Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xrm_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ARG 2.A O no hydrogen 3.475 N/A PHE 6.A N SER 4.A OG no hydrogen 3.358 N/A GLU 7.A N SER 4.A O no hydrogen 3.077 N/A MET 8.A N SER 4.A O no hydrogen 3.250 N/A TYR 9.A N ILE 5.A O no hydrogen 3.192 N/A SER 12.A OG GLU 10.A OE2 no hydrogen 2.836 N/A LEU 14.A N GLU 10.A O no hydrogen 2.918 N/A GLU 15.A N PRO 11.A O no hydrogen 2.784 N/A SER 16.A N SER 12.A O no hydrogen 2.861 N/A SER 16.A OG SER 12.A O no hydrogen 2.661 N/A SER 16.A OG GLU 13.A O no hydrogen 3.082 N/A SER 17.A N GLU 13.A O no hydrogen 2.878 N/A SER 17.A OG GLU 13.A O no hydrogen 2.523 N/A HIS 18.A N GLU 15.A O no hydrogen 2.952 N/A LEU 19.A N LEU 14.A O no hydrogen 2.833 N/A THR 20.A N ASP 23.A OD2 no hydrogen 3.278 N/A THR 20.A OG1 ASP 23.A OD2 no hydrogen 2.793 N/A GLN 22.A N GLN 22.A OE1 no hydrogen 2.998 N/A GLN 22.A NE2 THR 20.A OG1 no hydrogen 3.063 N/A GLN 22.A NE2 ASP 23.A OD1 no hydrogen 2.941 N/A ASN 24.A N ASP 21.A O no hydrogen 2.856 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.890 N/A ILE 26.A N GLN 22.A O no hydrogen 3.054 N/A ARG 27.A N ASP 23.A O no hydrogen 3.032 N/A ARG 27.A NE ASP 23.A O no hydrogen 2.995 N/A ARG 27.A NH1 ARG 619.A O no hydrogen 2.694 N/A ARG 34.A NE GLU 88.A OE1 no hydrogen 2.916 N/A ARG 34.A NH1 LEU 616.A O no hydrogen 3.117 N/A ARG 34.A NH2 GLU 88.A OE1 no hydrogen 3.041 N/A ARG 34.A NH2 GLU 88.A OE2 no hydrogen 3.287 N/A ARG 34.A NH2 VAL 613.A O no hydrogen 2.899 N/A ARG 34.A NH2 LEU 616.A O no hydrogen 2.898 N/A PHE 35.A N PRO 32.A O no hydrogen 2.975 N/A GLN 36.A N PRO 32.A O no hydrogen 3.240 N/A LEU 37.A N GLU 33.A O no hydrogen 2.835 N/A ARG 38.A N ARG 34.A O no hydrogen 3.386 N/A ARG 38.A NE ILE 40.A O no hydrogen 2.886 N/A ARG 38.A NE GLU 117.A OE2 no hydrogen 3.372 N/A ARG 38.A NH1 ASP 116.A OD2 no hydrogen 3.478 N/A SER 39.A OG GLU 117.A OE2 no hydrogen 3.537 N/A LYS 43.A NZ VAL 42.A O no hydrogen 2.816 N/A ALA 45.A N ASN 84.A OD1 no hydrogen 3.150 N/A GLU 49.A N ASP 48.A OD1 no hydrogen 2.600 N/A GLU 52.A N ASP 48.A O no hydrogen 3.354 N/A GLU 53.A N GLU 49.A O no hydrogen 2.813 N/A ALA 54.A N LEU 50.A O no hydrogen 2.898 N/A ASP 55.A N GLU 51.A O no hydrogen 2.961 N/A TRP 56.A N GLU 52.A O no hydrogen 2.900 N/A TRP 56.A NE1 GLN 158.A O no hydrogen 3.125 N/A ILE 57.A N GLU 53.A O no hydrogen 2.868 N/A TYR 58.A N ALA 54.A O no hydrogen 2.917 N/A ARG 59.A N ASP 55.A O no hydrogen 2.990 N/A ARG 59.A NH2 GLN 158.A OE1 no hydrogen 2.846 N/A ASN 60.A N TRP 56.A O no hydrogen 2.926 N/A ALA 61.A N ILE 57.A O no hydrogen 2.894 N/A PHE 62.A N TYR 58.A O no hydrogen 3.184 N/A ALA 63.A N TYR 58.A O no hydrogen 2.773 N/A THR 64.A N ARG 59.A O no hydrogen 2.889 N/A THR 64.A OG1 ARG 59.A O no hydrogen 2.569 N/A THR 66.A OG1 SER 68.A O no hydrogen 2.951 N/A SER 68.A OG LEU 314.A O no hydrogen 3.466 N/A LEU 69.A N LEU 314.A O no hydrogen 2.770 N/A GLN 70.A NE2 GLU 395.A O no hydrogen 3.525 N/A GLN 70.A NE2 GLU 395.A OE2 no hydrogen 2.756 N/A LYS 76.A N ILE 72.A O no hydrogen 2.958 N/A LYS 76.A NZ GLN 73.A OE1 no hydrogen 2.851 N/A GLU 77.A N GLN 73.A O no hydrogen 2.865 N/A ALA 78.A N LYS 74.A O no hydrogen 2.921 N/A LEU 79.A N ILE 75.A O no hydrogen 2.899 N/A GLY 80.A N LYS 76.A O no hydrogen 2.942 N/A PHE 81.A N GLU 77.A O no hydrogen 3.026 N/A MET 82.A N ALA 78.A O no hydrogen 3.082 N/A ARG 83.A N LEU 79.A O no hydrogen 2.960 N/A ASN 84.A N GLY 80.A O no hydrogen 3.027 N/A PHE 87.A N PHE 81.A O no hydrogen 3.457 N/A GLU 88.A N ASN 654.A OD1 no hydrogen 3.147 N/A ILE 92.A N GLU 88.A O no hydrogen 3.280 N/A ALA 93.A N VAL 89.A O no hydrogen 2.919 N/A PHE 94.A N PRO 90.A O no hydrogen 2.963 N/A TYR 95.A N PHE 91.A O no hydrogen 2.904 N/A TYR 95.A OH GLY 657.A O no hydrogen 2.212 N/A TYR 95.A