Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7s3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 12.A OG1 THR 12.A O no hydrogen 2.290 N/A TRP 17.A N PHE 14.A O no hydrogen 3.126 N/A ALA 18.A N GLU 15.A O no hydrogen 3.483 N/A THR 26.A N ASP 24.A OD2 no hydrogen 3.118 N/A THR 33.A N PRO 31.A O no hydrogen 2.862 N/A THR 34.A OG1 ARG 714.A O no hydrogen 3.410 N/A TRP 36.A NE1 LEU 27.A O no hydrogen 2.349 N/A ILE 37.A N THR 34.A O no hydrogen 2.923 N/A ASN 39.A N THR 35.A O no hydrogen 2.851 N/A LEU 40.A N TRP 36.A O no hydrogen 2.927 N/A ALA 42.A N ASN 39.A O no hydrogen 3.390 N/A SER 49.A N ASP 46.A O no hydrogen 3.338 N/A SER 49.A OG ASP 46.A OD2 no hydrogen 2.149 N/A HIS 50.A NE2 ALA 44.A O no hydrogen 3.220 N/A ILE 57.A N ASP 53.A O no hydrogen 3.328 N/A SER 58.A N LEU 54.A O no hydrogen 2.902 N/A SER 58.A OG LEU 54.A O no hydrogen 2.534 N/A ARG 59.A N GLN 55.A O no hydrogen 2.984 N/A ARG 59.A NE PRO 174.A O no hydrogen 2.582 N/A LYS 60.A N ASP 56.A O no hydrogen 2.997 N/A ILE 61.A N ILE 57.A O no hydrogen 2.898 N/A PHE 62.A N SER 58.A O no hydrogen 2.951 N/A SER 63.A N ARG 59.A O no hydrogen 3.089 N/A SER 63.A OG GLY 165.A O no hydrogen 2.365 N/A SER 63.A OG HIS 168.A O no hydrogen 3.467 N/A ALA 64.A N LYS 60.A O no hydrogen 2.903 N/A HIS 65.A N ILE 61.A O no hydrogen 2.874 N/A PHE 66.A N PHE 62.A O no hydrogen 3.093 N/A GLY 67.A N SER 63.A O no hydrogen 3.001 N/A HIS 68.A N ALA 64.A O no hydrogen 2.917 N/A LEU 69.A N HIS 65.A O no hydrogen 2.958 N/A ALA 70.A N PHE 66.A O no hydrogen 2.968 N/A VAL 71.A N GLY 67.A O no hydrogen 3.008 N/A VAL 72.A N HIS 68.A O no hydrogen 2.973 N/A PHE 73.A N LEU 69.A O no hydrogen 2.913 N/A VAL 74.A N ALA 70.A O no hydrogen 2.941 N/A TRP 75.A N VAL 71.A O no hydrogen 3.008 N/A LEU 76.A N VAL 72.A O no hydrogen 2.916 N/A SER 77.A N PHE 73.A O no hydrogen 2.867 N/A SER 77.A OG ALA 151.A O no hydrogen 2.793 N/A GLY 78.A N VAL 74.A O no hydrogen 2.930 N/A MET 79.A N TRP 75.A O no hydrogen 2.955 N/A TYR 80.A N LEU 76.A O no hydrogen 2.968 N/A PHE 81.A N SER 77.A O no hydrogen 2.887 N/A HIS 82.A N GLY 78.A O no hydrogen 2.897 N/A GLY 83.A N MET 79.A O no hydrogen 2.955 N/A ALA 84.A N PHE 81.A O no hydrogen 3.099 N/A PHE 86.A N HIS 82.A O no hydrogen 3.045 N/A SER 87.A OG GLY 83.A O no hydrogen 2.765 N/A ASN 88.A N SER 102.A O no hydrogen 3.219 N/A ASN 88.A ND2 ARG 100.A O no hydrogen 2.862 N/A PHE 89.A N SER 87.A OG no hydrogen 3.117 N/A TRP 92.A N ASN 88.A O no hydrogen 2.873 N/A MET 93.A N PHE 89.A O no hydrogen 2.801 N/A ALA 94.A N SER 90.A O no hydrogen 2.979 N/A ASP 95.A N SER 91.A O no hydrogen 3.052 N/A THR 97.A OG1 ASP 95.A OD1 no hydrogen 3.230 N/A ILE 99.A N ASP 95.A O no hydrogen 3.297 N/A ARG 100.A N MET 119.A O no hydrogen 2.817 N/A SER 102.A N ASN 88.A OD1 no hydrogen 2.969 N/A SER 102.A OG ILE 126.A O no hydrogen 2.725 N/A VAL 106.A N ASN 116.A OD1 no hydrogen 2.905 N/A LEU 109.A N TRP 107.A O no hydrogen 2.887 N/A GLN 112.A N LEU 109.A O no hydrogen 3.034 N/A LEU 115.A N GLN 112.A O no hydrogen 3.325 N/A ASN 116.A N ASP 113.A O no hydrogen 3.375 N/A ASN 116.A ND2 VAL 106.A O no hydrogen 2.976 N/A GLY 117.A N GLY 125.A O no hydrogen 2.632 N/A MET 119.A N PHE 123.A O no hydrogen 2.891 N/A GLY 120.A N ASP 118.A OD2 no hydrogen 3.103 N/A GLY 125.A N GLY 117.A O no hydrogen 2.917 N/A ILE 126.A N GLN 104.A O no hydrogen 2.936 N/A ILE 128.A N PRO 101.A O no hydrogen 2.989 N/A THR 129.A OG1 SER 385.A OG no hydrogen 3.074 N/A GLN 134.A N GLN 134.A OE1 no hydrogen 2.656 N/A GLN 134.A NE2 TYR 375.A O no hydrogen 3.218 N/A GLN 