Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9au4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.494 N/A SER 1.A OG GLU 174.A OE1 no hydrogen 3.289 N/A SER 1.A OG GLU 174.A OE2 no hydrogen 2.485 N/A ASP 3.A N ALA 170.A O no hydrogen 2.707 N/A ASN 5.A N VAL 168.A O no hydrogen 2.542 N/A GLU 12.A N SER 10.A OG no hydrogen 3.326 N/A GLY 15.A N GLU 12.A O no hydrogen 3.269 N/A ARG 22.A NH1 GLN 47.A O no hydrogen 3.221 N/A ALA 25.A N ASP 21.A O no hydrogen 3.179 N/A GLY 27.A N LEU 24.A O no hydrogen 3.409 N/A THR 31.A N GLN 700.A O no hydrogen 2.918 N/A THR 31.A OG1 GLN 700.A O no hydrogen 3.508 N/A TRP 33.A NE1 LEU 24.A O no hydrogen 2.707 N/A ILE 34.A N THR 31.A O no hydrogen 2.988 N/A TRP 35.A N THR 31.A O no hydrogen 3.376 N/A ASN 36.A N THR 32.A O no hydrogen 2.447 N/A LEU 37.A N TRP 33.A O no hydrogen 2.884 N/A LEU 37.A N ILE 34.A O no hydrogen 3.001 N/A ASN 40.A N LEU 37.A O no hydrogen 3.009 N/A SER 46.A N ASP 43.A O no hydrogen 3.224 N/A SER 46.A OG ASP 43.A O no hydrogen 2.884 N/A GLN 47.A N ASP 43.A O no hydrogen 3.431 N/A GLN 47.A NE2 ASN 40.A O no hydrogen 3.084 N/A GLN 47.A NE2 ALA 41.A O no hydrogen 2.951 N/A THR 48.A N PHE 44.A O no hydrogen 3.455 N/A THR 48.A OG1 ASP 50.A OD1 no hydrogen 3.124 N/A ASP 50.A N ASP 50.A OD1 no hydrogen 2.483 N/A VAL 54.A N ASP 50.A O no hydrogen 3.489 N/A SER 55.A N LEU 51.A O no hydrogen 2.968 N/A SER 55.A OG LEU 51.A O no hydrogen 2.830 N/A ARG 56.A N GLU 52.A O no hydrogen 2.974 N/A LYS 57.A N ASP 53.A O no hydrogen 2.951 N/A LYS 57.A NZ TYR 166.A OH no hydrogen 3.008 N/A ILE 58.A N VAL 54.A O no hydrogen 2.925 N/A PHE 59.A N SER 55.A O no hydrogen 2.928 N/A SER 60.A N ARG 56.A O no hydrogen 3.030 N/A SER 60.A OG GLY 162.A O no hydrogen 2.659 N/A ALA 61.A N LYS 57.A O no hydrogen 2.886 N/A HIS 62.A N ILE 58.A O no hydrogen 2.834 N/A PHE 63.A N PHE 59.A O no hydrogen 3.066 N/A GLY 64.A N SER 60.A O no hydrogen 2.972 N/A HIS 65.A N ALA 61.A O no hydrogen 2.865 N/A LEU 66.A N HIS 62.A O no hydrogen 2.945 N/A ALA 67.A N PHE 63.A O no hydrogen 2.943 N/A VAL 68.A N GLY 64.A O no hydrogen 2.977 N/A VAL 69.A N HIS 65.A O no hydrogen 2.967 N/A PHE 70.A N LEU 66.A O no hydrogen 2.913 N/A VAL 71.A N ALA 67.A O no hydrogen 2.922 N/A TRP 72.A N VAL 68.A O no hydrogen 2.990 N/A LEU 73.A N VAL 69.A O no hydrogen 2.941 N/A SER 74.A N PHE 70.A O no hydrogen 2.879 N/A SER 74.A OG ALA 148.A O no hydrogen 2.884 N/A GLY 75.A N VAL 71.A O no hydrogen 2.929 N/A MET 76.A N TRP 72.A O no hydrogen 2.961 N/A TYR 77.A N LEU 73.A O no hydrogen 2.994 N/A PHE 78.A N SER 74.A O no hydrogen 2.920 N/A HIS 79.A N GLY 75.A O no hydrogen 2.890 N/A GLY 80.A N MET 76.A O no hydrogen 2.887 N/A ALA 81.A N TYR 77.A O no hydrogen 2.951 N/A ALA 81.A N PHE 78.A O no hydrogen 3.248 N/A LYS 82.A N PHE 78.A O no hydrogen 2.925 N/A SER 84.A OG GLY 80.A O no hydrogen 3.324 N/A SER 84.A OG SER 99.A O no hydrogen 3.363 N/A ASN 85.A N SER 99.A O no hydrogen 3.164 N/A TYR 86.A N SER 84.A OG no hydrogen 2.960 N/A TYR 86.A OH PHE 138.A O no hydrogen 2.907 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.481 N/A TRP 89.A N ASN 85.A O no hydrogen 3.181 N/A LEU 90.A N TYR 86.A O no hydrogen 3.183 N/A LYS 97.A N VAL 116.A O no hydrogen 3.200 N/A LYS 97.A NZ ASP 115.A O no hydrogen 3.528 N/A SER 99.A N ASN 85.A OD1 no hydrogen 3.107 N/A SER 99.A OG ILE 123.A O no hydrogen 3.029 N/A VAL 103.A N ASN 113.A OD1 no hydrogen 3.111 N/A GLN 109.A N ILE 106.A O no hydrogen 2.650 N/A GLN 109.A NE2 TRP 104.A O no hydrogen 3.461 N/A LEU 112.A N GLN 109.A O no hydrogen 2.967 N/A ASN 113.A N GLY 110.A O no hydrogen 3.171 N/A ASN 113.A ND2 VAL 103.A O no hydrogen 2.376 N/A VAL 116.A N PHE 120.A O no hydrogen 3.474 N/A GLY 122.A N GLY 114.A O no hydrogen 3.125 N/A ILE 123.A N GLN 101.A O no hydrogen 3.070 N/A ILE 125.A N PRO 98.A O no hydrogen 3.006 N/A THR 126.A