Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7a4p_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ARG 692.A O no hydrogen 2.908 N/A SER 7.A N PRO 4.A O no hydrogen 3.092 N/A GLN 8.A N ASP 33.A OD2 no hydrogen 2.633 N/A ALA 11.A N SER 7.A O no hydrogen 3.100 N/A GLN 12.A N GLN 8.A O no hydrogen 3.431 N/A GLN 12.A NE2 GLN 8.A O no hydrogen 3.309 N/A ASP 13.A N LEU 10.A O no hydrogen 3.159 N/A THR 15.A N ASP 13.A OD1 no hydrogen 2.992 N/A THR 15.A OG1 ASP 13.A OD1 no hydrogen 2.386 N/A THR 16.A N LYS 694.A O no hydrogen 3.123 N/A ARG 17.A N THR 15.A OG1 no hydrogen 3.259 N/A ARG 17.A NE ASP 13.A OD2 no hydrogen 2.961 N/A ARG 17.A NH2 ASP 13.A OD2 no hydrogen 3.521 N/A ARG 18.A NH2 ASP 693.A OD1 no hydrogen 3.036 N/A ILE 19.A N THR 16.A O no hydrogen 2.937 N/A TRP 20.A N THR 16.A O no hydrogen 3.408 N/A PHE 21.A N ARG 17.A O no hydrogen 2.876 N/A ILE 23.A N ILE 19.A O no hydrogen 3.005 N/A ILE 23.A N TRP 20.A O no hydrogen 2.930 N/A ALA 24.A N TRP 20.A O no hydrogen 3.214 N/A THR 25.A N PHE 21.A O no hydrogen 3.231 N/A THR 25.A OG1 PHE 21.A O no hydrogen 2.348 N/A ALA 26.A N ILE 23.A O no hydrogen 3.244 N/A SER 31.A N ASP 28.A O no hydrogen 3.318 N/A SER 31.A OG ASP 28.A O no hydrogen 3.151 N/A SER 31.A OG ASP 28.A OD2 no hydrogen 3.371 N/A HIS 32.A N PHE 29.A O no hydrogen 3.023 N/A HIS 32.A NE2 THR 25.A O no hydrogen 2.998 N/A ASP 33.A N PHE 6.A O no hydrogen 3.005 N/A ARG 39.A N THR 36.A OG1 no hydrogen 3.209 N/A LEU 40.A N THR 36.A O no hydrogen 2.844 N/A TYR 41.A N GLU 37.A O no hydrogen 2.954 N/A GLN 42.A N GLU 38.A O no hydrogen 2.983 N/A GLN 42.A NE2 PRO 161.A O no hydrogen 3.338 N/A LYS 43.A N ARG 39.A O no hydrogen 2.893 N/A ILE 44.A N LEU 40.A O no hydrogen 2.955 N/A PHE 45.A N TYR 41.A O no hydrogen 2.948 N/A ALA 46.A N GLN 42.A O no hydrogen 3.048 N/A SER 47.A N LYS 43.A O no hydrogen 2.951 N/A SER 47.A OG LYS 43.A O no hydrogen 2.992 N/A HIS 48.A N ILE 44.A O no hydrogen 2.924 N/A PHE 49.A N PHE 45.A O no hydrogen 3.087 N/A GLY 50.A N ALA 46.A O no hydrogen 2.998 N/A GLN 51.A N SER 47.A O no hydrogen 2.917 N/A LEU 52.A N HIS 48.A O no hydrogen 2.996 N/A ALA 53.A N PHE 49.A O no hydrogen 3.013 N/A ILE 54.A N GLY 50.A O no hydrogen 2.965 N/A ILE 55.A N GLN 51.A O no hydrogen 2.951 N/A PHE 56.A N LEU 52.A O no hydrogen 2.946 N/A LEU 57.A N ALA 53.A O no hydrogen 2.931 N/A TRP 58.A N ILE 54.A O no hydrogen 2.916 N/A THR 59.A N ILE 55.A O no hydrogen 3.007 N/A SER 60.A N PHE 56.A O no hydrogen 2.915 N/A SER 60.A OG SER 137.A O no hydrogen 2.811 N/A SER 60.A OG SER 137.A OG no hydrogen 2.917 N/A GLY 61.A N LEU 57.A O no hydrogen 2.862 N/A ASN 62.A N TRP 58.A O no hydrogen 2.997 N/A LEU 63.A N THR 59.A O no hydrogen 3.000 N/A PHE 64.A N SER 60.A O no hydrogen 2.868 N/A HIS 65.A N GLY 61.A O no hydrogen 2.933 N/A VAL 66.A N ASN 62.A O no hydrogen 3.008 N/A ALA 67.A N LEU 63.A O no hydrogen 2.891 N/A TRP 68.A N PHE 64.A O no hydrogen 2.823 N/A GLN 69.A N HIS 65.A O no hydrogen 2.760 N/A GLY 70.A N VAL 66.A O no hydrogen 2.924 N/A ASN 71.A ND2 ARG 83.A O no hydrogen 3.455 N/A ASN 71.A ND2 GLY 105.A O no hydrogen 3.003 N/A TRP 75.A N ASN 71.A O no hydrogen 2.912 N/A VAL 76.A N PHE 72.A O no hydrogen 2.958 N/A GLN 77.A N GLN 74.A O no hydrogen 3.251 N/A GLN 77.A NE2 GLU 73.A O no hydrogen 3.414 N/A ASP 78.A N GLN 74.A O no hydrogen 3.490 N/A HIS 81.A N ASP 78.A O no hydrogen 3.389 N/A HIS 81.A N ASP 78.A OD1 no hydrogen 3.225 N/A ILE 85.A N ASN 71.A OD1 no hydrogen 3.369 N/A ALA 86.A N ASN 112.A O no hydrogen 2.534 N/A HIS 87.A ND1 ALA 88.A O no hydrogen 2.809 N/A ALA 88.A N GLN 69.A OE1 no hydrogen 2.385 N/A ILE 89.A N PRO 110.A O no hydrogen 