134.A NE2 ASP 379.A OD2 no hydrogen 3.506 N/A MET 135.A N GLY 131.A O no hydrogen 3.115 N/A TRP 136.A N LEU 132.A O no hydrogen 2.868 N/A ARG 137.A N PHE 133.A O no hydrogen 2.925 N/A ARG 137.A NH1 MET 93.A O no hydrogen 3.305 N/A GLY 138.A N GLN 134.A O no hydrogen 3.328 N/A GLU 139.A N MET 135.A O no hydrogen 2.911 N/A GLY 140.A N TRP 136.A O no hydrogen 3.140 N/A PHE 141.A N TRP 136.A O no hydrogen 2.898 N/A THR 142.A N GLN 146.A OE1 no hydrogen 3.263 N/A THR 142.A OG1 GLN 146.A OE1 no hydrogen 3.511 N/A TYR 148.A N GLU 144.A O no hydrogen 2.923 N/A CYS 149.A N PHE 145.A O no hydrogen 2.897 N/A CYS 149.A SG PHE 145.A O no hydrogen 3.349 N/A THR 150.A N GLN 146.A O no hydrogen 2.954 N/A THR 150.A OG1 GLN 146.A O no hydrogen 2.925 N/A ALA 151.A N LEU 147.A O no hydrogen 2.910 N/A ILE 152.A N TYR 148.A O no hydrogen 2.972 N/A GLY 153.A N CYS 149.A O no hydrogen 2.931 N/A ALA 154.A N THR 150.A O no hydrogen 2.900 N/A LEU 155.A N ALA 151.A O no hydrogen 2.962 N/A VAL 156.A N ILE 152.A O no hydrogen 2.950 N/A MET 157.A N GLY 153.A O no hydrogen 2.896 N/A ALA 158.A N ALA 154.A O no hydrogen 2.886 N/A GLY 159.A N LEU 155.A O no hydrogen 3.039 N/A LEU 160.A N VAL 156.A O no hydrogen 2.898 N/A MET 161.A N MET 157.A O no hydrogen 2.804 N/A ILE 162.A N ALA 158.A O no hydrogen 3.039 N/A PHE 163.A N LEU 160.A O no hydrogen 3.275 N/A ALA 164.A N LEU 160.A O no hydrogen 3.061 N/A GLY 165.A N MET 161.A O no hydrogen 3.369 N/A TRP 166.A N PHE 163.A O no hydrogen 3.291 N/A PHE 167.A N PHE 163.A O no hydrogen 2.828 N/A HIS 168.A N ALA 164.A O no hydrogen 3.126 N/A HIS 170.A N TRP 166.A O no hydrogen 2.921 N/A ARG 172.A N PHE 167.A O no hydrogen 2.858 N/A GLN 180.A N LEU 176.A O no hydrogen 3.118 N/A ASN 181.A N TRP 178.A O no hydrogen 3.392 N/A MET 185.A N ASN 181.A O no hydrogen 3.041 N/A LEU 186.A N VAL 182.A O no hydrogen 2.891 N/A ASN 187.A N GLN 183.A O no hydrogen 2.926 N/A ASN 187.A ND2 TYR 300.A O no hydrogen 2.766 N/A HIS 188.A N SER 184.A O no hydrogen 2.915 N/A HIS 188.A ND1 SER 184.A O no hydrogen 2.341 N/A HIS 189.A N MET 185.A O no hydrogen 2.872 N/A LEU 190.A N LEU 186.A O no hydrogen 2.884 N/A ALA 191.A N ASN 187.A O no hydrogen 2.955 N/A GLY 192.A N HIS 188.A O no hydrogen 2.639 N/A LEU 193.A N HIS 188.A O no hydrogen 3.042 N/A LEU 194.A N HIS 189.A O no hydrogen 2.992 N/A GLY 195.A N LEU 190.A O no hydrogen 3.248 N/A LEU 196.A N ALA 191.A O no hydrogen 2.945 N/A GLY 197.A N LEU 193.A O no hydrogen 3.264 N/A SER 198.A N LEU 194.A O no hydrogen 2.918 N/A SER 198.A OG LEU 194.A O no hydrogen 3.458 N/A SER 198.A OG GLY 195.A O no hydrogen 3.433 N/A SER 198.A OG HIS 286.A O no hydrogen 3.505 N/A LEU 199.A N GLY 195.A O no hydrogen 2.941 N/A GLY 200.A N LEU 196.A O no hydrogen 2.844 N/A TRP 201.A N GLY 197.A O no hydrogen 2.943 N/A ALA 202.A N SER 198.A O no hydrogen 2.848 N/A GLY 203.A N LEU 199.A O no hydrogen 2.958 N/A HIS 204.A N GLY 200.A O no hydrogen 2.957 N/A HIS 204.A NE2 GLU 139.A O no hydrogen 2.624 N/A LEU 205.A N TRP 201.A O no hydrogen 2.844 N/A ILE 206.A N ALA 202.A O no hydrogen 2.910 N/A HIS 207.A N GLY 203.A O no hydrogen 3.018 N/A VAL 208.A N HIS 204.A O no hydrogen 2.608 N/A ALA 209.A N HIS 204.A O no hydrogen 3.258 N/A LEU 210.A N LEU 205.A O no hydrogen 2.740 N/A THR 212.A N VAL 208.A O no hydrogen 3.199 N/A THR 212.A OG1 VAL 208.A O no hydrogen 2.764 N/A ASN 213.A N ALA 209.A O no hydrogen 2.876 N/A ASN 213.A ND2 ARG 137.A O no hydrogen 3.208 N/A LYS 214.A N LEU 210.A O no hydrogen 2.919 N/A LEU 215.A N PRO 211.A O no hydrogen 2.987 N/A LEU 216.A N THR 212.A