OG1 SER 374.A OG no hydrogen 2.805 N/A TYR 131.A OH ASP 368.A OD2 no hydrogen 2.763 N/A LEU 132.A N GLY 128.A O no hydrogen 3.317 N/A TRP 133.A N LEU 129.A O no hydrogen 2.920 N/A ARG 134.A N PHE 130.A O no hydrogen 2.861 N/A ALA 135.A N TYR 131.A O no hydrogen 2.922 N/A SER 136.A N LEU 132.A O no hydrogen 2.875 N/A SER 136.A OG TRP 133.A O no hydrogen 2.942 N/A GLY 137.A N ARG 134.A O no hydrogen 3.204 N/A PHE 138.A N TRP 133.A O no hydrogen 2.865 N/A THR 139.A OG1 THR 139.A O no hydrogen 2.604 N/A SER 141.A N ASP 140.A OD1 no hydrogen 2.698 N/A SER 141.A OG ALA 81.A O no hydrogen 3.398 N/A TYR 145.A N SER 141.A O no hydrogen 2.926 N/A CYS 146.A N TYR 142.A O no hydrogen 2.873 N/A CYS 146.A SG TYR 142.A O no hydrogen 3.604 N/A THR 147.A N GLN 143.A O no hydrogen 2.909 N/A THR 147.A OG1 GLN 143.A O no hydrogen 2.943 N/A ALA 148.A N LEU 144.A O no hydrogen 2.929 N/A ILE 149.A N TYR 145.A O no hydrogen 2.931 N/A GLY 150.A N CYS 146.A O no hydrogen 2.890 N/A GLY 151.A N THR 147.A O no hydrogen 2.861 N/A LEU 152.A N ALA 148.A O no hydrogen 2.981 N/A VAL 153.A N ILE 149.A O no hydrogen 2.947 N/A MET 154.A N GLY 150.A O no hydrogen 2.869 N/A ALA 155.A N GLY 151.A O no hydrogen 2.880 N/A ALA 156.A N LEU 152.A O no hydrogen 2.969 N/A LEU 157.A N VAL 153.A O no hydrogen 2.878 N/A MET 158.A N MET 154.A O no hydrogen 2.862 N/A LEU 159.A N ALA 155.A O no hydrogen 2.960 N/A PHE 160.A N ALA 156.A O no hydrogen 2.923 N/A ALA 161.A N LEU 157.A O no hydrogen 2.859 N/A GLY 162.A N MET 158.A O no hydrogen 2.939 N/A TRP 163.A N LEU 159.A O no hydrogen 2.991 N/A PHE 164.A N PHE 160.A O no hydrogen 2.849 N/A HIS 165.A N ALA 161.A O no hydrogen 2.877 N/A TYR 166.A N GLY 162.A O no hydrogen 2.973 N/A HIS 167.A N TRP 163.A O no hydrogen 2.912 N/A HIS 167.A ND1 VAL 7.A O no hydrogen 2.698 N/A VAL 168.A N PHE 164.A O no hydrogen 3.203 N/A LYS 169.A N PHE 164.A O no hydrogen 2.853 N/A ALA 170.A N ASP 3.A O no hydrogen 3.428 N/A LYS 172.A N SER 1.A O no hydrogen 3.166 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.775 N/A GLN 177.A N LEU 173.A O no hydrogen 2.925 N/A VAL 179.A N GLN 177.A O no hydrogen 2.851 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 3.108 N/A MET 183.A N VAL 179.A O no hydrogen 2.960 N/A ASN 184.A ND2 GLU 180.A O no hydrogen 2.332 N/A ASN 184.A ND2 TYR 297.A O no hydrogen 3.295 N/A HIS 185.A N SER 181.A O no hydrogen 2.863 N/A HIS 186.A N MET 182.A O no hydrogen 2.884 N/A HIS 186.A N MET 183.A O no hydrogen 3.272 N/A LEU 187.A N MET 183.A O no hydrogen 2.898 N/A ALA 188.A N ASN 184.A O no hydrogen 2.922 N/A LEU 191.A N HIS 186.A O no hydrogen 3.219 N/A GLY 192.A N LEU 187.A O no hydrogen 2.971 N/A LEU 193.A N GLY 189.A O no hydrogen 2.855 N/A GLY 194.A N LEU 190.A O no hydrogen 2.928 N/A SER 195.A N LEU 191.A O no hydrogen 2.911 N/A SER 195.A OG LEU 191.A O no hydrogen 3.263 N/A SER 195.A OG GLY 192.A O no hydrogen 3.092 N/A SER 195.A OG HIS 283.A O no hydrogen 3.524 N/A LEU 196.A N GLY 192.A O no hydrogen 2.920 N/A GLY 197.A N LEU 193.A O no hydrogen 2.868 N/A TRP 198.A N GLY 194.A O no hydrogen 2.902 N/A ALA 199.A N SER 195.A O no hydrogen 2.838 N/A GLY 200.A N LEU 196.A O no hydrogen 2.945 N/A HIS 201.A N GLY 197.A O no hydrogen 2.869 N/A HIS 201.A NE2 SER 136.A O no hydrogen 3.094 N/A GLN 202.A N TRP 198.A O no hydrogen 2.777 N/A ILE 203.A N ALA 199.A O no hydrogen 2.991 N/A HIS 204.A N GLY 200.A O no hydrogen 2.958 N/A VAL 205.A N HIS 201.A O no hydrogen 2.799 N/A SER 206.A N HIS 201.A O no hydrogen 3.094 N/A SER 206.A N GLN 202.A O no hydrogen 2.998 N/A SER 206.A OG GLN 202.A O no hydrogen 3.238 N/A MET 207.A N GLN 202.A O no hydrogen 2.898 N/A ASN 210.A N SER 206.A O no hydrogen 3.386 N/A ASN 210.A ND2 ARG 134.A O no hydrogen 2.679 N/A ASN 210.A ND2 SER 206.A O no hydrogen 2.595 N/A LYS 211.A N MET 207.A O no hydrogen 2.937 N/A LEU 