Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qlb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 203.A OD2 no hydrogen 3.155 N/A GLN 4.A N ALA 206.A O no hydrogen 2.878 N/A TYR 5.A OH ASP 7.A OD1 no hydrogen 2.642 N/A CYS 6.A N VAL 208.A O no hydrogen 3.115 N/A ASP 7.A N SER 30.A O no hydrogen 2.862 N/A ASP 7.A N SER 30.A OG no hydrogen 3.020 N/A SER 8.A N SER 30.A O no hydrogen 3.037 N/A LEU 9.A N GLY 211.A O no hydrogen 2.985 N/A VAL 10.A N ILE 32.A O no hydrogen 2.858 N/A ILE 11.A N LEU 213.A O no hydrogen 2.727 N/A GLY 12.A N LEU 34.A O no hydrogen 2.767 N/A LEU 18.A N GLY 14.A O no hydrogen 2.951 N/A ARG 19.A N LEU 15.A O no hydrogen 3.093 N/A ARG 19.A NE GLU 99.A OE1 no hydrogen 3.323 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 2.808 N/A ARG 19.A NH2 GLU 99.A OE1 no hydrogen 2.755 N/A ALA 20.A N ALA 16.A O no hydrogen 3.040 N/A ALA 21.A N GLY 17.A O no hydrogen 3.041 N/A VAL 22.A N LEU 18.A O no hydrogen 3.101 N/A ALA 23.A N ARG 19.A O no hydrogen 3.280 N/A THR 24.A N ALA 20.A O no hydrogen 3.150 N/A THR 24.A OG1 ALA 20.A O no hydrogen 3.462 N/A THR 24.A OG1 ALA 21.A O no hydrogen 3.182 N/A GLN 25.A N ALA 21.A O no hydrogen 2.914 N/A GLN 26.A N VAL 22.A O no hydrogen 2.927 N/A LYS 27.A N THR 24.A O no hydrogen 3.168 N/A LYS 27.A NZ GLU 422.A OE2 no hydrogen 3.261 N/A GLY 28.A N GLN 25.A O no hydrogen 3.083 N/A LEU 29.A N THR 24.A O no hydrogen 3.300 N/A SER 30.A N ASP 7.A OD2 no hydrogen 2.895 N/A SER 30.A OG ASP 7.A OD2 no hydrogen 3.099 N/A THR 31.A N GLN 25.A OE1 no hydrogen 3.257 N/A ILE 32.A N SER 8.A O no hydrogen 3.208 N/A VAL 33.A N SER 174.A O no hydrogen 2.781 N/A LEU 34.A N VAL 10.A O no hydrogen 2.789 N/A SER 35.A N GLN 176.A O no hydrogen 3.210 N/A SER 35.A OG ILE 37.A O no hydrogen 2.555 N/A ILE 37.A N SER 35.A OG no hydrogen 3.279 N/A LYS 40.A NZ ASN 166.A OD1 no hydrogen 3.083 N/A ARG 41.A N PRO 38.A O no hydrogen 3.022 N/A SER 42.A N VAL 39.A O no hydrogen 3.173 N/A SER 42.A OG GLY 13.A O no hydrogen 3.003 N/A SER 42.A OG VAL 39.A O no hydrogen 2.898 N/A ALA 45.A N SER 42.A O no hydrogen 3.009 N/A ALA 46.A N HIS 43.A O no hydrogen 2.958 N/A ALA 47.A N SER 44.A O no hydrogen 3.274 N/A MET 51.A N CYS 150.A O no hydrogen 2.825 N/A GLN 52.A N GLY 407.A O no hydrogen 2.871 N/A ALA 53.A N ARG 148.A O no hydrogen 3.139 N/A LEU 55.A N ALA 53.A O no hydrogen 2.900 N/A SER 58.A OG SER 61.A OG no hydrogen 2.566 N/A LYS 59.A N GLU 128.A OE1 no hydrogen 2.963 N/A LYS 59.A NZ THR 127.A O no hydrogen 2.681 N/A LYS 59.A NZ GLU 129.A OE2 no hydrogen 2.800 N/A SER 61.A N SER 58.A O no hydrogen 2.809 N/A SER 61.A OG SER 58.A OG no hydrogen 2.566 N/A SER 61.A OG TRP 147.A O no hydrogen 2.557 N/A ASP 62.A N LYS 59.A O no hydrogen 3.150 N/A ASP 64.A N SER 61.A O no hydrogen 2.977 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.581 N/A LEU 68.A N ASN 65.A OD1 no hydrogen 3.103 N/A HIS 69.A N ASN 65.A O no hydrogen 3.233 N/A PHE 70.A N GLU 66.A O no hydrogen 2.774 N/A MET 71.A N ASP 67.A O no hydrogen 2.877 N/A ASP 72.A N LEU 68.A O no hydrogen 3.142 N/A THR 73.A N HIS 69.A O no hydrogen 3.023 N/A THR 73.A OG1 HIS 69.A O no hydrogen 2.900 N/A THR 73.A OG1 ASN 408.A OD1 no hydrogen 3.188 N/A VAL 74.A N PHE 70.A O no hydrogen 2.953 N/A LYS 75.A N MET 71.A O no hydrogen 2.978 N/A GLY 76.A N ASP 72.A O no hydrogen 2.921 N/A SER 77.A N THR 73.A O no hydrogen 2.950 N/A SER 77.A OG VAL 74.A O no hydrogen 2.588 N/A ASP 78.A N LYS 75.A O no hydrogen 2.968 N/A TRP 79.A N VAL 74.A O no hydrogen 3.397 N/A TRP 79.A NE1 ILE 590.A O no hydrogen 3.022 N/A GLY 80.A N SER 77.A O no hydrogen 3.060 N/A CYS 81.A SG SER 77.A OG no hydrogen 3.432 N/A ASP 82.A N ASP 398.A O no hydrogen 2.770 N/A GLN 83.A NE2 ILE 590.A O no hydrogen 2.935 N/A ALA 