N/A TRP 56.A N ASP 51.A O no hydrogen 2.917 N/A TRP 56.A NE1 ASP 532.A OD1 no hydrogen 2.836 N/A GLU 57.A N HIS 54.A O no hydrogen 3.382 N/A HIS 59.A N GLY 49.A O no hydrogen 2.683 N/A TYR 60.A OH GLN 143.A OE1 no hydrogen 2.510 N/A GLU 61.A N ASP 35.A O no hydrogen 3.104 N/A LEU 63.A N ILE 33.A O no hydrogen 2.935 N/A LYS 66.A N LEU 63.A O no hydrogen 3.025 N/A LYS 66.A NZ SER 29.A O no hydrogen 2.600 N/A LYS 66.A NZ VAL 30.A O no hydrogen 2.666 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.691 N/A VAL 70.A N LYS 66.A O no hydrogen 3.081 N/A SER 71.A OG GLU 67.A O no hydrogen 3.348 N/A GLU 72.A N LYS 68.A O no hydrogen 3.183 N/A LEU 73.A N VAL 69.A O no hydrogen 2.946 N/A LYS 74.A N VAL 70.A O no hydrogen 2.934 N/A LYS 74.A NZ VAL 103.A O no hydrogen 3.048 N/A LYS 74.A NZ ILE 104.A O no hydrogen 3.431 N/A GLN 75.A N SER 71.A O no hydrogen 3.056 N/A LEU 76.A N GLU 72.A O no hydrogen 3.116 N/A ALA 77.A N LEU 73.A O no hydrogen 2.760 N/A GLU 78.A N LYS 74.A O no hydrogen 2.968 N/A ALA 80.A N ALA 77.A O no hydrogen 3.050 N/A ASP 81.A N LYS 2.A O no hydrogen 2.812 N/A HIS 82.A NE2 SER 112.A OG no hydrogen 2.599 N/A ILE 83.A N ARG 110.A O no hydrogen 2.820 N/A TYR 84.A N LEU 4.A O no hydrogen 2.763 N/A LEU 85.A N SER 112.A O no hydrogen 2.729 N/A ALA 86.A N ILE 6.A O no hydrogen 2.907 N/A THR 87.A OG1 GLY 93.A O no hydrogen 2.517 N/A ASN 88.A N GLU 8.A OE2 no hydrogen 2.717 N/A ARG 91.A NH1 ASP 518.A OD1 no hydrogen 3.268 N/A ARG 91.A NH2 ASP 518.A OD1 no hydrogen 2.804 N/A GLY 93.A N ASP 90.A OD1 no hydrogen 2.938 N/A GLU 94.A N ASP 90.A O no hydrogen 2.986 N/A ALA 95.A N ARG 91.A O no hydrogen 2.968 N/A ILE 96.A N GLU 92.A O no hydrogen 2.919 N/A ALA 97.A N GLY 93.A O no hydrogen 3.148 N/A TRP 98.A N GLU 94.A O no hydrogen 2.985 N/A HIS 99.A N ALA 95.A O no hydrogen 2.938 N/A LEU 100.A N ILE 96.A O no hydrogen 3.062 N/A ARG 101.A N ALA 97.A O no hydrogen 2.936 N/A GLU 102.A N TRP 98.A O no hydrogen 2.812 N/A VAL 103.A N HIS 99.A O no hydrogen 2.866 N/A ILE 104.A N LEU 100.A O no hydrogen 2.871 N/A GLY 105.A N ARG 101.A O no hydrogen 3.042 N/A ALA 109.A N ASP 107.A OD2 no hydrogen 3.115 N/A ARG 110.A N ASP 107.A O no hydrogen 2.902 N/A ARG 110.A NH1 ALA 80.A O no hydrogen 2.622 N/A ARG 110.A NH2 ALA 77.A O no hydrogen 2.772 N/A ARG 110.A NH2 ALA 80.A O no hydrogen 3.498 N/A TYR 111.A N ASP 108.A O no hydrogen 2.835 N/A TYR 111.A OH GLY 105.A O no hydrogen 2.552 N/A SER 112.A N ILE 83.A O no hydrogen 2.932 N/A SER 112.A OG HIS 82.A NE2 no hydrogen 2.599 N/A ARG 113.A N GLY 132.A O no hydrogen 2.740 N/A ARG 113.A NE GLU 94.A OE1 no hydrogen 2.680 N/A ARG 113.A NH1 THR 87.A O no hydrogen 2.956 N/A ARG 113.A NH1 VAL 114.A O no hydrogen 2.944 N/A ARG 113.A NH2 ASN 