O no hydrogen 2.870 N/A ASP 217.A N ASN 213.A O no hydrogen 2.868 N/A ALA 218.A N LYS 214.A O no hydrogen 2.930 N/A GLY 219.A N LEU 215.A O no hydrogen 3.070 N/A VAL 220.A N LEU 215.A O no hydrogen 3.052 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.677 N/A ASP 224.A N ALA 221.A O no hydrogen 2.906 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.835 N/A VAL 232.A N PRO 228.A O no hydrogen 3.019 N/A LEU 233.A N HIS 229.A O no hydrogen 2.425 N/A ASP 234.A N GLU 230.A O no hydrogen 3.134 N/A ALA 239.A N LYS 235.A O no hydrogen 2.849 N/A GLU 240.A N ALA 236.A O no hydrogen 2.955 N/A TYR 242.A N MET 238.A O no hydrogen 3.113 N/A SER 244.A OG THR 259.A O no hydrogen 1.739 N/A GLY 248.A N PHE 245.A O no hydrogen 3.451 N/A THR 254.A N ARG 250.A O no hydrogen 3.073 N/A THR 254.A OG1 ARG 250.A O no hydrogen 2.811 N/A TRP 257.A NE1 PHE 252.A O no hydrogen 3.208 N/A THR 259.A N ASN 256.A O no hydrogen 3.425 N/A THR 259.A OG1 ASN 256.A O no hydrogen 3.193 N/A TYR 260.A N TRP 257.A O no hydrogen 2.991 N/A TYR 260.A OH GLY 248.A O no hydrogen 2.536 N/A SER 261.A OG ALA 258.A O no hydrogen 2.819 N/A PHE 263.A N TYR 260.A O no hydrogen 3.501 N/A LEU 264.A N TYR 260.A O no hydrogen 3.214 N/A THR 265.A OG1 ASN 267.A OD1 no hydrogen 2.906 N/A THR 265.A OG1 THR 280.A OG1 no hydrogen 2.275 N/A ASN 271.A N GLY 276.A O no hydrogen 2.638 N/A ASN 271.A ND2 THR 274.A OG1 no hydrogen 3.118 N/A GLY 276.A N THR 274.A OG1 no hydrogen 3.220 N/A THR 280.A OG1 THR 265.A OG1 no hydrogen 2.275 N/A ILE 282.A N TRP 278.A O no hydrogen 2.900 N/A ALA 283.A N MET 279.A O no hydrogen 2.964 N/A HIS 284.A N THR 280.A O no hydrogen 2.951 N/A HIS 284.A ND1 THR 265.A O no hydrogen 3.027 N/A HIS 285.A N ASP 281.A O no hydrogen 2.962 N/A HIS 286.A N ILE 282.A O no hydrogen 3.007 N/A VAL 287.A N ALA 283.A O no hydrogen 2.977 N/A ALA 288.A N HIS 284.A O no hydrogen 2.969 N/A ILE 289.A N HIS 285.A O no hydrogen 2.927 N/A ALA 290.A N HIS 286.A O no hydrogen 2.909 N/A VAL 291.A N VAL 287.A O no hydrogen 3.052 N/A LEU 292.A N ALA 288.A O no hydrogen 2.936 N/A PHE 293.A N ILE 289.A O no hydrogen 2.819 N/A ILE 294.A N ALA 290.A O no hydrogen 2.958 N/A PHE 295.A N VAL 291.A O no hydrogen 3.235 N/A ALA 296.A N LEU 292.A O no hydrogen 2.880 N/A GLY 297.A N PHE 293.A O no hydrogen 2.944 N/A GLY 297.A N ILE 294.A O no hydrogen 2.956 N/A HIS 298.A N PHE 295.A O no hydrogen 3.290 N/A TYR 300.A N ASN 187.A OD1 no hydrogen 3.236 N/A ARG 301.A N HIS 308.A O no hydrogen 2.676 N/A ARG 301.A NE GLY 305.A O no hydrogen 2.511 N/A ARG 301.A NH2 GLY 305.A O no hydrogen 3.471 N/A THR 302.A OG1 TYR 300.A O no hydrogen 2.988 N/A ILE 306.A N TRP 304.A O no hydrogen 2.820 N/A HIS 308.A N MET 299.A O no hydrogen 2.653 N/A SER 309.A OG THR 312.A OG1 no hydrogen 2.176 N/A ARG 311.A NH1 GLU 339.A OE2 no hydrogen 2.799 N/A THR 312.A N SER 309.A O no hydrogen 3.166 N/A THR 312.A OG1 SER 309.A OG no hydrogen 2.176 N/A MET 313.A N SER 309.A O no hydrogen 3.201 N/A LEU 314.A N ILE 310.A O no hydrogen 2.904 N/A GLU 315.A N ARG 311.A O no hydrogen 2.955 N/A ASP 316.A N THR 312.A O no hydrogen 2.967 N/A ALA 317.A N LEU 314.A O no hydrogen 3.352 N/A HIS 319.A N GLY 330.A O no hydrogen 2.804 N/A LYS 321.A N ARG 318.A O no hydrogen 2.720 N/A LEU 326.A N LEU 323.A O no hydrogen 2.859 N/A SER 327.A OG PRO 324.A O no hydrogen 2.721 N/A HIS 334.A ND1 ALA 317.A O no hydrogen 2.634 N/A VAL 340.A N GLY 336.A O no hydrogen 3.218 N/A LEU 341.A N LEU 337.A O no hydrogen 3.105 N/A THR 342.A N PHE 338.A O no hydrogen 3.228 N/A THR 342.A OG1 PHE 338.A O no hydrogen 