86.A N ASP 82.A O no hydrogen 3.168 N/A ARG 87.A N GLN 83.A O no hydrogen 3.020 N/A ARG 87.A NE GLU 589.A OE1 no hydrogen 2.973 N/A ARG 87.A NH1 ASP 67.A OD1 no hydrogen 3.113 N/A ARG 87.A NH2 ASP 67.A OD1 no hydrogen 2.728 N/A ARG 87.A NH2 GLU 589.A OE2 no hydrogen 2.702 N/A MET 88.A N LYS 84.A O no hydrogen 3.042 N/A PHE 89.A N VAL 85.A O no hydrogen 2.948 N/A VAL 90.A N ALA 86.A O no hydrogen 2.938 N/A ASN 91.A N ARG 87.A O no hydrogen 3.150 N/A THR 92.A N MET 88.A O no hydrogen 3.251 N/A THR 92.A N PHE 89.A O no hydrogen 3.000 N/A THR 92.A OG1 MET 88.A O no hydrogen 2.880 N/A ALA 93.A N PHE 89.A O no hydrogen 2.913 N/A LYS 95.A NZ ALA 648.A O no hydrogen 3.000 N/A LYS 95.A NZ ASN 650.A OD1 no hydrogen 2.782 N/A ALA 96.A N THR 92.A O no hydrogen 3.185 N/A ALA 96.A N ALA 93.A O no hydrogen 2.993 N/A ILE 97.A N ALA 93.A O no hydrogen 3.122 N/A ARG 98.A N PRO 94.A O no hydrogen 3.168 N/A ARG 98.A NH1 GLU 651.A O no hydrogen 2.919 N/A ARG 98.A NH2 GLU 651.A O no hydrogen 2.976 N/A GLU 99.A N LYS 95.A O no hydrogen 2.928 N/A LEU 100.A N ALA 96.A O no hydrogen 3.065 N/A ALA 101.A N ILE 97.A O no hydrogen 2.956 N/A ALA 102.A N ARG 98.A O no hydrogen 3.078 N/A TRP 103.A N GLU 99.A O no hydrogen 3.003 N/A TRP 103.A N LEU 100.A O no hydrogen 3.000 N/A GLY 104.A N ALA 101.A O no hydrogen 3.024 N/A VAL 105.A N LEU 100.A O no hydrogen 3.012 N/A TRP 107.A N VAL 105.A O no hydrogen 2.843 N/A THR 108.A N TYR 151.A O no hydrogen 2.839 N/A THR 108.A OG1 TYR 151.A O no hydrogen 3.241 N/A ARG 109.A NE GLY 134.A O no hydrogen 3.022 N/A ARG 109.A NH2 GLY 134.A O no hydrogen 2.972 N/A ILE 110.A N LEU 135.A O no hydrogen 2.832 N/A HIS 111.A NE2 GLU 339.A OE2 no hydrogen 2.634 N/A GLY 113.A N GLU 128.A O no hydrogen 3.292 N/A ARG 115.A N ILE 126.A O no hydrogen 2.787 N/A THR 124.A OG1 GLN 122.A O no hydrogen 3.202 N/A ILE 126.A N ARG 115.A O no hydrogen 2.810 N/A THR 127.A OG1 ASP 114.A OD1 no hydrogen 2.545 N/A GLU 128.A N GLY 113.A O no hydrogen 2.899 N/A ARG 132.A N GLU 129.A O no hydrogen 3.317 N/A ARG 132.A NE GLU 129.A OE1 no hydrogen 2.516 N/A ARG 132.A NH1 ASN 57.A O no hydrogen 2.677 N/A ARG 132.A NH2 ASP 62.A OD1 no hydrogen 3.070 N/A HIS 133.A N ASP 130.A O no hydrogen 3.204 N/A GLY 134.A N ILE 110.A O no hydrogen 2.739 N/A LEU 135.A N ARG 132.A O no hydrogen 3.227 N/A HIS 137.A N THR 108.A O no hydrogen 2.953 N/A ARG 139.A N THR 149.A O no hydrogen 2.855 N/A THR 144.A OG1 LYS 146.A O no hydrogen 2.747 N/A LYS 146.A NZ ASP 62.A O no hydrogen 2.820 N/A TRP 147.A N MET 60.A O no hydrogen 3.071 N/A ARG 148.A NE ASP 64.A OD1 no hydrogen 3.450 N/A ARG 148.A NE ASP 64.A OD2 no hydrogen 2.833 N/A ARG 148.A NH1 GLN 52.A OE1 no hydrogen 2.661 N/A ARG 148.A NH1 ASP 72.A OD2 no hydrogen 3.024 N/A ARG 148.A NH2 ASP 64.A OD1 no hydrogen 2.830 N/A ARG 148.A NH2 ASP 72.A OD2 no hydrogen 3.254 N/A THR 149.A OG1 PHE 141.A O no hydrogen 3.348 N/A CYS 150.A N MET 51.A O no hydrogen 2.670 N/A CYS 150.A SG HIS 137.A O no hydrogen 3.889 N/A CYS 150.A SG SER 138.A OG no hydrogen 3.780 N/A CYS 150.A SG ARG 148.A O no hydrogen 3.818 N/A THR 152.A N THR 156.A OG1 no hydrogen 2.973 N/A THR 152.A OG1 THR 152.A O no hydrogen 2.480 N/A THR 152.A OG1 THR 159.A OG1 no hydrogen 2.820 N/A ALA 153.A N THR 108.A OG1 no hydrogen 2.878 N/A ASP 154.A N ASP 154.A OD1 no hydrogen 2.612 N/A ALA 155.A N THR 152.A O no hydrogen 3.128 N/A GLY 157.A N ALA 47.A O no hydrogen 2.781 N/A THR 159.A N ALA 155.A O no hydrogen 3.087 N/A THR 159.A OG1 THR 152.A OG1 no hydrogen 2.820 N/A THR 159.A OG1 ALA 155.A O no hydrogen 3.560 N/A THR 159.A OG1 THR 156.A O no hydrogen 3.222 N/A MET 160.A N THR 156.A O no hydrogen 3.079 N/A LEU 161.A N GLY 157.A O no hydrogen 2.896 N/A PHE 162.A N HIS 158.A O no hydrogen 3.054 