OH ARG 669.A O no hydrogen 3.053 N/A ARG 96.A N ILE 92.A O no hydrogen 3.151 N/A ARG 96.A NH1 TYR 95.A O no hydrogen 3.306 N/A LYS 97.A NZ ASP 684.A OD2 no hydrogen 3.206 N/A TYR 99.A N ARG 96.A O no hydrogen 3.227 N/A VAL 100.A N LYS 97.A O no hydrogen 3.006 N/A GLU 101.A N LYS 97.A O no hydrogen 2.739 N/A GLU 103.A N VAL 100.A O no hydrogen 3.150 N/A LEU 109.A N HIS 105.A O no hydrogen 2.878 N/A TRP 110.A N ILE 106.A O no hydrogen 3.007 N/A TRP 110.A NE1 ASN 588.A OD1 no hydrogen 2.867 N/A ARG 111.A N ASN 107.A O no hydrogen 2.893 N/A ARG 111.A NH2 ALA 61.A O no hydrogen 3.109 N/A VAL 112.A N ASP 108.A O no hydrogen 2.912 N/A TRP 113.A N LEU 109.A O no hydrogen 2.905 N/A GLN 114.A N TRP 110.A O no hydrogen 3.009 N/A TRP 115.A N ARG 111.A O no hydrogen 2.980 N/A ASP 116.A N VAL 112.A O no hydrogen 2.797 N/A GLU 117.A N TRP 113.A O no hydrogen 3.196 N/A LYS 118.A N GLN 114.A O no hydrogen 3.089 N/A TRP 119.A N TRP 115.A O no hydrogen 2.911 N/A TRP 119.A NE1 GLU 49.A OE2 no hydrogen 2.860 N/A THR 120.A N ASP 116.A O no hydrogen 3.009 N/A THR 120.A OG1 ASP 116.A O no hydrogen 2.949 N/A GLN 121.A N GLU 117.A O no hydrogen 3.047 N/A LEU 122.A N LYS 118.A O no hydrogen 2.979 N/A ARG 123.A N TRP 119.A O no hydrogen 2.867 N/A ILE 124.A N THR 120.A O no hydrogen 2.931 N/A ARG 125.A N GLN 121.A O no hydrogen 2.833 N/A LYS 126.A N LEU 122.A O no hydrogen 2.806 N/A LYS 126.A NZ LYS 155.A O no hydrogen 3.502 N/A GLU 127.A N ARG 123.A O no hydrogen 2.998 N/A ASN 128.A N ILE 124.A O no hydrogen 3.074 N/A LEU 129.A N ARG 125.A O no hydrogen 3.117 N/A THR 130.A N LYS 126.A O no hydrogen 2.959 N/A THR 130.A OG1 LYS 126.A O no hydrogen 3.032 N/A ARG 131.A N GLU 127.A O no hydrogen 2.997 N/A ARG 131.A NH2 ASN 128.A OD1 no hydrogen 2.621 N/A LEU 132.A N ASN 128.A O no hydrogen 3.095 N/A PHE 133.A N LEU 129.A O no hydrogen 2.849 N/A GLU 134.A N THR 130.A O no hydrogen 2.893 N/A LYS 135.A N ARG 131.A O no hydrogen 2.914 N/A MET 136.A N LEU 132.A O no hydrogen 2.794 N/A GLN 137.A N PHE 133.A O no hydrogen 2.845 N/A ALA 138.A N GLU 134.A O no hydrogen 2.925 N/A TYR 139.A N LYS 135.A O no hydrogen 2.880 N/A GLN 140.A N MET 136.A O no hydrogen 2.910 N/A TYR 141.A N GLN 137.A O no hydrogen 2.883 N/A GLU 142.A N ALA 138.A O no hydrogen 2.910 N/A GLN 143.A N TYR 139.A O no hydrogen 3.318 N/A MET 151.A N ASP 147.A O no hydrogen 3.205 N/A GLU 152.A N THR 148.A O no hydrogen 2.784 N/A ARG 153.A N THR 149.A O no hydrogen 2.932 N/A ARG 153.A NH1 GLU 265.A OE2 no hydrogen 2.835 N/A ARG 153.A NH2 GLU 265.A OE2 no hydrogen 2.767 N/A LEU 154.A N ASP 150.A O no hydrogen 3.080 N/A LYS 155.A N MET 151.A O no hydrogen 3.037 N/A LYS 155.A NZ THR 130.A OG1 no hydrogen 2.949 N/A ASP 156.A N GLU 152.A O no hydrogen 2.941 N/A ASP 161.A N SER 159.A OG no hydrogen 2.931 N/A LEU 163.A N SER 159.A O no hydrogen 3.307 N/A LYS 164.A N MET 160.A O no hydrogen 2.828 N/A ASP 165.A N ASP 161.A O no hydrogen 2.900 N/A VAL 166.A N GLU 162.A O no hydrogen 2.984 N/A TYR 167.A N LEU 163.A O no hydrogen 2.902 N/A ASN 168.A N LYS 164.A O no hydrogen 2.928 N/A HIS 169.A N ASP 165.A O no hydrogen 2.973 N/A PHE 170.A N VAL 166.A O no hydrogen 2.888 N/A LEU 171.A N TYR 167.A O no hydrogen 2.849 N/A LEU 172.A N ASN 168.A O no hydrogen 2.935 N/A TYR 174.A N PHE 170.A O no hydrogen 2.933 N/A ASP 177.A N ASP 177.A OD1 no hydrogen 2.516 N/A ILE 178.A N ARG 176.A O no hydrogen 3.138 N/A ARG 187.A N SER 185.A O no hydrogen 2.895 N/A ARG 187.A NH1 THR 191.A OG1 no hydrogen 2.566 N/A THR 191.A N ASP 188.A O no hydrogen 3.076 N/A THR 191.A OG1 ASP 188.A O no hydrogen 3.035 N/A CYS 193.A N MET 189.A O no hydrogen 3.054 N/A CYS 193.A SG MET 189.A O no hydrogen 3.140 N/A GLN 194.A N TYR 190.A O no hydrogen 2.689 N/A GLN 194.A NE2 ASP 199.A OD2 no hydrogen 3.252 N/A SER 195.A N THR 191.A