212.A N PRO 208.A O no hydrogen 2.914 N/A LEU 213.A N ILE 209.A O no hydrogen 2.852 N/A ASP 214.A N ASN 210.A O no hydrogen 2.917 N/A ALA 215.A N LYS 211.A O no hydrogen 2.903 N/A GLY 216.A N LEU 212.A O no hydrogen 3.002 N/A VAL 217.A N LEU 212.A O no hydrogen 2.883 N/A ASP 221.A N ALA 218.A O no hydrogen 2.946 N/A ILE 222.A N ALA 218.A O no hydrogen 3.348 N/A ILE 229.A N HIS 226.A O no hydrogen 2.982 N/A LEU 230.A N HIS 226.A O no hydrogen 2.940 N/A GLU 231.A N GLU 227.A O no hydrogen 3.208 N/A LYS 234.A N GLU 231.A O no hydrogen 3.524 N/A LYS 234.A NZ GLU 227.A OE2 no hydrogen 2.588 N/A GLU 237.A N SER 233.A O no hydrogen 2.889 N/A LEU 238.A N LYS 234.A O no hydrogen 2.978 N/A LEU 238.A N MET 235.A O no hydrogen 2.918 N/A TYR 239.A N MET 235.A O no hydrogen 2.504 N/A SER 241.A OG VAL 256.A O no hydrogen 2.857 N/A PHE 242.A N TYR 239.A O no hydrogen 3.173 N/A THR 251.A OG1 THR 247.A O no hydrogen 2.662 N/A ASN 253.A N PRO 248.A O no hydrogen 3.101 N/A ASN 253.A ND2 THR 251.A O no hydrogen 2.583 N/A TRP 254.A NE1 PHE 249.A O no hydrogen 2.826 N/A VAL 256.A N ASN 253.A O no hydrogen 3.237 N/A TYR 257.A N TRP 254.A O no hydrogen 2.926 N/A TYR 257.A OH GLY 245.A O no hydrogen 3.314 N/A SER 258.A N GLY 255.A O no hydrogen 3.315 N/A SER 258.A OG GLY 255.A O no hydrogen 2.578 N/A LEU 261.A N TYR 257.A O no hydrogen 3.192 N/A THR 262.A OG1 SER 277.A OG no hydrogen 2.975 N/A GLY 265.A N ASP 278.A OD1 no hydrogen 2.578 N/A ASN 268.A N GLY 273.A O no hydrogen 2.876 N/A ASN 268.A ND2 THR 271.A OG1 no hydrogen 3.112 N/A THR 271.A N ASN 268.A O no hydrogen 3.322 N/A GLY 272.A N ASN 268.A O no hydrogen 2.844 N/A GLY 273.A N THR 271.A OG1 no hydrogen 3.102 N/A SER 277.A OG THR 262.A OG1 no hydrogen 2.975 N/A THR 279.A N TRP 275.A O no hydrogen 2.989 N/A THR 279.A OG1 GLN 202.A OE1 no hydrogen 2.570 N/A THR 279.A OG1 LEU 276.A O no hydrogen 2.816 N/A ALA 280.A N LEU 276.A O no hydrogen 2.915 N/A HIS 281.A N SER 277.A O no hydrogen 2.959 N/A HIS 281.A ND1 THR 262.A O no hydrogen 3.111 N/A HIS 282.A N ASP 278.A O no hydrogen 2.881 N/A HIS 283.A N THR 279.A O no hydrogen 2.849 N/A HIS 283.A ND1 THR 279.A O no hydrogen 2.697 N/A LEU 284.A N ALA 280.A O no hydrogen 2.929 N/A ALA 285.A N HIS 281.A O no hydrogen 2.965 N/A ILE 286.A N HIS 282.A O no hydrogen 2.868 N/A ALA 287.A N HIS 283.A O no hydrogen 2.842 N/A VAL 288.A N LEU 284.A O no hydrogen 2.982 N/A LEU 289.A N ALA 285.A O no hydrogen 2.972 N/A PHE 290.A N ILE 286.A O no hydrogen 2.875 N/A ILE 291.A N ALA 287.A O no hydrogen 2.895 N/A ILE 292.A N VAL 288.A O no hydrogen 2.992 N/A ALA 293.A N LEU 289.A O no hydrogen 2.893 N/A GLY 294.A N PHE 290.A O no hydrogen 2.892 N/A HIS 295.A N ILE 292.A O no hydrogen 3.406 N/A MET 296.A N ASN 184.A OD1 no hydrogen 2.995 N/A TYR 297.A N ASN 184.A OD1 no hydrogen 3.378 N/A ARG 298.A N HIS 305.A O no hydrogen 2.877 N/A MET 307.A N GLU 180.A OE2 no hydrogen 3.272 N/A LYS 308.A NZ GLU 312.A OE1 no hydrogen 2.784 N/A LYS 308.A NZ GLU 312.A OE2 no hydrogen 3.015 N/A GLU 309.A N SER 306.A OG no hydrogen 3.318 N/A ILE 310.A N SER 306.A O no hydrogen 3.071 N/A LEU 311.A N MET 307.A O no hydrogen 2.941 N/A GLU 312.A N LYS 308.A O no hydrogen 2.870 N/A ALA 313.A N GLU 309.A O no hydrogen 2.979 N/A ALA 313.A N ILE 310.A O no hydrogen 3.286 N/A HIS 314.A N LEU 311.A O no hydrogen 3.114 N/A LYS 315.A NZ GLU 321.A O no hydrogen 3.391 N/A GLY 316.A N THR 319.A OG1 no hydrogen 3.150 N/A THR 319.A N GLY 316.A O no hydrogen 3.409 N/A GLU 321.A N ASN 409.A O no hydrogen 2.926 N/A GLY 322.A N THR 319.A O no hydrogen 3.020 N/A HIS 323.A N HIS 314.A O no hydrogen 3.162 N/A HIS 323.A ND1 HIS 314.A O no hydrogen 2.846 N/A LYS 324.A NZ GLU 312.A OE1 no hydrogen 3.173 N/A TYR 327.A OH GLU 180.A OE1 no hydrogen 2.510 N/A ILE 329.A N GLY 325.A O no hydrogen 3.315 N/A LEU 330.A N LEU 326.A O no hydrogen 