2.948 N/A HIS 93.A N ASP 91.A OD1 no hydrogen 2.645 N/A HIS 93.A ND1 ASP 91.A OD1 no hydrogen 2.911 N/A HIS 93.A ND1 ASP 91.A OD2 no hydrogen 3.229 N/A PHE 94.A N ASP 91.A O no hydrogen 3.485 N/A VAL 99.A N GLY 95.A O no hydrogen 3.227 N/A GLU 100.A N GLN 96.A O no hydrogen 2.929 N/A ALA 101.A N PRO 97.A O no hydrogen 2.847 N/A PHE 102.A N ALA 98.A O no hydrogen 2.953 N/A THR 103.A OG1 VAL 99.A O no hydrogen 2.869 N/A ARG 104.A NH2 VAL 111.A O no hydrogen 2.715 N/A GLY 106.A N ARG 104.A O no hydrogen 2.454 N/A VAL 111.A N PHE 102.A O no hydrogen 2.945 N/A ASN 112.A N HIS 87.A O no hydrogen 2.902 N/A SER 114.A N PRO 84.A O no hydrogen 2.633 N/A SER 114.A OG SER 116.A OG no hydrogen 3.121 N/A SER 116.A OG SER 114.A OG no hydrogen 3.121 N/A TYR 119.A OH ILE 85.A O no hydrogen 2.239 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.542 N/A TRP 121.A N GLY 117.A O no hydrogen 3.406 N/A TRP 122.A N VAL 118.A O no hydrogen 2.914 N/A TYR 123.A N TYR 119.A O no hydrogen 2.888 N/A THR 124.A N GLN 120.A O no hydrogen 2.892 N/A THR 124.A OG1 GLN 120.A O no hydrogen 2.538 N/A ILE 125.A N TRP 121.A O no hydrogen 2.972 N/A LEU 127.A N TRP 122.A O no hydrogen 2.933 N/A ARG 128.A N GLU 132.A OE1 no hydrogen 2.933 N/A ARG 128.A NH2 ASN 243.A OD1 no hydrogen 3.360 N/A THR 129.A N GLU 132.A OE1 no hydrogen 3.062 N/A TYR 134.A N ASN 130.A O no hydrogen 2.901 N/A THR 135.A N GLN 131.A O no hydrogen 2.897 N/A THR 135.A OG1 GLN 131.A O no hydrogen 2.807 N/A GLY 136.A N GLU 132.A O no hydrogen 2.942 N/A SER 137.A N LEU 133.A O no hydrogen 2.913 N/A SER 137.A OG SER 60.A O no hydrogen 2.679 N/A SER 137.A OG SER 60.A OG no hydrogen 2.917 N/A ILE 138.A N TYR 134.A O no hydrogen 2.924 N/A PHE 139.A N THR 135.A O no hydrogen 2.942 N/A LEU 140.A N GLY 136.A O no hydrogen 2.901 N/A LEU 141.A N SER 137.A O no hydrogen 2.906 N/A VAL 142.A N ILE 138.A O no hydrogen 2.999 N/A LEU 143.A N PHE 139.A O no hydrogen 2.902 N/A ALA 144.A N LEU 140.A O no hydrogen 2.893 N/A ALA 145.A N LEU 141.A O no hydrogen 3.034 N/A LEU 146.A N VAL 142.A O no hydrogen 2.913 N/A PHE 147.A N LEU 143.A O no hydrogen 2.945 N/A LEU 148.A N ALA 144.A O no hydrogen 2.952 N/A PHE 149.A N ALA 145.A O no hydrogen 2.929 N/A ALA 150.A N LEU 146.A O no hydrogen 2.931 N/A GLY 151.A N PHE 147.A O no hydrogen 2.927 N/A TRP 152.A N LEU 148.A O no hydrogen 3.004 N/A LEU 153.A N PHE 149.A O no hydrogen 2.834 N/A HIS 154.A N ALA 150.A O no hydrogen 2.972 N/A LEU 155.A N TRP 152.A O no hydrogen 3.291 N/A GLN 156.A N LEU 153.A O no hydrogen 3.311 N/A PHE 159.A N GLN 156.A O no hydrogen 2.663 N/A GLN 160.A N GLN 156.A O no hydrogen 2.487 N/A LEU 163.A N GLU 38.A OE1 no hydrogen 2.680 N/A TRP 165.A N ALA 162.A O no hydrogen 3.050 N/A LYS 167.A N LEU 163.A O no hydrogen 3.288 N/A LYS 167.A NZ GLU 37.A OE2 no hydrogen 3.084 N/A ASN 168.A N TRP 165.A O no hydrogen 3.340 N/A SER 171.A N ASN 168.A OD1 no hydrogen 3.111 N/A LEU 173.A N ALA 169.A O no hydrogen 2.911 N/A ASN 174.A N GLU 170.A O no hydrogen 2.920 N/A ASN 174.A ND2 TYR 289.A O no hydrogen 2.973 N/A HIS 175.A N SER 171.A O no hydrogen 2.953 N/A HIS 175.A ND1 SER 171.A O no hydrogen 2.547 N/A HIS 176.A N ARG 172.A O no hydrogen 2.880 N/A LEU 177.A N LEU 173.A O no hydrogen 2.896 N/A ALA 178.A N ASN 174.A O no hydrogen 2.936 N/A GLY 179.A N HIS 175.A O no hydrogen 2.836 N/A LEU 180.A N HIS 175.A O no hydrogen 3.052 N/A PHE 181.A N HIS 176.A O no hydrogen 3.007 N/A GLY 182.A N LEU 177.A O no hydrogen 3.156 N/A VAL 183.A N ALA 178.A O no hydrogen 3.178 N/A SER 185.A N PHE 181.A O no hydrogen 3.201 N/A SER 185.A OG PHE 181.A O no hydrogen 3.192 N/A SER 185.A OG GLY 182.A O no