Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sl5_B.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 10.B N PRO 7.B O no hydrogen 3.229 N/A GLN 11.B N ASP 36.B OD2 no hydrogen 2.713 N/A ALA 14.B N SER 10.B O no hydrogen 2.955 N/A GLN 15.B N GLN 11.B O no hydrogen 2.940 N/A ASP 16.B N LEU 13.B O no hydrogen 3.290 N/A SER 18.B OG ASP 16.B OD2 no hydrogen 2.883 N/A THR 19.B N LYS 697.B O no hydrogen 3.195 N/A THR 19.B OG1 VAL 699.B O no hydrogen 3.459 N/A ARG 20.B N SER 18.B OG no hydrogen 3.058 N/A ARG 20.B NH1 ASP 16.B OD1 no hydrogen 2.921 N/A ARG 21.B N SER 18.B O no hydrogen 3.447 N/A ILE 22.B N THR 19.B O no hydrogen 2.981 N/A TRP 23.B N THR 19.B O no hydrogen 3.344 N/A TYR 24.B N ARG 20.B O no hydrogen 3.076 N/A TYR 24.B OH SER 702.B OG no hydrogen 2.754 N/A GLY 25.B N ARG 21.B O no hydrogen 2.939 N/A LEU 26.B N TRP 23.B O no hydrogen 2.991 N/A ALA 27.B N TYR 24.B O no hydrogen 3.002 N/A THR 28.B N TYR 24.B O no hydrogen 3.212 N/A THR 28.B OG1 THR 28.B O no hydrogen 2.489 N/A SER 34.B N ASP 31.B O no hydrogen 2.964 N/A HIS 35.B NE2 THR 28.B O no hydrogen 2.770 N/A ASP 36.B N PHE 9.B O no hydrogen 3.024 N/A LEU 43.B N THR 39.B O no hydrogen 2.920 N/A TYR 44.B N GLU 40.B O no hydrogen 2.991 N/A GLN 45.B N GLU 41.B O no hydrogen 3.006 N/A GLN 45.B NE2 PRO 164.B O no hydrogen 2.853 N/A LYS 46.B N ASN 42.B O no hydrogen 2.993 N/A ILE 47.B N LEU 43.B O no hydrogen 3.065 N/A PHE 48.B N TYR 44.B O no hydrogen 3.028 N/A ALA 49.B N GLN 45.B O no hydrogen 3.099 N/A ALA 49.B N LYS 46.B O no hydrogen 3.259 N/A SER 50.B N LYS 46.B O no hydrogen 3.083 N/A SER 50.B OG LYS 46.B O no hydrogen 3.049 N/A SER 50.B OG ILE 47.B O no hydrogen 2.805 N/A HIS 51.B N ILE 47.B O no hydrogen 3.046 N/A GLY 53.B N ALA 49.B O no hydrogen 3.148 N/A GLN 54.B N SER 50.B O no hydrogen 3.010 N/A GLN 54.B NE2 GLN 54.B O no hydrogen 3.165 N/A LEU 55.B N HIS 51.B O no hydrogen 3.044 N/A ALA 56.B N PHE 52.B O no hydrogen 2.964 N/A ILE 57.B N GLY 53.B O no hydrogen 3.058 N/A ILE 58.B N GLN 54.B O no hydrogen 2.995 N/A PHE 59.B N LEU 55.B O no hydrogen 3.035 N/A LEU 60.B N ALA 56.B O no hydrogen 2.976 N/A TRP 61.B N ILE 57.B O no hydrogen 2.965 N/A THR 62.B N ILE 58.B O no hydrogen 3.090 N/A SER 63.B N PHE 59.B O no hydrogen 2.998 N/A SER 63.B OG SER 140.B O no hydrogen 2.406 N/A GLY 64.B N LEU 60.B O no hydrogen 2.979 N/A ASN 65.B N TRP 61.B O no hydrogen 3.090 N/A LEU 66.B N THR 62.B O no hydrogen 3.125 N/A PHE 67.B N SER 