Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9m4f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 THR 1.A O no hydrogen 2.625 N/A LYS 2.A NZ ARG 303.A O no hydrogen 3.426 N/A LYS 2.A NZ THR 304.A O no hydrogen 2.670 N/A VAL 3.A N ASN 305.A OD1 no hydrogen 2.850 N/A GLU 8.A N ALA 175.A O no hydrogen 2.860 N/A ASP 10.A N LYS 173.A O no hydrogen 2.525 N/A ALA 20.A N GLU 17.A O no hydrogen 3.327 N/A LYS 21.A N LYS 18.A O no hydrogen 2.801 N/A HIS 24.A N LYS 21.A O no hydrogen 3.176 N/A LEU 29.A N SER 26.A OG no hydrogen 3.257 N/A GLY 32.A N LEU 29.A O no hydrogen 3.373 N/A THR 36.A N GLN 705.A O no hydrogen 2.852 N/A THR 36.A OG1 GLN 705.A O no hydrogen 3.560 N/A TRP 38.A NE1 LEU 29.A O no hydrogen 2.702 N/A ASN 41.A N THR 37.A O no hydrogen 2.934 N/A LEU 42.A N TRP 38.A O no hydrogen 2.844 N/A HIS 43.A N TRP 40.A O no hydrogen 2.881 N/A HIS 43.A ND1 ILE 39.A O no hydrogen 2.941 N/A ALA 44.A N TRP 40.A O no hydrogen 3.040 N/A ALA 44.A N ASN 41.A O no hydrogen 2.927 N/A ASP 45.A N ASN 41.A O no hydrogen 2.953 N/A ASP 48.A N ASP 45.A O no hydrogen 3.394 N/A SER 51.A N ASP 48.A O no hydrogen 3.058 N/A SER 51.A OG ASP 48.A O no hydrogen 2.725 N/A GLN 52.A N PHE 49.A O no hydrogen 2.784 N/A GLN 52.A NE2 ASP 45.A O no hydrogen 2.790 N/A GLN 52.A NE2 ALA 46.A O no hydrogen 3.000 N/A THR 53.A N PHE 49.A O no hydrogen 3.252 N/A THR 53.A OG1 SER 55.A O no hydrogen 3.405 N/A VAL 59.A N SER 55.A O no hydrogen 3.491 N/A SER 60.A N LEU 56.A O no hydrogen 2.876 N/A SER 60.A OG LEU 56.A O no hydrogen 2.769 N/A ARG 61.A N GLU 57.A O no hydrogen 3.012 N/A ARG 61.A NE PRO 176.A O no hydrogen 3.004 N/A ARG 61.A NH1 GLU 8.A OE1 no hydrogen 2.867 N/A ARG 61.A NH2 GLU 8.A OE1 no hydrogen 3.004 N/A LYS 62.A N ASP 58.A O no hydrogen 3.067 N/A LYS 62.A NZ TYR 171.A OH no hydrogen 3.100 N/A ILE 63.A N VAL 59.A O no hydrogen 2.940 N/A PHE 64.A N SER 60.A O no hydrogen 2.999 N/A SER 65.A N ARG 61.A O no hydrogen 3.193 N/A SER 65.A OG ARG 61.A O no hydrogen 3.512 N/A SER 65.A OG GLY 167.A O no hydrogen 3.090 N/A ALA 66.A N LYS 62.A O no hydrogen 2.872 N/A HIS 67.A N ILE 63.A O no hydrogen 2.898 N/A PHE 68.A N PHE 64.A O no hydrogen 3.014 N/A GLY 69.A N SER 65.A O no hydrogen 2.927 N/A GLN 70.A N ALA 66.A O no hydrogen 2.900 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 2.742 N/A LEU 71.A N HIS 67.A O no hydrogen 2.929 N/A ALA 72.A N PHE 68.A O no hydrogen 2.935 N/A VAL 73.A N GLY 69.A O no hydrogen 2.941 N/A ILE 74.A N GLN 70.A O no hydrogen 2.905 N/A PHE 75.A N LEU 71.A O no hydrogen 2.905 N/A LEU 76.A N ALA 72.A O no hydrogen 2.928 N/A TRP 77.A N VAL 73.A O no hydrogen 2.913 N/A LEU 78.A N ILE 74.A O no hydrogen 2.916 N/A SER 79.A N PHE 75.A O no hydrogen 2.874 N/A SER 79.A OG ALA 153.A O no hydrogen 2.725 N/A GLY 80.A N LEU 76.A O no hydrogen 2.901 N/A MET 81.A N TRP 77.A O no hydrogen 2.950 N/A HIS 82.A N LEU 78.A O no hydrogen 2.936 N/A HIS 82.A ND1 LEU 78.A O no hydrogen 2.680 N/A PHE 83.A N SER 79.A O no hydrogen 2.881 N/A HIS 84.A N GLY 80.A O no hydrogen 2.932 N/A HIS 84.A ND1 GLY 80.A O no hydrogen 2.441 N/A GLY 85.A N MET 81.A O no hydrogen 2.986 N/A ALA 86.A N HIS 82.A O no hydrogen 2.940 N/A TYR 87.A N PHE 83.A O no hydrogen 2.884 N/A PHE 88.A N HIS 84.A O no hydrogen 2.906 N/A SER 89.A OG GLY 85.A O no hydrogen 2.682 N/A ASN 90.A N SER 104.A O no hydrogen 3.412 N/A ASN 90.A ND2 LYS 102.A O no hydrogen 3.206 N/A TYR 91.A N SER 89.A OG no hydrogen 2.994 N/A TRP 94.A N ASN 90.A O no hydrogen 2.988 N/A LEU 95.A N TYR 91.A O no hydrogen 2.858 N/A ASN 96.A N LEU 92.A O no hydrogen 2.942 N/A ASN 97.A N ALA 93.A O no hydrogen 3.110 N/A THR 99.A OG1 ASN 97.A OD1 no hydrogen 3.443 N/A SER 100.A N ASN 97.A OD1 no hydrogen 3.022 N/A ILE 101.A N ASN 97.A O no hydrogen 3.228 N/A LYS 102.A N VAL 121.A O no hydrogen 3.366 N/A SER 104.A N ASN 90.A OD1 no hydrogen 3.294 N/A SER 104.A OG