88.A O no hydrogen 2.754 N/A ARG 113.A NH2 GLU 94.A OE1 no hydrogen 2.950 N/A VAL 114.A N LEU 85.A O no hydrogen 3.130 N/A ALA 123.A N THR 120.A OG1 no hydrogen 3.179 N/A ILE 124.A N THR 120.A O no hydrogen 2.892 N/A ARG 125.A N LYS 121.A O no hydrogen 2.870 N/A GLN 126.A N ASN 122.A O no hydrogen 2.994 N/A GLN 126.A NE2 ASN 122.A O no hydrogen 3.019 N/A ALA 127.A N ALA 123.A O no hydrogen 2.914 N/A PHE 128.A N ILE 124.A O no hydrogen 3.022 N/A ASN 129.A N GLN 126.A O no hydrogen 3.186 N/A ASN 135.A N GLU 94.A OE2 no hydrogen 2.757 N/A ASP 137.A N ASN 135.A OD1 no hydrogen 2.997 N/A ARG 138.A NH1 LEU 89.A O no hydrogen 2.833 N/A ARG 138.A NH1 GLU 94.A OE1 no hydrogen 3.076 N/A ARG 138.A NH2 LEU 89.A O no hydrogen 2.990 N/A VAL 139.A N ASN 135.A O no hydrogen 3.215 N/A ASN 140.A N ILE 136.A O no hydrogen 2.837 N/A ALA 141.A N ASP 137.A O no hydrogen 2.925 N/A GLN 142.A N ARG 138.A O no hydrogen 3.046 N/A GLN 143.A N VAL 139.A O no hydrogen 2.907 N/A ALA 144.A N ASN 140.A O no hydrogen 2.846 N/A ARG 145.A N ALA 141.A O no hydrogen 3.142 N/A ARG 145.A NH1 GLU 514.A OE1 no hydrogen 3.531 N/A ARG 145.A NH1 GLU 514.A OE2 no hydrogen 3.039 N/A ARG 145.A NH2 GLU 514.A OE1 no hydrogen 3.112 N/A ARG 146.A N GLN 142.A O no hydrogen 3.067 N/A ARG 146.A NH1 ASP 35.A OD1 no hydrogen 2.919 N/A ARG 146.A NH2 ASP 35.A OD1 no hydrogen 2.983 N/A PHE 147.A N GLN 143.A O no hydrogen 2.765 N/A MET 148.A N ALA 144.A O no hydrogen 2.988 N/A ASP 149.A N ARG 145.A O no hydrogen 3.055 N/A ARG 150.A N ARG 146.A O no hydrogen 2.911 N/A ARG 150.A NH1 PRO 37.A O no hydrogen 3.298 N/A ARG 150.A NH2 PRO 37.A O no hydrogen 3.561 N/A VAL 151.A N PHE 147.A O no hydrogen 2.920 N/A VAL 152.A N MET 148.A O no hydrogen 3.133 N/A GLY 153.A N ASP 149.A O no hydrogen 2.886 N/A TYR 154.A N ARG 150.A O no hydrogen 2.865 N/A MET 155.A N VAL 151.A O no hydrogen 2.860 N/A VAL 156.A N VAL 152.A O no hydrogen 2.822 N/A SER 157.A N GLY 153.A O no hydrogen 3.364 N/A SER 157.A OG GLY 153.A O no hydrogen 2.667 N/A LEU 159.A N VAL 156.A O no hydrogen 2.976 N/A LEU 160.A N VAL 156.A O no hydrogen 3.103 N/A TRP 161.A N SER 157.A O no hydrogen 2.982 N/A TRP 161.A NE1 LEU 168.A O no hydrogen 2.676 N/A LYS 162.A N PRO 158.A O no hydrogen 3.383 N/A LYS 163.A N LEU 159.A O no hydrogen 2.958 N/A LYS 163.A NZ LYS 547.A O no hydrogen 3.084 N/A LYS 163.A NZ MET 554.A O no hydrogen 2.832 N/A ILE 164.A N LEU 160.A O no hydrogen 2.704 N/A ALA 165.A N LEU 160.A O no hydrogen 2.869 N/A ARG 172.A NE ASP 149.A OD1 no hydrogen 2.825 N/A GLN 174.A N GLN 174.A OE1 no hydrogen 2.722 N/A SER 175.A N GLY 171.A O no hydrogen 2.944 N/A SER 175.A OG GLY 171.A O no hydrogen 2.787 N/A ALA 177.A N VAL 173.A O no hydrogen 3.007 N/A VAL 178.A N GLN 