N/A ALA 163.A N THR 159.A O no hydrogen 3.143 N/A VAL 164.A N MET 160.A O no hydrogen 3.116 N/A ALA 165.A N LEU 161.A O no hydrogen 2.934 N/A ASN 166.A N PHE 162.A O no hydrogen 2.841 N/A GLU 167.A N ALA 163.A O no hydrogen 2.986 N/A CYS 168.A N VAL 164.A O no hydrogen 3.160 N/A CYS 168.A SG LEU 18.A O no hydrogen 3.305 N/A CYS 168.A SG VAL 164.A O no hydrogen 3.502 N/A LEU 169.A N ALA 165.A O no hydrogen 3.058 N/A LYS 170.A N ASN 166.A O no hydrogen 2.853 N/A LYS 170.A NZ GLU 167.A OE1 no hydrogen 2.933 N/A LEU 171.A N GLU 167.A O no hydrogen 3.002 N/A GLY 172.A N LEU 169.A O no hydrogen 3.000 N/A VAL 173.A N CYS 168.A O no hydrogen 2.918 N/A SER 174.A N THR 31.A O no hydrogen 3.071 N/A GLN 176.A N VAL 33.A O no hydrogen 2.921 N/A GLN 176.A NE2 SER 174.A OG no hydrogen 3.132 N/A LYS 179.A N SER 35.A O no hydrogen 3.030 N/A LYS 179.A NZ ASP 198.A OD2 no hydrogen 2.959 N/A GLU 180.A N ARG 197.A O no hydrogen 2.887 N/A ILE 182.A N VAL 195.A O no hydrogen 3.045 N/A ILE 185.A N GLY 193.A O no hydrogen 2.862 N/A GLN 187.A N LYS 190.A O no hydrogen 2.972 N/A GLN 187.A NE2 GLU 436.A OE2 no hydrogen 2.999 N/A LYS 190.A N GLN 187.A O no hydrogen 2.913 N/A CYS 191.A N LYS 386.A O no hydrogen 2.719 N/A CYS 191.A SG ILE 185.A O no hydrogen 3.824 N/A CYS 191.A SG GLY 193.A O no hydrogen 3.799 N/A TYR 192.A N ILE 185.A O no hydrogen 2.848 N/A ALA 194.A N TYR 207.A O no hydrogen 2.883 N/A VAL 195.A N ALA 183.A O no hydrogen 2.804 N/A VAL 196.A N ILE 205.A O no hydrogen 2.578 N/A ARG 197.A N GLU 180.A O no hydrogen 2.805 N/A ARG 197.A NH1 TYR 521.A OH no hydrogen 3.177 N/A ARG 197.A NH2 LEU 511.A O no hydrogen 2.734 N/A ASP 198.A N ASP 203.A O no hydrogen 2.847 N/A LEU 199.A N ARG 178.A O no hydrogen 2.982 N/A VAL 200.A N ASP 198.A OD1 no hydrogen 2.865 N/A THR 201.A N ASP 198.A OD1 no hydrogen 3.078 N/A THR 201.A OG1 ASP 203.A OD2 no hydrogen 2.832 N/A GLY 202.A N ASP 198.A O no hydrogen 2.700 N/A ASP 203.A N THR 201.A OG1 no hydrogen 3.267 N/A ILE 205.A N VAL 196.A O no hydrogen 2.686 N/A ALA 206.A N LYS 2.A O no hydrogen 3.164 N/A TYR 207.A N ALA 194.A O no hydrogen 2.816 N/A TYR 207.A OH GLN 176.A OE1 no hydrogen 2.486 N/A VAL 208.A N GLN 4.A O no hydrogen 2.857 N/A ALA 209.A N TYR 192.A O no hydrogen 3.088 N/A LYS 210.A N ASP 7.A O no hydrogen 3.174 N/A LYS 210.A NZ CYS 428.A O no hydrogen 3.242 N/A LYS 210.A NZ THR 431.A O no hydrogen 2.879 N/A THR 212.A N GLY 387.A O no hydrogen 2.867 N/A LEU 213.A N LEU 9.A O no hydrogen 2.822 N/A ILE 214.A N PHE 389.A O no hydrogen 2.736 N/A ALA 215.A N ILE 11.A O no hydrogen 2.775 N/A TYR 219.A N SER 371.A OG no hydrogen 3.241 N/A TYR 219.A OH MET 251.A O no hydrogen 2.884 N/A ARG 221.A N CYS 232.A O no hydrogen 2.968 N/A ARG 221.A NH1 ASN 228.A O no hydrogen 2.613 N/A ILE 222.A N TYR 219.A O no hydrogen 3.233 N/A TYR 223.A N GLY 220.A O no hydrogen 2.997 N/A TYR 223.A OH VAL 478.A O no hydrogen 2.841 N/A LYS 224.A NZ ASP 472.A OD1 no hydrogen 2.789 N/A ASN 225.A N ASP 475.A OD2 no hydrogen 2.640 N/A THR 226.A OG1 GLN 368.A O no hydrogen 3.354 N/A THR 227.A N GLN 368.A O no hydrogen 2.971 N/A THR 227.A OG1 GLN 368.A O no hydrogen 3.538 N/A THR 227.A OG1 HIS 369.A ND1 no hydrogen 2.603 N/A ASN 228.A N THR 226.A OG1 no hydrogen 2.976 N/A ASN 228.A ND2 THR 227.A OG1 no hydrogen 3.343 N/A ASN 228.A ND2 HIS 369.A O no hydrogen 2.910 N/A ALA 229.A N HIS 43.A ND1 no hydrogen 3.258 N/A CYS 232.A N ALA 229.A O no hydrogen 3.210 N/A CYS 232.A SG ALA 229.A O no hydrogen 3.701 N/A GLU 233.A N VAL 231.A O no hydrogen 2.926 N/A ALA 238.A N GLY 234.A O no hydrogen 2.959 N/A ILE 239.A N THR 235.A O no hydrogen 2.944 N/A LEU 241.A N THR 237.A O no hydrogen 3.023 N/A GLU 242.A N ALA 238.A O no hydrogen 2.730 N/A THR 243.A N ALA 240.A O no