ASN 90.A OD1 no hydrogen 3.435 N/A VAL 108.A N ASN 118.A OD1 no hydrogen 3.339 N/A GLN 114.A NE2 TRP 109.A O no hydrogen 2.628 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.627 N/A ILE 116.A N GLY 113.A O no hydrogen 3.487 N/A LEU 117.A N GLN 114.A O no hydrogen 2.899 N/A ASN 118.A N GLU 115.A O no hydrogen 2.859 N/A ASN 118.A ND2 VAL 108.A O no hydrogen 3.382 N/A ALA 119.A N GLY 127.A O no hydrogen 2.933 N/A GLY 127.A N ALA 119.A O no hydrogen 3.360 N/A VAL 128.A N GLN 106.A O no hydrogen 2.738 N/A ILE 130.A N PRO 103.A O no hydrogen 3.082 N/A THR 131.A OG1 SER 379.A OG no hydrogen 3.141 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.480 N/A GLN 136.A NE2 TYR 369.A O no hydrogen 3.335 N/A GLN 136.A NE2 ASP 373.A OD2 no hydrogen 3.034 N/A LEU 137.A N GLY 133.A O no hydrogen 3.173 N/A TRP 138.A N PHE 134.A O no hydrogen 2.886 N/A ARG 139.A N PHE 135.A O no hydrogen 2.905 N/A ARG 139.A NH1 LEU 95.A O no hydrogen 3.436 N/A ALA 140.A N GLN 136.A O no hydrogen 2.911 N/A GLU 141.A N LEU 137.A O no hydrogen 3.139 N/A GLU 141.A N TRP 138.A O no hydrogen 3.015 N/A GLY 142.A N ARG 139.A O no hydrogen 2.874 N/A ILE 143.A N TRP 138.A O no hydrogen 3.273 N/A THR 144.A OG1 ILE 143.A O no hydrogen 2.358 N/A SER 145.A OG ILE 143.A O no hydrogen 3.362 N/A SER 145.A OG GLN 148.A OE1 no hydrogen 2.525 N/A TYR 150.A N GLU 146.A O no hydrogen 2.902 N/A TRP 151.A N ILE 147.A O no hydrogen 2.924 N/A THR 152.A N GLN 148.A O no hydrogen 2.857 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.413 N/A ALA 153.A N LEU 149.A O no hydrogen 2.930 N/A ILE 154.A N TYR 150.A O no hydrogen 2.934 N/A GLY 155.A N TRP 151.A O no hydrogen 2.884 N/A ALA 156.A N THR 152.A O no hydrogen 2.908 N/A LEU 157.A N ALA 153.A O no hydrogen 2.910 N/A VAL 158.A N ILE 154.A O no hydrogen 2.944 N/A MET 159.A N GLY 155.A O no hydrogen 2.879 N/A SER 160.A N ALA 156.A O no hydrogen 2.874 N/A SER 160.A OG ALA 72.A O no hydrogen 2.787 N/A GLY 161.A N LEU 157.A O no hydrogen 2.963 N/A LEU 162.A N VAL 158.A O no hydrogen 2.889 N/A MET 163.A N MET 159.A O no hydrogen 2.861 N/A LEU 164.A N SER 160.A O no hydrogen 2.959 N/A PHE 165.A N GLY 161.A O no hydrogen 2.919 N/A ALA 166.A N LEU 162.A O no hydrogen 2.825 N/A GLY 167.A N MET 163.A O no hydrogen 2.932 N/A TRP 168.A N LEU 164.A O no hydrogen 2.985 N/A TRP 168.A NE1 THR 14.A OG1 no hydrogen 3.211 N/A PHE 169.A N PHE 165.A O no hydrogen 2.831 N/A HIS 170.A N ALA 166.A O no hydrogen 2.867 N/A HIS 170.A ND1 ALA 174.A O no hydrogen 3.183 N/A TYR 171.A N GLY 167.A O no hydrogen 3.003 N/A TYR 171.A N TRP 168.A O no hydrogen 3.323 N/A HIS 172.A N TRP 168.A O no hydrogen 2.880 N/A LYS 173.A N PHE 169.A O no hydrogen 2.956 N/A ALA 174.A N PHE 169.A O no hydrogen 2.733 N/A ALA 175.A N GLU 8.A O no hydrogen 2.940 N/A LYS 177.A N LEU 6.A O no hydrogen 2.951 N/A LYS 177.A NZ VAL 7.A O no hydrogen 2.881 N/A TRP 180.A N LYS 177.A O no hydrogen 3.013 N/A GLN 182.A N LEU 178.A O no hydrogen 3.130 N/A ASN 183.A N PHE 181.A O no hydrogen 2.709 N/A ASN 183.A ND2 TRP 180.A O no hydrogen 2.534 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.433 N/A MET 187.A N ASN 183.A O no hydrogen 3.068 N/A LEU 188.A N ALA 184.A O no hydrogen 2.891 N/A ASN 189.A N GLU 185.A O no hydrogen 2.913 N/A ASN 189.A ND2 TYR 302.A O no hydrogen 2.760 N/A HIS 190.A N SER 186.A O no hydrogen 2.924 N/A HIS 191.A N MET 187.A O no hydrogen 2.878 N/A LEU 192.A N LEU 188.A O no hydrogen 2.899 N/A SER 193.A N ASN 189.A O no hydrogen 2.910 N/A SER 193.A OG ASN 189.A O no hydrogen 2.949 N/A ILE 194.A N HIS 190.A O no hydrogen 3.325 N/A LEU 195.A N HIS 190.A O no hydrogen 3.345 N/A LEU 196.A N HIS 191.A O no hydrogen 3.072 N/A LEU 198.A N SER 193.A O no hydrogen 3.132 N/A GLY 199.A N ILE 194.A O no hydrogen 3.167 N/A CYS 200.A N LEU 196.A O no hydrogen 3.343 N/A CYS 200.A SG LEU 196.A O no hydrogen 3.425 N/A LEU 