2.952 N/A THR 331.A N TYR 327.A O no hydrogen 2.889 N/A THR 331.A OG1 TYR 327.A O no hydrogen 2.412 N/A THR 331.A OG1 GLU 328.A O no hydrogen 3.252 N/A THR 332.A N GLU 328.A O no hydrogen 2.944 N/A THR 332.A N ILE 329.A O no hydrogen 3.315 N/A THR 332.A OG1 GLU 328.A O no hydrogen 2.234 N/A SER 333.A N ILE 329.A O no hydrogen 2.891 N/A SER 333.A OG ASP 401.A OD2 no hydrogen 2.987 N/A TRP 334.A NE1 SER 55.A OG no hydrogen 2.982 N/A HIS 335.A ND1 HIS 393.A ND1 no hydrogen 3.166 N/A ALA 336.A N SER 333.A OG no hydrogen 3.040 N/A LEU 338.A N TRP 334.A O no hydrogen 2.901 N/A ALA 339.A N HIS 335.A O no hydrogen 2.874 N/A ILE 340.A N ALA 336.A O no hydrogen 3.068 N/A ASN 341.A N GLN 337.A O no hydrogen 2.899 N/A LEU 342.A N LEU 338.A O no hydrogen 2.856 N/A ALA 343.A N ALA 339.A O no hydrogen 3.023 N/A LEU 344.A N ILE 340.A O no hydrogen 3.020 N/A LEU 345.A N ASN 341.A O no hydrogen 2.840 N/A GLY 346.A N LEU 342.A O no hydrogen 2.894 N/A SER 347.A N ALA 343.A O no hydrogen 2.980 N/A SER 347.A OG ALA 343.A O no hydrogen 2.993 N/A LEU 348.A N LEU 344.A O no hydrogen 2.847 N/A THR 349.A N LEU 345.A O no hydrogen 2.885 N/A THR 349.A OG1 LEU 345.A O no hydrogen 2.559 N/A ILE 350.A N GLY 346.A O no hydrogen 3.000 N/A ILE 351.A N SER 347.A O no hydrogen 2.854 N/A VAL 352.A N LEU 348.A O no hydrogen 2.813 N/A ALA 353.A N THR 349.A O no hydrogen 2.965 N/A GLN 354.A N ILE 350.A O no hydrogen 2.945 N/A HIS 355.A N ILE 351.A O no hydrogen 2.867 N/A MET 356.A N VAL 352.A O no hydrogen 2.896 N/A MET 359.A N HIS 355.A O no hydrogen 3.185 N/A TYR 364.A N THR 271.A O no hydrogen 3.112 N/A GLN 365.A N TYR 362.A O no hydrogen 3.402 N/A ASP 368.A N GLN 365.A O no hydrogen 3.151 N/A TYR 369.A OH VAL 506.A O no hydrogen 2.671 N/A TYR 369.A OH GLY 605.A O no hydrogen 3.237 N/A THR 371.A OG1 ASP 368.A OD2 no hydrogen 2.411 N/A GLN 372.A N ASP 368.A O no hydrogen 3.107 N/A LEU 373.A N TYR 369.A O no hydrogen 2.937 N/A SER 374.A N ALA 370.A O no hydrogen 2.889 N/A SER 374.A OG THR 126.A OG1 no hydrogen 2.805 N/A LEU 375.A N THR 371.A O no hydrogen 2.901 N/A PHE 376.A N GLN 372.A O no hydrogen 3.001 N/A THR 377.A N LEU 373.A O no hydrogen 2.975 N/A THR 377.A OG1 LEU 373.A O no hydrogen 2.748 N/A THR 377.A OG1 SER 374.A O no hydrogen 2.960 N/A HIS 378.A N SER 374.A O no hydrogen 2.891 N/A HIS 379.A N LEU 375.A O no hydrogen 3.005 N/A MET 380.A N PHE 376.A O no hydrogen 2.952 N/A TRP 381.A N THR 377.A O no hydrogen 2.955 N/A ILE 382.A N HIS 378.A O no hydrogen 2.989 N/A GLY 383.A N HIS 379.A O no hydrogen 2.979 N/A GLY 384.A N MET 380.A O no hydrogen 2.943 N/A PHE 385.A N TRP 381.A O no hydrogen 2.999 N/A LEU 386.A N ILE 382.A O no hydrogen 3.018 N/A ILE 387.A N GLY 383.A O no hydrogen 2.993 N/A VAL 388.A N GLY 384.A O no hydrogen 3.058 N/A GLY 389.A N PHE 385.A O no hydrogen 2.962 N/A ALA 390.A N LEU 386.A O no hydrogen 2.904 N/A GLY 391.A N ILE 387.A O no hydrogen 3.096 N/A ALA 392.A N VAL 388.A O no hydrogen 2.938 N/A HIS 393.A N GLY 389.A O no hydrogen 2.921 N/A HIS 393.A ND1 HIS 335.A ND1 no hydrogen 3.166 N/A GLY 394.A N ALA 390.A O no hydrogen 2.944 N/A ALA 395.A N GLY 391.A O no hydrogen 3.079 N/A ILE 396.A N ALA 392.A O no hydrogen 2.909 N/A PHE 397.A N HIS 393.A O no hydrogen 2.900 N/A MET 398.A N GLY 394.A O no hydrogen 2.988 N/A VAL 399.A N ALA 395.A O no hydrogen 2.947 N/A ARG 400.A N ILE 396.A O no hydrogen 2.879 N/A ARG 400.A NH1 ASP 43.A OD1 no hydrogen 3.362 N/A ARG 400.A NH2 ASP 43.A OD1 no hydrogen 3.257 N/A ARG 400.A NH2 ASP 43.A OD2 no hydrogen 2.666 N/A ASP 401.A N PHE 397.A O no hydrogen 2.911 N/A LYS 406.A N ASP 403.A OD1 no hydrogen 3.037 N/A LYS 406.A NZ LYS 406.A O no hydrogen 3.419 N/A ASN 407.A N PRO 404.A O no hydrogen 3.297 N/A ASN 407.A ND2 ASP 403.A O no hydrogen 3.236 N/A ASN 410.A ND2 LYS 324.A O no hydrogen 3.109 N/A ASN 410.A ND2 ASN 407.A OD1 no