Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j0j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N HIS 24.A O no hydrogen 3.152 N/A VAL 5.A N SER 20.A O no hydrogen 3.048 N/A PHE 6.A N TYR 88.A O no hydrogen 2.767 N/A HIS 7.A N TRP 18.A O no hydrogen 2.929 N/A TYR 8.A OH GLU 89.A OE2 no hydrogen 3.194 N/A SER 13.A N ASN 11.A O no hydrogen 2.723 N/A SER 13.A OG GLU 14.A O no hydrogen 3.419 N/A THR 17.A N GLU 14.A O no hydrogen 3.021 N/A THR 17.A OG1 GLU 14.A O no hydrogen 3.172 N/A TRP 18.A N PRO 15.A O no hydrogen 3.178 N/A TRP 18.A NE1 SER 13.A O no hydrogen 3.135 N/A SER 20.A N VAL 5.A O no hydrogen 3.089 N/A ILE 22.A N LEU 3.A O no hydrogen 3.338 N/A ARG 23.A N GLU 334.A O no hydrogen 3.192 N/A HIS 24.A N ARG 1.A O no hydrogen 3.347 N/A HIS 24.A N HIS 24.A ND1 no hydrogen 2.836 N/A GLY 25.A N TYR 332.A O no hydrogen 3.034 N/A THR 28.A N GLY 25.A O no hydrogen 3.248 N/A THR 28.A OG1 GLY 25.A O no hydrogen 2.752 N/A THR 28.A OG1 ASP 330.A O no hydrogen 2.946 N/A THR 28.A OG1 TYR 332.A O no hydrogen 3.208 N/A VAL 30.A N MET 68.A O no hydrogen 3.078 N/A ARG 31.A N LEU 66.A O no hydrogen 2.978 N/A ARG 31.A NH1 ASP 29.A OD2 no hydrogen 3.271 N/A ARG 31.A NH1 ASP 67.A OD1 no hydrogen 3.549 N/A ARG 31.A NH2 THR 321.A O no hydrogen 3.069 N/A GLY 32.A N ASP 29.A OD1 no hydrogen 3.150 N/A ILE 33.A N ASP 29.A O no hydrogen 3.275 N/A ILE 34.A N VAL 30.A O no hydrogen 3.179 N/A GLN 35.A N ARG 31.A O no hydrogen 2.718 N/A LYS 36.A N GLY 32.A O no hydrogen 3.156 N/A ILE 37.A N ILE 33.A O no hydrogen 3.167 N/A VAL 38.A N ILE 34.A O no hydrogen 3.281 N/A ASP 39.A N LYS 36.A O no hydrogen 3.020 N/A CYS 40.A N LYS 36.A O no hydrogen 3.189 N/A CYS 40.A N ILE 37.A O no hydrogen 3.120 N/A HIS 41.A N VAL 38.A O no hydrogen 3.170 N/A VAL 43.A N VAL 38.A O no hydrogen 3.059 N/A LYS 44.A N ASP 106.A OD1 no hydrogen 3.183 N/A LYS 44.A N ASP 106.A OD2 no hydrogen 2.984 N/A LYS 44.A NZ GLU 105.A O no hydrogen 2.880 N/A ASN 45.A N ASP 106.A OD1 no hydrogen 2.725 N/A ASN 45.A ND2 ASP 106.A OD1 no hydrogen 2.783 N/A CYS 48.A SG ASN 45.A O no hydrogen 3.961 N/A TYR 49.A N VAL 46.A O no hydrogen 3.306 N/A TYR 49.A OH THR 109.A OG1 no hydrogen 3.262 N/A GLY 50.A N ARG 91.A O no hydrogen 2.776 N/A ARG 52.A N GLU 89.A O no hydrogen 2.928 N/A ARG 52.A NH2 GLU 89.A OE1 no hydrogen 2.926 N/A LEU 53.A N HIS 62.A O no hydrogen 2.724 N/A SER 54.A N LYS 87.A O no hydrogen 2.861 N/A SER 54.A OG HIS 55.A O no hydrogen 2.745 N/A SER 54.A OG GLU 60.A O no hydrogen 3.220 N/A LEU 56.A N GLU 85.A O no hydrogen 3.156 N/A GLN 57.A N HIS 55.A ND1 no hydrogen 3.041 N/A HIS 62.A N LEU 53.A O no hydrogen 2.770 N/A TRP 63.A N ASN 305.A OD1 no hydrogen 3.275 N/A LEU 64.A N LEU 51.A O no hydrogen 2.953 N/A HIS 65.A NE2 SER 323.A OG no hydrogen 2.730 N/A VAL 70.A N THR 28.A O no hydrogen 2.859 N/A SER 71.A OG ASP 26.A OD1 no hydrogen 3.363 N/A VAL 73.A N GLY 69.A O no hydrogen 3.015 N/A ARG 74.A N VAL 70.A O no hydrogen 2.777 N/A ARG 74.A NE GLU 78.A OE2 no hydrogen 2.906 N/A ARG 74.A NH1 VAL 