201.A N GLY 197.A O no hydrogen 2.925 N/A SER 202.A N LEU 198.A O no hydrogen 2.832 N/A SER 202.A OG LEU 198.A O no hydrogen 2.982 N/A SER 202.A OG GLY 199.A O no hydrogen 2.765 N/A TRP 203.A N GLY 199.A O no hydrogen 2.958 N/A ALA 204.A N CYS 200.A O no hydrogen 2.865 N/A GLY 205.A N LEU 201.A O no hydrogen 2.913 N/A HIS 206.A N SER 202.A O no hydrogen 2.907 N/A GLN 207.A N TRP 203.A O no hydrogen 2.898 N/A ILE 208.A N ALA 204.A O no hydrogen 2.887 N/A HIS 209.A N GLY 205.A O no hydrogen 2.937 N/A VAL 210.A N HIS 206.A O no hydrogen 2.579 N/A ALA 211.A N HIS 206.A O no hydrogen 3.274 N/A LEU 212.A N GLN 207.A O no hydrogen 2.739 N/A ILE 214.A N VAL 210.A O no hydrogen 3.351 N/A ASN 215.A N ALA 211.A O no hydrogen 2.894 N/A ASN 215.A ND2 ARG 139.A O no hydrogen 3.537 N/A ASN 215.A ND2 ALA 140.A O no hydrogen 3.149 N/A ASN 215.A ND2 ALA 211.A O no hydrogen 2.569 N/A LYS 216.A N LEU 212.A O no hydrogen 2.903 N/A LEU 217.A N PRO 213.A O no hydrogen 2.916 N/A LEU 218.A N ILE 214.A O no hydrogen 2.908 N/A ASP 219.A N ASN 215.A O no hydrogen 2.890 N/A ALA 220.A N LYS 216.A O no hydrogen 3.084 N/A GLY 221.A N LEU 218.A O no hydrogen 3.013 N/A VAL 222.A N LEU 217.A O no hydrogen 3.163 N/A GLU 226.A N ALA 223.A O no hydrogen 3.001 N/A ILE 227.A N PRO 224.A O no hydrogen 3.428 N/A GLU 232.A N LEU 229.A O no hydrogen 2.849 N/A PHE 233.A N PRO 230.A O no hydrogen 2.905 N/A LEU 234.A N HIS 231.A O no hydrogen 2.996 N/A LEU 239.A N ASN 236.A O no hydrogen 3.200 N/A ILE 240.A N ARG 237.A O no hydrogen 2.897 N/A ALA 241.A N ARG 237.A O no hydrogen 3.026 N/A GLN 242.A N ASP 238.A O no hydrogen 3.144 N/A LEU 243.A N ILE 240.A O no hydrogen 2.975 N/A TYR 244.A N ILE 240.A O no hydrogen 2.933 N/A SER 246.A N TYR 244.A O no hydrogen 2.539 N/A PHE 247.A N TYR 244.A O no hydrogen 3.386 N/A LYS 249.A N SER 246.A O no hydrogen 3.291 N/A LYS 249.A NZ PRO 245.A O no hydrogen 3.080 N/A PHE 255.A N LEU 251.A O no hydrogen 3.413 N/A SER 256.A N VAL 252.A O no hydrogen 2.910 N/A SER 256.A OG VAL 252.A O no hydrogen 2.979 N/A SER 256.A OG PRO 253.A O no hydrogen 2.992 N/A GLY 257.A N PHE 254.A O no hydrogen 3.417 N/A TRP 259.A N GLY 257.A O no hydrogen 2.798 N/A TRP 259.A NE1 PHE 254.A O no hydrogen 2.848 N/A GLU 261.A N ASN 258.A O no hydrogen 3.102 N/A TYR 262.A N TRP 259.A O no hydrogen 2.910 N/A TYR 262.A OH GLY 250.A O no hydrogen 2.668 N/A SER 263.A N SER 260.A O no hydrogen 3.078 N/A SER 263.A OG SER 260.A O no hydrogen 3.139 N/A PHE 265.A N TYR 262.A O no hydrogen 3.139 N/A LEU 266.A N TYR 262.A O no hydrogen 2.882 N/A THR 267.A OG1 THR 282.A OG1 no hydrogen 2.391 N/A THR 267.A OG1 ASP 283.A OD1 no hydrogen 2.904 N/A GLY 270.A N ASP 283.A OD2 no hydrogen 2.537 N/A GLY 271.A N THR 495.A O no hydrogen 3.123 N/A ASN 273.A N GLY 278.A O no hydrogen 2.580 N/A ASN 273.A ND2 ASP 219.A OD2 no hydrogen 3.179 N/A VAL 275.A N ASN 273.A OD1 no hydrogen 2.972 N/A GLY 277.A N ASN 273.A O no hydrogen 2.780 N/A LEU 279.A N PRO 365.A O no hydrogen 2.876 N/A THR 282.A OG1 THR 267.A OG1 no hydrogen 2.391 N/A THR 282.A OG1 ASP 283.A OD1 no hydrogen 3.443 N/A THR 284.A N TRP 280.A O no hydrogen 3.184 N/A THR 284.A OG1 LEU 281.A O no hydrogen 2.557 N/A ALA 285.A N LEU 281.A O no hydrogen 2.892 N/A HIS 286.A N THR 282.A O no hydrogen 2.952 N/A HIS 287.A N ASP 283.A O no hydrogen 2.873 N/A HIS 288.A N THR 284.A O no hydrogen 2.882 N/A HIS 288.A ND1 THR 284.A O no hydrogen 2.856 N/A LEU 289.A N ALA 285.A O no hydrogen 2.937 N/A ALA 290.A N HIS 286.A O no hydrogen 2.928 N/A LEU 291.A N HIS 287.A O no hydrogen 2.920 N/A ALA 292.A N HIS 288.A O no hydrogen 2.855 N/A VAL 293.A N LEU 289.A O no hydrogen 2.985 N/A LEU 294.A N ALA 290.A O no hydrogen 2.937 N/A PHE 295.A N LEU 291.A O no hydrogen 2.850 N/A ILE 296.A N ALA 292.A O no hydrogen 2.924 N/A PHE 297.A N VAL 293.A O no hydrogen 2.944 N/A ALA 298.A N LEU 294.A O no