O no hydrogen 2.664 N/A SER 195.A OG ILE 192.A O no hydrogen 2.762 N/A LEU 198.A N ALA 196.A O no hydrogen 3.017 N/A LYS 203.A N ASP 199.A O no hydrogen 3.004 N/A LYS 204.A N GLY 200.A O no hydrogen 2.878 N/A LYS 204.A NZ TYR 239.A OH no hydrogen 2.600 N/A PHE 205.A N LEU 201.A O no hydrogen 2.697 N/A PHE 212.A N THR 208.A O no hydrogen 2.958 N/A GLY 213.A N PRO 209.A O no hydrogen 2.857 N/A GLU 214.A N GLU 210.A O no hydrogen 2.933 N/A ASN 215.A N GLN 211.A O no hydrogen 2.853 N/A ASN 215.A ND2 HIS 223.A O no hydrogen 3.076 N/A ASN 215.A ND2 PHE 351.A O no hydrogen 3.593 N/A LEU 216.A N PHE 212.A O no hydrogen 2.871 N/A ARG 217.A N GLY 213.A O no hydrogen 2.912 N/A ASP 218.A N GLU 214.A O no hydrogen 2.934 N/A TYR 220.A N ASP 218.A OD1 no hydrogen 2.936 N/A ARG 222.A NH2 GLU 214.A OE2 no hydrogen 2.780 N/A HIS 223.A N ASN 215.A OD1 no hydrogen 2.895 N/A GLN 227.A N GLN 227.A OE1 no hydrogen 3.100 N/A GLN 227.A NE2 GLU 356.A OE2 no hydrogen 2.878 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 3.179 N/A ALA 236.A N PRO 232.A O no hydrogen 2.945 N/A LYS 237.A N LEU 233.A O no hydrogen 2.993 N/A LYS 237.A N GLU 234.A O no hydrogen 3.237 N/A ASP 238.A N LEU 235.A O no hydrogen 2.931 N/A TYR 239.A N LEU 235.A O no hydrogen 3.318 N/A CYS 241.A SG TYR 239.A O no hydrogen 3.807 N/A GLN 243.A NE2 ILE 192.A O no hydrogen 3.506 N/A LEU 251.A N PRO 247.A O no hydrogen 2.850 N/A GLU 252.A N GLU 248.A O no hydrogen 2.838 N/A GLY 253.A N ALA 249.A O no hydrogen 2.949 N/A ALA 254.A N VAL 250.A O no hydrogen 2.943 N/A ARG 255.A N LEU 251.A O no hydrogen 2.938 N/A ARG 255.A NH1 GLN 367.A OE1 no hydrogen 2.896 N/A ARG 255.A NH2 GLU 252.A OE1 no hydrogen 2.758 N/A TYR 256.A N GLU 252.A O no hydrogen 2.847 N/A MET 257.A N GLY 253.A O no hydrogen 2.992 N/A VAL 258.A N ALA 254.A O no hydrogen 3.118 N/A ALA 259.A N ARG 255.A O no hydrogen 3.229 N/A LEU 260.A N TYR 256.A O no hydrogen 2.916 N/A GLN 261.A N MET 257.A O no hydrogen 2.894 N/A GLN 261.A NE2 TYR 190.A OH no hydrogen 2.926 N/A ILE 262.A N VAL 258.A O no hydrogen 2.915 N/A ALA 263.A N ALA 259.A O no hydrogen 2.960 N/A ARG 264.A N LEU 260.A O no hydrogen 2.976 N/A ARG 264.A NH1 ASN 168.A O no hydrogen 3.492 N/A GLU 265.A N ILE 262.A O no hydrogen 3.394 N/A ARG 269.A N GLU 265.A O no hydrogen 2.931 N/A GLN 270.A N PRO 266.A O no hydrogen 2.841 N/A VAL 271.A N LEU 267.A O no hydrogen 2.958 N/A LEU 272.A N VAL 268.A O no hydrogen 2.942 N/A ARG 273.A N ARG 269.A O no hydrogen 2.796 N/A ARG 273.A NH1 ASP 165.A OD2 no hydrogen 2.706 N/A ARG 273.A NH2 ASP 165.A OD1 no hydrogen 3.069 N/A ARG 273.A NH2 ASP 165.A OD2 no hydrogen 2.889 N/A GLN 274.A N GLN 270.A O no hydrogen 2.862 N/A THR 275.A N VAL 271.A O no hydrogen 2.913 N/A THR 275.A OG1 VAL 271.A O no hydrogen 3.157 N/A THR 275.A OG1 LEU 272.A O no hydrogen 2.440 N/A THR 275.A OG1 TYR 344.A OH no hydrogen 3.280 N/A PHE 276.A N LEU 272.A O no hydrogen 2.846 N/A GLN 277.A N ARG 273.A O no hydrogen 3.008 N/A GLN 277.A NE2 ARG 273.A O no hydrogen 2.977 N/A GLU 278.A N GLN 274.A O no hydrogen 2.939 N/A ARG 279.A N THR 275.A O no hydrogen 2.649 N/A LYS 281.A N SER 336.A O no hydrogen 2.816 N/A LEU 282.A N LYS 309.A O no hydrogen 2.756 N/A ASN 283.A N ASP 334.A O no hydrogen 2.990 N/A ILE 284.A N LEU 306.A O no hydrogen 2.692 N/A THR 285.A N THR 332.A O no hydrogen 2.929 N/A THR 287.A OG1 GLY 329.A O no hydrogen 2.942 N/A GLY 290.A N THR 287.A O no hydrogen 3.286 N/A ARG 291.A NH1 ASP 813.A OD2 no hydrogen 2.714 N/A TYR 301.A N HIS 298.A O no hydrogen 3.123 N/A LYS 304.A NZ VAL 294.A O no hydrogen 2.806 N/A TYR 305.A OH ASP 813.A OD2 no hydrogen 2.845 N/A LEU 306.A N ILE 284.A O no hydrogen 2.857 N/A LYS 307.A N TYR 804.A O no hydrogen 3.167 N/A ASN 308.A N ASN 283.A OD1 no hydrogen 2.390 N/A ASN 308.A ND2 LYS 340.A O no