hydrogen 2.565 N/A LEU 411.A N GLY 322.A O no hydrogen 2.977 N/A ASP 413.A N ASN 410.A OD1 no hydrogen 3.089 N/A ARG 414.A N ASN 410.A O no hydrogen 3.269 N/A ARG 414.A NE ASN 409.A OD1 no hydrogen 3.463 N/A MET 415.A N LEU 411.A O no hydrogen 2.882 N/A LEU 416.A N LEU 412.A O no hydrogen 3.032 N/A ARG 417.A N ASP 413.A O no hydrogen 2.878 N/A ARG 417.A NH1 ASN 409.A OD1 no hydrogen 2.965 N/A HIS 418.A N ARG 414.A O no hydrogen 2.977 N/A HIS 418.A ND1 ARG 414.A O no hydrogen 2.326 N/A ARG 419.A NH1 LEU 540.A O no hydrogen 2.779 N/A ARG 419.A NH2 SER 544.A OG no hydrogen 2.902 N/A ILE 422.A N HIS 418.A O no hydrogen 3.052 N/A ILE 423.A N ARG 419.A O no hydrogen 2.891 N/A SER 424.A N ASP 420.A O no hydrogen 2.906 N/A SER 424.A OG ASP 420.A O no hydrogen 2.827 N/A SER 424.A OG ALA 421.A O no hydrogen 3.011 N/A SER 424.A OG HIS 425.A ND1 no hydrogen 3.363 N/A HIS 425.A N ALA 421.A O no hydrogen 3.008 N/A HIS 425.A ND1 ALA 421.A O no hydrogen 2.505 N/A LEU 426.A N ILE 422.A O no hydrogen 2.959 N/A ASN 427.A N ILE 423.A O no hydrogen 2.808 N/A TRP 428.A N SER 424.A O no hydrogen 2.982 N/A VAL 429.A N HIS 425.A O no hydrogen 2.935 N/A CYS 430.A N LEU 426.A O no hydrogen 2.909 N/A CYS 430.A SG LEU 426.A O no hydrogen 3.172 N/A ILE 431.A N ASN 427.A O no hydrogen 3.016 N/A PHE 432.A N TRP 428.A O no hydrogen 2.928 N/A LEU 433.A N VAL 429.A O no hydrogen 2.863 N/A GLY 434.A N CYS 430.A O no hydrogen 2.908 N/A PHE 435.A N ILE 431.A O no hydrogen 2.982 N/A HIS 436.A N PHE 432.A O no hydrogen 2.913 N/A HIS 436.A ND1 PHE 432.A O no hydrogen 2.767 N/A SER 437.A N LEU 433.A O no hydrogen 2.932 N/A SER 437.A OG LEU 433.A O no hydrogen 2.487 N/A PHE 438.A N GLY 434.A O no hydrogen 2.909 N/A GLY 439.A N PHE 435.A O no hydrogen 2.833 N/A TYR 441.A N SER 437.A O no hydrogen 3.167 N/A ILE 442.A N PHE 438.A O no hydrogen 2.878 N/A HIS 443.A N GLY 439.A O no hydrogen 2.793 N/A HIS 443.A NE2 ASP 455.A O no hydrogen 2.754 N/A ASN 444.A N LEU 440.A O no hydrogen 2.943 N/A ASN 444.A ND2 PHE 457.A O no hydrogen 2.733 N/A ASN 444.A ND2 ILE 626.A O no hydrogen 3.228 N/A ASP 445.A N TYR 441.A O no hydrogen 2.919 N/A THR 446.A N ILE 442.A O no hydrogen 2.933 N/A THR 446.A OG1 ILE 442.A O no hydrogen 2.928 N/A MET 447.A N HIS 443.A O no hydrogen 2.886 N/A ARG 448.A N ASN 444.A O no hydrogen 2.900 N/A ARG 448.A NH1 GLN 623.A O no hydrogen 2.948 N/A ARG 448.A NH2 GLN 623.A O no hydrogen 2.916 N/A ALA 449.A N ASP 445.A O no hydrogen 2.914 N/A LEU 450.A N THR 446.A O no hydrogen 2.869 N/A GLY 451.A N ARG 448.A O no hydrogen 3.183 N/A ARG 452.A N MET 447.A O no hydrogen 2.686 N/A ARG 452.A NE ASP 455.A OD2 no hydrogen 3.031 N/A ARG 452.A NH2 ASP 455.A OD2 no hydrogen 3.128 N/A GLN 454.A N GLN 454.A OE1 no hydrogen 2.784 N/A ASP 455.A N ARG 452.A O no hydrogen 3.208 N/A MET 456.A N PRO 453.A O no hydrogen 3.402 N/A PHE 457.A N ASN 444.A OD1 no hydrogen 2.559 N/A SER 458.A N ILE 462.A O no hydrogen 3.013 N/A SER 458.A OG THR 460.A OG1 no hydrogen 3.206 N/A THR 460.A OG1 SER 458.A OG no hydrogen 3.206 N/A ALA 461.A N SER 458.A O no hydrogen 3.356 N/A LEU 464.A N THR 515.A OG1 no hydrogen 3.297 N/A GLN 465.A NE2 GLN 463.A OE1 no hydrogen 3.214 N/A GLN 470.A N PRO 466.A O no hydrogen 2.968 N/A GLN 470.A NE2 GLN 465.A OE1 no hydrogen 2.562 N/A GLN 470.A NE2 LEU 513.A O no hydrogen 2.651 N/A TRP 471.A N ILE 467.A O no hydrogen 2.883 N/A VAL 472.A N PHE 468.A O no hydrogen 2.941 N/A GLN 473.A N ALA 469.A O no hydrogen 2.893 N/A GLN 473.A NE2 ILE 511.A O no hydrogen 3.015 N/A HIS 474.A N GLN 470.A O no hydrogen 2.875 N/A LEU 475.A N TRP 471.A O no hydrogen 2.908 N/A HIS 476.A N VAL 472.A O no hydrogen 2.908 N/A THR 477.A N GLN 473.A O no hydrogen 2.917 N/A THR 477.A OG1 GLN 473.A O no hydrogen 2.416 N/A THR 477.A OG1 PHE 495.A O no hydrogen 3.223 N/A LEU 478.A N HIS 474.A O no hydrogen 2.923 N/A