hydrogen 2.861 N/A GLY 299.A N PHE 295.A O no hydrogen 2.903 N/A GLY 299.A N ILE 296.A O no hydrogen 3.303 N/A HIS 300.A N PHE 297.A O no hydrogen 3.282 N/A HIS 300.A ND1 ILE 296.A O no hydrogen 2.558 N/A MET 301.A N ALA 298.A O no hydrogen 3.343 N/A TYR 302.A N ASN 189.A OD1 no hydrogen 3.363 N/A ARG 303.A N HIS 310.A O no hydrogen 2.984 N/A ASN 305.A ND2 VAL 3.A O no hydrogen 3.229 N/A HIS 310.A N MET 301.A O no hydrogen 2.678 N/A SER 311.A OG GLU 314.A OE1 no hydrogen 2.281 N/A MET 312.A N GLU 185.A OE2 no hydrogen 3.356 N/A LYS 313.A NZ GLU 317.A OE2 no hydrogen 2.828 N/A GLU 314.A N GLU 314.A OE1 no hydrogen 2.488 N/A MET 315.A N SER 311.A O no hydrogen 2.962 N/A LEU 316.A N MET 312.A O no hydrogen 2.897 N/A GLU 317.A N LYS 313.A O no hydrogen 2.940 N/A ALA 318.A N GLU 314.A O no hydrogen 2.911 N/A HIS 319.A N LEU 316.A O no hydrogen 3.218 N/A HIS 319.A ND1 MET 315.A O no hydrogen 2.659 N/A LYS 320.A NZ GLU 326.A O no hydrogen 3.339 N/A THR 324.A N GLY 321.A O no hydrogen 3.326 N/A GLU 326.A N ASN 414.A O no hydrogen 3.115 N/A GLY 327.A N THR 324.A O no hydrogen 2.987 N/A HIS 328.A N HIS 319.A O no hydrogen 3.231 N/A HIS 328.A ND1 HIS 319.A O no hydrogen 3.215 N/A ALA 329.A N GLY 327.A O no hydrogen 2.708 N/A TYR 332.A OH GLU 185.A OE1 no hydrogen 3.025 N/A TYR 332.A OH GLU 185.A OE2 no hydrogen 3.403 N/A GLU 333.A N GLU 333.A OE1 no hydrogen 2.664 N/A ILE 334.A N GLY 330.A O no hydrogen 3.280 N/A LEU 335.A N LEU 331.A O no hydrogen 2.905 N/A THR 336.A N TYR 332.A O no hydrogen 2.924 N/A THR 336.A N GLU 333.A O no hydrogen 3.339 N/A THR 336.A OG1 TYR 332.A O no hydrogen 2.610 N/A THR 336.A OG1 GLU 333.A O no hydrogen 3.557 N/A THR 337.A N ILE 334.A O no hydrogen 3.496 N/A THR 337.A OG1 GLU 333.A O no hydrogen 2.213 N/A SER 338.A OG ILE 334.A O no hydrogen 2.547 N/A TRP 339.A NE1 SER 60.A OG no hydrogen 3.094 N/A LEU 343.A N TRP 339.A O no hydrogen 2.875 N/A ALA 344.A N HIS 340.A O no hydrogen 2.859 N/A ILE 345.A N ALA 341.A O no hydrogen 3.053 N/A ASN 346.A N GLN 342.A O no hydrogen 2.885 N/A LEU 347.A N LEU 343.A O no hydrogen 2.831 N/A ALA 348.A N ALA 344.A O no hydrogen 2.983 N/A MET 349.A N ILE 345.A O no hydrogen 2.952 N/A ILE 350.A N ASN 346.A O no hydrogen 2.844 N/A GLY 351.A N LEU 347.A O no hydrogen 2.895 N/A SER 352.A N ALA 348.A O no hydrogen 2.986 N/A SER 352.A OG ALA 348.A O no hydrogen 3.113 N/A LEU 353.A N MET 349.A O no hydrogen 2.850 N/A SER 354.A N ILE 350.A O no hydrogen 2.838 N/A SER 354.A OG HIS 384.A O no hydrogen 2.580 N/A ILE 355.A N GLY 351.A O no hydrogen 3.005 N/A ILE 356.A N SER 352.A O no hydrogen 2.918 N/A VAL 357.A N LEU 353.A O no hydrogen 2.848 N/A ALA 358.A N SER 354.A O no hydrogen 2.918 N/A HIS 359.A N ILE 355.A O no hydrogen 2.942 N/A HIS 360.A N ILE 356.A O no hydrogen 2.888 N/A MET 361.A N VAL 357.A O no hydrogen 2.907 N/A MET 364.A N HIS 360.A O no hydrogen 3.127 N/A TYR 369.A N THR 276.A O no hydrogen 2.828 N/A ASP 373.A N ILE 370.A O no hydrogen 3.252 N/A TYR 374.A OH ILE 511.A O no hydrogen 3.031 N/A TYR 374.A OH GLY 610.A O no hydrogen 3.012 N/A THR 376.A OG1 ASP 373.A OD2 no hydrogen 2.847 N/A GLN 377.A N ASP 373.A O no hydrogen 3.149 N/A LEU 378.A N TYR 374.A O no hydrogen 3.089 N/A SER 379.A N ALA 375.A O no hydrogen 3.138 N/A SER 379.A OG THR 131.A OG1 no hydrogen 3.141 N/A SER 379.A OG ALA 375.A O no hydrogen 2.765 N/A LEU 380.A N THR 376.A O no hydrogen 2.847 N/A PHE 381.A N GLN 377.A O no hydrogen 2.956 N/A THR 382.A N LEU 378.A O no hydrogen 2.969 N/A THR 382.A OG1 LEU 378.A O no hydrogen 3.111 N/A THR 382.A OG1 SER 379.A O no hydrogen 3.049 N/A HIS 383.A N SER 379.A O no hydrogen 2.878 N/A HIS 384.A N LEU 380.A O no hydrogen 2.976 N/A HIS 384.A ND1 LEU 380.A O no hydrogen 3.021 N/A VAL 385.A N PHE 381.A O no hydrogen 2.936 N/A TRP 386.A N THR 382.A O no hydrogen 2.945 N/A ILE 387.A N HIS 383.A O no hydrogen 2.949 N/A