174.A O no hydrogen 3.015 N/A ARG 179.A N SER 175.A O no hydrogen 3.032 N/A ARG 179.A NE GLU 183.A OE2 no hydrogen 3.031 N/A ARG 179.A NH1 MET 505.A O no hydrogen 2.842 N/A ARG 179.A NH2 GLU 183.A OE2 no hydrogen 3.496 N/A LEU 180.A N VAL 176.A O no hydrogen 3.156 N/A VAL 181.A N ALA 177.A O no hydrogen 3.253 N/A VAL 182.A N VAL 178.A O no hydrogen 2.854 N/A GLU 183.A N ARG 179.A O no hydrogen 2.895 N/A ARG 184.A N LEU 180.A O no hydrogen 3.140 N/A ARG 184.A NE GLU 187.A OE1 no hydrogen 3.085 N/A ARG 184.A NH1 ALA 442.A O no hydrogen 2.866 N/A GLU 185.A N VAL 181.A O no hydrogen 2.920 N/A ARG 186.A N VAL 182.A O no hydrogen 2.999 N/A ARG 186.A NH1 ASP 495.A OD1 no hydrogen 2.869 N/A ARG 186.A NH2 ASP 495.A OD2 no hydrogen 2.871 N/A GLU 187.A N GLU 183.A O no hydrogen 3.027 N/A ILE 188.A N ARG 184.A O no hydrogen 3.082 N/A LYS 189.A N GLU 185.A O no hydrogen 2.970 N/A ALA 190.A N ARG 186.A O no hydrogen 3.119 N/A PHE 191.A N ILE 188.A O no hydrogen 3.332 N/A GLU 194.A N THR 438.A OG1 no hydrogen 2.671 N/A PHE 196.A N HIS 436.A O no hydrogen 3.078 N/A TRP 197.A N PRO 225.A O no hydrogen 2.753 N/A TRP 197.A NE1 GLU 195.A OE2 no hydrogen 2.696 N/A GLU 198.A N ALA 434.A O no hydrogen 2.967 N/A ASP 200.A N THR 432.A O no hydrogen 3.142 N/A ALA 201.A N LEU 213.A O no hydrogen 2.733 N/A SER 202.A N GLU 430.A O no hydrogen 2.747 N/A THR 203.A N LEU 211.A O no hydrogen 2.902 N/A THR 203.A OG1 LEU 211.A O no hydrogen 2.800 N/A THR 204.A N THR 427.A O no hydrogen 2.853 N/A THR 205.A N GLU 209.A O no hydrogen 2.871 N/A THR 205.A OG1 SER 207.A OG no hydrogen 2.840 N/A THR 205.A OG1 GLU 209.A O no hydrogen 3.550 N/A SER 207.A OG THR 205.A OG1 no hydrogen 2.840 N/A GLY 208.A N THR 205.A OG1 no hydrogen 3.287 N/A GLU 209.A N THR 205.A OG1 no hydrogen 3.043 N/A LEU 211.A N THR 203.A O no hydrogen 2.880 N/A LEU 213.A N ALA 201.A O no hydrogen 2.854 N/A GLN 214.A N LYS 393.A O no hydrogen 3.059 N/A VAL 215.A N VAL 199.A O no hydrogen 2.905 N/A THR 216.A N ARG 391.A O no hydrogen 2.784 N/A THR 216.A OG1 HIS 217.A ND1 no hydrogen 2.704 N/A THR 216.A OG1 ARG 391.A O no hydrogen 3.023 N/A HIS 217.A N ARG 391.A O no hydrogen 3.129 N/A HIS 217.A ND1 THR 216.A OG1 no hydrogen 2.704 N/A GLN 218.A N LYS 221.A O no hydrogen 2.934 N/A ASN 219.A N ASP 389.A O no hydrogen 2.784 N/A LYS 221.A N GLN 218.A O no hydrogen 3.087 N/A LYS 221.A NZ ASN 219.A O no hydrogen 3.457 N/A PHE 223.A N THR 216.A O no hydrogen 2.826 N/A VAL 226.A N GLN 230.A OE1 no hydrogen 2.840 N/A GLN 230.A N ASN 227.A OD1 no hydrogen 2.647 N/A THR 231.A N ASN 227.A O no hydrogen 3.326 N/A THR 231.A OG1 LYS 228.A O no hydrogen 2.812 N/A GLN 232.A N LYS 228.A O no hydrogen 3.040 N/A ALA 233.A N GLU 229.A O no hydrogen 3.211 N/A ALA 