hydrogen 3.608 N/A LYS 309.A N LEU 282.A O no hydrogen 3.100 N/A LYS 309.A NZ ASP 802.A OD2 no hydrogen 3.535 N/A LYS 312.A NZ GLU 278.A O no hydrogen 3.102 N/A GLU 313.A N PRO 310.A O no hydrogen 2.927 N/A LEU 314.A N VAL 311.A O no hydrogen 3.088 N/A GLN 318.A N ARG 315.A O no hydrogen 2.994 N/A GLN 318.A NE2 ASP 802.A OD2 no hydrogen 2.772 N/A LEU 320.A N ASP 317.A O no hydrogen 3.236 N/A LYS 321.A N ASP 317.A O no hydrogen 3.456 N/A ILE 322.A N GLN 318.A O no hydrogen 3.062 N/A CYS 323.A N PHE 319.A O no hydrogen 2.883 N/A LEU 324.A N LEU 320.A O no hydrogen 2.935 N/A ALA 325.A N LYS 321.A O no hydrogen 2.872 N/A GLU 326.A N ILE 322.A O no hydrogen 2.890 N/A ASP 327.A N CYS 323.A O no hydrogen 2.809 N/A GLU 328.A N LEU 324.A O no hydrogen 2.913 N/A GLY 329.A N GLU 326.A O no hydrogen 3.126 N/A THR 332.A N THR 285.A O no hydrogen 2.971 N/A THR 333.A OG1 ASN 283.A O no hydrogen 3.278 N/A ASP 334.A N ASN 283.A O no hydrogen 2.888 N/A SER 336.A N LYS 281.A O no hydrogen 2.919 N/A SER 336.A OG ASP 338.A O no hydrogen 3.131 N/A GLN 342.A NE2 GLU 347.A OE2 no hydrogen 2.543 N/A TYR 344.A OH THR 275.A OG1 no hydrogen 3.280 N/A ILE 348.A N PHE 345.A O no hydrogen 2.996 N/A LYS 349.A N PHE 345.A O no hydrogen 3.243 N/A LYS 349.A NZ GLU 346.A OE1 no hydrogen 3.429 N/A PHE 351.A N ILE 348.A O no hydrogen 3.131 N/A TYR 352.A N LYS 349.A O no hydrogen 3.373 N/A TYR 352.A OH LEU 207.A O no hydrogen 2.739 N/A ARG 354.A N ASN 365.A OD1 no hydrogen 2.839 N/A ARG 354.A NE THR 225.A O no hydrogen 2.994 N/A ARG 354.A NH2 THR 225.A O no hydrogen 2.748 N/A GLN 360.A N SER 358.A O no hydrogen 2.807 N/A TRP 364.A NE1 ALA 230.A O no hydrogen 2.664 N/A ASN 365.A N VAL 361.A O no hydrogen 2.867 N/A ASN 365.A ND2 ARG 354.A O no hydrogen 2.861 N/A ARG 366.A N GLN 362.A O no hydrogen 2.923 N/A GLN 367.A N GLU 363.A O no hydrogen 2.925 N/A ARG 368.A N TRP 364.A O no hydrogen 2.878 N/A ARG 368.A NH2 ASN 365.A OD1 no hydrogen 3.101 N/A THR 369.A N ASN 365.A O no hydrogen 2.835 N/A THR 369.A OG1 ASN 365.A O no hydrogen 3.070 N/A MET 370.A N ARG 366.A O no hydrogen 2.967 N/A ALA 371.A N GLN 367.A O no hydrogen 2.948 N/A ILE 372.A N ARG 368.A O no hydrogen 3.038 N/A GLU 373.A N THR 369.A O no hydrogen 2.983 N/A ARG 374.A N MET 370.A O no hydrogen 3.153 N/A ARG 374.A NH2 GLU 252.A OE2 no hydrogen 3.087 N/A ALA 375.A N ALA 371.A O no hydrogen 3.092 N/A LEU 376.A N ILE 372.A O no hydrogen 2.809 N/A GLN 377.A N GLU 373.A O no hydrogen 2.841 N/A GLN 377.A N ARG 374.A O no hydrogen 3.269 N/A GLN 378.A N ARG 374.A O no hydrogen 2.932 N/A PHE 379.A N ALA 375.A O no hydrogen 3.348 N/A LEU 380.A N ALA 375.A O no hydrogen 3.205 N/A GLN 383.A N PHE 379.A O no hydrogen 3.342 N/A MET 384.A N LEU 380.A O no hydrogen 2.904 N/A ALA 385.A N TYR 381.A O no hydrogen 2.890 N/A LYS 386.A N VAL 382.A O no hydrogen 2.949 N/A GLU 387.A N GLN 383.A O no hydrogen 3.039 N/A LEU 388.A N MET 384.A O no hydrogen 3.009 N/A LYS 389.A N ALA 385.A O no hydrogen 2.913 N/A ASN 390.A N LYS 386.A O no hydrogen 2.914 N/A LYS 391.A N GLU 387.A O no hydrogen 2.879 N/A LEU 392.A N LEU 388.A O no hydrogen 2.926 N/A LEU 393.A N LYS 389.A O no hydrogen 2.895 N/A ALA 394.A N ASN 390.A O no hydrogen 2.939 N/A GLU 395.A N LYS 391.A O no hydrogen 2.918 N/A ALA 396.A N LEU 392.A O no hydrogen 2.959 N/A LYS 397.A N LEU 393.A O no hydrogen 2.882 N/A GLU 398.A N ALA 394.A O no hydrogen 2.858 N/A TYR 399.A N GLU 395.A O no hydrogen 3.101 N/A VAL 400.A N ALA 396.A O no hydrogen 3.037 N/A ILE 401.A N LYS 397.A O no hydrogen 3.011 N/A LYS 402.A N GLU 398.A O no hydrogen 2.989 N/A ALA 403.A N TYR 399.A O no hydrogen 2.967 N/A CYS 404.A N VAL 400.A O no hydrogen 2.985 N/A CYS 404.A SG VAL 400.A O no hydrogen 3.304 N/A SER 405.A N ILE 401.A O no hydrogen 2.942 N/A SER 405.A OG ILE 401.A O no hydrogen 