GLY 388.A N HIS 384.A O no hydrogen 2.897 N/A GLY 389.A N VAL 385.A O no hydrogen 2.971 N/A PHE 390.A N TRP 386.A O no hydrogen 2.964 N/A CYS 391.A N ILE 387.A O no hydrogen 2.926 N/A CYS 391.A SG ILE 387.A O no hydrogen 3.123 N/A ILE 392.A N GLY 388.A O no hydrogen 2.923 N/A VAL 393.A N GLY 389.A O no hydrogen 3.007 N/A GLY 394.A N PHE 390.A O no hydrogen 2.905 N/A GLY 395.A N CYS 391.A O no hydrogen 2.887 N/A ALA 396.A N ILE 392.A O no hydrogen 3.004 N/A ALA 397.A N VAL 393.A O no hydrogen 2.920 N/A HIS 398.A N GLY 394.A O no hydrogen 2.921 N/A GLY 399.A N GLY 395.A O no hydrogen 2.910 N/A ALA 400.A N ALA 396.A O no hydrogen 2.975 N/A ILE 401.A N ALA 397.A O no hydrogen 2.904 N/A PHE 402.A N HIS 398.A O no hydrogen 2.892 N/A MET 403.A N GLY 399.A O no hydrogen 2.939 N/A VAL 404.A N ALA 400.A O no hydrogen 2.939 N/A ARG 405.A N ILE 401.A O no hydrogen 2.904 N/A ARG 405.A NH1 ASP 48.A OD1 no hydrogen 3.007 N/A ARG 405.A NH2 ASP 48.A OD2 no hydrogen 3.234 N/A ASP 406.A N PHE 402.A O no hydrogen 2.823 N/A LYS 411.A N ASN 408.A O no hydrogen 3.246 N/A ASN 412.A N PRO 409.A O no hydrogen 3.152 N/A ASN 412.A ND2 ASN 408.A O no hydrogen 2.762 N/A ASN 414.A N ASP 418.A OD2 no hydrogen 2.691 N/A ASN 415.A ND2 ALA 329.A O no hydrogen 3.264 N/A ASN 415.A ND2 ASN 412.A OD1 no hydrogen 3.079 N/A ASP 418.A N ASN 415.A OD1 no hydrogen 3.062 N/A ARG 419.A N ASN 415.A O no hydrogen 2.984 N/A ARG 419.A NE ASN 414.A OD1 no hydrogen 3.166 N/A VAL 420.A N LEU 416.A O no hydrogen 2.882 N/A ILE 421.A N LEU 417.A O no hydrogen 2.931 N/A ARG 422.A N ASP 418.A O no hydrogen 2.908 N/A ARG 422.A N ARG 419.A O no hydrogen 2.953 N/A ARG 422.A NE ASP 418.A OD1 no hydrogen 3.200 N/A HIS 423.A N ARG 419.A O no hydrogen 2.968 N/A HIS 423.A N VAL 420.A O no hydrogen 3.330 N/A HIS 423.A ND1 ARG 419.A O no hydrogen 2.973 N/A ARG 424.A NH1 LEU 545.A O no hydrogen 3.323 N/A ILE 427.A N HIS 423.A O no hydrogen 3.131 N/A ILE 428.A N ARG 424.A O no hydrogen 2.891 N/A SER 429.A N ASP 425.A O no hydrogen 2.896 N/A SER 429.A OG ASP 425.A O no hydrogen 2.913 N/A SER 429.A OG SER 426.A O no hydrogen 2.698 N/A SER 429.A OG HIS 430.A ND1 no hydrogen 3.327 N/A HIS 430.A N SER 426.A O no hydrogen 2.956 N/A HIS 430.A ND1 SER 426.A O no hydrogen 2.693 N/A LEU 431.A N ILE 427.A O no hydrogen 2.910 N/A ASN 432.A N ILE 428.A O no hydrogen 2.836 N/A TRP 433.A N SER 429.A O no hydrogen 2.927 N/A VAL 434.A N HIS 430.A O no hydrogen 2.909 N/A SER 435.A N LEU 431.A O no hydrogen 2.888 N/A SER 435.A OG LEU 431.A O no hydrogen 2.840 N/A ILE 436.A N ASN 432.A O no hydrogen 2.931 N/A PHE 437.A N TRP 433.A O no hydrogen 2.863 N/A LEU 438.A N VAL 434.A O no hydrogen 2.887 N/A GLY 439.A N SER 435.A O no hydrogen 2.888 N/A PHE 440.A N ILE 436.A O no hydrogen 2.855 N/A HIS 441.A N PHE 437.A O no hydrogen 2.957 N/A SER 442.A N LEU 438.A O no hydrogen 2.873 N/A SER 442.A OG LEU 438.A O no hydrogen 2.405 N/A SER 442.A OG GLY 439.A O no hydrogen 3.405 N/A PHE 443.A N GLY 439.A O no hydrogen 2.909 N/A GLY 444.A N PHE 440.A O no hydrogen 2.819 N/A LEU 445.A N HIS 441.A O no hydrogen 2.945 N/A ILE 447.A N PHE 443.A O no hydrogen 2.956 N/A HIS 448.A N GLY 444.A O no hydrogen 2.788 N/A HIS 448.A NE2 ASP 460.A O no hydrogen 2.803 N/A ASN 449.A N LEU 445.A O no hydrogen 2.921 N/A ASN 449.A ND2 PHE 462.A O no hydrogen 3.330 N/A ASN 449.A ND2 ILE 631.A O no hydrogen 2.895 N/A ASP 450.A N TYR 446.A O no hydrogen 2.905 N/A THR 451.A N ILE 447.A O no hydrogen 2.875 N/A THR 451.A OG1 ILE 447.A O no hydrogen 2.804 N/A MET 452.A N HIS 448.A O no hydrogen 2.903 N/A ARG 453.A N ASN 449.A O no hydrogen 2.900 N/A ARG 453.A NH1 GLN 628.A O no hydrogen 3.087 N/A ARG 453.A NH2 GLN 628.A O no hydrogen 2.892 N/A ALA 454.A N ASP 450.A O no hydrogen 2.907 N/A LEU 455.A N THR 451.A O no hydrogen 2.955 N/A GLY 456.A N ARG 453.A O no hydrogen 3.412 N/A ARG 457.A N MET 