hydrogen 3.090 N/A LEU 186.A N GLY 182.A O no hydrogen 2.908 N/A ALA 187.A N VAL 183.A O no hydrogen 2.875 N/A TRP 188.A N SER 184.A O no hydrogen 2.937 N/A THR 189.A N SER 185.A O no hydrogen 2.901 N/A THR 189.A OG1 SER 185.A O no hydrogen 2.857 N/A GLY 190.A N LEU 186.A O no hydrogen 2.950 N/A HIS 191.A N ALA 187.A O no hydrogen 2.889 N/A HIS 191.A NE2 ILE 125.A O no hydrogen 2.876 N/A LEU 192.A N TRP 188.A O no hydrogen 2.882 N/A VAL 193.A N THR 189.A O no hydrogen 2.889 N/A HIS 194.A N GLY 190.A O no hydrogen 2.915 N/A VAL 195.A N HIS 191.A O no hydrogen 2.644 N/A ALA 196.A N HIS 191.A O no hydrogen 3.279 N/A ILE 197.A N LEU 192.A O no hydrogen 2.724 N/A GLU 199.A N VAL 195.A O no hydrogen 2.787 N/A SER 200.A N ALA 196.A O no hydrogen 2.921 N/A SER 200.A N ILE 197.A O no hydrogen 3.033 N/A ARG 201.A N PRO 198.A O no hydrogen 3.099 N/A ARG 201.A NH2 ALA 251.A O no hydrogen 2.355 N/A GLY 206.A N ASN 209.A OD1 no hydrogen 2.795 N/A ASN 209.A N GLY 206.A O no hydrogen 3.227 N/A ASN 209.A ND2 HIS 204.A O no hydrogen 3.236 N/A THR 212.A OG1 ASN 209.A O no hydrogen 3.286 N/A LEU 220.A N TYR 231.A OH no hydrogen 2.992 N/A THR 221.A OG1 ALA 218.A O no hydrogen 3.382 N/A PHE 223.A N TYR 231.A OH no hydrogen 3.260 N/A PHE 224.A N LEU 220.A O no hydrogen 3.383 N/A THR 225.A N THR 221.A O no hydrogen 2.901 N/A THR 225.A OG1 THR 221.A O no hydrogen 2.185 N/A TRP 228.A NE1 PHE 223.A O no hydrogen 2.649 N/A ALA 230.A N ASN 227.A O no hydrogen 3.034 N/A TYR 231.A N TRP 228.A O no hydrogen 2.933 N/A ALA 232.A N ALA 229.A O no hydrogen 3.166 N/A SER 237.A OG GLY 247.A O no hydrogen 3.568 N/A SER 239.A N SER 237.A OG no hydrogen 3.154 N/A SER 239.A OG SER 239.A O no hydrogen 2.369 N/A HIS 240.A N SER 237.A O no hydrogen 3.063 N/A HIS 240.A ND1 GLY 247.A O no hydrogen 2.699 N/A PHE 242.A N GLN 262.A OE1 no hydrogen 2.788 N/A ASN 243.A N SER 200.A O no hydrogen 3.171 N/A THR 244.A N VAL 241.A O no hydrogen 3.292 N/A THR 244.A OG1 VAL 241.A O no hydrogen 2.861 N/A SER 248.A OG GLY 249.A O no hydrogen 3.267 N/A THR 250.A N ASN 234.A OD1 no hydrogen 2.546 N/A THR 250.A OG1 ASN 234.A OD1 no hydrogen 3.238 N/A ALA 251.A N ASN 234.A O no hydrogen 3.188 N/A ILE 252.A N TYR 231.A O no hydrogen 2.977 N/A LEU 253.A N TYR 231.A O no hydrogen 2.954 N/A THR 254.A OG1 THR 269.A OG1 no hydrogen 2.280 N/A LEU 256.A N ASP 270.A OD1 no hydrogen 2.937 N/A GLY 257.A N ASP 270.A OD2 no hydrogen 2.999 N/A HIS 260.A N SER 265.A O no hydrogen 2.498 N/A GLN 262.A N HIS 260.A ND1 no hydrogen 3.072 N/A THR 263.A N HIS 260.A ND1 no hydrogen 3.108 N/A THR 263.A OG1 SER 265.A OG no hydrogen 2.738 N/A GLN 264.A N HIS 260.A O no hydrogen 2.865 N/A SER 265.A OG THR 263.A OG1 no hydrogen 2.738 N/A SER 265.A OG LEU 266.A O no hydrogen 3.362 N/A LEU 266.A N PRO 354.A O no hydrogen 3.105 N/A THR 269.A OG1 THR 254.A OG1 no hydrogen 2.280 N/A MET 271.A N TRP 267.A O no hydrogen 3.331 N/A ALA 272.A N LEU 268.A O no hydrogen 2.937 N/A HIS 273.A N THR 269.A O no hydrogen 2.955 N/A HIS 274.A N ASP 270.A O no hydrogen 2.875 N/A HIS 275.A N MET 271.A O no hydrogen 2.941 N/A LEU 276.A N ALA 272.A O no hydrogen 2.997 N/A ALA 277.A N HIS 273.A O no hydrogen 2.991 N/A ILE 278.A N HIS 274.A O no hydrogen 2.910 N/A ALA 279.A N HIS 275.A O no hydrogen 2.860 N/A VAL 280.A N LEU 276.A O no hydrogen 3.066 N/A ILE 281.A N ALA 277.A O no hydrogen 2.982 N/A PHE 282.A N ILE 278.A O no hydrogen 2.879 N/A ILE 283.A N ALA 279.A O no hydrogen 2.964 N/A LEU 284.A N VAL 280.A O no hydrogen 3.034 N/A ALA 285.A N ILE 281.A O no hydrogen 2.903 N/A GLY 286.A N PHE 282.A O no hydrogen 2.847 N/A HIS 287.A N ILE 283.A O no hydrogen 3.114 N/A HIS 