Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8bcw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 LEU 19.A O no hydrogen 2.861 N/A ARG 4.A NH1 HIS 29.A O no hydrogen 3.368 N/A ARG 4.A NH2 HIS 29.A O no hydrogen 3.265 N/A THR 5.A N HIS 1.A O no hydrogen 3.071 N/A THR 5.A OG1 HIS 1.A O no hydrogen 2.660 N/A LEU 6.A N PHE 2.A O no hydrogen 2.917 N/A ALA 7.A N SER 3.A O no hydrogen 2.883 N/A LYS 8.A N ARG 4.A O no hydrogen 2.946 N/A THR 12.A N GLY 9.A O no hydrogen 3.298 N/A THR 13.A N GLN 683.A O no hydrogen 3.253 N/A ILE 16.A N THR 13.A O no hydrogen 2.949 N/A ASN 18.A N THR 14.A O no hydrogen 3.195 N/A LEU 19.A N TRP 15.A O no hydrogen 2.762 N/A HIS 20.A N TRP 17.A O no hydrogen 2.981 N/A HIS 20.A ND1 ILE 16.A O no hydrogen 3.230 N/A ALA 21.A N TRP 17.A O no hydrogen 2.943 N/A ASP 22.A N ASN 18.A O no hydrogen 3.113 N/A SER 28.A N ASP 25.A O no hydrogen 3.164 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.731 N/A HIS 29.A N PHE 26.A O no hydrogen 2.915 N/A HIS 29.A NE2 ASP 22.A O no hydrogen 3.071 N/A THR 30.A N PHE 26.A O no hydrogen 3.381 N/A ASP 32.A N THR 30.A OG1 no hydrogen 3.279 N/A GLU 35.A N ASP 32.A OD2 no hydrogen 3.421 N/A ILE 36.A N ASP 32.A O no hydrogen 3.227 N/A SER 37.A N LEU 33.A O no hydrogen 2.933 N/A SER 37.A OG LEU 33.A O no hydrogen 2.750 N/A ARG 38.A N GLU 34.A O no hydrogen 2.968 N/A ARG 38.A NE PRO 153.A O no hydrogen 2.817 N/A ARG 38.A NH2 PRO 153.A O no hydrogen 3.333 N/A LYS 39.A N GLU 35.A O no hydrogen 2.944 N/A LYS 39.A NZ TYR 148.A OH no hydrogen 2.945 N/A VAL 40.A N ILE 36.A O no hydrogen 2.924 N/A PHE 41.A N SER 37.A O no hydrogen 2.962 N/A SER 42.A N ARG 38.A O no hydrogen 3.035 N/A SER 42.A OG GLY 144.A O no hydrogen 2.839 N/A ALA 43.A N LYS 39.A O no hydrogen 2.934 N/A HIS 44.A N VAL 40.A O no hydrogen 2.943 N/A PHE 45.A N PHE 41.A O no hydrogen 3.091 N/A GLY 46.A N SER 42.A O no hydrogen 3.037 N/A GLN 47.A N ALA 43.A O no hydrogen 2.969 N/A GLN 47.A NE2 GLN 47.A O no hydrogen 2.846 N/A LEU 48.A N HIS 44.A O no hydrogen 3.002 N/A SER 49.A N PHE 45.A O no hydrogen 2.977 N/A SER 49.A OG ALA 137.A O no hydrogen 2.916 N/A ILE 50.A N GLY 46.A O no hydrogen 3.023 N/A ILE 51.A N GLN 47.A O no hydrogen 2.995 N/A PHE 52.A N LEU 48.A O no hydrogen 2.966 N/A LEU 53.A N SER 49.A O no hydrogen 2.997 N/A TRP 54.A N ILE 50.A O no hydrogen 2.967 N/A LEU 55.A N ILE 51.A O no hydrogen 2.963 N/A SER 56.A N PHE 52.A O no hydrogen 2.926 N/A SER 56.A OG ALA 130.A O no hydrogen 2.900 N/A GLY 57.A N LEU 53.A O no hydrogen 2.947 N/A MET 58.A N TRP 54.A O no hydrogen 3.014 N/A TYR 59.A N LEU 55.A O no hydrogen 2.985 N/A PHE 60.A N SER 56.A O no hydrogen 2.908 N/A HIS 61.A N GLY 57.A O no hydrogen 2.919 N/A GLY 62.A N MET 58.A O no hydrogen 2.969 N/A ALA 63.A N TYR 59.A O no hydrogen 2.943 N/A ARG 64.A N PHE 60.A O no hydrogen 2.901 N/A PHE 65.A N HIS 61.A O no hydrogen 2.991 N/A SER 66.A OG GLY 62.A O no hydrogen 2.190 N/A ASN 67.A N SER 81.A O no hydrogen 3.398 N/A ASN 67.A ND2 GLY 79.A O no hydrogen 3.152 N/A TYR 68.A OH ILE 120.A O no hydrogen 2.613 N/A TRP 71.A N ASN 67.A O no hydrogen 2.867 N/A LEU 72.A N TYR 68.A O no hydrogen 2.890 N/A SER 73.A N ALA 70.A O no hydrogen 3.195 N/A ASP 74.A N TRP 71.A O no hydrogen 3.057 N/A THR 76.A OG1 HIS 77.A ND1 no hydrogen 2.992 N/A GLY 79.A N VAL 98.A O no hydrogen 3.183 N/A SER 81.A N ASN 67.A OD1 no hydrogen 3.115 N/A SER 81.A OG ILE 105.A O no hydrogen 2.810 N/A VAL 85.A N ASN 95.A OD1 no hydrogen 3.271 N/A ILE 88.A N TRP 86.A O no hydrogen 2.982 N/A GLN 91.A N ILE 88.A O no hydrogen 2.759 N/A GLN 91.A NE2 TRP 86.A O no hydrogen 3.126 N/A LEU 94.A N GLN 91.A O no hydrogen 2.948 N/A ASN 95.A N GLU 92.A O no hydrogen 3.035 N/A ASN 95.A ND2 VAL 85.A O no hydrogen 3.165 N/A GLY 96.A N GLY 104.A O no hydrogen 3.102 N/A VAL 98.A N PHE 102.A O no hydrogen 3.418 N/A ARG 