452.A O no hydrogen 2.855 N/A ARG 457.A NE ASP 460.A OD2 no hydrogen 3.238 N/A ARG 457.A NH2 ASP 460.A OD2 no hydrogen 3.380 N/A GLN 459.A N GLN 459.A OE1 no hydrogen 2.759 N/A ASP 460.A N ARG 457.A O no hydrogen 3.116 N/A PHE 462.A N ASN 449.A OD1 no hydrogen 2.499 N/A ALA 466.A N SER 463.A O no hydrogen 3.009 N/A GLN 470.A NE2 GLN 468.A OE1 no hydrogen 2.773 N/A GLN 475.A N PRO 471.A O no hydrogen 3.007 N/A GLN 475.A NE2 GLN 470.A OE1 no hydrogen 3.156 N/A GLN 475.A NE2 LEU 518.A O no hydrogen 2.940 N/A TRP 476.A N ILE 472.A O no hydrogen 2.882 N/A ILE 477.A N PHE 473.A O no hydrogen 2.943 N/A GLN 478.A N ALA 474.A O no hydrogen 2.889 N/A GLN 478.A NE2 ILE 516.A O no hydrogen 3.167 N/A ASN 479.A N GLN 475.A O no hydrogen 2.903 N/A LEU 480.A N TRP 476.A O no hydrogen 2.947 N/A HIS 481.A N ILE 477.A O no hydrogen 2.932 N/A LEU 482.A N GLN 478.A O no hydrogen 2.887 N/A LEU 483.A N ASN 479.A O no hydrogen 2.937 N/A ALA 484.A N HIS 481.A O no hydrogen 3.330 N/A GLY 486.A N ALA 489.A O no hydrogen 3.284 N/A ASN 487.A N ALA 484.A O no hydrogen 3.030 N/A THR 488.A N ALA 484.A O no hydrogen 3.105 N/A THR 488.A OG1 ALA 484.A O no hydrogen 3.529 N/A ALA 489.A N ALA 484.A O no hydrogen 3.049 N/A ALA 492.A N ALA 489.A O no hydrogen 2.924 N/A THR 494.A N LYS 269.A O no hydrogen 2.969 N/A THR 495.A OG1 HIS 481.A O no hydrogen 3.545 N/A THR 495.A OG1 SER 497.A O no hydrogen 3.212 N/A SER 497.A OG ALA 363.A O no hydrogen 2.687 N/A VAL 499.A N SER 497.A OG no hydrogen 3.363 N/A VAL 505.A N ILE 513.A O no hydrogen 2.904 N/A VAL 507.A N LYS 510.A O no hydrogen 2.736 N/A SER 509.A OG GLY 508.A O no hydrogen 2.209 N/A LYS 510.A N VAL 507.A O no hydrogen 3.119 N/A ILE 511.A N GLY 610.A O no hydrogen 3.469 N/A ILE 513.A N VAL 505.A O no hydrogen 2.934 N/A ILE 516.A N VAL 499.A O no hydrogen 2.881 N/A GLY 519.A N ASP 522.A OD1 no hydrogen 3.072 N/A THR 520.A OG1 PHE 462.A O no hydrogen 3.562 N/A PHE 523.A N GLY 519.A O no hydrogen 3.078 N/A MET 524.A N THR 520.A O no hydrogen 2.926 N/A VAL 525.A N ALA 521.A O no hydrogen 2.927 N/A HIS 526.A N ASP 522.A O no hydrogen 2.880 N/A HIS 526.A ND1 ASP 522.A O no hydrogen 2.725 N/A HIS 527.A N PHE 523.A O no hydrogen 2.996 N/A HIS 527.A ND1 PHE 523.A O no hydrogen 3.102 N/A ILE 528.A N MET 524.A O no hydrogen 2.914 N/A HIS 529.A N VAL 525.A O no hydrogen 2.896 N/A HIS 529.A NE2 HIS 599.A ND1 no hydrogen 2.945 N/A ALA 530.A N HIS 526.A O no hydrogen 2.937 N/A PHE 531.A N HIS 527.A O no hydrogen 2.892 N/A THR 532.A N ILE 528.A O no hydrogen 2.961 N/A THR 532.A OG1 ILE 528.A O no hydrogen 3.334 N/A THR 532.A OG1 HIS 529.A O no hydrogen 2.775 N/A ILE 533.A N HIS 529.A O no hydrogen 2.932 N/A HIS 534.A N ALA 530.A O no hydrogen 2.888 N/A HIS 534.A ND1 ALA 530.A O no hydrogen 2.974 N/A VAL 535.A N PHE 531.A O no hydrogen 2.951 N/A THR 536.A N THR 532.A O no hydrogen 2.957 N/A THR 536.A OG1 THR 532.A O no hydrogen 2.895 N/A ALA 537.A N ILE 533.A O no hydrogen 2.904 N/A LEU 538.A N HIS 534.A O no hydrogen 2.845 N/A ILE 539.A N VAL 535.A O no hydrogen 2.962 N/A LEU 540.A N THR 536.A O no hydrogen 2.984 N/A LEU 541.A N ALA 537.A O no hydrogen 2.831 N/A LYS 542.A N LEU 538.A O no hydrogen 2.889 N/A LYS 542.A NZ HIS 581.A NE2 no hydrogen 3.169 N/A GLY 543.A N ILE 539.A O no hydrogen 2.949 N/A VAL 544.A N LEU 540.A O no hydrogen 2.934 N/A LEU 545.A N LEU 541.A O no hydrogen 2.889 N/A TYR 546.A N LYS 542.A O no hydrogen 3.086 N/A ALA 547.A N VAL 544.A O no hydrogen 3.389 N/A ARG 548.A NH1 MET 403.A O no hydrogen 3.374 N/A SER 550.A N ILE 553.A O no hydrogen 2.945 N/A LYS 556.A NZ TYR 546.A O no hydrogen 2.619 N/A LYS 556.A NZ VAL 576.A O no hydrogen 3.132 N/A ALA 557.A N ARG 548.A O no hydrogen 2.660 N/A LEU 559.A N LYS 556.A O no hydrogen 2.919 N/A GLY 560.A N ALA 557.A O no hydrogen 3.051 N/A ARG 562.A NH2 ASP 45.A OD1 no hydrogen 3.292 N/A ARG 570.A NH2 ASP 566.A