2.494 N/A THR 343.A OG1 GLU 339.A O no hydrogen 2.330 N/A SER 344.A N VAL 340.A O no hydrogen 3.016 N/A SER 344.A OG ASP 412.A OD2 no hydrogen 2.728 N/A TRP 345.A NE1 SER 58.A OG no hydrogen 2.932 N/A HIS 346.A ND1 HIS 404.A ND1 no hydrogen 2.916 N/A ALA 347.A N SER 344.A OG no hydrogen 3.402 N/A GLN 348.A NE2 LEU 341.A O no hydrogen 2.981 N/A LEU 349.A N TRP 345.A O no hydrogen 2.906 N/A SER 350.A N HIS 346.A O no hydrogen 2.856 N/A SER 350.A OG ALA 401.A O no hydrogen 3.157 N/A ILE 351.A N ALA 347.A O no hydrogen 3.091 N/A ASN 352.A N GLN 348.A O no hydrogen 2.896 N/A LEU 353.A N LEU 349.A O no hydrogen 2.826 N/A ALA 354.A N SER 350.A O no hydrogen 3.031 N/A MET 355.A N ILE 351.A O no hydrogen 2.972 N/A MET 356.A N ASN 352.A O no hydrogen 2.799 N/A GLY 357.A N LEU 353.A O no hydrogen 2.903 N/A SER 358.A N ALA 354.A O no hydrogen 2.967 N/A SER 358.A OG ALA 354.A O no hydrogen 2.882 N/A LEU 359.A N MET 355.A O no hydrogen 2.857 N/A SER 360.A N MET 356.A O no hydrogen 2.909 N/A SER 360.A OG HIS 390.A O no hydrogen 2.935 N/A ILE 361.A N GLY 357.A O no hydrogen 3.008 N/A ILE 362.A N SER 358.A O no hydrogen 2.932 N/A VAL 363.A N LEU 359.A O no hydrogen 2.837 N/A ALA 364.A N SER 360.A O no hydrogen 2.959 N/A GLN 365.A N ILE 361.A O no hydrogen 2.974 N/A HIS 366.A N VAL 363.A O no hydrogen 3.333 N/A SER 369.A OG GLN 365.A O no hydrogen 3.310 N/A ASP 379.A N LEU 376.A O no hydrogen 3.268 N/A TYR 380.A OH VAL 518.A O no hydrogen 2.841 N/A TYR 380.A OH GLY 617.A O no hydrogen 3.319 N/A THR 382.A OG1 ASP 379.A OD2 no hydrogen 2.434 N/A VAL 383.A N ASP 379.A O no hydrogen 3.178 N/A THR 384.A N TYR 380.A O no hydrogen 2.947 N/A THR 384.A OG1 TYR 380.A O no hydrogen 2.698 N/A SER 385.A N GLY 381.A O no hydrogen 2.905 N/A SER 385.A OG THR 129.A OG1 no hydrogen 3.074 N/A SER 385.A OG GLY 381.A O no hydrogen 2.588 N/A LEU 386.A N THR 382.A O no hydrogen 2.879 N/A PHE 387.A N VAL 383.A O no hydrogen 3.046 N/A THR 388.A N THR 384.A O no hydrogen 2.952 N/A THR 388.A OG1 THR 384.A O no hydrogen 2.543 N/A HIS 389.A N SER 385.A O no hydrogen 2.848 N/A HIS 390.A N LEU 386.A O no hydrogen 3.030 N/A MET 391.A N PHE 387.A O no hydrogen 2.979 N/A TRP 392.A N THR 388.A O no hydrogen 2.993 N/A ILE 393.A N HIS 389.A O no hydrogen 2.958 N/A GLY 394.A N HIS 390.A O no hydrogen 2.927 N/A GLY 395.A N MET 391.A O no hydrogen 2.959 N/A PHE 396.A N TRP 392.A O no hydrogen 2.999 N/A LEU 397.A N ILE 393.A O no hydrogen 2.979 N/A ILE 398.A N GLY 394.A O no hydrogen 2.933 N/A VAL 399.A N GLY 395.A O no hydrogen 2.998 N/A GLY 400.A N PHE 396.A O no hydrogen 2.986 N/A ALA 401.A N LEU 397.A O no hydrogen 2.981 N/A ALA 402.A N ILE 398.A O no hydrogen 3.409 N/A ALA 403.A N VAL 399.A O no hydrogen 2.979 N/A HIS 404.A N GLY 400.A O no hydrogen 2.972 N/A HIS 404.A ND1 HIS 346.A ND1 no hydrogen 2.916 N/A ALA 405.A N ALA 401.A O no hydrogen 2.912 N/A GLY 406.A N ALA 402.A O no hydrogen 3.008 N/A ILE 407.A N ALA 403.A O no hydrogen 3.084 N/A PHE 408.A N HIS 404.A O no hydrogen 2.918 N/A VAL 410.A N GLY 406.A O no hydrogen 3.321 N/A ARG 411.A N ILE 407.A O no hydrogen 3.132 N/A ARG 411.A NH1 ASP 46.A OD1 no hydrogen 2.970 N/A ARG 411.A NH1 ASP 46.A OD2 no hydrogen 2.905 N/A ARG 411.A NH2 ASP 46.A OD2 no hydrogen 2.915 N/A ASP 412.A N PHE 408.A O no hydrogen 2.798 N/A TYR 413.A N PHE 408.A O no hydrogen 2.693 N/A ALA 416.A N ASP 414.A OD1 no hydrogen 3.353 N/A ASN 418.A N ASP 414.A O no hydrogen 3.476 N/A ASN 420.A N ASP 424.A OD2 no hydrogen 2.781 N/A VAL 422.A N GLY 333.A O no hydrogen 2.807 N/A ASP 424.A N ASN 421.A OD1 no