103.A NE ASN 95.A O no hydrogen 2.877 N/A ARG 103.A NH2 ASN 95.A O no hydrogen 3.013 N/A GLY 104.A N GLY 96.A O no hydrogen 3.068 N/A ILE 105.A N GLN 83.A O no hydrogen 2.875 N/A ILE 107.A N PRO 80.A O no hydrogen 3.164 N/A THR 108.A OG1 SER 356.A OG no hydrogen 3.024 N/A GLN 113.A N GLN 113.A OE1 no hydrogen 2.712 N/A GLN 113.A NE2 TYR 346.A O no hydrogen 3.485 N/A GLN 113.A NE2 ASP 350.A OD2 no hydrogen 3.222 N/A LEU 114.A N GLY 110.A O no hydrogen 3.307 N/A TRP 115.A N PHE 111.A O no hydrogen 2.884 N/A ARG 116.A N PHE 112.A O no hydrogen 2.896 N/A ARG 116.A NH1 LEU 72.A O no hydrogen 3.125 N/A ALA 117.A N GLN 113.A O no hydrogen 2.907 N/A SER 118.A N LEU 114.A O no hydrogen 2.934 N/A SER 118.A OG LEU 114.A O no hydrogen 3.153 N/A GLY 119.A N ARG 116.A O no hydrogen 3.139 N/A ILE 120.A N TRP 115.A O no hydrogen 3.082 N/A THR 121.A N GLN 125.A OE1 no hydrogen 2.928 N/A SER 122.A N GLN 125.A OE1 no hydrogen 3.464 N/A TYR 127.A N GLU 123.A O no hydrogen 2.922 N/A CYS 128.A N LEU 124.A O no hydrogen 2.915 N/A CYS 128.A SG LEU 124.A O no hydrogen 3.182 N/A THR 129.A N GLN 125.A O no hydrogen 2.952 N/A THR 129.A OG1 GLN 125.A O no hydrogen 2.769 N/A ALA 130.A N LEU 126.A O no hydrogen 2.942 N/A ILE 131.A N TYR 127.A O no hydrogen 2.944 N/A GLY 132.A N CYS 128.A O no hydrogen 2.946 N/A ALA 133.A N THR 129.A O no hydrogen 2.897 N/A LEU 134.A N ALA 130.A O no hydrogen 2.958 N/A ILE 135.A N ILE 131.A O no hydrogen 2.969 N/A PHE 136.A N GLY 132.A O no hydrogen 2.923 N/A ALA 137.A N ALA 133.A O no hydrogen 2.910 N/A ALA 138.A N LEU 134.A O no hydrogen 3.010 N/A LEU 139.A N ILE 135.A O no hydrogen 2.924 N/A MET 140.A N PHE 136.A O no hydrogen 2.888 N/A LEU 141.A N ALA 137.A O no hydrogen 2.997 N/A PHE 142.A N ALA 138.A O no hydrogen 2.969 N/A ALA 143.A N LEU 139.A O no hydrogen 2.901 N/A GLY 144.A N MET 140.A O no hydrogen 2.898 N/A TRP 145.A N LEU 141.A O no hydrogen 3.020 N/A PHE 146.A N PHE 142.A O no hydrogen 2.882 N/A HIS 147.A N ALA 143.A O no hydrogen 2.919 N/A TYR 148.A OH GLU 35.A OE2 no hydrogen 2.886 N/A HIS 149.A N TRP 145.A O no hydrogen 2.945 N/A LYS 150.A N PHE 146.A O no hydrogen 3.120 N/A ALA 151.A N PHE 146.A O no hydrogen 2.824 N/A LEU 155.A N GLU 34.A OE1 no hydrogen 3.136 N/A TRP 157.A N LYS 154.A O no hydrogen 3.166 N/A GLN 159.A N LEU 155.A O no hydrogen 3.254 N/A GLN 159.A NE2 THR 313.A O no hydrogen 3.291 N/A ASP 160.A N TRP 157.A O no hydrogen 3.451 N/A SER 163.A N ASP 160.A OD1 no hydrogen 3.361 N/A SER 163.A OG HIS 167.A ND1 no hydrogen 3.253 N/A MET 164.A N ASP 160.A O no hydrogen 3.128 N/A LEU 165.A N VAL 161.A O no hydrogen 2.900 N/A ASN 166.A N GLU 162.A O no hydrogen 2.960 N/A ASN 166.A ND2 TYR 279.A O no hydrogen 2.840 N/A HIS 167.A N SER 163.A O no hydrogen 2.923 N/A HIS 167.A ND1 SER 163.A O no hydrogen 2.851 N/A HIS 168.A N MET 164.A O no hydrogen 2.903 N/A LEU 169.A N LEU 165.A O no hydrogen 2.894 N/A ALA 170.A N ASN 166.A O no hydrogen 2.951 N/A GLY 171.A N HIS 167.A O no hydrogen 2.856 N/A LEU 172.A N HIS 167.A O no hydrogen 3.167 N/A GLY 174.A N LEU 169.A O no hydrogen 3.340 N/A SER 177.A N LEU 173.A O no hydrogen 2.910 N/A SER 177.A OG HIS 265.A O no hydrogen 2.685 N/A LEU 178.A N GLY 174.A O no hydrogen 2.943 N/A SER 179.A N LEU 175.A O no hydrogen 2.896 N/A SER 179.A OG LEU 175.A O no hydrogen 3.046 N/A SER 179.A OG GLY 176.A O no hydrogen 2.855 N/A TRP 180.A N GLY 176.A O no hydrogen 2.942 N/A ALA 181.A N SER 177.A O no hydrogen 2.895 N/A GLY 182.A N LEU 178.A O no hydrogen 2.944 N/A HIS 183.A N SER 179.A O no hydrogen 2.984 N/A HIS 183.A NE2 SER 118.A O no hydrogen 3.297 N/A GLN 184.A N TRP 180.A O no hydrogen 2.904 N/A ILE 185.A N ALA 181.A O no hydrogen 2.916 N/A HIS 186.A N GLY 182.A O no hydrogen 2.958 N/A VAL 187.A N HIS 183.A O no hydrogen 2.777 N/A SER 188.A N HIS 183.A O no hydrogen 3.324 N/A SER 