OD2 no hydrogen 2.566 N/A THR 573.A OG1 GLY 567.A O no hydrogen 3.115 N/A THR 573.A OG1 GLY 569.A O no hydrogen 2.959 N/A GLN 575.A N PRO 564.A O no hydrogen 3.374 N/A SER 577.A N ASP 580.A OD2 no hydrogen 3.136 N/A SER 577.A OG PHE 563.A O no hydrogen 3.173 N/A SER 577.A OG ASP 580.A OD2 no hydrogen 2.393 N/A HIS 581.A N SER 577.A O no hydrogen 3.277 N/A HIS 581.A ND1 SER 577.A O no hydrogen 2.597 N/A VAL 582.A N ALA 578.A O no hydrogen 2.939 N/A PHE 583.A N TRP 579.A O no hydrogen 2.864 N/A LEU 584.A N ASP 580.A O no hydrogen 2.950 N/A GLY 585.A N HIS 581.A O no hydrogen 2.853 N/A LEU 586.A N VAL 582.A O no hydrogen 2.897 N/A TRP 588.A N LEU 584.A O no hydrogen 3.043 N/A MET 589.A N GLY 585.A O no hydrogen 2.824 N/A TYR 590.A N LEU 586.A O no hydrogen 2.908 N/A ASN 591.A N PHE 587.A O no hydrogen 2.933 N/A SER 592.A N TRP 588.A O no hydrogen 2.918 N/A SER 592.A OG MET 589.A O no hydrogen 2.869 N/A LEU 593.A N MET 589.A O no hydrogen 2.909 N/A SER 594.A N TYR 590.A O no hydrogen 2.886 N/A SER 594.A OG TYR 590.A O no hydrogen 2.687 N/A ILE 595.A N ASN 591.A O no hydrogen 3.009 N/A VAL 596.A N SER 592.A O no hydrogen 2.913 N/A LEU 597.A N LEU 593.A O no hydrogen 2.871 N/A PHE 598.A N SER 594.A O no hydrogen 2.941 N/A HIS 599.A N ILE 595.A O no hydrogen 2.895 N/A HIS 599.A ND1 HIS 529.A NE2 no hydrogen 2.945 N/A PHE 600.A N VAL 596.A O no hydrogen 2.921 N/A SER 601.A N LEU 597.A O no hydrogen 2.876 N/A TRP 602.A N PHE 598.A O no hydrogen 2.942 N/A TRP 602.A NE1 ASN 625.A OD1 no hydrogen 3.139 N/A LYS 603.A N HIS 599.A O no hydrogen 2.906 N/A LYS 603.A NZ LYS 517.A O no hydrogen 3.015 N/A LYS 603.A NZ ASP 522.A OD1 no hydrogen 3.108 N/A LYS 603.A NZ ASP 522.A OD2 no hydrogen 3.343 N/A LYS 603.A NZ ASP 607.A OD2 no hydrogen 3.120 N/A MET 604.A N PHE 600.A O no hydrogen 2.902 N/A GLN 605.A N SER 601.A O no hydrogen 2.936 N/A GLN 605.A NE2 GLN 644.A OE1 no hydrogen 3.616 N/A SER 606.A N TRP 602.A O no hydrogen 2.902 N/A SER 606.A OG ASN 625.A OD1 no hydrogen 3.166 N/A VAL 608.A N MET 604.A O no hydrogen 3.103 N/A TRP 609.A N MET 604.A O no hydrogen 2.686 N/A GLY 610.A N TYR 374.A OH no hydrogen 3.344 N/A SER 611.A N SER 619.A O no hydrogen 2.879 N/A VAL 612.A N SER 509.A O no hydrogen 2.952 N/A THR 613.A N ALA 617.A O no hydrogen 3.186 N/A THR 613.A OG1 THR 615.A OG1 no hydrogen 2.824 N/A THR 615.A OG1 THR 613.A OG1 no hydrogen 2.824 N/A ALA 617.A N THR 613.A OG1 no hydrogen 3.098 N/A SER 619.A N SER 611.A O no hydrogen 2.939 N/A SER 619.A OG SER 611.A O no hydrogen 3.408 N/A ILE 621.A N GLN 605.A O no hydrogen 3.115 N/A ILE 621.A N TRP 609.A O no hydrogen 3.387 N/A THR 622.A OG1 ASN 625.A OD1 no hydrogen 3.017 N/A PHE 626.A N SER 606.A OG no hydrogen 3.177 N/A SER 629.A OG ASP 639.A OD2 no hydrogen 2.477 N/A ALA 630.A N PHE 626.A O no hydrogen 2.965 N/A GLY 635.A N THR 632.A OG1 no hydrogen 3.025 N/A TRP 636.A N THR 632.A O no hydrogen 3.147 N/A TRP 636.A NE1 ALA 630.A O no hydrogen 2.979 N/A LEU 637.A N ILE 633.A O no hydrogen 2.916 N/A ARG 638.A N ASN 634.A O no hydrogen 2.886 N/A ARG 638.A NE ASP 639.A OD1 no hydrogen 3.186 N/A ASP 639.A N GLY 635.A O no hydrogen 2.889 N/A PHE 640.A N TRP 636.A O no hydrogen 3.323 N/A LEU 641.A N TRP 636.A O no hydrogen 3.185 N/A TRP 642.A N LEU 637.A O no hydrogen 2.999 N/A SER 643.A N ARG 638.A O no hydrogen 2.902 N/A GLN 644.A N PHE 640.A O no hydrogen 3.166 N/A ALA 645.A N LEU 641.A O no hydrogen 2.975 N/A SER 646.A OG SER 643.A O no hydrogen 2.974 N/A ILE 649.A N ALA 645.A O no hydrogen 3.297 N/A GLN 650.A N SER 646.A O no hydrogen 2.959 N/A SER 651.A N VAL 648.A O no hydrogen 3.188 N/A SER 651.A OG VAL 648.A O no hydrogen 2.619 N/A SER 651.A OG LEU 656.A O no hydrogen 3.387 N/A SER 654.A N SER 651.A O no hydrogen 3.256 N/A SER 654.A OG SER 651.A O no hydrogen 2.668 N/A SER 657.A N SER 654.A O no hydrogen 3.099 N/A SER 657.A OG SER 