63.B O no hydrogen 3.009 N/A HIS 68.B N GLY 64.B O no hydrogen 2.987 N/A VAL 69.B N ASN 65.B O no hydrogen 3.095 N/A ALA 70.B N LEU 66.B O no hydrogen 3.012 N/A TRP 71.B N PHE 67.B O no hydrogen 2.953 N/A GLN 72.B N HIS 68.B O no hydrogen 2.995 N/A ASN 74.B ND2 ARG 86.B O no hydrogen 3.632 N/A ASN 74.B ND2 GLY 108.B O no hydrogen 2.718 N/A TRP 78.B N ASN 74.B O no hydrogen 2.908 N/A VAL 79.B N PHE 75.B O no hydrogen 3.005 N/A THR 80.B OG1 GLN 77.B O no hydrogen 3.050 N/A ILE 88.B N TYR 122.B OH no hydrogen 2.909 N/A ALA 89.B N ASN 115.B O no hydrogen 2.874 N/A HIS 90.B N ASN 115.B OD1 no hydrogen 3.472 N/A HIS 90.B ND1 ALA 91.B O no hydrogen 2.482 N/A ILE 92.B N PRO 113.B O no hydrogen 2.932 N/A HIS 96.B N ASP 94.B OD1 no hydrogen 3.418 N/A HIS 96.B ND1 ASP 94.B OD1 no hydrogen 3.065 N/A PHE 97.B N ASP 94.B O no hydrogen 3.090 N/A VAL 102.B N GLY 98.B O no hydrogen 2.977 N/A GLU 103.B N GLN 99.B O no hydrogen 3.300 N/A ALA 104.B N PRO 100.B O no hydrogen 2.868 N/A PHE 105.B N ALA 101.B O no hydrogen 2.879 N/A THR 106.B OG1 GLU 103.B O no hydrogen 3.443 N/A VAL 114.B N PHE 105.B O no hydrogen 3.233 N/A ASN 115.B N HIS 90.B O no hydrogen 3.492 N/A ASN 115.B ND2 HIS 90.B NE2 no hydrogen 3.402 N/A ALA 117.B N PRO 87.B O no hydrogen 3.193 N/A TYR 122.B OH ILE 88.B O no hydrogen 2.268 N/A GLN 123.B N GLN 123.B OE1 no hydrogen 2.744 N/A GLN 123.B NE2 ASP 365.B OD2 no hydrogen 2.964 N/A TRP 125.B N VAL 121.B O no hydrogen 2.929 N/A TYR 126.B N TYR 122.B O no hydrogen 2.888 N/A THR 127.B N GLN 123.B O no hydrogen 2.906 N/A THR 127.B OG1 GLN 123.B O no hydrogen 2.533 N/A ILE 128.B N TRP 124.B O no hydrogen 2.970 N/A GLY 129.B N TRP 125.B O no hydrogen 3.052 N/A LEU 130.B N TRP 125.B O no hydrogen 2.884 N/A SER 132.B OG GLU 135.B OE2 no hydrogen 2.820 N/A ASN 133.B N GLU 76.B OE2 no hydrogen 3.219 N/A GLU 135.B N SER 132.B OG no hydrogen 3.244 N/A VAL 138.B N GLN 134.B O no hydrogen 2.939 N/A SER 139.B N GLU 135.B O no hydrogen 2.945 N/A SER 140.B N LEU 136.B O no hydrogen 2.853 N/A SER 140.B OG TYR 137.B O no hydrogen 2.718 N/A VAL 141.B N TYR 137.B O no hydrogen 3.058 N/A PHE 142.B N VAL 138.B O no hydrogen 3.027 N/A LEU 143.B N SER 139.B O no hydrogen 2.987 N/A ALA 144.B N SER 140.B O no hydrogen 3.033 N/A LEU 145.B N VAL 141.B O no hydrogen 3.014 N/A VAL 146.B N PHE 142.B O no hydrogen 3.033 N/A SER 147.B N LEU 143.B O no hydrogen 3.020 N/A SER 147.B OG ALA 56.B O no hydrogen 2.877 N/A ALA 148.B N ALA 