234.A N GLN 230.A O no hydrogen 3.180 N/A VAL 235.A N THR 231.A O no hydrogen 2.723 N/A SER 236.A N GLN 232.A O no hydrogen 2.850 N/A SER 236.A OG GLN 232.A O no hydrogen 2.979 N/A LEU 238.A N ALA 234.A O no hydrogen 2.998 N/A GLU 239.A N VAL 235.A O no hydrogen 2.851 N/A LYS 240.A N LEU 237.A O no hydrogen 3.199 N/A TYR 243.A OH LEU 238.A O no hydrogen 2.826 N/A SER 244.A N GLY 386.A O no hydrogen 2.986 N/A VAL 245.A N ASP 424.A O no hydrogen 2.805 N/A LEU 246.A N THR 384.A O no hydrogen 2.686 N/A GLU 247.A N THR 384.A O no hydrogen 3.184 N/A ARG 248.A NH2 PRO 418.A O no hydrogen 2.745 N/A GLU 249.A N THR 382.A O no hydrogen 3.070 N/A LYS 251.A N SER 380.A O no hydrogen 2.824 N/A THR 253.A N TYR 378.A O no hydrogen 2.824 N/A THR 253.A OG1 SER 380.A OG no hydrogen 2.705 N/A SER 255.A N ALA 376.A O no hydrogen 3.064 N/A LYS 256.A NZ THR 254.A OG1 no hydrogen 3.410 N/A ILE 262.A N THR 265.A OG1 no hydrogen 2.995 N/A THR 263.A N THR 299.A O no hydrogen 2.948 N/A THR 263.A OG1 MET 297.A O no hydrogen 2.681 N/A THR 263.A OG1 THR 299.A O no hydrogen 3.146 N/A SER 264.A OG GLU 454.A OE1 no hydrogen 3.259 N/A SER 264.A OG GLU 454.A OE2 no hydrogen 2.624 N/A THR 265.A OG1 ILE 262.A O no hydrogen 3.365 N/A LEU 266.A N ILE 262.A O no hydrogen 2.964 N/A GLN 267.A N THR 263.A O no hydrogen 3.109 N/A GLN 268.A N SER 264.A O no hydrogen 3.114 N/A ALA 269.A N THR 265.A O no hydrogen 3.001 N/A ALA 270.A N LEU 266.A O no hydrogen 2.918 N/A SER 271.A N GLN 267.A O no hydrogen 3.122 N/A THR 272.A N GLN 268.A O no hydrogen 2.874 N/A THR 272.A OG1 GLN 268.A O no hydrogen 3.254 N/A ARG 273.A N ALA 269.A O no hydrogen 2.715 N/A LEU 274.A N ALA 270.A O no hydrogen 2.895 N/A GLY 275.A N SER 271.A O no hydrogen 3.038 N/A PHE 276.A N ALA 270.A O no hydrogen 3.097 N/A VAL 278.A N GLU 446.A OE1 no hydrogen 2.932 N/A LYS 280.A NZ ASP 356.A OD2 no hydrogen 2.879 N/A THR 281.A N GLY 277.A O no hydrogen 3.037 N/A THR 281.A OG1 GLY 277.A O no hydrogen 3.119 N/A MET 282.A N VAL 278.A O no hydrogen 3.061 N/A MET 283.A N LYS 279.A O no hydrogen 2.996 N/A MET 284.A N LYS 280.A O no hydrogen 2.917 N/A ALA 285.A N THR 281.A O no hydrogen 2.874 N/A GLN 286.A N MET 282.A O no hydrogen 3.047 N/A GLN 286.A NE2 GLU 290.A OE2 no hydrogen 3.551 N/A ARG 287.A N MET 283.A O no hydrogen 3.218 N/A LEU 288.A N MET 284.A O no hydrogen 2.970 N/A TYR 289.A N ALA 285.A O no hydrogen 2.815 N/A TYR 289.A OH ASN 88.A OD1 no hydrogen 2.677 N/A GLU 290.A N GLN 286.A O no hydrogen 2.806 N/A ALA 291.A N ARG 287.A O no hydrogen 3.084 N/A GLY 292.A N TYR 289.A O no hydrogen 2.878 N/A TYR 293.A N LEU 288.A O no hydrogen 2.901 N/A THR 295.A N ARG 339.A O no hydrogen 2.983 N/A THR 295.A OG1 ALA 337.A O no hydrogen 2.707 N/A THR 295.A