2.A O no hydrogen 3.387 N/A ARG 74.A NH2 VAL 2.A O no hydrogen 2.581 N/A GLU 75.A N SER 71.A O no hydrogen 3.031 N/A LYS 76.A N ASN 72.A O no hydrogen 3.144 N/A PHE 77.A N VAL 73.A O no hydrogen 3.142 N/A PHE 77.A N ARG 74.A O no hydrogen 3.255 N/A GLU 78.A N ARG 74.A O no hydrogen 2.717 N/A ALA 80.A N PHE 77.A O no hydrogen 2.763 N/A GLU 85.A N PRO 82.A O no hydrogen 2.986 N/A LYS 87.A N SER 54.A O no hydrogen 2.906 N/A GLU 89.A N ARG 52.A O no hydrogen 2.867 N/A LEU 90.A N PHE 6.A O no hydrogen 2.837 N/A ARG 91.A N GLY 50.A O no hydrogen 2.940 N/A ARG 91.A NH1 GLU 89.A OE2 no hydrogen 2.732 N/A ARG 91.A NH2 ASP 120.A OD2 no hydrogen 2.914 N/A ILE 92.A N GLN 116.A OE1 no hydrogen 2.877 N/A ARG 93.A N CYS 48.A O no hydrogen 3.102 N/A ARG 93.A NE GLU 222.A OE2 no hydrogen 3.429 N/A ARG 93.A NH1 ASN 305.A O no hydrogen 2.698 N/A ARG 93.A NH1 ASP 308.A OD2 no hydrogen 2.793 N/A ARG 93.A NH2 GLU 222.A OE1 no hydrogen 3.131 N/A ARG 93.A NH2 ASN 305.A O no hydrogen 3.521 N/A TYR 94.A N CYS 48.A O no hydrogen 3.482 N/A TYR 94.A OH ASP 308.A OD1 no hydrogen 3.336 N/A TYR 94.A OH ASP 308.A OD2 no hydrogen 3.075 N/A LEU 95.A N TYR 313.A OH no hydrogen 2.935 N/A GLN 102.A N GLY 98.A O no hydrogen 3.192 N/A GLN 102.A NE2 ASN 45.A OD1 no hydrogen 3.045 N/A PHE 103.A N PHE 99.A O no hydrogen 2.918 N/A THR 104.A N LEU 100.A O no hydrogen 3.004 N/A THR 104.A N ASN 101.A O no hydrogen 3.031 N/A THR 104.A OG1 LEU 100.A O no hydrogen 3.363 N/A GLU 105.A N GLN 102.A O no hydrogen 3.036 N/A ASP 106.A N PHE 103.A O no hydrogen 2.792 N/A LYS 107.A NZ THR 104.A O no hydrogen 2.982 N/A THR 109.A OG1 TYR 49.A OH no hydrogen 3.262 N/A THR 109.A OG1 ASP 106.A OD1 no hydrogen 2.721 N/A LEU 110.A N ASP 106.A O no hydrogen 2.997 N/A ASN 111.A N LYS 107.A O no hydrogen 2.992 N/A PHE 112.A N PRO 108.A O no hydrogen 2.740 N/A PHE 113.A N THR 109.A O no hydrogen 2.635 N/A TYR 114.A N LEU 110.A O no hydrogen 2.896 N/A TYR 114.A OH GLU 141.A OE1 no hydrogen 2.395 N/A GLN 115.A N ASN 111.A O no hydrogen 2.945 N/A GLN 116.A N PHE 112.A O no hydrogen 2.853 N/A GLN 116.A NE2 ILE 92.A O no hydrogen 2.998 N/A VAL 117.A N PHE 113.A O no hydrogen 2.967 N/A LYS 118.A N TYR 114.A O no hydrogen 2.994 N/A LYS 118.A NZ GLN 115.A OE1 no hydrogen 3.496 N/A ASN 119.A N GLN 115.A O no hydrogen 3.347 N/A ASN 119.A ND2 TYR 8.A OH no hydrogen 2.796 N/A ASP 120.A N GLN 116.A O no hydrogen 3.368 N/A TYR 121.A N VAL 117.A O no hydrogen 2.729 N/A MET 122.A N LYS 118.A O no hydrogen 2.669 N/A LEU 123.A N ASN 119.A O no hydrogen 2.964 N/A LEU 123.A N ASP 120.A O no hydrogen 3.218 N/A GLU 124.A N ASP 120.A O no hydrogen 2.763 N/A ILE 125.A N TYR 121.A O no hydrogen 3.265 N/A ALA 126.A N TYR 121.A O no hydrogen 2.865 N/A GLN 128.A N ILE 125.A O no hydrogen 2.845 N/A GLN 128.A NE2 GLU 124.A O no hydrogen 2.989 N/A VAL 129.A N ALA 126.A O no hydrogen 3.108 N/A ILE 133.A N ASP 130.A O no hydrogen 3.019 N/A ALA 134.A N ASP 130.A O no hydrogen 3.164 N/A LEU 135.A N GLN 131.A O no hydrogen 3.263 N/A LYS 136.A N GLU 