hydrogen 2.981 N/A ARG 425.A N ASN 421.A O no hydrogen 2.775 N/A ARG 425.A NH1 ASN 420.A OD1 no hydrogen 2.882 N/A ARG 425.A NH2 PHE 328.A O no hydrogen 3.031 N/A VAL 426.A N VAL 422.A O no hydrogen 2.958 N/A LEU 427.A N LEU 423.A O no hydrogen 3.309 N/A ARG 428.A NH1 ASN 420.A OD1 no hydrogen 2.884 N/A ARG 428.A NH1 ASP 424.A OD2 no hydrogen 3.267 N/A ARG 428.A NH2 ASN 420.A OD1 no hydrogen 3.370 N/A HIS 429.A N VAL 426.A O no hydrogen 3.273 N/A HIS 429.A ND1 ARG 425.A O no hydrogen 2.400 N/A ARG 430.A NH1 LEU 552.A O no hydrogen 2.645 N/A ARG 430.A NH1 ASN 556.A OD1 no hydrogen 3.416 N/A ARG 430.A NH2 ASN 556.A O no hydrogen 2.869 N/A ARG 430.A NH2 ASN 556.A OD1 no hydrogen 2.943 N/A ALA 432.A N HIS 429.A O no hydrogen 2.933 N/A ILE 434.A N ARG 430.A O no hydrogen 2.947 N/A SER 435.A N ASP 431.A O no hydrogen 2.895 N/A SER 435.A OG ASP 431.A O no hydrogen 2.506 N/A SER 435.A OG ALA 432.A O no hydrogen 3.136 N/A SER 435.A OG HIS 436.A ND1 no hydrogen 3.429 N/A HIS 436.A N ALA 432.A O no hydrogen 3.023 N/A HIS 436.A ND1 ALA 432.A O no hydrogen 2.281 N/A LEU 437.A N ILE 433.A O no hydrogen 2.969 N/A VAL 438.A N ILE 434.A O no hydrogen 2.835 N/A TRP 439.A N SER 435.A O no hydrogen 2.985 N/A VAL 440.A N HIS 436.A O no hydrogen 2.943 N/A CYS 441.A N LEU 437.A O no hydrogen 2.940 N/A CYS 441.A SG LEU 437.A O no hydrogen 3.067 N/A GLN 442.A N VAL 438.A O no hydrogen 3.021 N/A PHE 443.A N TRP 439.A O no hydrogen 2.898 N/A LEU 444.A N VAL 440.A O no hydrogen 2.912 N/A GLY 445.A N CYS 441.A O no hydrogen 2.863 N/A PHE 446.A N GLN 442.A O no hydrogen 2.960 N/A HIS 447.A N PHE 443.A O no hydrogen 3.046 N/A HIS 447.A ND1 PHE 443.A O no hydrogen 2.725 N/A SER 448.A OG LEU 444.A O no hydrogen 2.589 N/A PHE 449.A N GLY 445.A O no hydrogen 3.253 N/A TYR 452.A N SER 448.A O no hydrogen 3.449 N/A TYR 452.A OH SER 637.A O no hydrogen 3.220 N/A CYS 453.A N PHE 449.A O no hydrogen 2.977 N/A CYS 453.A SG PHE 449.A O no hydrogen 3.727 N/A HIS 454.A N ALA 450.A O no hydrogen 2.859 N/A HIS 454.A NE2 ASP 466.A O no hydrogen 2.731 N/A ASN 455.A N MET 451.A O no hydrogen 2.943 N/A ASN 455.A ND2 PHE 468.A O no hydrogen 3.608 N/A ASN 455.A ND2 ILE 638.A O no hydrogen 2.770 N/A ASP 456.A N TYR 452.A O no hydrogen 2.926 N/A THR 457.A N CYS 453.A O no hydrogen 3.011 N/A THR 457.A OG1 CYS 453.A O no hydrogen 2.712 N/A MET 458.A N HIS 454.A O no hydrogen 2.911 N/A ARG 459.A N ASN 455.A O no hydrogen 2.864 N/A ARG 459.A NH1 GLN 635.A O no hydrogen 2.703 N/A ARG 459.A NH2 GLN 635.A O no hydrogen 3.026 N/A ALA 460.A N ASP 456.A O no hydrogen 2.939 N/A PHE 461.A N THR 457.A O no hydrogen 2.950 N/A GLY 462.A N ARG 459.A O no hydrogen 3.367 N/A ARG 463.A N MET 458.A O no hydrogen 3.030 N/A ARG 463.A NE ASP 466.A OD2 no hydrogen 2.612 N/A ARG 463.A NH2 ASP 466.A OD2 no hydrogen 2.902 N/A GLN 465.A N GLN 465.A OE1 no hydrogen 2.934 N/A ASP 466.A N ARG 463.A O no hydrogen 3.227 N/A MET 467.A N PRO 464.A O no hydrogen 3.481 N/A PHE 468.A N ASN 455.A OD1 no hydrogen 2.670 N/A SER 469.A OG THR 471.A OG1 no hydrogen 3.208 N/A THR 471.A OG1 SER 469.A OG no hydrogen 3.208 N/A ILE 473.A N MET 467.A O no hydrogen 2.574 N/A LEU 475.A N THR 527.A OG1 no hydrogen 3.126 N/A GLN 476.A NE2 ASP 470.A OD1 no hydrogen 2.640 N/A GLN 476.A NE2 GLN 474.A OE1 no hydrogen 3.190 N/A GLN 481.A N PRO 477.A O no hydrogen 2.907 N/A GLN 481.A NE2 GLN 476.A OE1 no hydrogen 3.206 N/A GLN 481.A NE2 LEU 525.A O no hydrogen 2.531 N/A TRP 482.A N ILE 478.A O no hydrogen 2.860 N/A VAL 483.A N PHE 479.A O no hydrogen 2.904 N/A GLN 484.A N ALA 480.A O no