3.236 N/A ARG 406.A N LYS 402.A O no hydrogen 2.917 N/A LYS 407.A N ALA 403.A O no hydrogen 2.993 N/A LEU 408.A N CYS 404.A O no hydrogen 2.970 N/A TYR 409.A N SER 405.A O no hydrogen 2.858 N/A ASN 410.A N ARG 406.A O no hydrogen 2.916 N/A TRP 411.A N LYS 407.A O no hydrogen 2.939 N/A LEU 412.A N LEU 408.A O no hydrogen 2.906 N/A ARG 413.A NE ARG 413.A O no hydrogen 3.039 N/A ALA 415.A N THR 698.A O no hydrogen 2.776 N/A ARG 422.A NH1 LYS 475.A O no hydrogen 2.782 N/A VAL 423.A N VAL 441.A O no hydrogen 2.883 N/A LEU 424.A N VAL 478.A O no hydrogen 2.946 N/A GLY 425.A N ALA 439.A O no hydrogen 2.732 N/A ILE 426.A N THR 480.A O no hydrogen 2.763 N/A ALA 427.A N PHE 437.A O no hydrogen 2.894 N/A SER 429.A OG ALA 431.A O no hydrogen 3.350 N/A SER 429.A OG HIS 434.A ND1 no hydrogen 3.115 N/A ARG 432.A NH1 ASP 487.A OD2 no hydrogen 2.813 N/A VAL 436.A N LEU 453.A O no hydrogen 2.914 N/A PHE 437.A N ALA 427.A O no hydrogen 3.018 N/A CYS 438.A N LEU 451.A O no hydrogen 3.147 N/A CYS 438.A SG LEU 451.A O no hydrogen 3.827 N/A ALA 439.A N GLY 425.A O no hydrogen 2.749 N/A LEU 440.A N ASP 449.A O no hydrogen 3.086 N/A VAL 441.A N VAL 423.A O no hydrogen 2.734 N/A ASN 442.A N GLU 446.A O no hydrogen 2.745 N/A GLY 445.A N ASN 442.A O no hydrogen 2.858 N/A ASP 449.A N LEU 440.A O no hydrogen 3.217 N/A LEU 451.A N CYS 438.A O no hydrogen 3.126 N/A LEU 453.A N VAL 436.A O no hydrogen 2.867 N/A LYS 460.A N GLU 456.A O no hydrogen 2.879 N/A ALA 461.A N ARG 457.A O no hydrogen 2.816 N/A GLN 462.A N GLU 458.A O no hydrogen 3.019 N/A ASP 463.A N LYS 459.A O no hydrogen 2.980 N/A ILE 464.A N LYS 460.A O no hydrogen 2.902 N/A GLU 465.A N ALA 461.A O no hydrogen 2.878 N/A THR 466.A N GLN 462.A O no hydrogen 2.973 N/A LEU 467.A N ASP 463.A O no hydrogen 2.943 N/A LYS 468.A N ILE 464.A O no hydrogen 2.970 N/A LYS 469.A N GLU 465.A O no hydrogen 2.962 N/A PHE 470.A N THR 466.A O no hydrogen 2.916 N/A LEU 471.A N LEU 467.A O no hydrogen 2.923 N/A LEU 472.A N LYS 468.A O no hydrogen 2.907 N/A ASN 473.A N LYS 469.A O no hydrogen 2.856 N/A LYS 474.A N PHE 470.A O no hydrogen 3.145 N/A LYS 474.A NZ ASP 449.A OD2 no hydrogen 2.462 N/A HIS 477.A N ARG 422.A O no hydrogen 2.924 N/A VAL 479.A N GLY 505.A O no hydrogen 3.046 N/A THR 480.A N LEU 424.A O no hydrogen 2.794 N/A VAL 481.A N GLU 507.A O no hydrogen 3.140 N/A ALA 482.A N ILE 426.A O no hydrogen 2.819 N/A GLY 483.A N VAL 509.A O no hydrogen 2.973 N/A ASN 485.A ND2 ASP 487.A OD2 no hydrogen 2.752 N/A ARG 486.A NH1 GLY 744.A O no hydrogen 2.330 N/A ASP 487.A N ASN 485.A OD1 no hydrogen 2.921 N/A ALA 488.A N ASN 485.A O no hydrogen 2.851 N/A MET 490.A N ARG 486.A O no hydrogen 2.954 N/A LEU 491.A N ASP 487.A O no hydrogen 2.877 N/A ILE 492.A N ALA 488.A O no hydrogen 2.897 N/A GLU 493.A N GLN 489.A O no hydrogen 2.939 N/A ASP 494.A N MET 490.A O no hydrogen 2.972 N/A VAL 495.A N LEU 491.A O no hydrogen 2.938 N/A LYS 496.A N ILE 492.A O no hydrogen 2.812 N/A ARG 497.A N GLU 493.A O no hydrogen 2.969 N/A ILE 498.A N ASP 494.A O no hydrogen 2.992 N/A VAL 499.A N VAL 495.A O no hydrogen 2.948 N/A HIS 500.A N LYS 496.A O no hydrogen 3.186 N/A HIS 500.A ND1 GLU 501.A OE2 no hydrogen 2.570 N/A GLU 501.A N ARG 497.A O no hydrogen 3.027 N/A LEU 502.A N ILE 498.A O no hydrogen 2.787 N/A ASP 503.A N VAL 499.A O no hydrogen 3.373 N/A GLY 505.A N HIS 477.A O no hydrogen 3.414 N/A GLU 507.A N VAL 479.A O no hydrogen 3.112 N/A VAL 509.A N VAL 481.A O no hydrogen 3.015 N/A ASN 511.A ND2 GLU 484.A OE1 no hydrogen 2.816 N/A ALA 514.A N ASN 511.A O no hydrogen 2.772 N/A TYR 517.A N LEU 513.A O no hydrogen 3.024 N/A TYR 517.A OH GLU 526.A OE1 no hydrogen 2.569 N/A MET 518.A N ALA 514.A O no hydrogen 2.887 N/A ASN 519.A N ILE 515.A O no hydrogen 3.147 N/A SER 520.A N TYR 517.A O no hydrogen 2.837 N/A LYS 