188.A OG GLN 184.A O no hydrogen 2.976 N/A LEU 189.A N GLN 184.A O no hydrogen 2.998 N/A ILE 191.A N VAL 187.A O no hydrogen 3.358 N/A ASN 192.A N SER 188.A O no hydrogen 2.928 N/A ASN 192.A ND2 ARG 116.A O no hydrogen 3.050 N/A ASN 192.A ND2 ALA 117.A O no hydrogen 3.571 N/A ASN 192.A ND2 SER 188.A O no hydrogen 2.952 N/A GLN 193.A N LEU 189.A O no hydrogen 2.954 N/A PHE 194.A N PRO 190.A O no hydrogen 2.916 N/A LEU 195.A N ILE 191.A O no hydrogen 2.896 N/A ASP 196.A N ASN 192.A O no hydrogen 2.883 N/A ALA 197.A N GLN 193.A O no hydrogen 2.951 N/A ALA 197.A N PHE 194.A O no hydrogen 3.123 N/A GLY 198.A N LEU 195.A O no hydrogen 3.119 N/A VAL 199.A N PHE 194.A O no hydrogen 3.388 N/A GLU 203.A N ASP 200.A O no hydrogen 2.819 N/A ILE 204.A N PRO 201.A O no hydrogen 3.463 N/A GLU 209.A N LEU 206.A O no hydrogen 3.070 N/A ILE 211.A N HIS 208.A O no hydrogen 2.920 N/A LEU 212.A N HIS 208.A O no hydrogen 2.851 N/A ASP 215.A N ASN 213.A OD1 no hydrogen 3.174 N/A ALA 218.A N ARG 214.A O no hydrogen 2.828 N/A GLN 219.A N ASP 215.A O no hydrogen 3.352 N/A LEU 220.A N LEU 217.A O no hydrogen 3.378 N/A TYR 221.A N LEU 217.A O no hydrogen 3.238 N/A SER 223.A N GLU 241.A OE1 no hydrogen 2.918 N/A SER 223.A OG LYS 238.A O no hydrogen 3.020 N/A PHE 224.A N TYR 221.A O no hydrogen 3.222 N/A ALA 225.A N PRO 222.A O no hydrogen 2.902 N/A GLU 226.A N SER 223.A O no hydrogen 2.932 N/A GLY 227.A N PHE 224.A O no hydrogen 3.193 N/A PHE 232.A N ALA 228.A O no hydrogen 3.383 N/A THR 233.A N THR 229.A O no hydrogen 2.931 N/A THR 233.A OG1 THR 229.A O no hydrogen 2.916 N/A THR 233.A OG1 PRO 230.A O no hydrogen 3.259 N/A ASN 235.A N PRO 230.A O no hydrogen 3.001 N/A SER 237.A OG ASN 235.A OD1 no hydrogen 3.457 N/A LYS 238.A N ASN 235.A O no hydrogen 3.395 N/A LYS 238.A NZ ASN 235.A OD1 no hydrogen 2.829 N/A TYR 239.A N TRP 236.A O no hydrogen 2.924 N/A TYR 239.A OH GLY 227.A O no hydrogen 2.806 N/A ALA 240.A N SER 237.A O no hydrogen 2.922 N/A THR 244.A OG1 THR 259.A OG1 no hydrogen 2.434 N/A THR 244.A OG1 ASP 260.A OD1 no hydrogen 2.307 N/A ARG 246.A N ASP 260.A OD1 no hydrogen 3.290 N/A GLY 247.A N ASP 260.A OD2 no hydrogen 2.968 N/A ASP 250.A N GLY 255.A O no hydrogen 2.599 N/A VAL 252.A N ASP 250.A OD1 no hydrogen 3.238 N/A THR 253.A OG1 ASP 250.A OD2 no hydrogen 3.488 N/A GLY 254.A N ASP 250.A O no hydrogen 2.847 N/A LEU 256.A N PRO 342.A O no hydrogen 2.963 N/A THR 259.A OG1 THR 244.A OG1 no hydrogen 2.434 N/A ILE 261.A N TRP 257.A O no hydrogen 3.261 N/A ALA 262.A N LEU 258.A O no hydrogen 2.918 N/A HIS 263.A N THR 259.A O no hydrogen 2.987 N/A HIS 264.A N ASP 260.A O no hydrogen 2.871 N/A HIS 265.A N ILE 261.A O no hydrogen 2.918 N/A HIS 265.A ND1 GLN 184.A OE1 no hydrogen 3.066 N/A LEU 266.A N ALA 262.A O no hydrogen 2.980 N/A ALA 267.A N HIS 263.A O no hydrogen 2.980 N/A ILE 268.A N HIS 264.A O no hydrogen 2.893 N/A ALA 269.A N HIS 265.A O no hydrogen 2.913 N/A ILE 270.A N LEU 266.A O no hydrogen 3.034 N/A LEU 271.A N ALA 267.A O no hydrogen 2.946 N/A PHE 272.A N ILE 268.A O no hydrogen 2.945 N/A LEU 273.A N ALA 269.A O no hydrogen 2.934 N/A ILE 274.A N ILE 270.A O no hydrogen 2.972 N/A ALA 275.A N LEU 271.A O no hydrogen 2.928 N/A GLY 276.A N PHE 272.A O no hydrogen 2.929 N/A HIS 277.A N ILE 274.A O no hydrogen 3.320 N/A HIS 277.A ND1 LEU 273.A O no hydrogen 2.840 N/A TYR 279.A N ASN 166.A OD1 no hydrogen 3.417 N/A ARG 280.A N HIS 287.A O no hydrogen 2.860 N/A HIS 287.A N MET 278.A O no hydrogen 2.754 N/A LYS 290.A NZ GLU 294.A OE2 no hydrogen 2.930 N/A ILE 292.A N GLY 288.A O no hydrogen 2.783 N/A LEU 293.A N LEU 289.A O no hydrogen 2.929 N/A GLU 294.A N LYS 290.A O no hydrogen 2.900 N/A ALA 295.A N ILE 292.A O no hydrogen 3.230 N/A HIS 296.A N LEU 293.A O no hydrogen 3.461 N/A HIS 296.A ND1 ILE 292.A O no hydrogen 3.111 N/A THR 301.A N PRO 299.A O no