132.A O no hydrogen 2.923 N/A LEU 137.A N ILE 133.A O no hydrogen 2.817 N/A GLY 138.A N ALA 134.A O no hydrogen 2.828 N/A CYS 139.A N LEU 135.A O no hydrogen 2.758 N/A CYS 139.A SG LEU 135.A O no hydrogen 3.610 N/A CYS 139.A SG ILE 190.A O no hydrogen 3.800 N/A CYS 139.A SG THR 193.A OG1 no hydrogen 3.596 N/A LEU 140.A N LYS 136.A O no hydrogen 2.796 N/A GLU 141.A N LEU 137.A O no hydrogen 3.038 N/A ILE 142.A N GLY 138.A O no hydrogen 2.981 N/A ARG 143.A N CYS 139.A O no hydrogen 2.730 N/A ARG 143.A NE ARG 143.A O no hydrogen 2.819 N/A ARG 143.A NH1 MET 149.A O no hydrogen 3.162 N/A ARG 143.A NH1 ALA 198.A O no hydrogen 2.931 N/A ARG 143.A NH2 TYR 146.A O no hydrogen 2.920 N/A ARG 143.A NH2 MET 149.A O no hydrogen 2.656 N/A ARG 144.A N LEU 140.A O no hydrogen 2.670 N/A ARG 144.A NE GLU 141.A OE1 no hydrogen 2.775 N/A ARG 144.A NH1 GLU 10.A OE1 no hydrogen 3.059 N/A ARG 144.A NH2 GLU 10.A OE1 no hydrogen 3.485 N/A ARG 144.A NH2 GLU 141.A OE1 no hydrogen 3.551 N/A ARG 144.A NH2 GLU 141.A OE2 no hydrogen 2.811 N/A SER 145.A N GLU 141.A O no hydrogen 2.693 N/A TYR 146.A N ILE 142.A O no hydrogen 3.136 N/A MET 149.A N TYR 146.A O no hydrogen 2.906 N/A ALA 153.A N ARG 150.A O no hydrogen 2.957 N/A GLU 155.A N ASN 152.A O no hydrogen 2.918 N/A LYS 156.A N ALA 153.A O no hydrogen 3.192 N/A LYS 156.A NZ GLU 561.A OE1 no hydrogen 2.813 N/A ASN 159.A N LYS 156.A O no hydrogen 3.050 N/A ASN 159.A ND2 ALA 153.A O no hydrogen 2.976 N/A ASN 159.A ND2 TYR 586.A OH no hydrogen 2.788 N/A TYR 160.A N LYS 156.A O no hydrogen 3.297 N/A GLU 161.A N LYS 157.A O no hydrogen 2.993 N/A VAL 162.A N SER 158.A O no hydrogen 3.221 N/A VAL 162.A N ASN 159.A O no hydrogen 2.987 N/A LEU 163.A N ASN 159.A O no hydrogen 3.349 N/A GLU 164.A N TYR 160.A O no hydrogen 2.808 N/A LYS 165.A N GLU 161.A O no hydrogen 3.060 N/A ASP 166.A N VAL 162.A O no hydrogen 2.959 N/A VAL 167.A N VAL 162.A O no hydrogen 2.811 N/A GLY 168.A N LEU 163.A O no hydrogen 2.565 N/A ARG 171.A N GLY 168.A O no hydrogen 3.059 N/A ARG 171.A NH2 GLU 14.A OE2 no hydrogen 2.788 N/A PHE 172.A N LEU 169.A O no hydrogen 2.761 N/A PHE 173.A N LEU 169.A O no hydrogen 2.885 N/A SER 176.A N ASP 127.A OD2 no hydrogen 3.204 N/A SER 176.A OG ASP 127.A O no hydrogen 2.935 N/A ASP 179.A N LYS 175.A O no hydrogen 3.359 N/A SER 180.A N SER 176.A O no hydrogen 2.895 N/A SER 180.A OG SER 176.A O no hydrogen 2.808 N/A SER 180.A OG LEU 177.A O no hydrogen 2.701 N/A LEU 186.A N LYS 182.A O no hydrogen 2.769 N/A ARG 187.A N ALA 183.A O no hydrogen 2.965 N/A LYS 188.A N LYS 184.A O no hydrogen 3.512 N/A LEU 189.A N THR 185.A O no hydrogen 3.084 N/A ILE 190.A N LEU 186.A O no hydrogen 3.054 N/A GLN 191.A N ARG 187.A O no hydrogen 2.908 N/A GLN 192.A N LYS 188.A O no hydrogen 2.826 N/A THR 193.A N LEU 189.A O no hydrogen 2.851 N/A PHE 194.A N ILE 190.A O no hydrogen 3.082 N/A ARG 195.A N GLN 192.A O no hydrogen 3.146 N/A ARG 195.A NE GLU 155.A OE2 no hydrogen 3.300 N/A ARG 195.A NH2 GLU 155.A OE1 no hydrogen 2.943 N/A ARG 195.A NH2 GLU 155.A