522.A N SER 520.A OG no hydrogen 3.155 N/A LYS 522.A NZ ASP 560.A OD2 no hydrogen 3.030 N/A SER 523.A OG TYR 517.A O no hydrogen 2.766 N/A SER 523.A OG MET 518.A O no hydrogen 3.559 N/A SER 523.A OG SER 520.A O no hydrogen 2.526 N/A GLU 524.A N SER 520.A O no hydrogen 3.418 N/A ALA 525.A N LYS 521.A O no hydrogen 2.908 N/A GLU 526.A N LYS 522.A O no hydrogen 2.872 N/A PHE 527.A N SER 523.A O no hydrogen 2.773 N/A ARG 528.A NE ARG 528.A O no hydrogen 2.505 N/A ASP 529.A N ASP 529.A OD1 no hydrogen 2.507 N/A ARG 535.A N PRO 531.A O no hydrogen 3.118 N/A ARG 535.A NE MET 518.A O no hydrogen 3.442 N/A ARG 535.A NE SER 523.A OG no hydrogen 3.195 N/A ARG 535.A NH1 TYR 530.A O no hydrogen 3.130 N/A ARG 535.A NH2 MET 518.A O no hydrogen 2.816 N/A GLN 536.A N PRO 532.A O no hydrogen 3.003 N/A ALA 537.A N VAL 533.A O no hydrogen 3.004 N/A VAL 538.A N LEU 534.A O no hydrogen 3.001 N/A SER 539.A N ARG 535.A O no hydrogen 3.117 N/A SER 539.A OG ARG 535.A O no hydrogen 2.881 N/A SER 539.A OG GLN 536.A O no hydrogen 2.527 N/A LEU 540.A N GLN 536.A O no hydrogen 2.888 N/A ALA 541.A N ALA 537.A O no hydrogen 2.982 N/A ARG 542.A N VAL 538.A O no hydrogen 2.876 N/A ARG 543.A N SER 539.A O no hydrogen 2.846 N/A ILE 544.A N LEU 540.A O no hydrogen 2.976 N/A GLN 545.A N ALA 541.A O no hydrogen 2.935 N/A GLN 545.A NE2 ILE 421.A O no hydrogen 2.703 N/A ASP 546.A N ARG 542.A O no hydrogen 3.161 N/A GLU 550.A N ASP 546.A O no hydrogen 3.331 N/A PHE 551.A N PRO 547.A O no hydrogen 2.872 N/A ALA 552.A N LEU 548.A O no hydrogen 2.926 N/A GLN 553.A N ILE 549.A O no hydrogen 2.886 N/A VAL 554.A N GLU 550.A O no hydrogen 2.988 N/A CYS 555.A N PHE 551.A O no hydrogen 3.175 N/A SER 556.A OG ASP 560.A OD2 no hydrogen 3.387 N/A SER 557.A OG GLU 559.A OE1 no hydrogen 3.051 N/A SER 557.A OG GLU 559.A OE2 no hydrogen 2.984 N/A SER 557.A OG ASP 560.A OD2 no hydrogen 2.536 N/A GLU 559.A N ASP 558.A OD1 no hydrogen 2.623 N/A GLU 559.A N GLU 559.A OE1 no hydrogen 2.742 N/A ILE 561.A N SER 557.A O no hydrogen 3.199 N/A LEU 562.A N ASP 558.A O no hydrogen 2.861 N/A CYS 563.A N GLU 559.A O no hydrogen 2.767 N/A CYS 563.A SG GLU 559.A O no hydrogen 3.173 N/A LEU 564.A N ILE 561.A O no hydrogen 3.290 N/A PHE 566.A N GLN 570.A OE1 no hydrogen 2.786 N/A LEU 569.A N HIS 567.A ND1 no hydrogen 3.398 N/A GLN 570.A N HIS 567.A O no hydrogen 3.050 N/A GLN 570.A NE2 LEU 564.A O no hydrogen 2.765 N/A HIS 572.A N LEU 569.A O no hydrogen 3.212 N/A LEU 578.A N VAL 574.A O no hydrogen 3.271 N/A LEU 579.A N LYS 575.A O no hydrogen 2.923 N/A ASN 580.A N GLU 576.A O no hydrogen 2.868 N/A ALA 581.A N GLU 577.A O no hydrogen 2.957 N/A LEU 582.A N LEU 578.A O no hydrogen 2.909 N/A TYR 583.A N LEU 579.A O no hydrogen 2.898 N/A CYS 584.A N ASN 580.A O no hydrogen 2.906 N/A CYS 584.A SG ALA 581.A O no hydrogen 3.088 N/A GLU 585.A N ALA 581.A O no hydrogen 3.160 N/A PHE 586.A N LEU 582.A O no hydrogen 3.072 N/A ILE 587.A N TYR 583.A O no hydrogen 2.951 N/A ASN 588.A N CYS 584.A O no hydrogen 2.819 N/A ARG 589.A N GLU 585.A O no hydrogen 3.030 N/A VAL 590.A N PHE 586.A O no hydrogen 2.866 N/A ASN 591.A N ILE 587.A O no hydrogen 3.009 N/A ASN 591.A ND2 ILE 587.A O no hydrogen 2.730 N/A ASN 591.A ND2 TYR 612.A O no hydrogen 3.139 N/A GLU 592.A N ASN 588.A O no hydrogen 3.001 N/A VAL 593.A N ARG 589.A O no hydrogen 2.989 N/A GLY 594.A N VAL 590.A O no hydrogen 2.873 N/A ASN 598.A N ASP 596.A OD1 no hydrogen 3.159 N/A ASN 598.A ND2 ASP 662.A OD1 no hydrogen 2.947 N/A ALA 600.A N ASP 596.A O no hydrogen 3.143 N/A ILE 601.A N VAL 597.A O no hydrogen 2.933 N/A ALA 602.A N ASN 598.A O no hydrogen 2.928 N/A HIS 603.A N ARG 599.A O no hydrogen 2.636 N/A SER 606.A N HIS 603.A O no hydrogen 3.309 N/A GLN 607.A N PRO 604.A O no hydrogen 3.200 N/A GLN 607.A NE2 ALA 600.A O no hydrogen 2.862 