287.A N LEU 284.A O no hydrogen 3.095 N/A HIS 287.A ND1 ILE 283.A O no hydrogen 2.675 N/A TYR 289.A N ASN 174.A OD1 no hydrogen 3.117 N/A ARG 290.A N HIS 297.A O no hydrogen 2.894 N/A ILE 292.A N THR 291.A OG1 no hydrogen 2.621 N/A MET 299.A N GLU 170.A OE2 no hydrogen 2.930 N/A ILE 302.A N SER 298.A O no hydrogen 3.231 N/A LEU 303.A N MET 299.A O no hydrogen 2.934 N/A GLU 304.A N ARG 300.A O no hydrogen 2.883 N/A ALA 305.A N ILE 302.A O no hydrogen 3.129 N/A SER 310.A OG PRO 309.A O no hydrogen 2.490 N/A SER 310.A OG SER 312.A OG no hydrogen 3.240 N/A SER 312.A OG SER 310.A OG no hydrogen 3.240 N/A GLY 314.A N GLY 311.A O no hydrogen 3.400 N/A ALA 315.A N GLY 403.A O no hydrogen 2.602 N/A LYS 318.A N ALA 315.A O no hydrogen 3.273 N/A GLY 319.A N GLU 304.A OE2 no hydrogen 3.236 N/A LEU 320.A N HIS 317.A O no hydrogen 3.327 N/A TYR 321.A OH GLU 170.A OE1 no hydrogen 3.198 N/A THR 323.A N GLY 319.A O no hydrogen 3.228 N/A THR 323.A OG1 GLY 319.A O no hydrogen 2.706 N/A THR 323.A OG1 ASN 401.A OD1 no hydrogen 2.253 N/A VAL 324.A N LEU 320.A O no hydrogen 2.909 N/A ASN 325.A N TYR 321.A O no hydrogen 2.876 N/A ASN 325.A ND2 LYS 167.A O no hydrogen 3.399 N/A ASN 326.A N ASP 322.A O no hydrogen 2.898 N/A SER 327.A N THR 323.A O no hydrogen 3.296 N/A SER 327.A OG ASP 395.A OD2 no hydrogen 2.773 N/A HIS 329.A NE2 GLU 30.A OE1 no hydrogen 2.212 N/A PHE 330.A N SER 327.A OG no hydrogen 3.383 N/A LEU 332.A N LEU 328.A O no hydrogen 2.897 N/A GLY 333.A N HIS 329.A O no hydrogen 2.850 N/A LEU 334.A N PHE 330.A O no hydrogen 2.965 N/A ALA 335.A N GLN 331.A O no hydrogen 2.920 N/A LEU 336.A N LEU 332.A O no hydrogen 2.875 N/A ALA 337.A N GLY 333.A O no hydrogen 2.906 N/A SER 338.A N LEU 334.A O no hydrogen 3.001 N/A SER 338.A OG LEU 334.A O no hydrogen 3.066 N/A VAL 339.A N ALA 335.A O no hydrogen 2.895 N/A GLY 340.A N LEU 336.A O no hydrogen 2.859 N/A THR 341.A N ALA 337.A O no hydrogen 2.989 N/A THR 341.A OG1 ALA 337.A O no hydrogen 3.128 N/A ILE 342.A N SER 338.A O no hydrogen 2.926 N/A SER 343.A N VAL 339.A O no hydrogen 2.869 N/A SER 343.A OG HIS 373.A O no hydrogen 2.762 N/A SER 344.A N GLY 340.A O no hydrogen 2.992 N/A LEU 345.A N THR 341.A O no hydrogen 2.902 N/A VAL 346.A N ILE 342.A O no hydrogen 2.843 N/A ALA 347.A N SER 343.A O no hydrogen 2.977 N/A GLN 348.A N SER 344.A O no hydrogen 2.882 N/A HIS 349.A N LEU 345.A O no hydrogen 2.925 N/A MET 350.A N VAL 346.A O no hydrogen 3.021 N/A SER 352.A OG GLN 348.A O no hydrogen 3.261 N/A SER 352.A OG HIS 349.A O no hydrogen 3.202 N/A LEU 353.A N HIS 349.A O no hydrogen 2.710 N/A ALA 357.A N THR 124.A OG1 no hydrogen 2.840 N/A LEU 359.A N TYR 356.A O no hydrogen 3.190 N/A GLN 361.A NE2 GLN 264.A OE1 no hydrogen 2.573 N/A ALA 367.A N PHE 363.A O no hydrogen 3.183 N/A ALA 368.A N THR 364.A O no hydrogen 2.879 N/A LEU 369.A N THR 365.A O no hydrogen 2.877 N/A TYR 370.A N GLN 366.A O no hydrogen 2.965 N/A TYR 370.A OH GLN 348.A OE1 no hydrogen 2.220 N/A THR 371.A N ALA 367.A O no hydrogen 2.947 N/A THR 371.A OG1 ALA 367.A O no hydrogen 2.800 N/A HIS 372.A N ALA 368.A O no hydrogen 2.885 N/A HIS 373.A N LEU 369.A O no hydrogen 2.997 N/A GLN 374.A N TYR 370.A O no hydrogen 2.915 N/A GLN 374.A NE2 GLN 348.A OE1 no hydrogen 3.575 N/A TYR 375.A N THR 371.A O no hydrogen 2.955 N/A ILE 376.A N HIS 372.A O no hydrogen 2.959 N/A ALA 377.A N HIS 373.A O no hydrogen 2.922 N/A GLY 378.A N GLN 374.A O no hydrogen 2.940 N/A PHE 379.A N TYR 375.A O no hydrogen 3.002 N/A ILE 380.A N ILE 376.A O no hydrogen 2.939 N/A MET 381.A N ALA 377.A O no hydrogen 2.929 N/A CYS 382.A N GLY 378.A O no hydrogen 3.064 N/A CYS 382.A SG GLY 378.A O no