OE2 no hydrogen 3.138 N/A GLN 196.A NE2 THR 193.A O no hydrogen 3.370 N/A PHE 197.A N PHE 194.A O no hydrogen 2.812 N/A ALA 198.A N ARG 195.A O no hydrogen 3.311 N/A ASN 201.A N GLU 204.A OE1 no hydrogen 2.669 N/A GLU 204.A N ASN 201.A OD1 no hydrogen 2.956 N/A SER 205.A N ASN 201.A O no hydrogen 3.115 N/A SER 205.A N ARG 202.A O no hydrogen 2.985 N/A SER 205.A OG ASN 201.A O no hydrogen 2.912 N/A ILE 206.A N ARG 202.A O no hydrogen 3.194 N/A LEU 207.A N GLU 203.A O no hydrogen 3.119 N/A LYS 208.A N GLU 204.A O no hydrogen 3.025 N/A PHE 209.A N SER 205.A O no hydrogen 2.871 N/A PHE 210.A N ILE 206.A O no hydrogen 3.008 N/A GLU 211.A N LEU 207.A O no hydrogen 2.906 N/A ILE 212.A N LYS 208.A O no hydrogen 2.825 N/A LEU 213.A N PHE 209.A O no hydrogen 2.786 N/A SER 214.A N PHE 210.A O no hydrogen 2.858 N/A VAL 216.A N LEU 213.A O no hydrogen 2.987 N/A TYR 217.A N LEU 213.A O no hydrogen 3.014 N/A TYR 217.A N SER 214.A O no hydrogen 2.956 N/A TYR 217.A OH GLU 124.A OE2 no hydrogen 3.426 N/A GLU 222.A N ILE 240.A O no hydrogen 2.842 N/A CYS 223.A SG GLU 237.A OE1 no hydrogen 3.375 N/A PHE 224.A N LEU 238.A O no hydrogen 2.544 N/A CYS 226.A N VAL 236.A O no hydrogen 3.037 N/A CYS 226.A SG PHE 224.A O no hydrogen 3.930 N/A ALA 227.A N THR 296.A O no hydrogen 3.038 N/A LEU 228.A N ILE 234.A O no hydrogen 2.830 N/A GLY 229.A N THR 294.A O no hydrogen 3.268 N/A ILE 234.A N LEU 228.A O no hydrogen 2.993 N/A VAL 236.A N CYS 226.A O no hydrogen 3.079 N/A GLU 237.A N LEU 249.A O no hydrogen 3.197 N/A ALA 239.A N SER 247.A O no hydrogen 2.874 N/A ILE 240.A N GLU 222.A O no hydrogen 2.827 N/A GLY 241.A N GLY 245.A O no hydrogen 3.180 N/A GLU 243.A N GLU 244.A OE1 no hydrogen 3.003 N/A GLU 244.A N GLY 241.A O no hydrogen 3.379 N/A GLY 245.A N GLY 241.A O no hydrogen 2.889 N/A SER 247.A N ALA 239.A O no hydrogen 3.088 N/A TYR 248.A N THR 257.A O no hydrogen 2.831 N/A THR 250.A OG1 SER 235.A O no hydrogen 3.474 N/A THR 257.A N TYR 248.A O no hydrogen 2.804 N/A LEU 259.A N ILE 246.A O no hydrogen 2.673 N/A ALA 260.A N ILE 246.A O no hydrogen 3.347 N/A GLN 264.A N ASP 261.A O no hydrogen 2.829 N/A VAL 265.A N PHE 262.A O no hydrogen 3.392 N/A GLN 266.A N LYS 285.A O no hydrogen 2.689 N/A ILE 268.A N PHE 324.A O no hydrogen 2.713 N/A SER 271.A N MET 281.A O no hydrogen 2.850 N/A SER 271.A OG ASN 272.A O no hydrogen 3.242 N/A SER 271.A OG GLU 274.A OE1 no hydrogen 3.390 N/A SER 271.A OG GLU 274.A OE2 no hydrogen 3.327 N/A SER 273.A OG ASP 275.A OD2 no hydrogen 2.454 N/A GLY 280.A N ALA 297.A O no hydrogen 2.816 N/A MET 281.A N SER 271.A O no hydrogen 2.827 N/A LEU 282.A N VAL 295.A O no hydrogen 2.999 N/A GLN 283.A N GLN 269.A O no hydrogen 2.639 N/A LEU 284.A N LEU 293.A O no hydrogen 3.192 N/A LYS 285.A N THR 267.A O no hydrogen 3.019 N/A ALA 287.A N GLN 264.A O no hydrogen 3.016 N/A THR 294.A OG1 GLN 283.A OE1 no hydrogen 3.499 N/A THR 294.A OG1 PRO 292.A O no hydrogen 3.241 N/A VAL 295.A N LEU 282.A O no hydrogen 2.987 N/A THR 296.A N ALA 227.A O no hydrogen 2.674 