N/A LEU 609.A N SER 606.A O no hydrogen 2.990 N/A ILE 610.A N GLN 607.A O no hydrogen 3.380 N/A GLN 611.A N ALA 608.A O no hydrogen 3.012 N/A TYR 612.A N LEU 609.A O no hydrogen 3.059 N/A VAL 613.A N ILE 610.A O no hydrogen 3.485 N/A CYS 614.A N ASN 591.A OD1 no hydrogen 3.106 N/A CYS 614.A SG ASN 654.A O no hydrogen 3.009 N/A GLY 615.A N GLU 88.A OE2 no hydrogen 3.204 N/A LEU 616.A N VAL 613.A O no hydrogen 2.803 N/A ARG 619.A NE ASP 23.A OD1 no hydrogen 2.778 N/A ARG 619.A NH1 GLU 33.A OE2 no hydrogen 3.228 N/A LYS 620.A N GLU 33.A OE1 no hydrogen 3.326 N/A LYS 620.A NZ ILE 26.A O no hydrogen 3.502 N/A LYS 620.A NZ ARG 27.A O no hydrogen 2.738 N/A LYS 620.A NZ THR 29.A O no hydrogen 3.011 N/A GLY 621.A N GLY 617.A O no hydrogen 2.987 N/A THR 622.A N PRO 618.A O no hydrogen 2.924 N/A THR 622.A OG1 PRO 618.A O no hydrogen 2.652 N/A THR 622.A OG1 ARG 619.A O no hydrogen 2.639 N/A HIS 623.A N ARG 619.A O no hydrogen 2.923 N/A LEU 624.A N LYS 620.A O no hydrogen 2.911 N/A LEU 625.A N GLY 621.A O no hydrogen 2.923 N/A LYS 626.A N THR 622.A O no hydrogen 2.785 N/A ILE 627.A N HIS 623.A O no hydrogen 2.871 N/A LEU 628.A N LEU 624.A O no hydrogen 2.892 N/A LYS 629.A N LEU 625.A O no hydrogen 2.819 N/A GLN 630.A N LYS 626.A O no hydrogen 2.961 N/A ASN 631.A N ILE 627.A O no hydrogen 2.919 N/A ASN 632.A N LEU 628.A O no hydrogen 2.881 N/A ASN 632.A N LYS 629.A O no hydrogen 3.130 N/A THR 633.A OG1 ASN 631.A OD1 no hydrogen 2.652 N/A ARG 634.A NH2 LEU 635.A O no hydrogen 3.337 N/A ARG 634.A NH2 ASP 662.A O no hydrogen 3.069 N/A LEU 635.A N ASN 598.A OD1 no hydrogen 3.010 N/A GLU 636.A N GLU 636.A OE1 no hydrogen 2.734 N/A ARG 638.A N ASP 666.A OD2 no hydrogen 2.712 N/A ARG 638.A NE TYR 675.A OH no hydrogen 2.755 N/A ARG 638.A NH1 ALA 656.A O no hydrogen 2.745 N/A ARG 638.A NH2 LEU 665.A O no hydrogen 3.248 N/A ARG 638.A NH2 SER 668.A O no hydrogen 2.738 N/A GLN 640.A N SER 637.A O no hydrogen 2.878 N/A LEU 641.A N ARG 638.A O no hydrogen 3.256 N/A THR 643.A OG1 THR 639.A O no hydrogen 2.509 N/A MET 644.A N GLN 640.A O no hydrogen 2.968 N/A LYS 650.A N ASP 30.A OD2 no hydrogen 3.268 N/A LYS 650.A NZ HIS 86.A ND1 no hydrogen 3.542 N/A PHE 652.A N PRO 649.A O no hydrogen 2.803 N/A MET 653.A N PRO 649.A O no hydrogen 3.105 N/A ASN 654.A N LYS 650.A O no hydrogen 3.171 N/A ASN 654.A ND2 HIS 86.A O no hydrogen 2.998 N/A ASN 654.A ND2 LYS 650.A O no hydrogen 3.279 N/A CYS 655.A N VAL 651.A O no hydrogen 2.888 N/A CYS 655.A SG VAL 651.A O no hydrogen 3.335 N/A ALA 656.A N PHE 652.A O no hydrogen 2.894 N/A PHE 658.A N CYS 655.A O no hydrogen 2.883 N/A LYS 660.A N VAL 595.A O no hydrogen 2.610 N/A ASP 666.A N GLU 663.A O no hydrogen 3.235 N/A GLY 667.A N VAL 664.A O no hydrogen 3.266 N/A SER 668.A OG LEU 665.A O no hydrogen 2.655 N/A ARG 669.A N GLU 688.A OE2 no hydrogen 2.838 N/A HIS 671.A NE2 MET 653.A O no hydrogen 2.700 N/A GLU 673.A N HIS 671.A ND1 no hydrogen 3.449 N/A THR 674.A N HIS 671.A O no hydrogen 2.847 N/A TYR 675.A N PRO 672.A O no hydrogen 2.940 N/A TYR 675.A OH ASP 666.A OD1 no hydrogen 2.533 N/A THR 681.A OG1 GLU 98.A OE1 no hydrogen 2.848 N/A LEU 682.A N LYS 678.A O no hydrogen 3.011 N/A TYR 683.A N HIS 679.A O no hydrogen 2.908 N/A ASP 684.A N ILE 680.A O no hydrogen 2.959 N/A ILE 685.A N THR 681.A O no hydrogen 2.870 N/A ARG 686.A N LEU 682.A O no hydrogen 2.927 N/A ALA 687.A N TYR 683.A O no hydrogen 3.016 N/A GLU 688.A N ASP 684.A O no hydrogen 2.823 N/A LEU 689.A N ILE 685.A O no hydrogen 2.804 N/A SER 690.A N ARG 686.A O no hydrogen 2.962 N/A SER 690.A OG ARG 686.A O no hydrogen 2.796 N/A CYS 691.A N ALA 687.A O no hydrogen 3.366 N/A CYS 691.A SG ARG 692.A O no hydrogen 4.001 N/A ARG 692.A NE GLY 667.A O no hydrogen 2.969 N/A TYR 693.A N GLU 688.A OE2 no hydrogen 2.615 N/A ARG 697.A NH1 ASP 546.A OD1 