hydrogen 3.894 N/A CYS 382.A SG ALA 577.A O no hydrogen 4.031 N/A GLY 383.A N PHE 379.A O no hydrogen 2.956 N/A ALA 384.A N ILE 380.A O no hydrogen 2.883 N/A PHE 385.A N MET 381.A O no hydrogen 3.076 N/A ALA 386.A N CYS 382.A O no hydrogen 2.923 N/A HIS 387.A N GLY 383.A O no hydrogen 2.938 N/A GLY 388.A N ALA 384.A O no hydrogen 2.989 N/A ALA 389.A N PHE 385.A O no hydrogen 2.988 N/A ILE 390.A N ALA 386.A O no hydrogen 2.938 N/A PHE 391.A N HIS 387.A O no hydrogen 2.878 N/A PHE 392.A N GLY 388.A O no hydrogen 3.024 N/A VAL 393.A N ALA 389.A O no hydrogen 2.958 N/A ARG 394.A N ILE 390.A O no hydrogen 2.849 N/A ARG 394.A NH2 ASP 28.A OD2 no hydrogen 3.493 N/A ASP 395.A N PHE 391.A O no hydrogen 2.838 N/A GLN 400.A N ASP 397.A OD2 no hydrogen 2.887 N/A ASN 401.A N ASP 397.A O no hydrogen 3.038 N/A ASN 404.A ND2 LYS 318.A O no hydrogen 3.298 N/A ASN 404.A ND2 ASN 401.A OD1 no hydrogen 3.062 N/A VAL 405.A N GLY 316.A O no hydrogen 3.057 N/A ALA 407.A N ASN 404.A OD1 no hydrogen 3.084 N/A ARG 408.A N ASN 404.A O no hydrogen 2.884 N/A ARG 408.A NH2 SER 312.A O no hydrogen 2.919 N/A ILE 409.A N VAL 405.A O no hydrogen 2.891 N/A LEU 410.A N LEU 406.A O no hydrogen 2.989 N/A ASP 411.A N ALA 407.A O no hydrogen 2.895 N/A ASP 411.A N ARG 408.A O no hydrogen 3.235 N/A HIS 412.A ND1 ARG 408.A O no hydrogen 2.670 N/A GLU 414.A N GLU 414.A OE1 no hydrogen 2.920 N/A ALA 415.A N HIS 412.A O no hydrogen 3.101 N/A ILE 417.A N LYS 413.A O no hydrogen 2.932 N/A SER 418.A N GLU 414.A O no hydrogen 2.865 N/A HIS 419.A N ALA 415.A O no hydrogen 2.922 N/A LEU 420.A N LEU 416.A O no hydrogen 2.948 N/A SER 421.A N ILE 417.A O no hydrogen 2.904 N/A TRP 422.A N SER 418.A O no hydrogen 2.900 N/A ALA 423.A N HIS 419.A O no hydrogen 2.940 N/A SER 424.A N LEU 420.A O no hydrogen 2.934 N/A SER 424.A OG LEU 420.A O no hydrogen 3.549 N/A SER 424.A OG SER 421.A O no hydrogen 3.195 N/A LEU 425.A N SER 421.A O no hydrogen 2.887 N/A PHE 426.A N TRP 422.A O no hydrogen 2.875 N/A LEU 427.A N ALA 423.A O no hydrogen 2.969 N/A GLY 428.A N SER 424.A O no hydrogen 2.915 N/A PHE 429.A N LEU 425.A O no hydrogen 2.898 N/A HIS 430.A N PHE 426.A O no hydrogen 2.965 N/A THR 431.A N LEU 427.A O no hydrogen 2.888 N/A THR 431.A OG1 LEU 427.A O no hydrogen 3.014 N/A LEU 432.A N GLY 428.A O no hydrogen 2.966 N/A GLY 433.A N PHE 429.A O no hydrogen 2.857 N/A LEU 434.A N HIS 430.A O no hydrogen 2.883 N/A TYR 435.A N THR 431.A O no hydrogen 2.983 N/A VAL 436.A N LEU 432.A O no hydrogen 2.860 N/A HIS 437.A N GLY 433.A O no hydrogen 2.852 N/A HIS 437.A NE2 LYS 449.A O no hydrogen 2.991 N/A ASN 438.A N LEU 434.A O no hydrogen 2.934 N/A ASN 438.A ND2 ILE 451.A O no hydrogen 3.473 N/A ASN 438.A ND2 THR 612.A O no hydrogen 2.815 N/A ASP 439.A N TYR 435.A O no hydrogen 2.897 N/A VAL 440.A N VAL 436.A O no hydrogen 2.854 N/A VAL 441.A N HIS 437.A O no hydrogen 2.961 N/A GLN 442.A N ASN 438.A O no hydrogen 2.909 N/A GLN 442.A NE2 GLN 450.A OE1 no hydrogen 2.372 N/A ALA 443.A N ASP 439.A O no hydrogen 2.919 N/A PHE 444.A N VAL 440.A O no hydrogen 3.027 N/A GLY 445.A N GLN 442.A O no hydrogen 3.069 N/A THR 446.A N VAL 441.A O no hydrogen 3.119 N/A THR 446.A OG1 VAL 441.A O no hydrogen 3.181 N/A THR 446.A OG1 THR 446.A O no hydrogen 2.470 N/A GLU 448.A N GLU 448.A OE1 no hydrogen 2.759 N/A LYS 449.A N THR 446.A O no hydrogen 3.234 N/A ILE 451.A N ASN 438.A OD1 no hydrogen 3.322 N/A VAL 456.A N GLU 454.A O no hydrogen 2.732 N/A GLN 459.A N PRO 455.A O no hydrogen 2.785 N/A GLN 459.A NE2 GLU 454.A OE1 no hydrogen 2.352 N/A GLN 459.A NE2 ILE 510.A O no hydrogen 2.841 N/A TRP 460.A N VAL 456.A O no hydrogen 2.845 N/A ILE 461.A N