hydrogen 2.900 N/A GLN 484.A NE2 ILE 523.A O no hydrogen 2.899 N/A HIS 485.A N GLN 481.A O no hydrogen 2.972 N/A ILE 486.A N TRP 482.A O no hydrogen 2.886 N/A GLN 487.A N VAL 483.A O no hydrogen 2.881 N/A THR 488.A N GLN 484.A O no hydrogen 3.025 N/A MET 489.A N HIS 485.A O no hydrogen 2.930 N/A ALA 490.A N ILE 486.A O no hydrogen 2.996 N/A THR 494.A OG1 ALA 490.A O no hydrogen 3.225 N/A ALA 496.A N ALA 490.A O no hydrogen 2.810 N/A ALA 500.A N ASN 267.A O no hydrogen 2.988 N/A SER 501.A OG TYR 505.A OH no hydrogen 3.101 N/A SER 504.A OG SER 369.A O no hydrogen 2.204 N/A ALA 506.A N SER 504.A OG no hydrogen 3.197 N/A GLY 509.A N THR 488.A OG1 no hydrogen 3.273 N/A VAL 512.A N MET 520.A O no hydrogen 2.884 N/A VAL 514.A N LYS 517.A O no hydrogen 2.762 N/A LYS 517.A NZ THR 378.A O no hydrogen 3.128 N/A ALA 519.A N VAL 512.A O no hydrogen 2.687 N/A MET 520.A N VAL 512.A O no hydrogen 2.972 N/A ILE 523.A N ALA 506.A O no hydrogen 3.058 N/A GLY 526.A N ASP 529.A OD2 no hydrogen 3.434 N/A THR 527.A N ASP 470.A OD1 no hydrogen 3.357 N/A THR 527.A OG1 ASP 470.A OD1 no hydrogen 2.735 N/A PHE 530.A N GLY 526.A O no hydrogen 3.106 N/A LEU 531.A N THR 527.A O no hydrogen 2.997 N/A ILE 532.A N ALA 528.A O no hydrogen 2.951 N/A HIS 533.A N ASP 529.A O no hydrogen 2.930 N/A HIS 533.A ND1 ASP 529.A O no hydrogen 2.344 N/A HIS 534.A N PHE 530.A O no hydrogen 3.052 N/A HIS 534.A ND1 PHE 530.A O no hydrogen 2.691 N/A ILE 535.A N LEU 531.A O no hydrogen 2.988 N/A HIS 536.A N ILE 532.A O no hydrogen 2.967 N/A HIS 536.A NE2 HIS 606.A ND1 no hydrogen 2.911 N/A ALA 537.A N HIS 533.A O no hydrogen 2.936 N/A PHE 538.A N HIS 534.A O no hydrogen 2.947 N/A THR 539.A N ILE 535.A O no hydrogen 2.959 N/A THR 539.A OG1 ILE 535.A O no hydrogen 3.170 N/A THR 539.A OG1 HIS 536.A O no hydrogen 3.041 N/A THR 539.A OG1 SER 599.A OG no hydrogen 3.197 N/A ILE 540.A N HIS 536.A O no hydrogen 2.965 N/A HIS 541.A N ALA 537.A O no hydrogen 2.965 N/A HIS 541.A ND1 ALA 537.A O no hydrogen 2.538 N/A VAL 542.A N PHE 538.A O no hydrogen 2.979 N/A THR 543.A N THR 539.A O no hydrogen 3.005 N/A THR 543.A OG1 THR 539.A O no hydrogen 2.620 N/A THR 543.A OG1 TRP 595.A O no hydrogen 3.290 N/A VAL 544.A N ILE 540.A O no hydrogen 2.932 N/A LEU 545.A N HIS 541.A O no hydrogen 2.844 N/A VAL 546.A N VAL 542.A O no hydrogen 2.934 N/A LEU 547.A N THR 543.A O no hydrogen 2.993 N/A LEU 548.A N VAL 544.A O no hydrogen 2.793 N/A LYS 549.A N LEU 545.A O no hydrogen 2.941 N/A VAL 551.A N LEU 547.A O no hydrogen 3.072 N/A LEU 552.A N LEU 548.A O no hydrogen 2.851 N/A PHE 553.A N LYS 549.A O no hydrogen 2.940 N/A ALA 554.A N VAL 551.A O no hydrogen 3.458 N/A ARG 555.A NH1 MET 409.A O no hydrogen 3.050 N/A SER 557.A N ILE 560.A O no hydrogen 3.049 N/A ARG 558.A NH1 ASP 431.A OD2 no hydrogen 2.544 N/A LYS 563.A NZ PHE 553.A O no hydrogen 2.709 N/A LYS 563.A NZ VAL 583.A O no hydrogen 3.261 N/A SER 564.A OG ARG 555.A O no hydrogen 3.291 N/A GLU 565.A N ASP 562.A O no hydrogen 3.235 N/A LEU 566.A N LYS 563.A O no hydrogen 3.261 N/A ARG 569.A NH2 ALA 42.A O no hydrogen 3.457 N/A ASP 573.A N THR 580.A O no hydrogen 3.414 N/A ASP 573.A N THR 580.A OG1 no hydrogen 2.761 N/A ARG 577.A NH1 ASP 573.A O no hydrogen 3.426 N/A ARG 577.A NH1 ASP 573.A OD2 no hydrogen 2.915 N/A ARG 577.A NH2 ASP 573.A OD2 no hydrogen 3.020 N/A GLY 579.A N GLY 576.A O no hydrogen 2.899 N/A THR 580.A N GLY 574.A O no hydrogen 3.186 N/A THR 580.A OG1 GLY 574.A O no hydrogen 3.538 N/A GLN 582.A N PRO 571.A O no hydrogen 3.294 N/A SER 584.A OG PHE 570.A O no hydrogen 3.142 N/A SER 