no hydrogen 2.997 N/A ARG 697.A NH2 ASP 546.A OD1 no hydrogen 2.722 N/A THR 698.A OG1 ARG 413.A O no hydrogen 3.413 N/A SER 702.A OG GLU 507.A OE2 no hydrogen 2.438 N/A THR 705.A N ASN 704.A OD1 no hydrogen 2.586 N/A THR 705.A OG1 ASN 704.A OD1 no hydrogen 3.458 N/A ILE 708.A N ASN 704.A O no hydrogen 2.780 N/A PHE 709.A N THR 705.A O no hydrogen 2.873 N/A ASN 710.A N GLU 706.A O no hydrogen 2.859 N/A ASN 710.A ND2 GLU 715.A O no hydrogen 2.595 N/A MET 711.A N GLU 707.A O no hydrogen 2.705 N/A LEU 712.A N ILE 708.A O no hydrogen 2.825 N/A THR 713.A N PHE 709.A O no hydrogen 2.885 N/A THR 713.A OG1 PHE 709.A O no hydrogen 2.751 N/A LYS 714.A N ASN 710.A O no hydrogen 3.086 N/A LYS 714.A NZ GLY 483.A O no hydrogen 2.816 N/A LYS 714.A NZ GLU 484.A O no hydrogen 3.565 N/A LYS 714.A NZ MET 711.A O no hydrogen 2.367 N/A THR 716.A OG1 THR 719.A OG1 no hydrogen 2.701 N/A THR 719.A N THR 716.A OG1 no hydrogen 3.099 N/A THR 719.A OG1 THR 716.A OG1 no hydrogen 2.701 N/A PHE 720.A N THR 716.A O no hydrogen 2.917 N/A TYR 721.A N THR 719.A O no hydrogen 2.684 N/A ILE 726.A N CYS 769.A O no hydrogen 2.782 N/A CYS 728.A N VAL 767.A O no hydrogen 2.820 N/A CYS 728.A SG VAL 767.A O no hydrogen 3.551 N/A ASN 729.A N ARG 740.A O no hydrogen 2.889 N/A VAL 730.A N MET 765.A O no hydrogen 3.210 N/A THR 731.A N LYS 738.A O no hydrogen 2.817 N/A GLY 732.A N LYS 738.A O no hydrogen 3.323 N/A VAL 737.A N PHE 748.A O no hydrogen 3.413 N/A LYS 738.A N GLY 732.A O no hydrogen 2.775 N/A THR 739.A N GLY 747.A O no hydrogen 3.220 N/A THR 739.A OG1 GLY 747.A O no hydrogen 3.489 N/A ARG 740.A N ASN 729.A O no hydrogen 2.762 N/A LEU 741.A N VAL 745.A O no hydrogen 3.361 N/A ASN 743.A ND2 ASP 742.A OD1 no hydrogen 3.398 N/A VAL 745.A N ASN 743.A OD1 no hydrogen 3.222 N/A THR 746.A N PHE 779.A O no hydrogen 2.957 N/A GLY 747.A N THR 739.A O no hydrogen 3.049 N/A PHE 748.A N ALA 781.A O no hydrogen 2.662 N/A LYS 752.A NZ LYS 752.A O no hydrogen 3.273 N/A ARG 760.A N PRO 757.A O no hydrogen 3.153 N/A VAL 761.A N PRO 757.A O no hydrogen 3.135 N/A VAL 767.A N CYS 728.A O no hydrogen 2.909 N/A CYS 769.A N ILE 726.A O no hydrogen 2.832 N/A CYS 769.A SG HIS 768.A O no hydrogen 3.180 N/A CYS 769.A SG THR 784.A O no hydrogen 3.189 N/A ARG 770.A NE ASP 789.A O no hydrogen 2.533 N/A ARG 770.A NH1 GLY 723.A O no hydrogen 3.446 N/A ARG 770.A NH2 ASP 789.A O no hydrogen 3.285 N/A ILE 771.A N LYS 724.A O no hydrogen 3.350 N/A MET 772.A N ASP 782.A O no hydrogen 2.929 N/A LYS 773.A N ASP 782.A O no hydrogen 3.432 N/A ASP 775.A N SER 780.A O no hydrogen 2.972 N/A GLU 777.A N GLU 777.A OE1 no hydrogen 2.542 N/A LYS 778.A N ASP 775.A O no hydrogen 2.989 N/A LYS 778.A N ASP 775.A OD1 no hydrogen 3.068 N/A SER 780.A N ASP 775.A O no hydrogen 3.030 N/A ALA 781.A N THR 746.A O no hydrogen 2.974 N/A ASP 782.A N LYS 773.A O no hydrogen 3.210 N/A THR 784.A N ARG 770.A O no hydrogen 2.732 N/A THR 784.A OG1 ARG 770.A O no hydrogen 3.364 N/A ARG 786.A NE ASP 789.A OD2 no hydrogen 2.831 N/A ARG 786.A NH2 ASP 789.A OD2 no hydrogen 2.805 N/A ASP 789.A N ARG 786.A O no hydrogen 2.885 N/A LEU 790.A N THR 787.A O no hydrogen 3.087 N/A ARG 793.A N SER 788.A O no hydrogen 3.408 N/A LYS 798.A NZ GLU 296.A OE2 no hydrogen 3.041 N/A LYS 801.A NZ TYR 805.A OH no hydrogen 3.512 N/A TYR 805.A OH GLU 810.A OE1 no hydrogen 2.925 N/A ASP 806.A N TYR 305.A O no hydrogen 3.151 N/A PHE 807.A N TYR 805.A O no hydrogen 2.928 N/A ALA 809.A N ASP 806.A OD1 no hydrogen 2.887 N/A GLU 810.A N ASP 806.A O no hydrogen 2.829 N/A ALA 811.A N PHE 807.A O no hydrogen 2.753 N/A ALA 812.A N ASP 808.A O no hydrogen 2.977 N/A ASP 813.A N ALA 809.A O no hydrogen 3.172 N/A HIS 814.A N GLU 810.A O no hydrogen 3.005 N/A LYS 815.A N ALA 811.A O no hydrogen 2.901 N/A GLN 816.A N ALA 812.A O no hydrogen 3.109 N/A