OG1 ARG 339.A O no hydrogen 3.465 N/A TYR 296.A N ASN 117.A O no hydrogen 2.652 N/A ARG 298.A NH1 ASP 90.A OD2 no hydrogen 2.813 N/A ARG 298.A NH1 GLU 92.A OE1 no hydrogen 3.021 N/A THR 299.A N THR 263.A OG1 no hydrogen 2.842 N/A THR 299.A OG1 GLU 336.A O no hydrogen 2.857 N/A SER 301.A N THR 299.A OG1 no hydrogen 3.115 N/A ASN 303.A N SER 301.A OG no hydrogen 3.192 N/A ASN 303.A ND2 HIS 335.A O no hydrogen 3.474 N/A SER 305.A N GLU 336.A OE2 no hydrogen 2.827 N/A ALA 308.A N SER 305.A OG no hydrogen 3.100 N/A VAL 309.A N SER 305.A O no hydrogen 3.043 N/A ASN 310.A N GLN 306.A O no hydrogen 2.916 N/A MET 311.A N ASP 307.A O no hydrogen 2.885 N/A VAL 312.A N ALA 308.A O no hydrogen 3.084 N/A ARG 313.A N VAL 309.A O no hydrogen 2.930 N/A ARG 313.A NH1 PRO 326.A O no hydrogen 3.171 N/A ARG 313.A NH2 PRO 326.A O no hydrogen 3.165 N/A GLY 314.A N ASN 310.A O no hydrogen 2.989 N/A TYR 315.A N MET 311.A O no hydrogen 3.175 N/A ILE 316.A N VAL 312.A O no hydrogen 2.879 N/A SER 317.A N ARG 313.A O no hydrogen 2.918 N/A ASP 318.A N GLY 314.A O no hydrogen 3.032 N/A ASN 319.A N TYR 315.A O no hydrogen 2.840 N/A ASN 319.A ND2 TYR 315.A O no hydrogen 2.949 N/A PHE 320.A N ILE 316.A O no hydrogen 2.870 N/A GLY 321.A N ILE 316.A O no hydrogen 3.057 N/A TYR 324.A N GLY 321.A O no hydrogen 3.088 N/A TYR 324.A OH ASP 402.A OD1 no hydrogen 2.668 N/A LEU 325.A N LYS 322.A O no hydrogen 3.129 N/A ASN 330.A N GLN 372.A OE1 no hydrogen 2.929 N/A ASN 330.A ND2 CYS 371.A O no hydrogen 3.027 N/A GLN 331.A NE2 TYR 332.A O no hydrogen 3.007 N/A TYR 332.A OH CYS 371.A O no hydrogen 2.700 N/A ALA 337.A N ASN 303.A O no hydrogen 2.937 N/A ILE 338.A N PHE 261.A O no hydrogen 2.844 N/A ARG 339.A N THR 295.A OG1 no hydrogen 2.839 N/A ARG 339.A NE GLU 336.A OE2 no hydrogen 2.598 N/A ARG 339.A NH1 GLU 118.A OE1 no hydrogen 3.352 N/A ARG 339.A NH1 PRO 340.A O no hydrogen 3.198 N/A ARG 339.A NH2 GLU 118.A OE2 no hydrogen 3.245 N/A ARG 339.A NH2 GLU 336.A OE1 no hydrogen 2.620 N/A ARG 339.A NH2 GLU 336.A OE2 no hydrogen 3.024 N/A SER 341.A N TYR 293.A O no hydrogen 2.857 N/A SER 341.A OG GLY 292.A O no hydrogen 2.697 N/A ASN 344.A N ASP 342.A OD1 no hydrogen 2.963 N/A VAL 345.A N ASP 342.A O no hydrogen 3.038 N/A SER 349.A N MET 346.A O no hydrogen 2.867 N/A LYS 351.A N TYR 293.A OH no hydrogen 2.957 N/A GLU 354.A N GLU 354.A OE1 no hydrogen 2.512 N/A GLN 358.A N GLU 354.A O no hydrogen 3.077 N/A GLN 358.A NE2 MET 353.A O no hydrogen 2.786 N/A LYS 359.A N ALA 355.A O no hydrogen 2.940 N/A LEU 360.A N ASP 356.A O no hydrogen 2.965 N/A TYR 361.A N ALA 357.A O no hydrogen 3.019 N/A TYR 361.A OH VAL 345.A O no hydrogen 2.650 N/A GLN 362.A N GLN 358.A O no hydrogen 2.928 N/A LEU 363.A N LYS 359.A O no hydrogen 