hydrogen 3.252 N/A THR 243.A OG1 ALA 240.A O no hydrogen 2.714 N/A GLY 244.A N LEU 241.A O no hydrogen 3.093 N/A ILE 245.A N THR 243.A OG1 no hydrogen 3.197 N/A ALA 246.A N THR 243.A OG1 no hydrogen 3.107 N/A LEU 248.A N ALA 566.A O no hydrogen 2.791 N/A GLY 249.A N GLY 374.A O no hydrogen 2.695 N/A ASN 250.A N THR 564.A O no hydrogen 2.907 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.824 N/A ALA 253.A N ASN 250.A O no hydrogen 2.892 N/A GLN 255.A N TYR 370.A O no hydrogen 3.011 N/A GLN 255.A NE2 ARG 404.A O no hydrogen 2.852 N/A HIS 257.A N MET 367.A O no hydrogen 2.824 N/A LEU 261.A N ILE 266.A O no hydrogen 2.798 N/A PHE 262.A N PRO 363.A O no hydrogen 2.785 N/A GLY 265.A N LEU 261.A O no hydrogen 2.813 N/A ILE 266.A N SER 264.A OG no hydrogen 3.023 N/A CYS 272.A N THR 269.A O no hydrogen 3.241 N/A CYS 272.A SG THR 269.A O no hydrogen 3.009 N/A CYS 272.A SG THR 269.A OG1 no hydrogen 3.133 N/A CYS 272.A SG GLU 270.A O no hydrogen 3.821 N/A ILE 278.A N ASP 329.A O no hydrogen 2.681 N/A ARG 280.A N TRP 327.A O no hydrogen 2.953 N/A ARG 280.A NE ASP 329.A OD2 no hydrogen 3.092 N/A ARG 280.A NH1 GLY 284.A O no hydrogen 2.833 N/A ARG 280.A NH2 ASP 329.A OD2 no hydrogen 3.307 N/A ASP 281.A N HIS 285.A O no hydrogen 2.982 N/A VAL 282.A N LYS 316.A O no hydrogen 3.055 N/A ASP 283.A N ASP 281.A OD1 no hydrogen 2.711 N/A GLY 284.A N ASP 281.A O no hydrogen 3.043 N/A HIS 285.A N ASP 281.A OD1 no hydrogen 3.006 N/A HIS 285.A NE2 ASP 290.A OD2 no hydrogen 2.646 N/A ARG 286.A NE GLU 297.A OE1 no hydrogen 3.337 N/A ARG 286.A NE GLU 297.A OE2 no hydrogen 2.705 N/A ARG 286.A NH2 GLU 297.A OE1 no hydrogen 2.596 N/A ASP 290.A N PHE 287.A O no hydrogen 2.824 N/A TYR 291.A N MET 288.A O no hydrogen 3.228 N/A TYR 291.A OH HIS 311.A ND1 no hydrogen 2.654 N/A GLU 292.A N MET 288.A O no hydrogen 2.844 N/A LYS 296.A N GLU 292.A O no hydrogen 2.758 N/A LEU 298.A N LYS 295.A O no hydrogen 2.954 N/A ALA 299.A N LYS 296.A O no hydrogen 3.217 N/A VAL 304.A N SER 300.A O no hydrogen 2.901 N/A SER 305.A N ARG 301.A O no hydrogen 3.094 N/A SER 305.A OG ARG 301.A O no hydrogen 3.314 N/A ARG 307.A N VAL 303.A O no hydrogen 2.983 N/A ARG 307.A NE GLU 292.A OE2 no hydrogen 2.754 N/A ARG 307.A NH1 GLU 310.A OE1 no hydrogen 3.144 N/A ARG 307.A NH2 GLU 292.A OE2 no hydrogen 2.611 N/A MET 308.A N VAL 304.A O no hydrogen 2.976 N/A ILE 309.A N SER 305.A O no hydrogen 3.132 N/A GLU 310.A N ARG 306.A O no hydrogen 2.805 N/A HIS 311.A N ARG 307.A O no hydrogen 2.803 N/A HIS 311.A ND1 TYR 291.A OH no hydrogen 2.654 N/A HIS 311.A NE2 ASP 281.A OD2 no hydrogen 2.777 N/A ILE 312.A N MET 308.A O no hydrogen 3.159 N/A ARG 313.A N ILE 309.A O no hydrogen 2.923 N/A ARG 313.A NH1 GLU 550.A OE2 no hydrogen 3.091 N/A ARG 313.A NH2 GLU 550.A OE1 no hydrogen 2.923 N/A ARG 313.A NH2 GLU 550.A OE2 no hydrogen 3.489 N/A LYS 314.A N HIS 311.A O no hydrogen 3.283 N/A LYS 314.A NZ TYR 291.A OH no hydrogen 2.593 N/A LYS 314.A NZ HIS 311.A ND1 no hydrogen 3.309 N/A GLY 315.A N ILE 312.A O no hydrogen 2.877 N/A LYS 316.A N HIS 311.A O no hydrogen 3.290 N/A LYS 316.A NZ ASP 283.A OD2 no hydrogen 3.319 N/A VAL 318.A N HIS 325.A O no hydrogen 2.800 N/A GLN 319.A NE2 GLY 317.A O no hydrogen 3.604 N/A SER 320.A OG GLY 323.A O no hydrogen 2.586 N/A GLY 323.A N SER 320.A O no hydrogen 3.092 N/A HIS 325.A N VAL 318.A O no hydrogen 3.036 N/A LEU 326.A N VAL 364.A O no hydrogen 2.814 N/A TRP 327.A N ARG 280.A O no hydrogen 2.899 N/A LEU 328.A N ALA 362.A O no hydrogen 2.706 N/A ASP 329.A N ILE 278.A O no hydrogen 2.758 N/A SER 331.A N ASP 329.A OD1 no hydrogen 3.046 N/A SER 331.A OG ASP 329.A OD1 no hydrogen 2.581 N/A LEU 333.A N ILE 330.A O no hydrogen 2.802 N/A THR 340.A OG1 ASN 341.A OD1 no hydrogen 3.201 N/A GLU 