584.A OG ASP 587.A OD1 no hydrogen 2.180 N/A TRP 586.A N PHE 568.A O no hydrogen 3.216 N/A ASP 587.A N SER 584.A OG no hydrogen 3.193 N/A HIS 588.A N ALA 585.A O no hydrogen 3.062 N/A HIS 588.A ND1 SER 584.A O no hydrogen 2.621 N/A VAL 589.A N ALA 585.A O no hydrogen 3.024 N/A PHE 590.A N TRP 586.A O no hydrogen 2.890 N/A LEU 591.A N ASP 587.A O no hydrogen 2.905 N/A GLY 592.A N HIS 588.A O no hydrogen 2.863 N/A LEU 593.A N VAL 589.A O no hydrogen 2.942 N/A MET 596.A N GLY 592.A O no hydrogen 2.847 N/A TYR 597.A N LEU 593.A O no hydrogen 2.945 N/A TYR 597.A OH SER 733.A O no hydrogen 3.089 N/A ASN 598.A N PHE 594.A O no hydrogen 2.943 N/A SER 599.A N TRP 595.A O no hydrogen 2.904 N/A SER 599.A OG THR 539.A OG1 no hydrogen 3.197 N/A ILE 600.A N MET 596.A O no hydrogen 2.893 N/A ALA 601.A N TYR 597.A O no hydrogen 2.900 N/A VAL 603.A N SER 599.A O no hydrogen 3.301 N/A ILE 604.A N ILE 600.A O no hydrogen 2.953 N/A PHE 605.A N ALA 601.A O no hydrogen 2.945 N/A HIS 606.A N MET 602.A O no hydrogen 2.903 N/A HIS 606.A ND1 HIS 536.A NE2 no hydrogen 2.911 N/A PHE 607.A N VAL 603.A O no hydrogen 2.954 N/A PHE 608.A N ILE 604.A O no hydrogen 2.933 N/A TRP 609.A N PHE 605.A O no hydrogen 2.991 N/A TRP 609.A NE1 ASN 632.A OD1 no hydrogen 2.983 N/A LYS 610.A N HIS 606.A O no hydrogen 2.926 N/A LYS 610.A NZ SER 524.A O no hydrogen 2.571 N/A LYS 610.A NZ ASP 529.A OD2 no hydrogen 2.731 N/A LYS 610.A NZ ASP 614.A OD1 no hydrogen 3.323 N/A MET 611.A N PHE 607.A O no hydrogen 2.904 N/A GLN 612.A N PHE 608.A O no hydrogen 2.982 N/A SER 613.A N TRP 609.A O no hydrogen 2.922 N/A SER 613.A OG TRP 609.A O no hydrogen 3.016 N/A ASP 614.A N LYS 610.A O no hydrogen 2.916 N/A VAL 615.A N MET 611.A O no hydrogen 3.277 N/A TRP 616.A N MET 611.A O no hydrogen 2.737 N/A GLY 617.A N TYR 380.A OH no hydrogen 3.409 N/A ALA 618.A N SER 626.A O no hydrogen 3.263 N/A VAL 619.A N GLY 516.A O no hydrogen 2.520 N/A ASP 620.A N THR 624.A O no hydrogen 3.271 N/A GLY 623.A N ASP 620.A OD2 no hydrogen 2.761 N/A SER 626.A N ALA 618.A O no hydrogen 3.388 N/A SER 626.A OG ALA 618.A O no hydrogen 3.433 N/A ILE 628.A N TRP 616.A O no hydrogen 3.300 N/A THR 629.A N GLN 612.A O no hydrogen 3.180 N/A THR 629.A OG1 ASN 632.A OD1 no hydrogen 3.127 N/A SER 636.A N ASN 632.A O no hydrogen 3.061 N/A SER 636.A OG ASP 646.A OD2 no hydrogen 2.917 N/A SER 637.A N PHE 633.A O no hydrogen 3.346 N/A SER 637.A OG PHE 633.A O no hydrogen 2.602 N/A ILE 640.A N ASP 456.A OD2 no hydrogen 2.980 N/A ASN 641.A N ASP 456.A OD1 no hydrogen 3.166 N/A GLY 642.A N THR 639.A OG1 no hydrogen 3.121 N/A TRP 643.A N THR 639.A O no hydrogen 3.388 N/A TRP 643.A NE1 SER 637.A O no hydrogen 3.044 N/A LEU 644.A N ILE 640.A O no hydrogen 3.037 N/A ARG 645.A N ASN 641.A O no hydrogen 2.864 N/A ARG 645.A NE ASP 646.A OD2 no hydrogen 2.911 N/A ARG 645.A NH2 ASP 646.A OD2 no hydrogen 2.982 N/A ASP 646.A N GLY 642.A O no hydrogen 2.841 N/A LEU 648.A N TRP 643.A O no hydrogen 3.043 N/A TRP 649.A N LEU 644.A O no hydrogen 2.939 N/A ALA 650.A N ARG 645.A O no hydrogen 3.062 N/A GLN 651.A N PHE 647.A O no hydrogen 3.230 N/A GLN 651.A NE2 ASP 646.A O no hydrogen 3.611 N/A THR 653.A OG1 ALA 650.A O no hydrogen 2.489 N/A ILE 656.A N ALA 652.A O no hydrogen 3.457 N/A SER 657.A N THR 653.A O no hydrogen 3.255 N/A SER 657.A OG THR 653.A O no hydrogen 3.222 N/A SER 658.A OG VAL 655.A O no hydrogen 2.722 N/A SER 658.A OG LEU 663.A O no hydrogen 3.210 N/A SER 661.A N SER 658.A O no hydrogen 3.119 N/A SER 661.A OG SER 658.A O no hydrogen 2.721 N/A LEU 663.A N SER 661.A OG no