N/A THR 296.A OG1 ALA 227.A O no hydrogen 3.278 N/A ALA 297.A N GLY 280.A O no hydrogen 2.593 N/A THR 301.A OG1 HIS 62.A NE2 no hydrogen 2.950 N/A ILE 302.A N SER 299.A OG no hydrogen 3.375 N/A ALA 303.A N SER 299.A O no hydrogen 3.105 N/A GLU 304.A N LEU 300.A O no hydrogen 2.625 N/A ASN 305.A N THR 301.A O no hydrogen 2.993 N/A ASN 305.A ND2 VAL 61.A O no hydrogen 3.051 N/A MET 306.A N ILE 302.A O no hydrogen 2.867 N/A ALA 307.A N ALA 303.A O no hydrogen 2.902 N/A ASP 308.A N GLU 304.A O no hydrogen 2.963 N/A LEU 309.A N ASN 305.A O no hydrogen 3.106 N/A ILE 310.A N MET 306.A O no hydrogen 3.087 N/A ASP 311.A N ALA 307.A O no hydrogen 2.724 N/A GLY 312.A N ASP 308.A O no hydrogen 2.572 N/A TYR 313.A N LEU 309.A O no hydrogen 2.901 N/A CYS 314.A N ILE 310.A O no hydrogen 2.893 N/A CYS 314.A SG ILE 310.A O no hydrogen 3.214 N/A ARG 315.A N ASP 311.A O no hydrogen 2.991 N/A ARG 315.A NH1 ASP 311.A OD2 no hydrogen 3.322 N/A LEU 316.A N TYR 313.A O no hydrogen 3.080 N/A VAL 317.A N TYR 313.A O no hydrogen 2.717 N/A ASN 318.A N CYS 314.A O no hydrogen 3.045 N/A ASN 318.A ND2 CYS 314.A O no hydrogen 2.772 N/A ALA 320.A N ASN 318.A O no hydrogen 2.531 N/A THR 321.A N GLN 322.A OE1 no hydrogen 3.295 N/A SER 323.A OG HIS 65.A NE2 no hydrogen 2.730 N/A SER 323.A OG ASP 311.A OD2 no hydrogen 3.293 N/A PHE 324.A N ASP 311.A OD1 no hydrogen 2.771 N/A ILE 326.A N ILE 268.A O no hydrogen 2.942 N/A GLU 334.A N ARG 23.A O no hydrogen 3.202 N/A ILE 336.A N ILE 21.A O no hydrogen 3.018 N/A THR 341.A OG1 TYR 342.A O no hydrogen 3.497 N/A THR 343.A OG1 MET 344.A O no hydrogen 3.524 N/A THR 347.A OG1 GLU 351.A OE2 no hydrogen 2.856 N/A TYR 350.A N THR 347.A O no hydrogen 2.638 N/A ILE 352.A N VAL 424.A O no hydrogen 2.885 N/A GLN 353.A N GLN 353.A OE1 no hydrogen 2.952 N/A ARG 354.A NH1 GLU 427.A O no hydrogen 3.545 N/A ARG 354.A NH2 GLU 427.A O no hydrogen 2.563 N/A ARG 356.A N GLN 353.A O no hydrogen 2.799 N/A ILE 357.A N ARG 354.A O no hydrogen 3.269 N/A GLU 358.A N ILE 375.A O no hydrogen 2.894 N/A CYS 362.A SG GLY 364.A O no hydrogen 3.711 N/A CYS 362.A SG VAL 371.A O no hydrogen 3.879 N/A ILE 363.A N VAL 371.A O no hydrogen 2.820 N/A GLY 364.A N VAL 371.A O no hydrogen 2.924 N/A VAL 371.A N GLY 364.A O no hydrogen 3.002 N/A HIS 372.A N ILE 388.A O no hydrogen 2.728 N/A GLN 373.A N ARG 361.A O no hydrogen 2.723 N/A GLY 374.A N VAL 386.A O no hydrogen 2.803 N/A ILE 375.A N GLU 358.A O no hydrogen 2.891 N/A TYR 376.A N MET 384.A O no hydrogen 2.745 N/A MET 377.A N ARG 356.A O no hydrogen 2.862 N/A SER 378.A OG GLU 380.A O no hydrogen 3.275 N/A VAL 386.A N GLY 374.A O no hydrogen 2.928 N/A ALA 387.A N MET 434.A O no hydrogen 2.752 N/A ILE 388.A N HIS 372.A O no hydrogen 2.683 N/A LYS 389.A N ILE 432.A O no hydrogen 2.928 N/A LYS 389.A NZ GLU 406.A OE1 no hydrogen 2.703 N/A LYS 389.A NZ GLU 406.A OE2 no hydrogen 2.806 N/A THR 390.A N ASP 370.A O no hydrogen 2.623 N/A THR 390.A OG1 ASP 370.A O no hydrogen 3.202 N/A LYS 392.A N PHE 368.A O no hydrogen 2.719 N/A CYS 