347.A N ASP 344.A O no hydrogen 2.723 N/A CYS 349.A N VAL 345.A O no hydrogen 3.209 N/A CYS 349.A SG GLU 270.A OE2 no hydrogen 3.500 N/A CYS 349.A SG VAL 345.A O no hydrogen 3.867 N/A GLU 350.A N GLN 346.A O no hydrogen 2.841 N/A TYR 351.A N GLU 347.A O no hydrogen 2.673 N/A TYR 351.A OH GLU 347.A OE1 no hydrogen 3.418 N/A PHE 352.A N ILE 348.A O no hydrogen 2.988 N/A ILE 355.A N CYS 349.A O no hydrogen 2.923 N/A GLU 359.A N ASP 356.A O no hydrogen 2.749 N/A LYS 360.A N ASP 356.A O no hydrogen 3.094 N/A ALA 362.A N LEU 328.A O no hydrogen 2.859 N/A VAL 364.A N LEU 326.A O no hydrogen 3.063 N/A MET 367.A N HIS 257.A O no hydrogen 3.003 N/A GLN 368.A N ASN 225.A O no hydrogen 3.180 N/A HIS 369.A N GLN 255.A O no hydrogen 2.805 N/A HIS 369.A ND1 THR 227.A OG1 no hydrogen 2.603 N/A TYR 370.A N GLN 255.A O no hydrogen 3.136 N/A TYR 370.A OH HIS 400.A NE2 no hydrogen 3.148 N/A SER 371.A N GLU 393.A OE2 no hydrogen 2.851 N/A MET 372.A N ALA 253.A O no hydrogen 3.248 N/A GLY 374.A N GLY 249.A O no hydrogen 3.170 N/A ILE 375.A N ALA 394.A O no hydrogen 2.750 N/A ARG 376.A N GLN 247.A O no hydrogen 2.742 N/A ARG 376.A NH1 ASP 82.A OD2 no hydrogen 3.035 N/A ARG 376.A NH1 CYS 396.A O no hydrogen 2.988 N/A ARG 376.A NH1 TRP 397.A O no hydrogen 3.337 N/A ARG 376.A NH2 ASP 82.A OD2 no hydrogen 3.182 N/A ARG 376.A NH2 GLU 581.A OE2 no hydrogen 3.370 N/A THR 377.A OG1 ASP 378.A O no hydrogen 2.924 N/A ASP 378.A N GLU 382.A O no hydrogen 2.910 N/A ARG 380.A N ASP 378.A OD1 no hydrogen 2.900 N/A ARG 380.A NH1 ASP 378.A OD2 no hydrogen 2.942 N/A ARG 380.A NH1 GLU 382.A OE1 no hydrogen 2.993 N/A ARG 380.A NH2 GLU 382.A OE1 no hydrogen 3.563 N/A GLY 381.A N ASP 378.A O no hydrogen 2.986 N/A GLU 382.A N ASP 378.A OD1 no hydrogen 2.980 N/A ALA 383.A N LEU 388.A O no hydrogen 2.778 N/A LYS 386.A N GLY 189.A O no hydrogen 3.034 N/A LYS 386.A NZ GLU 382.A OE1 no hydrogen 3.524 N/A GLY 387.A N GLU 382.A OE2 no hydrogen 2.799 N/A LEU 388.A N LEU 385.A O no hydrogen 3.116 N/A PHE 389.A N THR 212.A O no hydrogen 2.694 N/A SER 390.A N GLY 381.A O no hydrogen 2.898 N/A SER 390.A OG ILE 214.A O no hydrogen 2.921 N/A ALA 391.A N ILE 214.A O no hydrogen 3.225 N/A ALA 395.A N GLY 392.A O no hydrogen 2.998 N/A CYS 396.A N ILE 375.A O no hydrogen 2.801 N/A TRP 397.A NE1 TYR 379.A O no hydrogen 2.960 N/A HIS 400.A NE2 GLU 412.A OE1 no hydrogen 2.810 N/A GLY 401.A N ASP 398.A OD1 no hydrogen 2.860 N/A PHE 402.A N SER 77.A O no hydrogen 3.156 N/A ASN 403.A N HIS 400.A O no hydrogen 3.108 N/A ARG 404.A NE GLN 255.A OE1 no hydrogen 2.863 N/A ARG 404.A NH1 SER 409.A OG no hydrogen 2.683 N/A ARG 404.A NH2 GLN 255.A OE1 no hydrogen 2.884 N/A ASN 408.A N LEU 405.A O no hydrogen 2.838 N/A ASN 408.A ND2 HIS 69.A NE2 no hydrogen 3.051 N/A SER 411.A OG GLN 52.A O no hydrogen 2.966 N/A GLU 412.A N ASN 408.A O no hydrogen 2.734 N/A ALA 413.A N SER 409.A O no hydrogen 3.098 N/A VAL 414.A N VAL 410.A O no hydrogen 3.496 N/A VAL 415.A N SER 411.A O no hydrogen 2.883 N/A ALA 416.A N GLU 412.A O no hydrogen 2.602 N/A GLY 417.A N ALA 413.A O no hydrogen 3.011 N/A MET 418.A N VAL 414.A O no hydrogen 2.964 N/A ILE 419.A N VAL 415.A O no hydrogen 2.944 N/A VAL 420.A N ALA 416.A O no hydrogen 2.816 N/A GLU 422.A N MET 418.A O no hydrogen 3.159 N/A TYR 423.A N ILE 419.A O no hydrogen 3.209 N/A PHE 424.A N VAL 420.A O no hydrogen 2.716 N/A ALA 425.A N GLY 421.A O no hydrogen 2.844 N/A GLU 426.A N GLU 422.A O no hydrogen 2.927 N/A HIS 427.A N TYR 423.A O no hydrogen 2.890 N/A HIS 427.A NE2 LYS 210.A O no hydrogen 2.899 N/A CYS 428.A N PHE 424.A O no hydrogen 2.919 N/A CYS 428.A SG ASP 7.A O no hydrogen 3.537 N/A CYS 428.A SG SER 8.A OG no hydrogen 3.380 N/A CYS 428.A SG PHE 424.A O no hydrogen 3.276 N/A ALA 429.A