654.A O no hydrogen 2.998 N/A TYR 659.A N LEU 656.A O no hydrogen 2.804 N/A LEU 661.A N SER 657.A O no hydrogen 2.944 N/A ILE 662.A N ALA 658.A O no hydrogen 2.892 N/A PHE 663.A N TYR 659.A O no hydrogen 2.830 N/A LEU 664.A N GLY 660.A O no hydrogen 2.996 N/A GLY 665.A N LEU 661.A O no hydrogen 2.885 N/A ALA 666.A N ILE 662.A O no hydrogen 2.813 N/A HIS 667.A N PHE 663.A O no hydrogen 3.001 N/A HIS 667.A ND1 PHE 663.A O no hydrogen 3.027 N/A PHE 668.A N LEU 664.A O no hydrogen 2.890 N/A ILE 669.A N GLY 665.A O no hydrogen 2.897 N/A TRP 670.A N ALA 666.A O no hydrogen 2.904 N/A ALA 671.A N HIS 667.A O no hydrogen 2.964 N/A PHE 672.A N PHE 668.A O no hydrogen 2.851 N/A SER 673.A N ILE 669.A O no hydrogen 2.939 N/A SER 673.A OG TRP 670.A O no hydrogen 2.424 N/A LEU 674.A N ALA 671.A O no hydrogen 3.157 N/A MET 675.A N PHE 672.A O no hydrogen 3.021 N/A LEU 677.A N SER 673.A O no hydrogen 2.966 N/A PHE 678.A N LEU 674.A O no hydrogen 2.909 N/A SER 679.A N MET 675.A O no hydrogen 3.397 N/A SER 679.A OG MET 675.A O no hydrogen 2.269 N/A ARG 681.A NE ALA 708.A O no hydrogen 3.374 N/A TRP 684.A NE1 SER 679.A OG no hydrogen 2.988 N/A GLN 685.A N ARG 681.A O no hydrogen 2.894 N/A GLN 685.A NE2 GLN 685.A O no hydrogen 3.223 N/A GLU 686.A N GLY 682.A O no hydrogen 2.970 N/A LEU 687.A N TYR 683.A O no hydrogen 2.925 N/A ILE 688.A N TRP 684.A O no hydrogen 2.867 N/A GLU 689.A N GLN 685.A O no hydrogen 2.883 N/A SER 690.A N GLU 686.A O no hydrogen 3.004 N/A SER 690.A OG GLU 686.A O no hydrogen 3.545 N/A ILE 691.A N LEU 687.A O no hydrogen 2.959 N/A VAL 692.A N ILE 688.A O no hydrogen 2.803 N/A TRP 693.A N GLU 689.A O no hydrogen 2.928 N/A ALA 694.A N SER 690.A O no hydrogen 2.990 N/A HIS 695.A N ILE 691.A O no hydrogen 2.921 N/A HIS 695.A ND1 ILE 691.A O no hydrogen 2.932 N/A ASN 696.A N VAL 692.A O no hydrogen 2.848 N/A LYS 697.A N TRP 693.A O no hydrogen 2.933 N/A ILE 698.A N HIS 695.A O no hydrogen 3.017 N/A LYS 699.A N ASN 696.A O no hydrogen 2.850 N/A VAL 700.A N HIS 695.A O no hydrogen 3.140 N/A GLN 705.A N LYS 34.A O no hydrogen 3.314 N/A ARG 707.A N THR 36.A OG1 no hydrogen 2.917 N/A ARG 707.A NH1 PRO 706.A O no hydrogen 3.216 N/A ALA 708.A N GLN 685.A OE1 no hydrogen 3.337 N/A GLN 713.A N SER 710.A OG no hydrogen 3.151 N/A GLY 714.A N SER 710.A O no hydrogen 2.627 N/A ARG 715.A N ILE 711.A O no hydrogen 2.965 N/A ARG 715.A NH1 PRO 564.A O no hydrogen 3.032 N/A ARG 715.A NH1 ASP 580.A OD1 no hydrogen 3.020 N/A ARG 715.A NH2 PRO 564.A O no hydrogen 3.486 N/A ALA 716.A N THR 712.A O no hydrogen 2.894 N/A VAL 717.A N GLN 713.A O no hydrogen 2.848 N/A GLY 718.A N GLY 714.A O no hydrogen 2.948 N/A LEU 719.A N ARG 715.A O no hydrogen 2.904 N/A ALA 720.A N ALA 716.A O no hydrogen 2.869 N/A HIS 721.A N VAL 717.A O no hydrogen 2.938 N/A HIS 721.A ND1 VAL 717.A O no hydrogen 2.900 N/A TYR 722.A N GLY 718.A O no hydrogen 2.891 N/A LEU 723.A N LEU 719.A O no hydrogen 2.901 N/A LEU 724.A N ALA 720.A O no hydrogen 2.897 N/A GLY 725.A N HIS 721.A O no hydrogen 2.872 N/A GLY 726.A N TYR 722.A O no hydrogen 2.960 N/A ILE 727.A N LEU 723.A O no hydrogen 2.878 N/A GLY 728.A N LEU 724.A O no hydrogen 2.870 N/A THR 729.A N GLY 725.A O no hydrogen 2.900 N/A THR 729.A OG1 GLY 725.A O no hydrogen 2.678 N/A THR 730.A N GLY 726.A O no hydrogen 3.016 N/A TRP 731.A N ILE 727.A O no hydrogen 2.817 N/A ALA 732.A N GLY 728.A O no hydrogen 2.912 N/A PHE 733.A N THR 729.A O no hydrogen 2.910 N/A PHE 734.A N THR 730.A O no hydrogen 2.866 N/A LEU 735.A N TRP 731.A O no hydrogen 2.941 N/A ALA 736.A N ALA 732.A O no hydrogen 2.905 N/A ARG 737.A N PHE 733.A O no hydrogen 2.899 N/A ARG 737.A NE GLN 605.A OE1 no hydrogen 3.088 N/A ARG 737.A NH1 GLN 647.A OE1 no hydrogen 3.112 N/A ARG 737.A NH2 GLN 605.A OE1 no hydrogen 3.170 N/A ILE 738.A N PHE 734.A O no hydrogen 2.884 N/A SER 740.A OG ALA 736.A O no hydrogen 3.045 N/A