hydrogen 2.745 N/A THR 301.A OG1 PHE 300.A O no hydrogen 2.530 N/A LEU 308.A N HIS 305.A O no hydrogen 3.509 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.486 N/A ILE 311.A N GLY 307.A O no hydrogen 3.393 N/A LEU 312.A N LEU 308.A O no hydrogen 2.908 N/A THR 313.A OG1 TYR 309.A O no hydrogen 2.258 N/A THR 314.A N ILE 311.A O no hydrogen 3.275 N/A THR 314.A OG1 GLU 310.A O no hydrogen 2.877 N/A SER 315.A OG ASP 383.A OD2 no hydrogen 2.757 N/A TRP 316.A NE1 SER 37.A OG no hydrogen 3.104 N/A HIS 317.A NE2 ASP 27.A OD1 no hydrogen 3.231 N/A GLN 319.A NE2 LEU 312.A O no hydrogen 2.978 N/A LEU 320.A N TRP 316.A O no hydrogen 2.916 N/A SER 321.A N HIS 317.A O no hydrogen 2.892 N/A SER 321.A OG ALA 372.A O no hydrogen 2.651 N/A LEU 322.A N ALA 318.A O no hydrogen 3.039 N/A ASN 323.A N GLN 319.A O no hydrogen 2.928 N/A LEU 324.A N LEU 320.A O no hydrogen 2.861 N/A ALA 325.A N SER 321.A O no hydrogen 3.039 N/A MET 326.A N LEU 322.A O no hydrogen 3.059 N/A LEU 327.A N ASN 323.A O no hydrogen 2.891 N/A GLY 328.A N LEU 324.A O no hydrogen 2.940 N/A SER 329.A N ALA 325.A O no hydrogen 3.078 N/A SER 329.A OG ALA 325.A O no hydrogen 3.206 N/A THR 330.A N MET 326.A O no hydrogen 2.945 N/A THR 330.A OG1 MET 326.A O no hydrogen 2.957 N/A THR 331.A N LEU 327.A O no hydrogen 2.948 N/A THR 331.A OG1 LEU 327.A O no hydrogen 2.789 N/A ILE 332.A N GLY 328.A O no hydrogen 3.097 N/A VAL 333.A N SER 329.A O no hydrogen 3.010 N/A VAL 334.A N THR 330.A O no hydrogen 2.865 N/A ALA 335.A N THR 331.A O no hydrogen 2.997 N/A HIS 336.A N ILE 332.A O no hydrogen 3.134 N/A HIS 337.A N VAL 333.A O no hydrogen 2.923 N/A MET 338.A N VAL 334.A O no hydrogen 2.872 N/A TYR 339.A N ALA 335.A O no hydrogen 3.061 N/A SER 340.A N HIS 336.A O no hydrogen 3.032 N/A SER 340.A OG HIS 336.A O no hydrogen 3.027 N/A SER 340.A OG HIS 337.A O no hydrogen 3.441 N/A MET 341.A N HIS 337.A O no hydrogen 3.024 N/A TYR 346.A N THR 253.A O no hydrogen 2.784 N/A LEU 347.A N TYR 344.A O no hydrogen 3.378 N/A ASP 350.A N LEU 347.A O no hydrogen 3.237 N/A TYR 351.A OH VAL 489.A O no hydrogen 2.813 N/A TYR 351.A OH GLY 588.A O no hydrogen 3.203 N/A THR 353.A N ASP 350.A OD1 no hydrogen 3.312 N/A GLN 354.A N ASP 350.A O no hydrogen 3.218 N/A LEU 355.A N TYR 351.A O no hydrogen 2.975 N/A SER 356.A N GLY 352.A O no hydrogen 2.935 N/A SER 356.A OG THR 108.A OG1 no hydrogen 3.024 N/A SER 356.A OG GLY 352.A O no hydrogen 2.925 N/A LEU 357.A N THR 353.A O no hydrogen 2.895 N/A PHE 358.A N GLN 354.A O no hydrogen 3.029 N/A THR 359.A N LEU 355.A O no hydrogen 3.026 N/A THR 359.A OG1 LEU 355.A O no hydrogen 2.951 N/A HIS 360.A N SER 356.A O no hydrogen 2.895 N/A HIS 361.A N LEU 357.A O no hydrogen 3.044 N/A MET 362.A N PHE 358.A O no hydrogen 3.037 N/A TRP 363.A N THR 359.A O no hydrogen 3.018 N/A ILE 364.A N HIS 360.A O no hydrogen 3.027 N/A GLY 365.A N HIS 361.A O no hydrogen 2.996 N/A GLY 366.A N MET 362.A O no hydrogen 3.030 N/A PHE 367.A N TRP 363.A O no hydrogen 3.051 N/A LEU 368.A N ILE 364.A O no hydrogen 3.016 N/A ILE 369.A N GLY 365.A O no hydrogen 3.022 N/A VAL 370.A N GLY 366.A O no hydrogen 3.118 N/A GLY 371.A N PHE 367.A O no hydrogen 2.993 N/A ALA 372.A N LEU 368.A O no hydrogen 2.951 N/A ALA 373.A N ILE 369.A O no hydrogen 3.117 N/A ALA 374.A N VAL 370.A O no hydrogen 3.008 N/A HIS 375.A N GLY 371.A O no hydrogen 3.008 N/A ALA 376.A N ALA 372.A O no hydrogen 2.984 N/A ALA 377.A N ALA 373.A O no hydrogen 3.020 N/A ILE 378.A N ALA 374.A O no hydrogen 2.982 N/A PHE 379.A N HIS 375.A O no hydrogen 2.962 N/A MET 380.A N ALA 376.A O no hydrogen 3.008 N/A VAL 381.A N ALA 377.A O no hydrogen 2.993 N/A ARG 382.A N ILE 378.A O no hydrogen 2.910 N/A ARG 382.A NH1 ASP 25.A OD1 no hydrogen 3.101 N/A ARG 382.A NH2 ASP 25.A OD2 no hydrogen 3.165 N/A ASP 383.A N PHE 379.A O no hydrogen 2.957 N/A TYR 384.A N PHE 