N ALA 425.A O no hydrogen 2.909 N/A ASN 430.A N GLU 426.A O no hydrogen 2.971 N/A THR 431.A N HIS 427.A O no hydrogen 2.874 N/A THR 439.A N GLU 436.A O no hydrogen 3.074 N/A THR 439.A OG1 GLN 187.A OE1 no hydrogen 2.598 N/A LEU 440.A N GLU 436.A O no hydrogen 3.046 N/A GLU 441.A N THR 437.A O no hydrogen 2.843 N/A LYS 442.A N LYS 438.A O no hydrogen 3.227 N/A PHE 443.A N THR 439.A O no hydrogen 3.240 N/A VAL 444.A N LEU 440.A O no hydrogen 2.954 N/A LYS 445.A N GLU 441.A O no hydrogen 2.859 N/A GLY 446.A N LYS 442.A O no hydrogen 2.873 N/A GLN 447.A N PHE 443.A O no hydrogen 3.175 N/A GLU 448.A N VAL 444.A O no hydrogen 3.086 N/A ALA 449.A N LYS 445.A O no hydrogen 2.920 N/A TYR 450.A N GLY 446.A O no hydrogen 3.060 N/A MET 451.A N GLN 447.A O no hydrogen 2.899 N/A LYS 452.A N GLU 448.A O no hydrogen 2.976 N/A LYS 452.A NZ GLU 456.A OE1 no hydrogen 3.022 N/A SER 453.A N ALA 449.A O no hydrogen 2.878 N/A SER 453.A OG ALA 449.A O no hydrogen 3.479 N/A SER 453.A OG TYR 450.A O no hydrogen 2.680 N/A LEU 454.A N TYR 450.A O no hydrogen 3.113 N/A VAL 455.A N MET 451.A O no hydrogen 3.167 N/A GLU 456.A N LYS 452.A O no hydrogen 2.896 N/A SER 457.A OG VAL 504.A O no hydrogen 2.570 N/A GLY 459.A N SER 457.A OG no hydrogen 3.044 N/A GLU 461.A N ASN 503.A O no hydrogen 3.092 N/A LYS 465.A N ASP 462.A OD1 no hydrogen 2.943 N/A ILE 466.A N ASP 462.A O no hydrogen 3.165 N/A LYS 467.A N VAL 463.A O no hydrogen 2.915 N/A LYS 467.A NZ GLU 233.A OE2 no hydrogen 2.953 N/A LYS 467.A NZ GLU 519.A OE1 no hydrogen 2.709 N/A LYS 467.A NZ GLU 519.A OE2 no hydrogen 3.463 N/A ASN 468.A N PHE 464.A O no hydrogen 2.945 N/A ARG 469.A N LYS 465.A O no hydrogen 2.922 N/A ARG 469.A NE GLU 493.A OE2 no hydrogen 2.382 N/A ARG 469.A NH2 GLU 493.A OE1 no hydrogen 3.009 N/A ARG 469.A NH2 GLU 493.A OE2 no hydrogen 2.853 N/A MET 470.A N ILE 466.A O no hydrogen 3.095 N/A LYS 471.A N LYS 467.A O no hydrogen 3.192 N/A LYS 471.A NZ ARG 221.A O no hydrogen 2.939 N/A ASP 472.A N ASN 468.A O no hydrogen 3.171 N/A VAL 473.A N ARG 469.A O no hydrogen 3.112 N/A MET 474.A N MET 470.A O no hydrogen 3.011 N/A ASP 475.A N LYS 471.A O no hydrogen 3.055 N/A ASP 476.A N ASP 472.A O no hydrogen 2.801 N/A ASN 477.A N VAL 473.A O no hydrogen 2.946 N/A ASN 477.A ND2 VAL 473.A O no hydrogen 3.231 N/A VAL 478.A N MET 474.A O no hydrogen 2.822 N/A ARG 482.A N ASN 548.A O no hydrogen 2.833 N/A ARG 482.A NE GLY 479.A O no hydrogen 2.871 N/A ARG 482.A NH1 GLU 252.A O no hydrogen 3.031 N/A ARG 482.A NH2 VAL 478.A O no hydrogen 3.173 N/A GLY 484.A N ASP 551.A OD2 no hydrogen 2.835 N/A HIS 486.A N ASP 483.A OD1 no hydrogen 2.848 N/A HIS 486.A ND1 ASP 483.A OD1 no hydrogen 2.829 N/A HIS 486.A ND1 ASP 483.A OD2 no hydrogen 2.595 N/A LEU 487.A N ASP 483.A O no hydrogen 3.028 N/A GLU 488.A N GLY 484.A O no hydrogen 2.844 N/A LYS 489.A N PRO 485.A O no hydrogen 3.338 N/A SER 490.A N HIS 486.A O no hydrogen 2.950 N/A SER 490.A OG HIS 486.A O no hydrogen 3.363 N/A SER 490.A OG LEU 487.A O no hydrogen 2.720 N/A VAL 491.A N LEU 487.A O no hydrogen 2.925 N/A LYS 492.A N GLU 488.A O no hydrogen 3.208 N/A GLU 493.A N LYS 489.A O no hydrogen 2.940 N/A LEU 494.A N SER 490.A O no hydrogen 2.790 N/A GLU 495.A N VAL 491.A O no hydrogen 3.060 N/A GLU 496.A N LYS 492.A O no hydrogen 3.133 N/A LEU 497.A N GLU 493.A O no hydrogen 2.736 N/A TYR 498.A N LEU 494.A O no hydrogen 2.726 N/A LYS 499.A N GLU 495.A O no hydrogen 3.184 N/A LYS 500.A N GLU 496.A O no hydrogen 3.157 N/A SER 501.A N LEU 497.A O no hydrogen 2.977 N/A SER 501.A OG TYR 498.A O no hydrogen 2.583 N/A ASN 503.A N LYS 500.A O no hydrogen 2.907 N/A GLY 505.A N GLU 461.A O no hydrogen 3.212 N/A LYS 507.A N GLU 516.A OE2 no hydrogen 2.989 N/A ASN 508.A N GLU 516.A OE1 no hydrogen 