3.006 N/A ILE 364.A N LEU 360.A O no hydrogen 2.959 N/A TRP 365.A N TYR 361.A O no hydrogen 2.686 N/A TRP 365.A NE1 VAL 343.A O no hydrogen 2.904 N/A ARG 366.A N GLN 362.A O no hydrogen 2.838 N/A GLN 367.A N LEU 363.A O no hydrogen 3.121 N/A GLN 367.A NE2 ALA 259.A O no hydrogen 2.980 N/A PHE 368.A N ILE 364.A O no hydrogen 2.988 N/A VAL 369.A N TRP 365.A O no hydrogen 2.951 N/A ALA 370.A N ARG 366.A O no hydrogen 2.879 N/A CYS 371.A N GLN 367.A O no hydrogen 3.059 N/A CYS 371.A SG PHE 368.A O no hydrogen 3.037 N/A GLN 372.A N VAL 369.A O no hydrogen 3.139 N/A GLN 372.A NE2 ASN 330.A O no hydrogen 2.989 N/A MET 373.A N ALA 370.A O no hydrogen 2.948 N/A THR 374.A N TYR 324.A O no hydrogen 3.109 N/A THR 374.A OG1 LYS 323.A O no hydrogen 2.952 N/A ALA 376.A N SER 255.A O no hydrogen 2.921 N/A LYS 377.A N PHE 401.A O no hydrogen 2.750 N/A TYR 378.A N THR 253.A O no hydrogen 2.842 N/A ASP 379.A N ILE 398.A O no hydrogen 2.891 N/A SER 380.A N LYS 251.A O no hydrogen 2.854 N/A SER 380.A OG THR 253.A OG1 no hydrogen 2.705 N/A THR 381.A N GLY 396.A O no hydrogen 2.872 N/A THR 381.A OG1 ASP 250.A OD2 no hydrogen 3.096 N/A THR 382.A N GLU 249.A O no hydrogen 2.937 N/A LEU 383.A N ALA 394.A O no hydrogen 2.896 N/A THR 384.A N GLU 247.A O no hydrogen 2.953 N/A VAL 385.A N LEU 392.A O no hydrogen 2.763 N/A GLY 386.A N SER 244.A O no hydrogen 2.837 N/A ALA 387.A N PHE 390.A O no hydrogen 2.952 N/A PHE 390.A N ALA 387.A O no hydrogen 2.829 N/A ARG 391.A N HIS 217.A O no hydrogen 2.870 N/A ARG 391.A NH2 ASP 220.A OD1 no hydrogen 2.767 N/A LEU 392.A N VAL 385.A O no hydrogen 2.829 N/A LYS 393.A N GLN 214.A O no hydrogen 2.911 N/A ALA 394.A N LEU 383.A O no hydrogen 2.925 N/A GLY 396.A N THR 381.A O no hydrogen 2.960 N/A ILE 398.A N ASP 379.A O no hydrogen 3.005 N/A ARG 400.A N LYS 377.A O no hydrogen 2.776 N/A ARG 400.A NE LEU 399.A O no hydrogen 3.512 N/A PHE 401.A N LYS 377.A O no hydrogen 3.137 N/A TRP 404.A N THR 374.A O no hydrogen 2.856 N/A TRP 404.A NE1 SER 255.A O no hydrogen 3.021 N/A TRP 404.A NE1 SER 255.A OG no hydrogen 3.210 N/A THR 405.A N ASP 402.A O no hydrogen 3.111 N/A THR 405.A OG1 ASP 402.A O no hydrogen 2.716 N/A LYS 406.A N GLY 403.A O no hydrogen 2.972 N/A VAL 407.A N TRP 404.A O no hydrogen 3.305 N/A MET 408.A N THR 405.A O no hydrogen 3.055 N/A ASN 421.A N ASP 424.A OD2 no hydrogen 2.604 N/A GLY 423.A N VAL 245.A O no hydrogen 2.926 N/A ASP 424.A N ASN 421.A O no hydrogen 2.985 N/A LEU 426.A N TYR 243.A O no hydrogen 3.044 N/A THR 427.A N THR 204.A O no hydrogen 2.926 N/A VAL 429.A N SER 202.A O no hydrogen 2.742 N/A GLU 430.A N SER 202.A O no hydrogen 3.211 N/A THR 432.A N ASP 200.A O no hydrogen 2.885 N/A ALA 434.A N GLU 198.A O no hydrogen 2.804 N/A