394.A N LYS 392.A O no hydrogen 2.769 N/A SER 396.A OG ASN 393.A O no hydrogen 3.248 N/A SER 398.A OG GLU 338.A OE1 no hydrogen 3.438 N/A VAL 399.A N SER 396.A O no hydrogen 2.465 N/A ARG 400.A N SER 396.A O no hydrogen 3.210 N/A GLU 401.A N ASP 397.A O no hydrogen 3.427 N/A LYS 402.A N SER 398.A O no hydrogen 3.068 N/A PHE 403.A N VAL 399.A O no hydrogen 2.857 N/A LEU 404.A N ARG 400.A O no hydrogen 2.991 N/A GLN 405.A NE2 GLU 401.A O no hydrogen 3.042 N/A GLU 406.A N PHE 403.A O no hydrogen 2.764 N/A LEU 408.A N LEU 404.A O no hydrogen 3.278 N/A THR 409.A N GLN 405.A O no hydrogen 3.057 N/A THR 409.A OG1 GLU 406.A O no hydrogen 2.626 N/A MET 410.A N GLU 406.A O no hydrogen 3.019 N/A ARG 411.A N ALA 407.A O no hydrogen 3.040 N/A ARG 411.A N LEU 408.A O no hydrogen 3.155 N/A GLN 412.A N THR 409.A O no hydrogen 2.850 N/A GLN 412.A NE2 LEU 408.A O no hydrogen 3.038 N/A PHE 413.A N MET 410.A O no hydrogen 3.294 N/A ASP 414.A N TYR 471.A OH no hydrogen 2.994 N/A HIS 417.A N HIS 415.A ND1 no hydrogen 3.050 N/A HIS 417.A ND1 VAL 495.A O no hydrogen 2.936 N/A ILE 418.A N HIS 415.A O no hydrogen 3.136 N/A VAL 419.A N LEU 497.A O no hydrogen 3.155 N/A LYS 420.A NZ ASP 414.A OD1 no hydrogen 3.082 N/A ILE 422.A N ILE 433.A O no hydrogen 2.701 N/A GLY 423.A N ILE 433.A O no hydrogen 3.127 N/A VAL 424.A N TYR 350.A O no hydrogen 2.777 N/A ILE 425.A N TRP 431.A O no hydrogen 2.836 N/A THR 426.A OG1 GLU 351.A OE2 no hydrogen 3.543 N/A TRP 431.A N ILE 425.A O no hydrogen 2.948 N/A ILE 432.A N LYS 389.A O no hydrogen 3.162 N/A ILE 433.A N GLY 423.A O no hydrogen 2.736 N/A MET 434.A N ALA 387.A O no hydrogen 2.910 N/A GLU 435.A N LYS 420.A O no hydrogen 3.107 N/A GLY 440.A N CYS 437.A O no hydrogen 3.032 N/A LEU 442.A N VAL 487.A O no hydrogen 2.892 N/A ARG 443.A NE GLY 544.A O no hydrogen 3.210 N/A ARG 443.A NH2 GLY 544.A O no hydrogen 3.050 N/A PHE 445.A N GLU 441.A O no hydrogen 3.213 N/A LEU 446.A N LEU 442.A O no hydrogen 2.839 N/A GLN 447.A N ARG 443.A O no hydrogen 2.895 N/A VAL 448.A N SER 444.A O no hydrogen 2.932 N/A ARG 449.A N PHE 445.A O no hydrogen 3.094 N/A ARG 449.A NE PHE 445.A O no hydrogen 3.553 N/A SER 452.A N ARG 449.A O no hydrogen 3.127 N/A SER 452.A OG ARG 449.A O no hydrogen 3.443 N/A SER 457.A OG ASP 454.A OD1 no hydrogen 2.252 N/A ILE 459.A N LEU 455.A O no hydrogen 3.204 N/A LEU 460.A N ALA 456.A O no hydrogen 3.056 N/A TYR 461.A N SER 457.A O no hydrogen 3.057 N/A TYR 461.A OH ASN 492.A O no hydrogen 2.572 N/A ALA 462.A N LEU 458.A O no hydrogen 3.409 N/A TYR 463.A N ILE 459.A O no hydrogen 2.861 N/A GLN 464.A N LEU 460.A O no hydrogen 2.748 N/A GLN 464.A NE2 ASP 493.A O no hydrogen 3.110 N/A LEU 465.A N TYR 461.A O no hydrogen 2.927 N/A SER 466.A N ALA 462.A O no hydrogen 2.997 N/A SER 466.A OG TYR 463.A O no hydrogen 2.707 N/A THR 467.A N TYR 463.A O no hydrogen 3.061 N/A THR 467.A OG1 GLN 464.A O no hydrogen 2.626 N/A ALA 468.A N GLN 464.A O no hydrogen 3.370 N/A LEU 469.A N LEU 465.A O no hydrogen 2.896 N/A ALA 470.A N SER 466.A O no