PHE 457.A O no hydrogen 2.960 N/A GLN 462.A N ALA 458.A O no hydrogen 2.894 N/A GLN 462.A NE2 LEU 508.A O no hydrogen 3.006 N/A ALA 463.A N GLN 459.A O no hydrogen 2.896 N/A ALA 464.A N TRP 460.A O no hydrogen 2.912 N/A HIS 465.A N GLN 462.A O no hydrogen 3.097 N/A GLY 466.A N ALA 463.A O no hydrogen 3.258 N/A LYS 467.A NZ PHE 507.A O no hydrogen 3.050 N/A THR 468.A N ASN 500.A OD1 no hydrogen 3.145 N/A TYR 470.A OH GLN 462.A OE1 no hydrogen 2.646 N/A PHE 474.A N SER 477.A OG no hydrogen 2.812 N/A LEU 476.A N ALA 464.A O no hydrogen 3.191 N/A SER 477.A OG ALA 463.A O no hydrogen 2.795 N/A SER 478.A N LEU 475.A O no hydrogen 3.446 N/A SER 478.A OG ASP 473.A OD1 no hydrogen 3.113 N/A SER 481.A N SER 478.A O no hydrogen 3.004 N/A SER 481.A OG LEU 475.A O no hydrogen 2.311 N/A SER 481.A OG SER 478.A O no hydrogen 2.978 N/A SER 481.A OG SER 484.A OG no hydrogen 2.906 N/A SER 484.A OG LEU 475.A O no hydrogen 3.009 N/A SER 484.A OG SER 478.A O no hydrogen 2.731 N/A SER 484.A OG SER 481.A OG no hydrogen 2.906 N/A LEU 485.A N SER 481.A O no hydrogen 2.818 N/A ALA 486.A N ALA 482.A O no hydrogen 2.913 N/A GLY 487.A N PRO 483.A O no hydrogen 3.233 N/A LEU 490.A N GLY 487.A O no hydrogen 3.182 N/A LEU 492.A N GLY 487.A O no hydrogen 2.868 N/A TRP 495.A N TRP 491.A O no hydrogen 3.256 N/A TRP 495.A NE1 HIS 465.A O no hydrogen 3.068 N/A LEU 496.A N LEU 492.A O no hydrogen 2.849 N/A GLN 497.A N PRO 493.A O no hydrogen 2.943 N/A GLY 498.A N GLY 494.A O no hydrogen 2.894 N/A ILE 499.A N TRP 495.A O no hydrogen 2.875 N/A ASN 500.A N LEU 496.A O no hydrogen 2.936 N/A SER 501.A N GLY 498.A O no hydrogen 3.420 N/A ALA 503.A N SER 501.A OG no hydrogen 3.292 N/A ASN 504.A ND2 GLY 498.A O no hydrogen 3.224 N/A SER 505.A OG HIS 596.A NE2 no hydrogen 2.456 N/A ILE 510.A N TYR 470.A OH no hydrogen 3.398 N/A GLY 511.A N ASP 514.A OD1 no hydrogen 3.137 N/A PHE 515.A N GLY 511.A O no hydrogen 3.256 N/A LEU 516.A N PRO 512.A O no hydrogen 2.982 N/A VAL 517.A N GLY 513.A O no hydrogen 2.967 N/A HIS 518.A N ASP 514.A O no hydrogen 2.881 N/A HIS 518.A ND1 ASP 514.A O no hydrogen 2.895 N/A HIS 519.A N PHE 515.A O no hydrogen 3.035 N/A HIS 519.A ND1 PHE 515.A O no hydrogen 2.949 N/A ALA 520.A N LEU 516.A O no hydrogen 2.979 N/A ILE 521.A N VAL 517.A O no hydrogen 2.903 N/A ALA 522.A N HIS 518.A O no hydrogen 2.896 N/A LEU 523.A N HIS 519.A O no hydrogen 2.917 N/A GLY 524.A N ALA 520.A O no hydrogen 2.963 N/A LEU 525.A N ILE 521.A O no hydrogen 2.922 N/A HIS 526.A N ALA 522.A O no hydrogen 2.950 N/A THR 527.A N LEU 523.A O no hydrogen 2.935 N/A THR 527.A OG1 LEU 523.A O no hydrogen 2.711 N/A THR 528.A N GLY 524.A O no hydrogen 2.949 N/A THR 528.A OG1 GLY 524.A O no hydrogen 2.904 N/A THR 529.A N LEU 525.A O no hydrogen 2.920 N/A THR 529.A OG1 LEU 525.A O no hydrogen 2.954 N/A LEU 530.A N HIS 526.A O no hydrogen 2.830 N/A ILE 531.A N THR 527.A O no hydrogen 2.978 N/A LEU 532.A N THR 528.A O no hydrogen 2.965 N/A VAL 533.A N THR 529.A O no hydrogen 2.795 N/A LYS 534.A N LEU 530.A O no hydrogen 2.889 N/A GLY 535.A N ILE 531.A O no hydrogen 2.953 N/A ALA 536.A N LEU 532.A O no hydrogen 2.892 N/A LEU 537.A N VAL 533.A O no hydrogen 2.886 N/A ASP 538.A N LYS 534.A O no hydrogen 2.705 N/A ARG 540.A NE PHE 392.A O no hydrogen 2.955 N/A SER 542.A N MET 545.A O no hydrogen 3.014 N/A SER 542.A OG ASP 538.A OD1 no hydrogen 2.051 N/A LYS 548.A NZ ASP 538.A O no hydrogen 3.198 N/A LYS 548.A NZ ASP 538.A OD1 no hydrogen 3.486 N/A LYS 548.A NZ SER 542.A OG no hydrogen 3.150 N/A LYS 548.A NZ ILE 568.A O no hydrogen 2.951 N/A ASP 550.A N ASP 547.A O no hydrogen 3.238 N/A PHE 551.A N LYS 548.A O no hydrogen 2.908 