2.917 N/A ASN 508.A ND2 GLU 516.A OE1 no hydrogen 2.759 N/A LYS 509.A NZ VAL 455.A O no hydrogen 3.356 N/A LYS 509.A NZ ILE 506.A O no hydrogen 2.770 N/A ARG 510.A NE ALA 513.A O no hydrogen 3.047 N/A ARG 510.A NH2 ALA 513.A O no hydrogen 2.955 N/A ALA 513.A N VAL 200.A O no hydrogen 3.034 N/A ASN 514.A ND2 ASN 508.A O no hydrogen 2.949 N/A ASN 514.A ND2 ARG 510.A O no hydrogen 2.913 N/A LEU 517.A N ASN 514.A OD1 no hydrogen 2.903 N/A GLU 518.A N ASN 514.A O no hydrogen 3.089 N/A GLU 519.A N PRO 515.A O no hydrogen 3.247 N/A ALA 520.A N GLU 516.A O no hydrogen 3.197 N/A TYR 521.A N LEU 517.A O no hydrogen 3.342 N/A TYR 521.A N GLU 518.A O no hydrogen 3.270 N/A TYR 521.A OH GLU 180.A OE1 no hydrogen 2.533 N/A ARG 522.A N GLU 518.A O no hydrogen 2.975 N/A ARG 522.A NH1 GLU 180.A OE1 no hydrogen 2.971 N/A ARG 522.A NH1 GLU 180.A OE2 no hydrogen 3.260 N/A ARG 522.A NH2 GLU 518.A OE1 no hydrogen 3.060 N/A VAL 523.A N GLU 519.A O no hydrogen 2.938 N/A MET 526.A N ARG 522.A O no hydrogen 2.876 N/A LEU 527.A N VAL 523.A O no hydrogen 2.859 N/A LYS 528.A N PRO 524.A O no hydrogen 3.199 N/A LYS 528.A NZ GLU 242.A OE2 no hydrogen 3.265 N/A LYS 528.A NZ TYR 498.A OH no hydrogen 3.475 N/A VAL 529.A N MET 525.A O no hydrogen 3.151 N/A ALA 530.A N MET 526.A O no hydrogen 2.792 N/A LEU 531.A N LEU 527.A O no hydrogen 2.924 N/A CYS 532.A N LYS 528.A O no hydrogen 3.196 N/A CYS 532.A SG LYS 528.A O no hydrogen 3.351 N/A VAL 533.A N VAL 529.A O no hydrogen 3.169 N/A ALA 534.A N ALA 530.A O no hydrogen 2.832 N/A LYS 535.A N LEU 531.A O no hydrogen 2.860 N/A GLY 536.A N CYS 532.A O no hydrogen 2.978 N/A ALA 537.A N VAL 533.A O no hydrogen 2.893 N/A LEU 538.A N ALA 534.A O no hydrogen 2.941 N/A ASP 539.A N LYS 535.A O no hydrogen 3.052 N/A ARG 540.A N GLY 536.A O no hydrogen 3.213 N/A ARG 540.A NE GLU 542.A OE2 no hydrogen 3.036 N/A ARG 540.A NH1 GLU 252.A OE2 no hydrogen 3.331 N/A ARG 540.A NH2 GLU 542.A OE2 no hydrogen 3.337 N/A ARG 540.A NH2 ASN 562.A O no hydrogen 2.967 N/A SER 543.A N LYS 554.A O no hydrogen 2.997 N/A SER 543.A OG TYR 552.A O no hydrogen 2.688 N/A ARG 544.A N HIS 547.A O no hydrogen 2.790 N/A ARG 544.A NH1 GLU 542.A OE1 no hydrogen 2.828 N/A ARG 544.A NH1 GLU 542.A OE2 no hydrogen 3.291 N/A ARG 544.A NH2 ASP 557.A OD1 no hydrogen 2.840 N/A GLY 545.A N ASP 78.A OD2 no hydrogen 2.852 N/A ALA 546.A N PHE 402.A O no hydrogen 2.699 N/A HIS 547.A N ARG 544.A O no hydrogen 2.859 N/A ASN 548.A ND2 ILE 480.A O no hydrogen 2.932 N/A ARG 549.A N SER 543.A OG no hydrogen 2.919 N/A ARG 549.A NE ASP 551.A OD1 no hydrogen 2.827 N/A ARG 549.A NH1 ALA 537.A O no hydrogen 3.082 N/A ARG 549.A NH1 LEU 538.A O no hydrogen 2.815 N/A ARG 549.A NH2 ASP 551.A OD2 no hydrogen 2.663 N/A GLU 550.A N ARG 482.A O no hydrogen 2.785 N/A ASP 551.A N ASP 551.A OD1 no hydrogen 2.459 N/A TYR 552.A N ARG 549.A O no hydrogen 3.052 N/A ARG 555.A N ASN 602.A O no hydrogen 3.033 N/A ARG 555.A NE ASP 557.A OD1 no hydrogen 2.839 N/A ARG 555.A NE ASP 557.A OD2 no hydrogen 3.389 N/A ARG 555.A NH1 ASP 78.A OD1 no hydrogen 2.956 N/A ARG 555.A NH1 ARG 593.A O no hydrogen 2.883 N/A ARG 555.A NH2 ASP 557.A OD2 no hydrogen 2.629 N/A ARG 555.A NH2 ARG 593.A O no hydrogen 3.075 N/A ASP 556.A N GLU 542.A OE1 no hydrogen 2.885 N/A ASP 557.A N ILE 604.A O no hydrogen 3.182 N/A ILE 558.A N ASP 556.A OD1 no hydrogen 2.833 N/A ASN 559.A N ASP 556.A OD1 no hydrogen 2.890 N/A ASN 559.A ND2 ASP 556.A OD2 no hydrogen 3.062 N/A TRP 560.A N ASP 556.A O no hydrogen 2.930 N/A ARG 563.A N GLU 581.A O no hydrogen 2.717 N/A ARG 563.A NE ASP 398.A OD2 no hydrogen 2.562 N/A ARG 563.A NH1 ASP 82.A OD1 no hydrogen 3.226 N/A ARG 563.A NH1 GLU 581.A OE1 no hydrogen 2.648 N/A ARG 563.A NH2 ASP 82.A OD1 no hydrogen 2.955 