379.A O no hydrogen 3.212 N/A THR 387.A N ASP 385.A OD1 no hydrogen 3.358 N/A THR 387.A OG1 ASP 385.A OD1 no hydrogen 3.030 N/A THR 388.A N ASP 385.A O no hydrogen 3.337 N/A THR 388.A OG1 ASP 385.A OD2 no hydrogen 2.978 N/A ARG 389.A N ASP 385.A O no hydrogen 2.951 N/A TYR 390.A OH ASP 392.A OD1 no hydrogen 3.309 N/A ASN 391.A ND2 GLY 304.A O no hydrogen 2.794 N/A ASN 391.A ND2 LYS 306.A O no hydrogen 2.940 N/A LEU 394.A N ASN 391.A OD1 no hydrogen 3.144 N/A ASP 395.A N ASN 391.A O no hydrogen 3.408 N/A ARG 396.A N ASP 392.A O no hydrogen 2.942 N/A VAL 397.A N LEU 393.A O no hydrogen 2.964 N/A LEU 398.A N LEU 394.A O no hydrogen 2.936 N/A ARG 399.A N ASP 395.A O no hydrogen 2.905 N/A ARG 399.A NH1 ASP 395.A OD2 no hydrogen 2.497 N/A HIS 400.A N ARG 396.A O no hydrogen 3.050 N/A HIS 400.A N VAL 397.A O no hydrogen 3.177 N/A HIS 400.A ND1 ARG 396.A O no hydrogen 2.708 N/A ARG 401.A NH1 LEU 523.A O no hydrogen 3.100 N/A ILE 404.A N HIS 400.A O no hydrogen 3.065 N/A ILE 405.A N ARG 401.A O no hydrogen 2.936 N/A SER 406.A N ASP 402.A O no hydrogen 2.948 N/A SER 406.A OG ASP 402.A O no hydrogen 3.314 N/A SER 406.A OG ALA 403.A O no hydrogen 2.934 N/A HIS 407.A N ALA 403.A O no hydrogen 3.029 N/A HIS 407.A ND1 ALA 403.A O no hydrogen 2.998 N/A LEU 408.A N ILE 404.A O no hydrogen 3.033 N/A ASN 409.A N ILE 405.A O no hydrogen 2.896 N/A TRP 410.A N SER 406.A O no hydrogen 3.012 N/A VAL 411.A N HIS 407.A O no hydrogen 2.995 N/A CYS 412.A N LEU 408.A O no hydrogen 2.969 N/A CYS 412.A SG LEU 408.A O no hydrogen 3.393 N/A ILE 413.A N ASN 409.A O no hydrogen 3.034 N/A PHE 414.A N TRP 410.A O no hydrogen 2.927 N/A LEU 415.A N VAL 411.A O no hydrogen 2.942 N/A GLY 416.A N CYS 412.A O no hydrogen 2.913 N/A PHE 417.A N ILE 413.A O no hydrogen 2.994 N/A HIS 418.A N PHE 414.A O no hydrogen 2.956 N/A HIS 418.A ND1 PHE 414.A O no hydrogen 3.225 N/A SER 419.A N GLY 416.A O no hydrogen 3.434 N/A SER 419.A OG LEU 415.A O no hydrogen 2.543 N/A PHE 420.A N GLY 416.A O no hydrogen 2.959 N/A GLY 421.A N PHE 417.A O no hydrogen 2.943 N/A LEU 422.A N SER 419.A O no hydrogen 3.309 N/A ILE 424.A N PHE 420.A O no hydrogen 3.040 N/A HIS 425.A N GLY 421.A O no hydrogen 2.813 N/A HIS 425.A NE2 ASP 437.A O no hydrogen 3.072 N/A ASN 426.A N LEU 422.A O no hydrogen 2.926 N/A ASN 426.A ND2 PHE 439.A O no hydrogen 3.156 N/A ASN 426.A ND2 ILE 609.A O no hydrogen 2.997 N/A ASP 427.A N TYR 423.A O no hydrogen 2.929 N/A THR 428.A N ILE 424.A O no hydrogen 2.943 N/A THR 428.A OG1 ILE 424.A O no hydrogen 3.032 N/A MET 429.A N HIS 425.A O no hydrogen 2.911 N/A SER 430.A N ASN 426.A O no hydrogen 2.902 N/A ALA 431.A N ASP 427.A O no hydrogen 2.942 N/A LEU 432.A N THR 428.A O no hydrogen 3.058 N/A GLY 433.A N SER 430.A O no hydrogen 3.126 N/A ARG 434.A N MET 429.A O no hydrogen 2.955 N/A ARG 434.A NE ASP 437.A OD2 no hydrogen 3.064 N/A ARG 434.A NH2 ASP 437.A OD2 no hydrogen 3.135 N/A GLN 436.A N GLN 436.A OE1 no hydrogen 2.707 N/A ASP 437.A N ARG 434.A O no hydrogen 3.145 N/A MET 438.A N PRO 435.A O no hydrogen 3.316 N/A PHE 439.A N ASN 426.A OD1 no hydrogen 2.756 N/A SER 440.A N ILE 444.A O no hydrogen 2.915 N/A GLN 445.A NE2 ASP 441.A O no hydrogen 2.825 N/A GLN 447.A NE2 ASP 441.A OD1 no hydrogen 3.255 N/A GLN 447.A NE2 GLN 445.A OE1 no hydrogen 3.225 N/A GLN 452.A N PRO 448.A O no hydrogen 3.017 N/A GLN 452.A NE2 GLN 447.A OE1 no hydrogen 3.205 N/A GLN 452.A NE2 LEU 496.A O no hydrogen 2.979 N/A TRP 453.A N ILE 449.A O no hydrogen 2.874 N/A VAL 454.A N PHE 450.A O no hydrogen 2.943 N/A GLN 455.A N ALA 451.A O no hydrogen 2.886 N/A GLN 455.A NE2 ILE 494.A O no hydrogen 3.185 N/A ASN 456.A N GLN 452.A O no hydrogen 2.910 N/A ILE 457.A N TRP 453.A O no hydrogen 2.928 N/A HIS 458.A N VAL 454.A O no hydrogen 2.950 N/A ALA 459.A N GLN 455.A O no hydrogen 2.890 N/A THR 460.A N ASN 456.A O no