GLN 435.A NE2 GLU 195.A OE2 no hydrogen 2.810 N/A HIS 436.A N PHE 196.A O no hydrogen 2.888 N/A THR 438.A N GLU 194.A O no hydrogen 2.844 N/A ARG 443.A NH1 GLU 185.A OE1 no hydrogen 2.835 N/A ARG 443.A NH1 GLU 185.A OE2 no hydrogen 3.304 N/A ARG 443.A NH1 PHE 484.A O no hydrogen 2.996 N/A ARG 443.A NH2 GLU 185.A OE2 no hydrogen 2.760 N/A SER 445.A N SER 448.A OG no hydrogen 2.828 N/A SER 448.A N SER 445.A OG no hydrogen 2.765 N/A SER 448.A OG SER 445.A OG no hydrogen 3.338 N/A LEU 449.A N SER 445.A O no hydrogen 3.017 N/A VAL 450.A N GLU 446.A O no hydrogen 3.248 N/A LYS 451.A N ALA 447.A O no hydrogen 2.943 N/A GLU 452.A N SER 448.A O no hydrogen 3.126 N/A LEU 453.A N LEU 449.A O no hydrogen 2.781 N/A GLU 454.A N VAL 450.A O no hydrogen 2.907 N/A LYS 455.A N LYS 451.A O no hydrogen 3.038 N/A ARG 456.A N GLU 452.A O no hydrogen 3.082 N/A ARG 456.A NE GLU 452.A OE2 no hydrogen 2.941 N/A GLY 457.A N GLU 454.A O no hydrogen 2.877 N/A ILE 458.A N LEU 453.A O no hydrogen 2.936 N/A ARG 460.A NH1 ASP 518.A OD1 no hydrogen 3.030 N/A ARG 460.A NH2 ASP 518.A OD1 no hydrogen 2.728 N/A THR 463.A N ARG 460.A O no hydrogen 2.863 N/A THR 463.A OG1 ARG 460.A O no hydrogen 3.366 N/A TYR 464.A N ARG 460.A O no hydrogen 3.013 N/A SER 466.A OG THR 463.A O no hydrogen 2.903 N/A ILE 467.A N THR 463.A O no hydrogen 2.913 N/A ILE 468.A N TYR 464.A O no hydrogen 3.020 N/A SER 469.A N ALA 465.A O no hydrogen 2.921 N/A THR 470.A N SER 466.A O no hydrogen 2.835 N/A THR 470.A OG1 SER 466.A O no hydrogen 2.772 N/A ILE 471.A N ILE 467.A O no hydrogen 3.157 N/A GLN 472.A N SER 469.A O no hydrogen 3.268 N/A TYR 476.A OH SER 169.A O no hydrogen 2.697 N/A ARG 478.A N TYR 485.A O no hydrogen 2.945 N/A GLU 480.A N ARG 483.A O no hydrogen 2.801 N/A ARG 482.A NH1 SER 271.A O no hydrogen 3.471 N/A ARG 482.A NH1 SER 271.A OG no hydrogen 3.340 N/A ARG 482.A NH2 SER 271.A OG no hydrogen 2.984 N/A ARG 483.A N GLU 480.A O no hydrogen 2.981 N/A ARG 483.A NH1 ARG 443.A O no hydrogen 3.157 N/A PHE 484.A N PHE 444.A O no hydrogen 2.804 N/A TYR 485.A N ARG 478.A O no hydrogen 2.859 N/A ALA 486.A N GLU 185.A OE1 no hydrogen 2.742 N/A GLU 487.A N TYR 476.A O no hydrogen 2.808 N/A LYS 488.A NZ GLU 491.A OE1 no hydrogen 2.677 N/A GLU 491.A N GLU 487.A O no hydrogen 3.173 N/A ILE 492.A N LYS 488.A O no hydrogen 2.949 N/A VAL 493.A N MET 489.A O no hydrogen 2.959 N/A THR 494.A N GLY 490.A O no hydrogen 2.991 N/A THR 494.A OG1 GLY 490.A O no hydrogen 2.691 N/A ASP 495.A N GLU 491.A O no hydrogen 2.927 N/A ARG 496.A N ILE 492.A O no hydrogen 3.247 N/A ARG 496.A NE ARG 555.A O no hydrogen 2.775 N/A ARG 496.A NH2 PRO 556.A O no hydrogen 3.258 N/A LEU 497.A N VAL 493.A O no hydrogen 2.864 N/A GLU 498.A N THR 494.A O no hydrogen 