N/A ARG 563.A NH2 ASP 398.A OD2 no hydrogen 2.718 N/A THR 564.A N ASN 250.A OD1 no hydrogen 2.919 N/A THR 564.A OG1 GLU 252.A OE2 no hydrogen 2.581 N/A LEU 565.A N GLU 579.A O no hydrogen 2.828 N/A ALA 566.A N LEU 248.A O no hydrogen 2.765 N/A SER 567.A N THR 577.A O no hydrogen 3.013 N/A SER 567.A OG THR 577.A O no hydrogen 3.457 N/A GLU 572.A N ASN 570.A OD1 no hydrogen 2.584 N/A GLN 573.A N ASN 570.A O no hydrogen 2.927 N/A GLN 573.A NE2 ASN 570.A O no hydrogen 3.407 N/A THR 574.A OG1 GLU 495.A OE2 no hydrogen 2.439 N/A THR 577.A N SER 567.A O no hydrogen 2.923 N/A THR 577.A OG1 GLN 573.A OE1 no hydrogen 3.163 N/A GLU 579.A N LEU 565.A O no hydrogen 2.882 N/A GLU 581.A N ARG 563.A O no hydrogen 2.919 N/A LEU 583.A N LEU 561.A O no hydrogen 3.049 N/A ASN 586.A N ASP 584.A OD1 no hydrogen 2.778 N/A GLU 587.A N ASP 584.A O no hydrogen 3.016 N/A MET 588.A N VAL 585.A O no hydrogen 3.122 N/A GLU 589.A N GLN 83.A OE1 no hydrogen 2.874 N/A ILE 590.A N GLN 83.A OE1 no hydrogen 2.908 N/A TYR 594.A OH GLY 598.A O no hydrogen 2.655 N/A ARG 595.A NE TYR 597.A O no hydrogen 2.735 N/A ARG 595.A NH1 ASP 78.A OD2 no hydrogen 3.247 N/A TYR 597.A OH GLY 76.A O no hydrogen 2.935 N/A TYR 597.A OH ASN 403.A OD1 no hydrogen 3.116 N/A ASN 602.A ND2 PRO 553.A O no hydrogen 2.807 N/A ILE 604.A N ARG 555.A O no hydrogen 2.707 N/A ASN 606.A ND2 ASP 557.A O no hydrogen 2.804 N/A LEU 608.A N ASN 606.A OD1 no hydrogen 2.707 N/A SER 609.A N ASN 606.A O no hydrogen 2.712 N/A LYS 611.A N PRO 607.A O no hydrogen 3.207 N/A ARG 612.A N LEU 608.A O no hydrogen 2.840 N/A ARG 612.A NE MET 588.A O no hydrogen 2.935 N/A ARG 612.A NH1 GLU 615.A OE1 no hydrogen 2.671 N/A ARG 612.A NH2 MET 588.A O no hydrogen 2.691 N/A ARG 612.A NH2 LEU 637.A O no hydrogen 2.851 N/A GLN 613.A N SER 609.A O no hydrogen 2.864 N/A GLU 614.A N VAL 610.A O no hydrogen 3.089 N/A GLU 615.A N LYS 611.A O no hydrogen 3.235 N/A ILE 616.A N ARG 612.A O no hydrogen 2.928 N/A ASP 617.A N GLN 613.A O no hydrogen 2.940 N/A LYS 618.A N GLU 614.A O no hydrogen 2.877 N/A ILE 619.A N GLU 615.A O no hydrogen 2.829 N/A GLN 620.A N ILE 616.A O no hydrogen 2.965 N/A SER 621.A N ASP 617.A O no hydrogen 3.106 N/A SER 621.A OG ASP 617.A O no hydrogen 3.302 N/A SER 621.A OG LYS 618.A O no hydrogen 2.844 N/A GLU 622.A N LYS 618.A O no hydrogen 3.140 N/A LEU 623.A N ILE 619.A O no hydrogen 3.394 N/A GLU 624.A N GLN 620.A O no hydrogen 2.817 N/A ALA 625.A N SER 621.A O no hydrogen 2.970 N/A ALA 625.A N GLU 622.A O no hydrogen 2.703 N/A ALA 626.A N GLU 622.A O no hydrogen 3.060 N/A GLY 627.A N GLU 624.A O no hydrogen 3.124 N/A LYS 628.A N LEU 623.A O no hydrogen 2.946 N/A ARG 630.A NH1 GLU 66.A OE1 no hydrogen 3.508 N/A ARG 630.A NH1 ASP 67.A OD2 no hydrogen 3.010 N/A ARG 630.A NH2 GLU 66.A OE1 no hydrogen 2.877 N/A ALA 632.A N ASP 629.A O no hydrogen 2.989 N/A ALA 632.A N ASP 629.A OD1 no hydrogen 2.811 N/A ILE 633.A N ASP 629.A O no hydrogen 2.998 N/A GLN 634.A N ARG 630.A O no hydrogen 2.960 N/A GLN 634.A NE2 GLU 589.A OE1 no hydrogen 2.718 N/A GLN 634.A NE2 MET 638.A O no hydrogen 2.830 N/A GLU 635.A N HIS 631.A O no hydrogen 3.180 N/A ALA 636.A N ALA 632.A O no hydrogen 3.112 N/A LEU 637.A N ILE 633.A O no hydrogen 3.017 N/A LEU 637.A N GLN 634.A O no hydrogen 3.061 N/A MET 638.A N GLN 634.A O no hydrogen 2.911 N/A TYR 646.A N PRO 643.A O no hydrogen 2.930 N/A LYS 647.A N ALA 644.A O no hydrogen 3.328 N/A ASN 650.A ND2 GLU 66.A OE2 no hydrogen 2.768 N/A ASN 650.A ND2 ASN 91.A O no hydrogen 2.836 N/A ARG 652.A N ASP 655.A OD2 no hydrogen 2.666 N/A ARG 652.A NE SER 54.A O no hydrogen 2.677 N/A ARG 652.A NH1 GLU 66.A OE2 no hydrogen 3.050 N/A ARG 652.A NH2 SER 54.A O no hydrogen 2.951 N/A ARG 652.A NH2 SER 54.A OG no hydrogen 2.898 N/A