hydrogen 2.930 N/A THR 460.A OG1 ASN 456.A O no hydrogen 2.936 N/A THR 460.A OG1 ILE 457.A O no hydrogen 3.463 N/A GLY 463.A N ALA 466.A O no hydrogen 3.243 N/A VAL 464.A N ALA 461.A O no hydrogen 3.153 N/A THR 465.A N ALA 461.A O no hydrogen 3.220 N/A THR 465.A OG1 ALA 461.A O no hydrogen 3.451 N/A ALA 466.A N ALA 461.A O no hydrogen 3.377 N/A ALA 469.A N ALA 466.A O no hydrogen 3.211 N/A THR 471.A N ARG 246.A O no hydrogen 3.066 N/A THR 471.A OG1 ARG 246.A O no hydrogen 3.410 N/A SER 472.A OG SER 474.A O no hydrogen 2.991 N/A SER 474.A OG SER 340.A O no hydrogen 3.335 N/A SER 474.A OG THR 476.A OG1 no hydrogen 2.888 N/A THR 476.A N SER 474.A OG no hydrogen 2.987 N/A THR 476.A OG1 SER 474.A OG no hydrogen 2.888 N/A TRP 477.A NE1 THR 473.A OG1 no hydrogen 2.876 N/A VAL 483.A N LEU 491.A O no hydrogen 2.979 N/A VAL 485.A N LYS 488.A O no hydrogen 2.868 N/A LYS 488.A N VAL 485.A O no hydrogen 3.115 N/A LYS 488.A NZ THR 349.A O no hydrogen 2.720 N/A LYS 488.A NZ GLY 720.A O no hydrogen 3.144 N/A VAL 489.A N GLY 588.A O no hydrogen 3.119 N/A ALA 490.A N VAL 483.A O no hydrogen 2.745 N/A ILE 494.A N THR 476.A O no hydrogen 3.293 N/A GLY 497.A N ASP 500.A OD2 no hydrogen 2.714 N/A THR 498.A N ASP 441.A OD1 no hydrogen 3.263 N/A THR 498.A OG1 ASP 441.A OD1 no hydrogen 2.809 N/A PHE 501.A N GLY 497.A O no hydrogen 3.193 N/A LEU 502.A N THR 498.A O no hydrogen 2.984 N/A VAL 503.A N ALA 499.A O no hydrogen 2.954 N/A HIS 504.A N ASP 500.A O no hydrogen 2.923 N/A HIS 504.A ND1 ASP 500.A O no hydrogen 2.951 N/A HIS 505.A N PHE 501.A O no hydrogen 3.086 N/A HIS 505.A ND1 PHE 501.A O no hydrogen 3.076 N/A ILE 506.A N LEU 502.A O no hydrogen 2.980 N/A HIS 507.A N VAL 503.A O no hydrogen 2.979 N/A HIS 507.A NE2 HIS 577.A ND1 no hydrogen 3.044 N/A ALA 508.A N HIS 504.A O no hydrogen 2.999 N/A PHE 509.A N HIS 505.A O no hydrogen 2.970 N/A THR 510.A N ILE 506.A O no hydrogen 3.005 N/A THR 510.A OG1 ILE 506.A O no hydrogen 3.510 N/A THR 510.A OG1 HIS 507.A O no hydrogen 2.903 N/A ILE 511.A N HIS 507.A O no hydrogen 2.999 N/A HIS 512.A N ALA 508.A O no hydrogen 2.968 N/A HIS 512.A ND1 ALA 508.A O no hydrogen 3.123 N/A VAL 513.A N PHE 509.A O no hydrogen 3.016 N/A THR 514.A N THR 510.A O no hydrogen 3.017 N/A THR 514.A OG1 THR 510.A O no hydrogen 3.044 N/A VAL 515.A N ILE 511.A O no hydrogen 2.951 N/A LEU 516.A N HIS 512.A O no hydrogen 2.905 N/A ILE 517.A N VAL 513.A O no hydrogen 3.038 N/A LEU 518.A N THR 514.A O no hydrogen 3.042 N/A LEU 519.A N VAL 515.A O no hydrogen 2.845 N/A LYS 520.A N LEU 516.A O no hydrogen 2.948 N/A LYS 520.A NZ HIS 559.A NE2 no hydrogen 3.078 N/A GLY 521.A N ILE 517.A O no hydrogen 3.016 N/A VAL 522.A N LEU 518.A O no hydrogen 2.994 N/A LEU 523.A N LEU 519.A O no hydrogen 2.900 N/A PHE 524.A N LYS 520.A O no hydrogen 3.187 N/A ALA 525.A N VAL 522.A O no hydrogen 3.293 N/A ARG 526.A NH1 MET 380.A O no hydrogen 3.044 N/A SER 528.A N ILE 531.A O no hydrogen 3.143 N/A ARG 529.A NH1 ASP 402.A OD2 no hydrogen 3.062 N/A ILE 531.A N SER 528.A OG no hydrogen 3.133 N/A LYS 534.A NZ PHE 524.A O no hydrogen 2.792 N/A LYS 534.A NZ VAL 554.A O no hydrogen 3.058 N/A ASN 536.A N ASP 533.A O no hydrogen 3.155 N/A LEU 537.A N LYS 534.A O no hydrogen 3.167 N/A ARG 540.A NH2 ASP 22.A OD1 no hydrogen 3.211 N/A ASP 544.A N THR 551.A OG1 no hydrogen 3.060 N/A ARG 548.A NH1 ASP 544.A OD2 no hydrogen 2.919 N/A ARG 548.A NH2 ASP 544.A OD2 no hydrogen 3.150 N/A GLY 550.A N GLY 547.A O no hydrogen 2.700 N/A THR 551.A N GLY 545.A O no hydrogen 3.259 N/A THR 551.A OG1 GLY 545.A O no hydrogen 2.635 N/A GLN 553.A N PRO 542.A O no hydrogen 3.292 N/A SER 555.A OG PHE 541.A O no hydrogen 3.085 N/A SER 555.A OG ASP 558.A OD2 no hydrogen 2.455 N/A TRP 557.A N PHE 539.A O no hydrogen 3.423 N/A HIS 559.A N SER 555.A O no hydrogen 3.325 N/A HIS 559.A ND1 SER 555.A O no