2.941 N/A GLU 499.A N ASP 495.A O no hydrogen 3.000 N/A ASN 500.A N ARG 496.A O no hydrogen 2.958 N/A PHE 501.A N LEU 497.A O no hydrogen 2.694 N/A MET 505.A N PHE 501.A O no hydrogen 3.000 N/A ASN 506.A N GLU 503.A O no hydrogen 3.247 N/A TYR 507.A OH GLU 183.A OE1 no hydrogen 2.616 N/A THR 510.A N ASN 506.A O no hydrogen 3.089 N/A THR 510.A OG1 ASN 506.A O no hydrogen 3.430 N/A THR 510.A OG1 TYR 507.A O no hydrogen 2.589 N/A ALA 511.A N TYR 507.A O no hydrogen 3.013 N/A GLN 512.A N ASP 508.A O no hydrogen 2.842 N/A GLN 512.A NE2 ASP 508.A O no hydrogen 3.176 N/A MET 513.A N PHE 509.A O no hydrogen 2.989 N/A GLU 514.A N THR 510.A O no hydrogen 3.349 N/A ASN 515.A N ALA 511.A O no hydrogen 3.235 N/A SER 516.A N GLN 512.A O no hydrogen 2.896 N/A SER 516.A OG GLN 512.A O no hydrogen 3.168 N/A LEU 517.A N MET 513.A O no hydrogen 2.928 N/A ASP 518.A N GLU 514.A O no hydrogen 3.015 N/A GLN 519.A N ASN 515.A O no hydrogen 2.863 N/A VAL 520.A N SER 516.A O no hydrogen 3.029 N/A ALA 521.A N LEU 517.A O no hydrogen 3.017 N/A ASN 522.A N ASP 518.A O no hydrogen 2.987 N/A ASN 522.A ND2 ASP 518.A O no hydrogen 3.125 N/A HIS 523.A N VAL 520.A O no hydrogen 3.236 N/A GLU 524.A N GLN 519.A O no hydrogen 2.677 N/A LYS 528.A N GLU 526.A OE2 no hydrogen 3.040 N/A LYS 528.A NZ ASN 55.A O no hydrogen 2.834 N/A ALA 529.A N GLU 526.A OE1 no hydrogen 2.938 N/A VAL 530.A N GLU 526.A O no hydrogen 3.059 N/A LEU 531.A N TRP 527.A O no hydrogen 2.899 N/A ASP 532.A N LYS 528.A O no hydrogen 2.809 N/A HIS 533.A N ALA 529.A O no hydrogen 3.050 N/A PHE 534.A N VAL 530.A O no hydrogen 3.007 N/A PHE 535.A N LEU 531.A O no hydrogen 2.747 N/A SER 536.A N ASP 532.A O no hydrogen 2.820 N/A ASP 537.A N HIS 533.A O no hydrogen 3.125 N/A PHE 538.A N PHE 534.A O no hydrogen 2.902 N/A THR 539.A N PHE 535.A O no hydrogen 2.888 N/A THR 539.A OG1 PHE 535.A O no hydrogen 2.932 N/A THR 539.A OG1 SER 536.A O no hydrogen 2.963 N/A GLN 540.A N SER 536.A O no hydrogen 3.377 N/A GLN 541.A N ASP 537.A O no hydrogen 3.185 N/A LEU 542.A N PHE 538.A O no hydrogen 2.807 N/A ASP 543.A N THR 539.A O no hydrogen 2.697 N/A LYS 544.A N GLN 540.A O no hydrogen 3.299 N/A ALA 545.A N GLN 541.A O no hydrogen 3.044 N/A GLU 546.A N LEU 542.A O no hydrogen 3.105 N/A LYS 547.A N LYS 544.A O no hydrogen 3.286 N/A LYS 547.A NZ GLU 551.A OE2 no hydrogen 3.045 N/A ASP 548.A N GLU 551.A OE2 no hydrogen 3.374 N/A GLU 551.A N ASP 548.A O no hydrogen 2.965 N/A GLY 552.A N PRO 549.A O no hydrogen 3.087 N/A GLY 553.A N ASP 548.A O no hydrogen 2.872 N/A MET 554.A N ALA 545.A O no hydrogen 2.920 N/A ARG 555.A NH1 GLU 499.A OE1 no hydrogen 3.170 N/A ARG 555.A NH1 GLU 499.A OE2 no hydrogen 2.805 N/A ASN 557.A N LYS 163.A O no hydrogen 2.932 N/A