hydrogen 3.064 N/A SER 664.A OG SER 661.A O no hydrogen 3.216 N/A TYR 666.A N LEU 663.A O no hydrogen 3.075 N/A LEU 668.A N SER 664.A O no hydrogen 2.944 N/A MET 669.A N ALA 665.A O no hydrogen 2.883 N/A PHE 670.A N TYR 666.A O no hydrogen 2.862 N/A LEU 671.A N GLY 667.A O no hydrogen 3.076 N/A ALA 672.A N LEU 668.A O no hydrogen 2.889 N/A GLY 673.A N MET 669.A O no hydrogen 2.849 N/A HIS 674.A N PHE 670.A O no hydrogen 3.122 N/A HIS 674.A ND1 PHE 670.A O no hydrogen 2.521 N/A PHE 675.A N LEU 671.A O no hydrogen 2.973 N/A VAL 676.A N ALA 672.A O no hydrogen 2.964 N/A PHE 677.A N GLY 673.A O no hydrogen 2.952 N/A ALA 678.A N HIS 674.A O no hydrogen 3.032 N/A PHE 679.A N PHE 675.A O no hydrogen 2.862 N/A SER 680.A N VAL 676.A O no hydrogen 3.156 N/A SER 680.A OG PHE 677.A O no hydrogen 2.537 N/A LEU 681.A N ALA 678.A O no hydrogen 3.319 N/A MET 682.A N PHE 679.A O no hydrogen 3.281 N/A PHE 683.A N SER 680.A O no hydrogen 3.091 N/A LEU 684.A N SER 680.A O no hydrogen 3.067 N/A PHE 685.A N LEU 681.A O no hydrogen 2.942 N/A SER 686.A OG MET 682.A O no hydrogen 2.287 N/A ARG 688.A NH2 ALA 715.A O no hydrogen 3.181 N/A TRP 691.A NE1 SER 686.A OG no hydrogen 3.123 N/A GLN 692.A N ARG 688.A O no hydrogen 3.018 N/A GLU 693.A N GLY 689.A O no hydrogen 2.948 N/A LEU 694.A N TYR 690.A O no hydrogen 2.957 N/A ILE 695.A N TRP 691.A O no hydrogen 2.939 N/A GLU 696.A N GLN 692.A O no hydrogen 3.244 N/A ILE 698.A N LEU 694.A O no hydrogen 3.125 N/A VAL 699.A N ILE 695.A O no hydrogen 2.794 N/A TRP 700.A N GLU 696.A O no hydrogen 2.934 N/A ALA 701.A N SER 697.A O no hydrogen 3.017 N/A HIS 702.A N ILE 698.A O no hydrogen 2.958 N/A HIS 702.A ND1 ILE 698.A O no hydrogen 2.792 N/A ASN 703.A N VAL 699.A O no hydrogen 2.828 N/A LYS 704.A N TRP 700.A O no hydrogen 3.021 N/A ARG 706.A N ASN 703.A O no hydrogen 3.194 N/A ILE 707.A N HIS 702.A O no hydrogen 3.059 N/A GLN 712.A N LYS 32.A O no hydrogen 2.886 N/A ARG 714.A NH2 GLN 712.A OE1 no hydrogen 2.754 N/A GLN 720.A N SER 717.A OG no hydrogen 3.334 N/A GLY 721.A N SER 717.A O no hydrogen 2.666 N/A ARG 722.A N ILE 718.A O no hydrogen 2.998 N/A ARG 722.A NH1 PRO 571.A O no hydrogen 3.230 N/A ALA 723.A N THR 719.A O no hydrogen 2.878 N/A VAL 724.A N GLN 720.A O no hydrogen 2.859 N/A GLY 725.A N GLY 721.A O no hydrogen 2.968 N/A ALA 726.A N ARG 722.A O no hydrogen 2.922 N/A ALA 727.A N ALA 723.A O no hydrogen 2.908 N/A HIS 728.A N VAL 724.A O no hydrogen 2.979 N/A HIS 728.A ND1 VAL 724.A O no hydrogen 2.746 N/A TYR 729.A N GLY 725.A O no hydrogen 2.929 N/A LEU 730.A N ALA 726.A O no hydrogen 2.973 N/A LEU 731.A N ALA 727.A O no hydrogen 2.900 N/A GLY 732.A N HIS 728.A O no hydrogen 2.950 N/A SER 733.A N TYR 729.A O no hydrogen 2.926 N/A SER 733.A OG TYR 729.A O no hydrogen 3.199 N/A ILE 734.A N LEU 730.A O no hydrogen 2.945 N/A VAL 735.A N LEU 731.A O no hydrogen 2.918 N/A THR 736.A N GLY 732.A O no hydrogen 3.006 N/A THR 736.A OG1 GLY 732.A O no hydrogen 2.759 N/A THR 737.A OG1 SER 733.A O no hydrogen 3.076 N/A TRP 738.A N ILE 734.A O no hydrogen 2.903 N/A ALA 739.A N VAL 735.A O no hydrogen 2.953 N/A PHE 740.A N THR 736.A O no hydrogen 2.959 N/A PHE 741.A N THR 737.A O no hydrogen 2.863 N/A LEU 742.A N TRP 738.A O no hydrogen 2.951 N/A ALA 743.A N ALA 739.A O no hydrogen 2.920 N/A ARG 744.A N PHE 740.A O no hydrogen 3.267 N/A ARG 744.A NH1 GLN 654.A OE1 no hydrogen 2.623 N/A MET 745.A N PHE 741.A O no hydrogen 2.969 N/A ALA 746.A N LEU 742.A O no hydrogen 3.081 N/A ALA 747.A N ARG 744.A O no hydrogen 3.397 N/A ILE 748.A N ARG 744.A O no hydrogen 3.292 N/A