N/A ASP 558.A N THR 565.A OG1 no hydrogen 2.833 N/A ARG 562.A NE LEU 544.A O no hydrogen 3.182 N/A ARG 562.A NH1 ASP 558.A OD2 no hydrogen 2.670 N/A ARG 562.A NH2 LEU 544.A O no hydrogen 3.463 N/A ARG 562.A NH2 ASP 558.A OD2 no hydrogen 2.430 N/A GLY 564.A N GLY 561.A O no hydrogen 3.148 N/A THR 565.A OG1 GLY 559.A O no hydrogen 2.926 N/A SER 569.A OG PHE 555.A O no hydrogen 3.040 N/A SER 569.A OG ASP 572.A OD2 no hydrogen 2.126 N/A TRP 571.A N TYR 553.A O no hydrogen 3.404 N/A ASP 572.A N SER 569.A O no hydrogen 3.211 N/A ALA 573.A N SER 569.A O no hydrogen 3.389 N/A PHE 574.A N ALA 570.A O no hydrogen 3.008 N/A TYR 575.A N TRP 571.A O no hydrogen 2.883 N/A LEU 576.A N ASP 572.A O no hydrogen 2.886 N/A ALA 577.A N ALA 573.A O no hydrogen 2.940 N/A VAL 578.A N PHE 574.A O no hydrogen 2.966 N/A MET 581.A N ALA 577.A O no hydrogen 2.912 N/A LEU 582.A N VAL 578.A O no hydrogen 2.935 N/A ASN 583.A N PHE 579.A O no hydrogen 2.934 N/A THR 584.A N TRP 580.A O no hydrogen 2.879 N/A THR 584.A OG1 TRP 580.A O no hydrogen 2.792 N/A ILE 585.A N MET 581.A O no hydrogen 2.935 N/A GLY 586.A N LEU 582.A O no hydrogen 2.867 N/A TRP 587.A N ASN 583.A O no hydrogen 2.917 N/A VAL 588.A N THR 584.A O no hydrogen 2.948 N/A THR 589.A N ILE 585.A O no hydrogen 2.916 N/A THR 589.A OG1 ILE 585.A O no hydrogen 2.952 N/A THR 589.A OG1 GLY 586.A O no hydrogen 3.017 N/A PHE 590.A N GLY 586.A O no hydrogen 2.867 N/A TYR 591.A N TRP 587.A O no hydrogen 2.942 N/A TYR 591.A OH ASP 514.A OD2 no hydrogen 2.526 N/A TRP 592.A N VAL 588.A O no hydrogen 2.959 N/A HIS 593.A N THR 589.A O no hydrogen 2.865 N/A HIS 593.A ND1 TYR 621.A OH no hydrogen 2.437 N/A HIS 593.A NE2 THR 727.A OG1 no hydrogen 3.012 N/A TRP 594.A N PHE 590.A O no hydrogen 2.934 N/A LYS 595.A N TYR 591.A O no hydrogen 2.935 N/A LYS 595.A NZ THR 509.A O no hydrogen 2.743 N/A LYS 595.A NZ ASP 514.A OD2 no hydrogen 3.449 N/A HIS 596.A N TRP 592.A O no hydrogen 2.956 N/A HIS 596.A NE2 SER 505.A OG no hydrogen 2.456 N/A LEU 597.A N HIS 593.A O no hydrogen 2.822 N/A GLY 598.A N TRP 594.A O no hydrogen 2.961 N/A ILE 599.A N LYS 595.A O no hydrogen 2.943 N/A TRP 600.A N HIS 596.A O no hydrogen 2.870 N/A GLY 602.A N ILE 599.A O no hydrogen 3.048 N/A GLN 606.A N ASN 603.A OD1 no hydrogen 3.298 N/A ASN 608.A N VAL 604.A O no hydrogen 2.972 N/A GLU 609.A N ASN 605.A O no hydrogen 2.909 N/A SER 610.A N GLN 606.A O no hydrogen 2.919 N/A SER 610.A OG ASP 620.A OD2 no hydrogen 2.357 N/A SER 611.A N PHE 607.A O no hydrogen 2.948 N/A SER 611.A OG PHE 607.A O no hydrogen 3.251 N/A THR 612.A OG1 GLN 450.A OE1 no hydrogen 3.463 N/A THR 612.A OG1 GLU 609.A O no hydrogen 3.306 N/A GLY 616.A N TYR 613.A O no hydrogen 3.099 N/A LEU 618.A N LEU 614.A O no hydrogen 2.949 N/A ARG 619.A N MET 615.A O no hydrogen 2.863 N/A ARG 619.A NH2 TYR 613.A OH no hydrogen 2.945 N/A ARG 619.A NH2 ASP 620.A OD2 no hydrogen 3.441 N/A ASP 620.A N GLY 616.A O no hydrogen 2.841 N/A TYR 621.A OH HIS 593.A ND1 no hydrogen 2.437 N/A LEU 622.A N TRP 617.A O no hydrogen 3.261 N/A TRP 623.A N LEU 618.A O no hydrogen 3.061 N/A LEU 624.A N ARG 619.A O no hydrogen 3.063 N/A ASN 625.A N TYR 621.A O no hydrogen 3.189 N/A SER 627.A OG LEU 624.A O no hydrogen 2.990 N/A ILE 630.A N SER 626.A O no hydrogen 3.191 N/A ASN 631.A ND2 SER 627.A O no hydrogen 2.808 N/A GLY 632.A N LEU 629.A O no hydrogen 3.333 N/A ASN 634.A N GLY 637.A O no hydrogen 2.969 N/A ASN 634.A ND2 ASN 631.A OD1 no hydrogen 3.357 N/A GLY 637.A N ASN 634.A O no hydrogen 2.821 N/A ASN 639.A N GLY 632.A O no hydrogen 3.154 N/A LEU 641.A N ASN 639.A OD1 no hydrogen 2.859 N/A SER 642.A N ASN 639.A O no hydrogen 3.204 N/A