144.B O no hydrogen 3.043 N/A VAL 149.B N LEU 145.B O no hydrogen 3.133 N/A PHE 150.B N VAL 146.B O no hydrogen 3.142 N/A LEU 151.B N SER 147.B O no hydrogen 3.095 N/A PHE 152.B N ALA 148.B O no hydrogen 3.045 N/A ALA 153.B N VAL 149.B O no hydrogen 2.868 N/A GLY 154.B N PHE 150.B O no hydrogen 2.917 N/A TRP 155.B N LEU 151.B O no hydrogen 3.171 N/A LEU 156.B N PHE 152.B O no hydrogen 2.700 N/A HIS 157.B N ALA 153.B O no hydrogen 2.999 N/A HIS 157.B ND1 ALA 153.B O no hydrogen 3.198 N/A LEU 158.B N TRP 155.B O no hydrogen 2.898 N/A GLN 159.B NE2 TRP 155.B O no hydrogen 3.570 N/A PHE 162.B N GLN 159.B O no hydrogen 3.232 N/A SER 165.B OG SER 167.B OG no hydrogen 3.394 N/A SER 167.B OG SER 165.B OG no hydrogen 3.394 N/A LYS 170.B N LEU 166.B O no hydrogen 2.932 N/A LYS 170.B NZ GLU 40.B OE1 no hydrogen 2.541 N/A SER 174.B OG ASP 171.B OD2 no hydrogen 2.159 N/A ARG 175.B NH2 PHE 169.B O no hydrogen 3.248 N/A LEU 176.B N ALA 172.B O no hydrogen 2.907 N/A ASN 177.B N GLU 173.B O no hydrogen 2.976 N/A ASN 177.B ND2 TYR 292.B O no hydrogen 3.042 N/A HIS 178.B N SER 174.B O no hydrogen 2.924 N/A HIS 178.B ND1 SER 174.B O no hydrogen 2.287 N/A HIS 179.B N ARG 175.B O no hydrogen 2.856 N/A LEU 180.B N LEU 176.B O no hydrogen 2.946 N/A ALA 181.B N ASN 177.B O no hydrogen 2.954 N/A GLY 182.B N HIS 178.B O no hydrogen 2.847 N/A LEU 183.B N HIS 178.B O no hydrogen 3.328 N/A PHE 184.B N HIS 179.B O no hydrogen 2.947 N/A VAL 186.B N ALA 181.B O no hydrogen 2.856 N/A SER 187.B N GLY 182.B O no hydrogen 3.312 N/A LEU 189.B N GLY 185.B O no hydrogen 2.920 N/A ALA 190.B N VAL 186.B O no hydrogen 2.901 N/A TRP 191.B N SER 187.B O no hydrogen 2.964 N/A THR 192.B N SER 188.B O no hydrogen 2.962 N/A THR 192.B OG1 ALA 275.B O no hydrogen 2.809 N/A GLY 193.B N LEU 189.B O no hydrogen 3.021 N/A HIS 194.B N ALA 190.B O no hydrogen 2.985 N/A LEU 195.B N TRP 191.B O no hydrogen 2.933 N/A VAL 196.B N THR 192.B O no hydrogen 2.958 N/A HIS 197.B N GLY 193.B O no hydrogen 2.939 N/A VAL 198.B N HIS 194.B O no hydrogen 2.855 N/A ALA 199.B N HIS 194.B O no hydrogen 3.223 N/A ILE 200.B N LEU 195.B O no hydrogen 2.812 N/A GLU 202.B N VAL 198.B O no hydrogen 2.901 N/A SER 203.B N ALA 199.B O no hydrogen 3.221 N/A SER 203.B OG ALA 199.B O no hydrogen 2.944 N/A SER 203.B OG ILE 200.B O no hydrogen 2.561 N/A ARG 204.B N PRO 201.B O no hydrogen 3.198 N/A ARG 204.B NH1 ALA 254.B O no hydrogen 3.303 N/A ARG 204.B NH2 ALA 254.B O no hydrogen 