hydrogen 2.751 N/A VAL 560.A N ALA 556.A O no hydrogen 3.012 N/A PHE 561.A N TRP 557.A O no hydrogen 2.906 N/A LEU 562.A N ASP 558.A O no hydrogen 2.989 N/A GLY 563.A N HIS 559.A O no hydrogen 2.901 N/A LEU 564.A N VAL 560.A O no hydrogen 2.981 N/A TRP 566.A N LEU 562.A O no hydrogen 3.170 N/A MET 567.A N GLY 563.A O no hydrogen 2.869 N/A TYR 568.A N LEU 564.A O no hydrogen 2.965 N/A ASN 569.A N PHE 565.A O no hydrogen 2.985 N/A ALA 570.A N TRP 566.A O no hydrogen 2.989 N/A ILE 571.A N MET 567.A O no hydrogen 2.944 N/A SER 572.A N TYR 568.A O no hydrogen 2.951 N/A SER 572.A OG TYR 568.A O no hydrogen 2.935 N/A VAL 573.A N ASN 569.A O no hydrogen 3.082 N/A VAL 574.A N ALA 570.A O no hydrogen 3.005 N/A ILE 575.A N ILE 571.A O no hydrogen 2.956 N/A PHE 576.A N SER 572.A O no hydrogen 2.968 N/A HIS 577.A N VAL 573.A O no hydrogen 2.931 N/A HIS 577.A ND1 HIS 507.A NE2 no hydrogen 3.044 N/A PHE 578.A N VAL 574.A O no hydrogen 2.996 N/A SER 579.A N ILE 575.A O no hydrogen 2.952 N/A TRP 580.A N PHE 576.A O no hydrogen 3.012 N/A TRP 580.A NE1 ASN 603.A OD1 no hydrogen 3.294 N/A LYS 581.A N HIS 577.A O no hydrogen 2.962 N/A LYS 581.A NZ PRO 495.A O no hydrogen 3.123 N/A LYS 581.A NZ ASP 500.A OD1 no hydrogen 3.300 N/A LYS 581.A NZ ASP 500.A OD2 no hydrogen 3.430 N/A LYS 581.A NZ ASP 585.A OD2 no hydrogen 2.907 N/A MET 582.A N PHE 578.A O no hydrogen 2.950 N/A GLN 583.A N SER 579.A O no hydrogen 3.002 N/A GLN 583.A NE2 SER 579.A O no hydrogen 3.391 N/A GLN 583.A NE2 GLN 622.A OE1 no hydrogen 2.995 N/A SER 584.A N TRP 580.A O no hydrogen 2.920 N/A SER 584.A OG ASP 585.A OD1 no hydrogen 2.950 N/A ASP 585.A N LYS 581.A O no hydrogen 2.950 N/A VAL 586.A N MET 582.A O no hydrogen 3.170 N/A TRP 587.A N MET 582.A O no hydrogen 2.892 N/A GLY 588.A N TYR 351.A OH no hydrogen 3.401 N/A THR 589.A N THR 597.A O no hydrogen 2.921 N/A ILE 590.A N GLY 487.A O no hydrogen 3.065 N/A SER 591.A N MET 595.A O no hydrogen 2.842 N/A SER 591.A OG MET 595.A O no hydrogen 3.499 N/A GLY 594.A N SER 591.A O no hydrogen 3.188 N/A MET 595.A N SER 591.A OG no hydrogen 3.105 N/A THR 597.A N THR 589.A O no hydrogen 2.891 N/A HIS 598.A ND1 TRP 587.A O no hydrogen 3.031 N/A ILE 599.A N TRP 587.A O no hydrogen 3.333 N/A THR 600.A N GLN 583.A O no hydrogen 3.397 N/A THR 600.A OG1 ASN 603.A OD1 no hydrogen 3.260 N/A GLY 601.A N HIS 598.A O no hydrogen 3.250 N/A PHE 604.A N SER 584.A OG no hydrogen 3.016 N/A SER 607.A N ASN 603.A O no hydrogen 3.076 N/A SER 607.A OG ASN 603.A O no hydrogen 3.303 N/A SER 607.A OG ASP 617.A OD2 no hydrogen 2.763 N/A SER 608.A N PHE 604.A O no hydrogen 3.167 N/A SER 608.A OG PHE 604.A O no hydrogen 2.470 N/A ILE 611.A N ASP 427.A OD2 no hydrogen 2.863 N/A ASN 612.A N ASP 427.A OD1 no hydrogen 3.319 N/A GLY 613.A N THR 610.A OG1 no hydrogen 3.137 N/A TRP 614.A N THR 610.A O no hydrogen 3.389 N/A TRP 614.A NE1 SER 608.A O no hydrogen 3.115 N/A LEU 615.A N ILE 611.A O no hydrogen 2.934 N/A ARG 616.A N ASN 612.A O no hydrogen 2.908 N/A ARG 616.A NE ASP 617.A OD1 no hydrogen 3.009 N/A ARG 616.A NH2 ASP 617.A OD2 no hydrogen 3.210 N/A ASP 617.A N GLY 613.A O no hydrogen 2.885 N/A PHE 618.A N TRP 614.A O no hydrogen 3.318 N/A LEU 619.A N TRP 614.A O no hydrogen 3.134 N/A TRP 620.A N LEU 615.A O no hydrogen 3.090 N/A ALA 621.A N ARG 616.A O no hydrogen 3.013 N/A GLN 622.A N PHE 618.A O no hydrogen 3.192 N/A ALA 623.A N LEU 619.A O no hydrogen 2.956 N/A SER 624.A OG ALA 621.A O no hydrogen 2.960 N/A ILE 627.A N ALA 623.A O no hydrogen 3.017 N/A GLN 628.A N SER 624.A O no hydrogen 3.138 N/A SER 629.A OG VAL 626.A O no hydrogen 3.043 N/A SER 629.A OG LEU 634.A O no hydrogen 3.258 N/A SER 632.A N SER 629.A O no hydrogen 3.187 N/A SER 632.A OG SER 629.A O no hydrogen 2.633 N/A LEU 634.A N SER 632.A OG no hydrogen 3.321 N/A SER 635.A OG SER 632.A O no hydrogen 3.238 N/A TYR 