ALA 482.A N ALA 479.A O no hydrogen 3.207 N/A THR 483.A N ALA 479.A O no hydrogen 3.127 N/A ALA 484.A N ALA 479.A O no hydrogen 2.614 N/A ALA 487.A N ALA 484.A O no hydrogen 3.291 N/A LEU 488.A N PHE 263.A O no hydrogen 3.108 N/A ALA 489.A N LYS 264.A O no hydrogen 2.549 N/A THR 490.A OG1 HIS 476.A O no hydrogen 3.353 N/A THR 490.A OG1 SER 492.A O no hydrogen 3.504 N/A PHE 495.A N SER 492.A O no hydrogen 3.200 N/A GLY 496.A N TYR 493.A O no hydrogen 3.220 N/A ILE 500.A N MET 508.A O no hydrogen 3.072 N/A LYS 505.A N VAL 502.A O no hydrogen 3.302 N/A LYS 505.A NZ ILE 367.A O no hydrogen 2.653 N/A LYS 505.A NZ GLY 737.A O no hydrogen 3.494 N/A VAL 506.A N TYR 369.A OH no hydrogen 2.848 N/A ALA 507.A N ILE 500.A O no hydrogen 3.071 N/A ILE 511.A N ALA 494.A O no hydrogen 3.155 N/A GLY 514.A N ASP 517.A OD2 no hydrogen 2.446 N/A THR 515.A N ASP 459.A OD1 no hydrogen 3.144 N/A THR 515.A OG1 ASP 459.A OD1 no hydrogen 2.842 N/A PHE 518.A N GLY 514.A O no hydrogen 3.119 N/A MET 519.A N THR 515.A O no hydrogen 2.949 N/A VAL 520.A N ALA 516.A O no hydrogen 2.929 N/A HIS 521.A N ASP 517.A O no hydrogen 2.895 N/A HIS 521.A ND1 ASP 517.A O no hydrogen 2.502 N/A HIS 522.A N PHE 518.A O no hydrogen 3.027 N/A HIS 522.A ND1 PHE 518.A O no hydrogen 2.459 N/A ILE 523.A N MET 519.A O no hydrogen 2.961 N/A HIS 524.A N VAL 520.A O no hydrogen 2.946 N/A HIS 524.A NE2 HIS 594.A ND1 no hydrogen 3.022 N/A ALA 525.A N HIS 521.A O no hydrogen 2.931 N/A PHE 526.A N HIS 522.A O no hydrogen 2.899 N/A THR 527.A N ILE 523.A O no hydrogen 2.926 N/A THR 527.A OG1 ILE 523.A O no hydrogen 3.121 N/A THR 527.A OG1 HIS 524.A O no hydrogen 3.040 N/A THR 527.A OG1 SER 587.A OG no hydrogen 2.745 N/A ILE 528.A N HIS 524.A O no hydrogen 2.955 N/A HIS 529.A N ALA 525.A O no hydrogen 2.952 N/A HIS 529.A ND1 ALA 525.A O no hydrogen 2.442 N/A VAL 530.A N PHE 526.A O no hydrogen 2.963 N/A THR 531.A N THR 527.A O no hydrogen 3.019 N/A THR 531.A OG1 THR 527.A O no hydrogen 2.895 N/A ALA 532.A N ILE 528.A O no hydrogen 2.885 N/A LEU 533.A N HIS 529.A O no hydrogen 2.783 N/A ILE 534.A N VAL 530.A O no hydrogen 2.937 N/A LEU 535.A N THR 531.A O no hydrogen 3.024 N/A LEU 536.A N ALA 532.A O no hydrogen 2.797 N/A LYS 537.A N LEU 533.A O no hydrogen 2.902 N/A LYS 537.A NZ HIS 576.A NE2 no hydrogen 3.084 N/A GLY 538.A N ILE 534.A O no hydrogen 2.970 N/A VAL 539.A N LEU 535.A O no hydrogen 2.924 N/A LEU 540.A N LEU 536.A O no hydrogen 2.863 N/A TYR 541.A N LYS 537.A O no hydrogen 2.937 N/A TYR 541.A OH ASP 420.A OD1 no hydrogen 2.655 N/A ALA 542.A N VAL 539.A O no hydrogen 3.394 N/A ARG 543.A NH1 MET 398.A O no hydrogen 2.896 N/A SER 545.A N VAL 548.A O no hydrogen 3.011 N/A ARG 546.A NH1 ASP 420.A OD2 no hydrogen 2.858 N/A VAL 548.A N SER 545.A OG no hydrogen 3.381 N/A LYS 551.A NZ TYR 541.A O no hydrogen 3.046 N/A LYS 551.A NZ SER 545.A OG no hydrogen 2.720 N/A ALA 552.A N ARG 543.A O no hydrogen 2.826 N/A ASN 553.A N ASP 550.A O no hydrogen 3.107 N/A LEU 554.A N LYS 551.A O no hydrogen 3.150 N/A GLY 555.A N ALA 552.A O no hydrogen 3.332 N/A ASP 561.A N THR 568.A OG1 no hydrogen 2.910 N/A ARG 565.A NH1 ASP 561.A O no hydrogen 3.366 N/A ARG 565.A NH1 ASP 561.A OD2 no hydrogen 2.880 N/A ARG 565.A NH2 ASP 561.A OD2 no hydrogen 2.720 N/A GLY 567.A N GLY 564.A O no hydrogen 2.779 N/A THR 568.A N GLY 562.A O no hydrogen 3.288 N/A THR 568.A OG1 GLY 562.A O no hydrogen 3.025 N/A GLN 570.A N PRO 559.A O no hydrogen 3.185 N/A SER 572.A OG PHE 556.A O no hydrogen 3.430 N/A SER 572.A OG PHE 558.A O no hydrogen 3.360 N/A SER 572.A OG ASP 575.A OD2 no hydrogen 2.684 N/A TRP 574.A N PHE 556.A O no hydrogen 3.212 N/A ASP 575.A N SER 572.A OG no hydrogen 3.025 N/A HIS 576.A N SER 572.A O no hydrogen 3.252 N/A HIS 576.A ND1 SER 572.A O no hydrogen 2.535 N/A VAL 577.A N GLY 573.A O no hydrogen 2.981 N/A PHE 578.A N TRP 574.A