2.387 N/A GLY 205.B N GLU 202.B O no hydrogen 3.440 N/A HIS 207.B ND1 GLU 202.B OE2 no hydrogen 2.864 N/A VAL 208.B N GLU 202.B OE2 no hydrogen 2.745 N/A GLY 209.B N ASN 212.B OD1 no hydrogen 2.809 N/A ASN 212.B N GLY 209.B O no hydrogen 3.464 N/A ASN 212.B ND2 HIS 207.B O no hydrogen 2.840 N/A SER 215.B OG ASN 212.B O no hydrogen 3.345 N/A TRP 227.B N LEU 223.B O no hydrogen 3.353 N/A SER 228.B N PRO 225.B O no hydrogen 2.931 N/A SER 228.B OG THR 224.B O no hydrogen 3.053 N/A TRP 231.B NE1 PHE 226.B O no hydrogen 2.996 N/A ALA 233.B N ASN 230.B O no hydrogen 3.132 N/A ALA 235.B N ALA 232.B O no hydrogen 3.270 N/A THR 240.B OG1 SER 242.B O no hydrogen 3.315 N/A THR 240.B OG1 GLY 250.B O no hydrogen 2.968 N/A HIS 243.B ND1 HIS 263.B NE2 no hydrogen 3.175 N/A ALA 244.B N ASP 249.B O no hydrogen 3.406 N/A PHE 245.B N GLN 265.B OE1 no hydrogen 2.941 N/A ALA 248.B N THR 247.B OG1 no hydrogen 2.599 N/A SER 251.B N ALA 248.B O no hydrogen 3.322 N/A SER 251.B OG GLY 252.B O no hydrogen 3.040 N/A THR 253.B N ASN 237.B O no hydrogen 3.204 N/A THR 253.B N ASN 237.B OD1 no hydrogen 3.210 N/A THR 253.B OG1 ASN 237.B OD1 no hydrogen 2.347 N/A ALA 254.B N ASN 237.B O no hydrogen 3.152 N/A ILE 255.B N TYR 234.B O no hydrogen 2.750 N/A LEU 256.B N TYR 234.B O no hydrogen 2.956 N/A THR 257.B N SER 272.B O no hydrogen 3.064 N/A THR 257.B OG1 SER 272.B O no hydrogen 3.001 N/A THR 257.B OG1 SER 272.B OG no hydrogen 2.404 N/A THR 257.B OG1 ASP 273.B OD1 no hydrogen 2.871 N/A LEU 259.B N ASP 273.B OD1 no hydrogen 3.257 N/A LEU 259.B N ASP 273.B OD2 no hydrogen 3.401 N/A HIS 263.B N SER 268.B O no hydrogen 2.752 N/A HIS 263.B NE2 HIS 243.B ND1 no hydrogen 3.175 N/A GLN 265.B N HIS 263.B ND1 no hydrogen 3.118 N/A THR 266.B OG1 SER 268.B OG no hydrogen 3.104 N/A GLN 267.B N HIS 263.B O no hydrogen 3.203 N/A SER 268.B N THR 266.B OG1 no hydrogen 3.377 N/A SER 268.B OG THR 266.B OG1 no hydrogen 3.104 N/A SER 268.B OG LEU 269.B O no hydrogen 3.124 N/A LEU 269.B N PRO 357.B O no hydrogen 3.233 N/A SER 272.B OG THR 257.B OG1 no hydrogen 2.404 N/A ASP 273.B N TRP 270.B O no hydrogen 3.019 N/A HIS 276.B ND1 THR 257.B O no hydrogen 2.682 N/A HIS 277.B N ASP 273.B O no hydrogen 2.888 N/A HIS 278.B N MET 274.B O no hydrogen 2.890 N/A HIS 278.B ND1 MET 274.B O no hydrogen 2.288 N/A LEU 279.B N ALA 275.B O no hydrogen 2.932 N/A ALA 280.B N HIS 276.B O no hydrogen 2.992 N/A ILE 281.B N HIS 277.B O no hydrogen 2.949 N/A ALA 282.B N