637.A N LEU 634.A O no hydrogen 2.950 N/A LEU 639.A N SER 635.A O no hydrogen 2.991 N/A PHE 640.A N ALA 636.A O no hydrogen 2.897 N/A PHE 641.A N TYR 637.A O no hydrogen 2.842 N/A LEU 642.A N GLY 638.A O no hydrogen 3.043 N/A GLY 643.A N LEU 639.A O no hydrogen 2.928 N/A ALA 644.A N PHE 640.A O no hydrogen 2.852 N/A HIS 645.A N PHE 641.A O no hydrogen 3.063 N/A PHE 646.A N LEU 642.A O no hydrogen 2.962 N/A VAL 647.A N GLY 643.A O no hydrogen 2.928 N/A TRP 648.A N ALA 644.A O no hydrogen 2.964 N/A ALA 649.A N HIS 645.A O no hydrogen 2.985 N/A PHE 650.A N PHE 646.A O no hydrogen 2.895 N/A SER 651.A N VAL 647.A O no hydrogen 3.049 N/A SER 651.A N TRP 648.A O no hydrogen 3.240 N/A SER 651.A OG TRP 648.A O no hydrogen 2.797 N/A LEU 652.A N ALA 649.A O no hydrogen 3.249 N/A MET 653.A N PHE 650.A O no hydrogen 3.210 N/A LEU 655.A N SER 651.A O no hydrogen 3.030 N/A PHE 656.A N LEU 652.A O no hydrogen 2.901 N/A SER 657.A OG MET 653.A O no hydrogen 2.712 N/A ARG 659.A NE LEU 687.A O no hydrogen 2.919 N/A ARG 659.A NH2 GLN 663.A OE1 no hydrogen 3.414 N/A ARG 659.A NH2 ALA 686.A O no hydrogen 2.903 N/A TRP 662.A NE1 SER 657.A OG no hydrogen 3.203 N/A GLN 663.A N ARG 659.A O no hydrogen 2.932 N/A GLN 663.A NE2 GLN 663.A O no hydrogen 3.258 N/A GLU 664.A N GLY 660.A O no hydrogen 3.014 N/A LEU 665.A N TYR 661.A O no hydrogen 2.979 N/A ILE 666.A N TRP 662.A O no hydrogen 2.899 N/A GLU 667.A N GLN 663.A O no hydrogen 3.031 N/A ILE 669.A N LEU 665.A O no hydrogen 3.101 N/A VAL 670.A N ILE 666.A O no hydrogen 2.833 N/A TRP 671.A N GLU 667.A O no hydrogen 2.975 N/A ALA 672.A N SER 668.A O no hydrogen 2.984 N/A HIS 673.A N ILE 669.A O no hydrogen 2.968 N/A HIS 673.A ND1 ILE 669.A O no hydrogen 2.906 N/A ASN 674.A N VAL 670.A O no hydrogen 2.868 N/A LYS 675.A N TRP 671.A O no hydrogen 2.961 N/A LYS 677.A N ASN 674.A O no hydrogen 3.050 N/A VAL 678.A N HIS 673.A O no hydrogen 3.096 N/A GLN 683.A N ASP 11.A O no hydrogen 3.152 N/A ALA 686.A N GLN 663.A OE1 no hydrogen 2.992 N/A GLN 691.A N SER 688.A OG no hydrogen 3.290 N/A GLY 692.A N SER 688.A O no hydrogen 2.746 N/A ARG 693.A N ILE 689.A O no hydrogen 3.025 N/A ARG 693.A NH1 PRO 542.A O no hydrogen 3.221 N/A ARG 693.A NH1 ASP 558.A OD1 no hydrogen 2.693 N/A ALA 694.A N ILE 690.A O no hydrogen 2.917 N/A VAL 695.A N GLN 691.A O no hydrogen 2.885 N/A GLY 696.A N GLY 692.A O no hydrogen 2.965 N/A VAL 697.A N ARG 693.A O no hydrogen 2.977 N/A THR 698.A N ALA 694.A O no hydrogen 2.964 N/A THR 698.A OG1 ALA 694.A O no hydrogen 2.919 N/A HIS 699.A N VAL 695.A O no hydrogen 3.001 N/A HIS 699.A ND1 VAL 695.A O no hydrogen 2.814 N/A TYR 700.A N GLY 696.A O no hydrogen 2.941 N/A LEU 701.A N VAL 697.A O no hydrogen 2.968 N/A LEU 702.A N THR 698.A O no hydrogen 2.949 N/A GLY 703.A N HIS 699.A O no hydrogen 2.932 N/A GLY 704.A N TYR 700.A O no hydrogen 3.026 N/A ILE 705.A N LEU 701.A O no hydrogen 2.957 N/A ALA 706.A N LEU 702.A O no hydrogen 2.935 N/A THR 707.A N GLY 703.A O no hydrogen 2.942 N/A THR 707.A OG1 GLY 703.A O no hydrogen 2.717 N/A THR 708.A N GLY 704.A O no hydrogen 3.064 N/A THR 708.A OG1 GLY 704.A O no hydrogen 3.461 N/A TRP 709.A N ILE 705.A O no hydrogen 2.882 N/A ALA 710.A N ALA 706.A O no hydrogen 2.976 N/A PHE 711.A N THR 707.A O no hydrogen 3.020 N/A PHE 712.A N THR 708.A O no hydrogen 2.889 N/A LEU 713.A N TRP 709.A O no hydrogen 3.001 N/A ALA 714.A N ALA 710.A O no hydrogen 2.981 N/A ARG 715.A N PHE 711.A O no hydrogen 3.023 N/A ARG 715.A NE GLN 583.A OE1 no hydrogen 2.951 N/A ARG 715.A NH1 GLN 625.A OE1 no hydrogen 3.127 N/A ARG 715.A NH2 GLN 583.A OE1 no hydrogen 3.186 N/A ILE 716.A N PHE 712.A O no hydrogen 2.935 N/A ILE 717.A N LEU 713.A O no hydrogen 2.942 N/A ALA 718.A N ALA 714.A O no hydrogen 2.982 N/A VAL 719.A N ARG 715.A O no hydrogen 2.959 N/A GLY 720.A N ILE 716.A O no hydrogen 2.779 N/A