O no hydrogen 2.892 N/A LEU 579.A N ASP 575.A O no hydrogen 2.924 N/A GLY 580.A N HIS 576.A O no hydrogen 2.850 N/A LEU 581.A N VAL 577.A O no hydrogen 2.885 N/A TRP 583.A N LEU 579.A O no hydrogen 3.104 N/A MET 584.A N GLY 580.A O no hydrogen 2.826 N/A TYR 585.A N LEU 581.A O no hydrogen 2.908 N/A ASN 586.A N PHE 582.A O no hydrogen 2.908 N/A SER 587.A N TRP 583.A O no hydrogen 2.908 N/A SER 587.A OG THR 527.A OG1 no hydrogen 2.745 N/A LEU 588.A N MET 584.A O no hydrogen 2.902 N/A SER 589.A N TYR 585.A O no hydrogen 2.935 N/A SER 589.A OG TYR 585.A O no hydrogen 2.895 N/A ILE 590.A N ASN 586.A O no hydrogen 3.073 N/A VAL 591.A N SER 587.A O no hydrogen 2.956 N/A ILE 592.A N LEU 588.A O no hydrogen 2.918 N/A PHE 593.A N SER 589.A O no hydrogen 2.921 N/A HIS 594.A N ILE 590.A O no hydrogen 2.898 N/A HIS 594.A ND1 HIS 524.A NE2 no hydrogen 3.022 N/A PHE 595.A N VAL 591.A O no hydrogen 2.966 N/A SER 596.A N ILE 592.A O no hydrogen 2.907 N/A TRP 597.A N PHE 593.A O no hydrogen 2.971 N/A TRP 597.A NE1 ASN 620.A OD1 no hydrogen 3.119 N/A LYS 598.A N HIS 594.A O no hydrogen 2.936 N/A LYS 598.A NZ THR 512.A O no hydrogen 2.825 N/A LYS 598.A NZ ASP 517.A OD1 no hydrogen 2.685 N/A LYS 598.A NZ ASP 517.A OD2 no hydrogen 3.351 N/A LYS 598.A NZ ASP 602.A OD1 no hydrogen 3.044 N/A MET 599.A N PHE 595.A O no hydrogen 2.913 N/A GLN 600.A N SER 596.A O no hydrogen 2.997 N/A GLN 600.A NE2 SER 596.A O no hydrogen 3.169 N/A GLN 600.A NE2 GLN 639.A OE1 no hydrogen 2.758 N/A SER 601.A N TRP 597.A O no hydrogen 2.883 N/A SER 601.A OG ASP 602.A OD2 no hydrogen 2.383 N/A ASP 602.A N LYS 598.A O no hydrogen 2.908 N/A VAL 603.A N MET 599.A O no hydrogen 3.335 N/A TRP 604.A N MET 599.A O no hydrogen 2.657 N/A GLY 605.A N TYR 369.A OH no hydrogen 3.467 N/A THR 606.A N THR 614.A O no hydrogen 2.891 N/A VAL 607.A N GLY 504.A O no hydrogen 2.714 N/A SER 608.A N SER 612.A O no hydrogen 2.576 N/A GLY 611.A N SER 608.A O no hydrogen 3.167 N/A SER 612.A N ASP 610.A OD1 no hydrogen 3.147 N/A SER 612.A OG ASP 610.A OD1 no hydrogen 3.073 N/A THR 614.A N THR 606.A O no hydrogen 2.879 N/A HIS 615.A ND1 TRP 604.A O no hydrogen 2.820 N/A VAL 616.A N TRP 604.A O no hydrogen 3.280 N/A THR 617.A N GLN 600.A O no hydrogen 3.124 N/A THR 617.A OG1 ASN 620.A OD1 no hydrogen 2.652 N/A PHE 621.A N SER 601.A OG no hydrogen 3.322 N/A GLN 623.A N ASN 620.A O no hydrogen 3.311 N/A GLN 623.A NE2 THR 460.A OG1 no hydrogen 3.247 N/A SER 624.A N ASN 620.A O no hydrogen 2.832 N/A SER 624.A OG ASP 634.A OD2 no hydrogen 2.803 N/A ALA 625.A N PHE 621.A O no hydrogen 3.328 N/A THR 627.A N SER 624.A O no hydrogen 3.402 N/A THR 627.A OG1 SER 624.A O no hydrogen 3.445 N/A ILE 628.A N ASP 445.A OD2 no hydrogen 2.451 N/A ASN 629.A N ASP 445.A OD1 no hydrogen 3.006 N/A GLY 630.A N THR 627.A OG1 no hydrogen 2.728 N/A TRP 631.A N THR 627.A O no hydrogen 3.203 N/A TRP 631.A NE1 ALA 625.A O no hydrogen 3.063 N/A LEU 632.A N ILE 628.A O no hydrogen 2.887 N/A ARG 633.A N ASN 629.A O no hydrogen 2.849 N/A ARG 633.A NE ASP 634.A OD1 no hydrogen 3.376 N/A ARG 633.A NE ASP 634.A OD2 no hydrogen 3.054 N/A ARG 633.A NH2 ASP 634.A OD2 no hydrogen 2.779 N/A ASP 634.A N GLY 630.A O no hydrogen 2.874 N/A LEU 636.A N TRP 631.A O no hydrogen 2.992 N/A TRP 637.A N LEU 632.A O no hydrogen 2.791 N/A ALA 638.A N ARG 633.A O no hydrogen 2.934 N/A GLN 639.A N PHE 635.A O no hydrogen 3.315 N/A ALA 640.A N LEU 636.A O no hydrogen 2.965 N/A ALA 641.A N ALA 638.A O no hydrogen 3.377 N/A ILE 644.A N ALA 640.A O no hydrogen 2.992 N/A ASN 645.A N ALA 641.A O no hydrogen 3.001 N/A ASN 645.A ND2 ALA 641.A O no hydrogen 3.067 N/A SER 646.A OG VAL 643.A O no hydrogen 2.783 N/A SER 646.A OG LEU 651.A O no hydrogen 3.455 N/A SER 649.A N SER 646.A O no hydrogen 3.162 N/A SER 649.A OG SER 646.A O no hydrogen 2.814 N/A LEU 651.A N SER 649.A OG no hydrogen 