HIS 278.B O no hydrogen 2.887 N/A VAL 283.B N LEU 279.B O no hydrogen 3.037 N/A LEU 284.B N ALA 280.B O no hydrogen 3.002 N/A PHE 285.B N ILE 281.B O no hydrogen 2.915 N/A ILE 286.B N ALA 282.B O no hydrogen 2.953 N/A VAL 287.B N VAL 283.B O no hydrogen 2.966 N/A ALA 288.B N LEU 284.B O no hydrogen 2.964 N/A GLY 289.B N ILE 286.B O no hydrogen 3.280 N/A ARG 293.B N HIS 300.B O no hydrogen 2.564 N/A PHE 296.B N THR 294.B O no hydrogen 2.759 N/A ILE 305.B N ARG 301.B O no hydrogen 3.033 N/A LEU 306.B N LEU 302.B O no hydrogen 2.997 N/A GLU 307.B N GLU 303.B O no hydrogen 2.905 N/A ALA 308.B N ALA 304.B O no hydrogen 2.885 N/A THR 310.B OG1 ALA 318.B O no hydrogen 3.185 N/A ALA 318.B N GLY 406.B O no hydrogen 2.996 N/A GLY 319.B N LEU 316.B O no hydrogen 3.304 N/A HIS 320.B ND1 HIS 309.B O no hydrogen 2.474 N/A LYS 321.B NZ GLU 307.B O no hydrogen 3.370 N/A LYS 321.B NZ THR 310.B OG1 no hydrogen 3.047 N/A LYS 321.B NZ ALA 318.B O no hydrogen 3.540 N/A GLY 322.B N GLU 307.B OE2 no hydrogen 3.414 N/A LEU 323.B N HIS 320.B O no hydrogen 3.364 N/A THR 326.B N GLY 322.B O no hydrogen 2.971 N/A THR 326.B OG1 GLY 322.B O no hydrogen 2.699 N/A VAL 327.B N LEU 323.B O no hydrogen 2.881 N/A ASN 328.B N PHE 324.B O no hydrogen 2.884 N/A ASN 329.B N HIS 325.B O no hydrogen 2.893 N/A ASN 329.B ND2 HIS 325.B O no hydrogen 2.801 N/A SER 330.B OG ASP 398.B OD1 no hydrogen 2.787 N/A SER 330.B OG ASP 398.B OD2 no hydrogen 2.879 N/A HIS 332.B ND1 HIS 390.B ND1 no hydrogen 3.257 N/A HIS 332.B NE2 GLU 33.B OE1 no hydrogen 2.634 N/A PHE 333.B N SER 330.B OG no hydrogen 3.233 N/A GLN 334.B NE2 VAL 327.B O no hydrogen 3.202 N/A LEU 335.B N LEU 331.B O no hydrogen 2.916 N/A GLY 336.B N HIS 332.B O no hydrogen 2.851 N/A LEU 337.B N PHE 333.B O no hydrogen 2.959 N/A ALA 338.B N GLN 334.B O no hydrogen 2.906 N/A LEU 339.B N LEU 335.B O no hydrogen 2.889 N/A ALA 340.B N GLY 336.B O no hydrogen 2.931 N/A SER 341.B N LEU 337.B O no hydrogen 2.990 N/A SER 341.B OG LEU 337.B O no hydrogen 2.774 N/A VAL 342.B N ALA 338.B O no hydrogen 2.902 N/A GLY 343.B N LEU 339.B O no hydrogen 2.857 N/A THR 344.B N ALA 340.B O no hydrogen 2.999 N/A THR 344.B OG1 ALA 340.B O no hydrogen 2.809 N/A ILE 345.B N SER 341.B O no hydrogen 2.968 N/A THR 346.B N VAL 342.B O no hydrogen 2.903 N/A THR 346.B OG1 VAL 342.B O no hydrogen 2.507 N/A SER 347.B OG GLN 377.B OE1 no hydrogen 3.257 N/A LEU 348.B N THR 344.B O no hydrogen 3.035 N/A VAL 349.B N ILE 345.B