ALA 645.A N LEU 641.A O no hydrogen 3.288 N/A TRP 646.A N SER 642.A O no hydrogen 2.952 N/A MET 647.A N VAL 643.A O no hydrogen 2.923 N/A PHE 648.A N TRP 644.A O no hydrogen 2.838 N/A LEU 649.A N ALA 645.A O no hydrogen 3.068 N/A PHE 650.A N TRP 646.A O no hydrogen 2.848 N/A GLY 651.A N MET 647.A O no hydrogen 2.880 N/A HIS 652.A N PHE 648.A O no hydrogen 3.084 N/A HIS 652.A ND1 PHE 648.A O no hydrogen 2.843 N/A LEU 653.A N LEU 649.A O no hydrogen 2.929 N/A ILE 654.A N PHE 650.A O no hydrogen 2.953 N/A TYR 655.A N GLY 651.A O no hydrogen 3.001 N/A ALA 656.A N HIS 652.A O no hydrogen 2.968 N/A THR 657.A N LEU 653.A O no hydrogen 2.893 N/A THR 657.A OG1 LEU 653.A O no hydrogen 2.783 N/A GLY 658.A N ILE 654.A O no hydrogen 2.925 N/A PHE 659.A N TYR 655.A O no hydrogen 3.194 N/A MET 660.A N THR 657.A O no hydrogen 2.740 N/A LEU 662.A N GLY 658.A O no hydrogen 3.019 N/A ILE 663.A N PHE 659.A O no hydrogen 2.890 N/A SER 664.A N MET 660.A O no hydrogen 3.083 N/A SER 664.A OG MET 660.A O no hydrogen 2.359 N/A TRP 665.A NE1 LEU 662.A O no hydrogen 3.260 N/A ARG 666.A NE ALA 697.A O no hydrogen 3.247 N/A TRP 669.A NE1 SER 664.A OG no hydrogen 3.018 N/A LEU 672.A N TYR 668.A O no hydrogen 3.010 N/A ILE 673.A N TRP 669.A O no hydrogen 2.842 N/A GLU 674.A N GLN 670.A O no hydrogen 2.918 N/A THR 675.A N GLU 671.A O no hydrogen 2.967 N/A THR 675.A OG1 GLU 671.A O no hydrogen 2.865 N/A LEU 676.A N LEU 672.A O no hydrogen 2.992 N/A ALA 677.A N ILE 673.A O no hydrogen 2.861 N/A TRP 678.A N GLU 674.A O no hydrogen 2.982 N/A ALA 679.A N THR 675.A O no hydrogen 2.936 N/A HIS 680.A N LEU 676.A O no hydrogen 2.914 N/A HIS 680.A NE2 VAL 689.A O no hydrogen 2.827 N/A GLU 681.A N ALA 677.A O no hydrogen 2.979 N/A ALA 686.A N THR 683.A O no hydrogen 3.299 N/A ASN 687.A ND2 GLU 681.A O no hydrogen 2.563 N/A VAL 689.A N ALA 686.A O no hydrogen 3.110 N/A LYS 694.A N PRO 14.A O no hydrogen 3.158 N/A ALA 697.A N GLN 670.A OE1 no hydrogen 3.165 N/A GLN 702.A N SER 699.A OG no hydrogen 3.108 N/A ALA 703.A N SER 699.A O no hydrogen 2.965 N/A ARG 704.A N ILE 700.A O no hydrogen 2.974 N/A ARG 704.A NH2 PRO 556.A O no hydrogen 3.460 N/A LEU 705.A N VAL 701.A O no hydrogen 2.935 N/A VAL 706.A N GLN 702.A O no hydrogen 2.865 N/A GLY 707.A N ALA 703.A O no hydrogen 2.917 N/A LEU 708.A N ARG 704.A O no hydrogen 2.954 N/A THR 709.A N LEU 705.A O no hydrogen 2.884 N/A THR 709.A OG1 LEU 705.A O no hydrogen 3.138 N/A HIS 710.A N VAL 706.A O no hydrogen 2.970 N/A PHE 711.A N GLY 707.A O no hydrogen 2.914 N/A SER 712.A N LEU 708.A O no hydrogen 2.930 N/A SER 712.A OG LEU 708.A O no hydrogen 3.093 N/A VAL 713.A N THR 709.A O no hydrogen 2.937 N/A GLY 714.A N HIS 710.A O no hydrogen 2.885 N/A TYR 715.A N PHE 711.A O no hydrogen 2.924 N/A TYR 715.A OH LEU 582.A O no hydrogen 3.156 N/A VAL 716.A N SER 712.A O no hydrogen 2.939 N/A LEU 717.A N VAL 713.A O no hydrogen 2.903 N/A THR 718.A N GLY 714.A O no hydrogen 2.920 N/A THR 718.A OG1 GLY 714.A O no hydrogen 2.597 N/A TYR 719.A N TYR 715.A O no hydrogen 3.035 N/A ALA 720.A N VAL 716.A O no hydrogen 2.887 N/A ALA 721.A N LEU 717.A O no hydrogen 2.932 N/A PHE 722.A N THR 718.A O no hydrogen 2.975 N/A LEU 723.A N TYR 719.A O no hydrogen 2.851 N/A ILE 724.A N ALA 720.A O no hydrogen 2.943 N/A ALA 725.A N ALA 721.A O no hydrogen 2.926 N/A SER 726.A N PHE 722.A O no hydrogen 2.849 N/A THR 727.A N LEU 723.A O no hydrogen 2.939 N/A THR 727.A OG1 HIS 593.A NE2 no hydrogen 3.012 N/A THR 727.A OG1 LEU 723.A O no hydrogen 2.824 N/A SER 728.A N ILE 724.A O no hydrogen 2.893 N/A SER 728.A OG ILE 724.A O no hydrogen 2.194 N/A PHE 731.A N THR 727.A O no hydrogen 3.009 N/A