3.009 N/A SER 652.A N SER 649.A O no hydrogen 3.435 N/A SER 652.A OG SER 649.A O no hydrogen 2.882 N/A GLY 655.A N LEU 651.A O no hydrogen 3.297 N/A ILE 656.A N SER 652.A O no hydrogen 2.907 N/A MET 657.A N ALA 653.A O no hydrogen 2.971 N/A PHE 658.A N TYR 654.A O no hydrogen 3.139 N/A LEU 659.A N GLY 655.A O no hydrogen 2.951 N/A ALA 660.A N ILE 656.A O no hydrogen 2.644 N/A GLY 661.A N MET 657.A O no hydrogen 2.808 N/A HIS 662.A ND1 PHE 658.A O no hydrogen 2.318 N/A PHE 663.A N LEU 659.A O no hydrogen 2.974 N/A VAL 664.A N ALA 660.A O no hydrogen 3.125 N/A PHE 665.A N GLY 661.A O no hydrogen 3.090 N/A PHE 667.A N PHE 663.A O no hydrogen 2.774 N/A SER 668.A N VAL 664.A O no hydrogen 2.748 N/A SER 668.A OG PHE 665.A O no hydrogen 2.604 N/A LEU 669.A N ALA 666.A O no hydrogen 3.029 N/A MET 670.A N PHE 667.A O no hydrogen 3.066 N/A LEU 672.A N SER 668.A O no hydrogen 2.881 N/A LEU 672.A N LEU 669.A O no hydrogen 3.065 N/A PHE 673.A N LEU 669.A O no hydrogen 2.842 N/A SER 674.A OG MET 670.A O no hydrogen 3.195 N/A ARG 676.A NE LEU 704.A O no hydrogen 2.722 N/A ARG 676.A NH2 ALA 703.A O no hydrogen 2.999 N/A GLN 680.A N ARG 676.A O no hydrogen 2.876 N/A GLN 680.A NE2 GLN 680.A O no hydrogen 3.341 N/A GLU 681.A N GLY 677.A O no hydrogen 3.025 N/A LEU 682.A N TYR 678.A O no hydrogen 2.955 N/A ILE 683.A N TRP 679.A O no hydrogen 2.876 N/A GLU 684.A N GLN 680.A O no hydrogen 2.912 N/A SER 685.A N GLU 681.A O no hydrogen 3.110 N/A SER 685.A OG GLU 681.A O no hydrogen 3.441 N/A ILE 686.A N LEU 682.A O no hydrogen 3.048 N/A VAL 687.A N ILE 683.A O no hydrogen 2.799 N/A TRP 688.A N GLU 684.A O no hydrogen 2.951 N/A ALA 689.A N SER 685.A O no hydrogen 3.052 N/A HIS 690.A N ILE 686.A O no hydrogen 2.889 N/A ASN 691.A N VAL 687.A O no hydrogen 2.777 N/A LYS 692.A N TRP 688.A O no hydrogen 3.040 N/A ASN 694.A N ASN 691.A O no hydrogen 3.461 N/A VAL 695.A N HIS 690.A O no hydrogen 2.867 N/A GLN 700.A N LYS 29.A O no hydrogen 2.971 N/A ARG 702.A N THR 31.A OG1 no hydrogen 2.889 N/A ARG 702.A NH2 GLN 700.A OE1 no hydrogen 3.537 N/A ALA 703.A N GLN 680.A OE1 no hydrogen 2.638 N/A GLN 708.A N SER 705.A OG no hydrogen 3.024 N/A GLY 709.A N SER 705.A O no hydrogen 2.657 N/A ARG 710.A N ILE 706.A O no hydrogen 2.996 N/A ARG 710.A NH1 PRO 559.A O no hydrogen 3.042 N/A ARG 710.A NH1 ASP 575.A OD1 no hydrogen 2.714 N/A ALA 711.A N ILE 707.A O no hydrogen 2.849 N/A VAL 712.A N GLN 708.A O no hydrogen 2.850 N/A GLY 713.A N GLY 709.A O no hydrogen 2.961 N/A VAL 714.A N ARG 710.A O no hydrogen 2.923 N/A ALA 715.A N ALA 711.A O no hydrogen 2.918 N/A HIS 716.A N VAL 712.A O no hydrogen 2.937 N/A TYR 717.A N GLY 713.A O no hydrogen 2.926 N/A LEU 718.A N VAL 714.A O no hydrogen 2.965 N/A LEU 719.A N ALA 715.A O no hydrogen 2.911 N/A GLY 720.A N HIS 716.A O no hydrogen 2.890 N/A GLY 721.A N TYR 717.A O no hydrogen 3.003 N/A ILE 722.A N LEU 718.A O no hydrogen 2.904 N/A VAL 723.A N LEU 719.A O no hydrogen 2.912 N/A THR 724.A N GLY 720.A O no hydrogen 2.953 N/A THR 724.A OG1 GLY 720.A O no hydrogen 2.858 N/A THR 725.A N GLY 721.A O no hydrogen 2.955 N/A THR 725.A OG1 GLY 721.A O no hydrogen 3.413 N/A TRP 726.A N ILE 722.A O no hydrogen 2.833 N/A ALA 727.A N VAL 723.A O no hydrogen 2.923 N/A PHE 728.A N THR 724.A O no hydrogen 2.950 N/A PHE 729.A N THR 725.A O no hydrogen 2.828 N/A LEU 730.A N TRP 726.A O no hydrogen 2.926 N/A ALA 731.A N ALA 727.A O no hydrogen 2.960 N/A ARG 732.A N PHE 728.A O no hydrogen 2.951 N/A ARG 732.A NE GLN 600.A OE1 no hydrogen 2.541 N/A ARG 732.A NH1 ASN 642.A OD1 no hydrogen 3.018 N/A ARG 732.A NH2 GLN 600.A OE1 no hydrogen 3.077 N/A SER 733.A N PHE 729.A O no hydrogen 2.924 N/A SER 733.A OG PHE 729.A O no hydrogen 2.799 N/A LEU 734.A N LEU 730.A O no hydrogen 2.886 N/A SER 735.A N ARG 732.A O no hydrogen 3.130 N/A SER 735.A OG ALA 731.A O no hydrogen 3.325 N/A