hydrogen 2.703 N/A TYR 471.A N THR 467.A O no hydrogen 2.882 N/A LEU 472.A N ALA 468.A O no hydrogen 2.994 N/A GLU 473.A N LEU 469.A O no hydrogen 2.698 N/A SER 474.A N ALA 470.A O no hydrogen 2.856 N/A SER 474.A OG TYR 471.A O no hydrogen 2.527 N/A LYS 475.A N TYR 471.A O no hydrogen 3.281 N/A LYS 475.A NZ GLN 412.A O no hydrogen 3.074 N/A LYS 475.A NZ TYR 471.A OH no hydrogen 2.797 N/A ARG 476.A N GLU 473.A O no hydrogen 3.055 N/A PHE 477.A N LEU 472.A O no hydrogen 3.090 N/A HIS 479.A N ASP 529.A OD1 no hydrogen 2.694 N/A ARG 480.A N ASP 529.A OD2 no hydrogen 3.112 N/A ALA 484.A N GLU 539.A OE2 no hydrogen 3.265 N/A ARG 485.A NH2 ASP 481.A OD2 no hydrogen 2.717 N/A ASN 486.A N ALA 483.A O no hydrogen 2.859 N/A ASN 486.A ND2 ASP 481.A O no hydrogen 2.647 N/A VAL 487.A N ALA 484.A O no hydrogen 2.872 N/A LEU 488.A N LYS 496.A O no hydrogen 3.076 N/A VAL 489.A N GLY 440.A O no hydrogen 2.694 N/A SER 491.A N CYS 494.A O no hydrogen 3.014 N/A SER 491.A OG ASN 492.A OD1 no hydrogen 3.488 N/A SER 491.A OG ASP 493.A OD2 no hydrogen 2.603 N/A CYS 494.A N SER 491.A O no hydrogen 2.625 N/A CYS 494.A SG HIS 417.A ND1 no hydrogen 3.773 N/A CYS 494.A SG VAL 495.A O no hydrogen 3.949 N/A VAL 495.A N GLN 464.A OE1 no hydrogen 2.894 N/A LYS 496.A N LEU 488.A O no hydrogen 2.911 N/A LYS 496.A NZ GLU 435.A OE1 no hydrogen 2.868 N/A LYS 496.A NZ GLU 435.A OE2 no hydrogen 3.189 N/A LEU 497.A N HIS 417.A O no hydrogen 2.810 N/A GLY 498.A N ASN 486.A O no hydrogen 3.237 N/A TYR 505.A OH SER 12.A O no hydrogen 2.695 N/A ILE 511.A N LEU 509.A O no hydrogen 2.749 N/A LYS 512.A NZ PHE 548.A O no hydrogen 3.111 N/A TRP 513.A N PRO 510.A O no hydrogen 2.631 N/A TRP 513.A NE1 GLU 539.A OE2 no hydrogen 2.644 N/A MET 514.A N ILE 511.A O no hydrogen 2.621 N/A GLU 517.A N GLU 517.A OE1 no hydrogen 2.657 N/A SER 518.A N ALA 515.A O no hydrogen 2.799 N/A SER 518.A OG ARG 523.A O no hydrogen 3.120 N/A ILE 519.A N ALA 515.A O no hydrogen 3.261 N/A ASN 520.A N PRO 516.A O no hydrogen 2.759 N/A PHE 521.A N GLU 517.A O no hydrogen 2.837 N/A ARG 522.A N SER 518.A O no hydrogen 2.992 N/A THR 525.A N SER 528.A OG no hydrogen 2.858 N/A ALA 527.A N THR 525.A OG1 no hydrogen 3.015 N/A SER 528.A OG THR 525.A O no hydrogen 2.728 N/A ASP 529.A N THR 525.A O no hydrogen 3.176 N/A VAL 530.A N SER 526.A O no hydrogen 2.989 N/A TRP 531.A N ALA 527.A O no hydrogen 2.873 N/A MET 532.A N SER 528.A O no hydrogen 2.937 N/A PHE 533.A N ASP 529.A O no hydrogen 2.813 N/A GLY 534.A N VAL 530.A O no hydrogen 2.902 N/A VAL 535.A N TRP 531.A O no hydrogen 3.280 N/A CYS 536.A N MET 532.A O no hydrogen 2.918 N/A MET 537.A N PHE 533.A O no hydrogen 2.776 N/A TRP 538.A N GLY 534.A O no hydrogen 3.091 N/A TRP 538.A NE1 PRO 567.A O no hydrogen 3.143 N/A GLU 539.A N VAL 535.A O no hydrogen 2.842 N/A ILE 540.A N CYS 536.A O no hydrogen 2.884 N/A LEU 541.A N MET 537.A O no hydrogen 2.720 N/A MET 542.A N TRP 538.A O no hydrogen 2.598 N/A HIS 543.A N ILE 540.A O no hydrogen 3.039 N/A GLY 544.A N GLU 539.A O no hydrogen 2.959 N/A VAL 545.A N MET 542.A O no hydrogen 3.224 N/A VAL 551.A N PHE 548.A O no hydrogen 2.906 N/A ASP 555.A N LYS 552.A O no hydrogen 3.025 N/A VAL 556.A N LYS 552.A O no hydrogen 3.024 N/A ARG 559.A N ASP 555.A O no hydrogen 3.000 N/A ILE 560.A N VAL 556.A O no hydrogen 3.089 N/A GLU 561.A N ILE 557.A O no hydrogen 2.814 N/A ASN 562.A N GLY 558.A O no hydrogen 2.707 N/A ASN 562.A N ARG 559.A O no hydrogen 3.076 N/A GLY 563.A N ARG 559.A O no hydrogen 3.020 N/A GLU 564.A N ARG 559.A O no hydrogen 3.187 N/A ARG 565.A NE TRP 584.A O no hydrogen 2.964 N/A ARG 565.A NH1 ILE 560.A O no hydrogen 3.388 N/A ARG 565.A NH1 GLU 564.A O no hydrogen 2.649 N/A ARG 565.A NH2 TRP 584.A O no hydrogen 2.938 N/A CYS 572.A N PRO 569.A O no hydrogen 3.042 N/A CYS 572.A SG PRO 573.A O no hydrogen 3.396 N/A TYR 577.A N PRO 573.A O no hydrogen 3.469 N/A TYR 577.A OH LEU 566.A O no hydrogen 2.482 N/A SER 578.A N PRO 574.A O no hydrogen 3.019 N/A LEU 579.A N THR 575.A O no hydrogen 2.700 N/A MET 580.A N LEU 576.A O no hydrogen 2.761 N/A THR 581.A N TYR 577.A O no hydrogen 3.022 N/A THR 581.A N SER 578.A O no hydrogen 3.233 N/A THR 581.A OG1 TYR 577.A O no hydrogen 3.050 N/A THR 581.A OG1 SER 578.A O no hydrogen 2.718 N/A LYS 582.A N SER 578.A O no hydrogen 3.291 N/A CYS 583.A SG LEU 579.A O no hydrogen 3.452 N/A TRP 584.A N MET 580.A O no hydrogen 3.169 N/A TRP 584.A N THR 581.A O no hydrogen 3.033 N/A ALA 585.A N LYS 582.A O no hydrogen 3.059 N/A TYR 586.A OH GLU 561.A OE1 no hydrogen 2.772 N/A TYR 586.A OH GLU 561.A OE2 no hydrogen 3.037 N/A SER 589.A N ASP 587.A OD2 no hydrogen 2.780 N/A SER 589.A OG ASP 587.A OD1 no hydrogen 3.489 N/A SER 589.A OG ASP 587.A OD2 no hydrogen 2.816 N/A ARG 590.A N ASP 587.A O no hydrogen 3.009 N/A ARG 591.A N PRO 588.A O no hydrogen 2.945 N/A ARG 591.A NE ALA 585.A O no hydrogen 2.559 N/A ARG 591.A NH1 GLU 517.A OE1 no hydrogen 3.190 N/A ARG 591.A NH1 ALA 585.A O no hydrogen 3.180 N/A ARG 591.A NH1 TYR 586.A O no hydrogen 2.714 N/A ARG 591.A NH2 GLU 517.A OE2 no hydrogen 3.046 N/A PHE 594.A N GLU 473.A OE1 no hydrogen 3.053 N/A THR 595.A N GLU 473.A OE2 no hydrogen 3.412 N/A GLU 596.A N ARG 593.A O no hydrogen 2.877 N/A LEU 597.A N ARG 593.A O no hydrogen 3.058 N/A LYS 598.A N PHE 594.A O no hydrogen 2.724 N/A ALA 599.A N THR 595.A O no hydrogen 3.373 N/A GLN 600.A N GLU 596.A O no hydrogen 3.121 N/A LEU 601.A N LEU 597.A O no hydrogen 2.887 N/A SER 602.A N LYS 598.A O no hydrogen 2.906 N/A THR 603.A N ALA 599.A O no hydrogen 3.303 N/A THR 603.A OG1 GLN 600.A O no hydrogen 3.331 N/A ILE 604.A N GLN 600.A O no hydrogen 2.759 N/A LEU 605.A N LEU 601.A O no hydrogen 2.719 N/A GLU 606.A N SER 602.A O no hydrogen 3.078 N/A GLU 607.A N THR 603.A O no hydrogen 3.021 N/A GLU 608.A N ILE 604.A O no hydrogen 3.235 N/A LYS 609.A N LEU 605.A O no hydrogen 2.983 N/A LYS 609.A N GLU 606.A O no hydrogen 2.803 N/A LYS 609.A NZ GLU 606.A OE1 no hydrogen 2.885 N/A LEU 610.A N GLU 606.A O no hydrogen 3.154 N/A GLN 611.A N GLU 607.A O no hydrogen 2.510 N/A