O no hydrogen 2.920 N/A ALA 350.B N THR 346.B O no hydrogen 3.044 N/A GLN 351.B N SER 347.B O no hydrogen 2.918 N/A HIS 352.B N LEU 348.B O no hydrogen 2.987 N/A MET 353.B N VAL 349.B O no hydrogen 2.992 N/A SER 355.B OG GLN 351.B O no hydrogen 3.463 N/A SER 355.B OG HIS 352.B O no hydrogen 3.267 N/A LEU 356.B N HIS 352.B O no hydrogen 2.942 N/A ALA 360.B N THR 127.B OG1 no hydrogen 2.869 N/A TYR 361.B N THR 266.B O no hydrogen 3.219 N/A PHE 366.B N GLY 735.B OXT no hydrogen 2.982 N/A THR 368.B OG1 ASP 365.B OD2 no hydrogen 2.456 N/A ALA 370.B N PHE 366.B O no hydrogen 3.477 N/A SER 371.B N THR 367.B O no hydrogen 2.933 N/A SER 371.B OG THR 118.B O no hydrogen 2.787 N/A SER 371.B OG THR 367.B O no hydrogen 2.577 N/A SER 371.B OG THR 368.B O no hydrogen 2.917 N/A LEU 372.B N THR 368.B O no hydrogen 2.858 N/A TYR 373.B N GLN 369.B O no hydrogen 2.932 N/A TYR 373.B OH GLN 351.B OE1 no hydrogen 2.414 N/A THR 374.B N ALA 370.B O no hydrogen 2.985 N/A THR 374.B OG1 ALA 370.B O no hydrogen 2.659 N/A HIS 375.B N SER 371.B O no hydrogen 2.946 N/A HIS 376.B N LEU 372.B O no hydrogen 3.008 N/A GLN 377.B N TYR 373.B O no hydrogen 2.990 N/A TYR 378.B N THR 374.B O no hydrogen 3.028 N/A ILE 379.B N HIS 375.B O no hydrogen 3.077 N/A ALA 380.B N HIS 376.B O no hydrogen 3.036 N/A GLY 381.B N GLN 377.B O no hydrogen 3.029 N/A PHE 382.B N TYR 378.B O no hydrogen 3.120 N/A ILE 383.B N ILE 379.B O no hydrogen 3.075 N/A MET 384.B N ALA 380.B O no hydrogen 2.955 N/A CYS 385.B N GLY 381.B O no hydrogen 3.083 N/A GLY 386.B N PHE 382.B O no hydrogen 3.084 N/A ALA 387.B N ILE 383.B O no hydrogen 3.076 N/A ALA 389.B N CYS 385.B O no hydrogen 3.082 N/A HIS 390.B N GLY 386.B O no hydrogen 2.970 N/A GLY 391.B N ALA 387.B O no hydrogen 3.025 N/A ALA 392.B N PHE 388.B O no hydrogen 3.047 N/A ILE 393.B N ALA 389.B O no hydrogen 3.021 N/A PHE 394.B N HIS 390.B O no hydrogen 2.888 N/A PHE 395.B N GLY 391.B O no hydrogen 3.052 N/A ILE 396.B N ALA 392.B O no hydrogen 3.076 N/A ARG 397.B N ILE 393.B O no hydrogen 2.849 N/A ARG 397.B NH1 ASP 31.B OD1 no hydrogen 2.728 N/A ARG 397.B NH1 GLU 33.B OE1 no hydrogen 3.072 N/A ARG 397.B NH2 ASP 31.B OD1 no hydrogen 3.330 N/A ARG 397.B NH2 ASP 31.B OD2 no hydrogen 2.601 N/A ASP 398.B N PHE 394.B O no hydrogen 2.988 N/A GLU 402.B N ASP 400.B OD1 no hydrogen 3.122 N/A GLN 403.B N ASP 400.B O no hydrogen 3.325 N/A GLN 403.B NE2 ASP 400.B OD2 no hydrogen 2.713 N/A VAL 408.B N GLY 319.B O no hydrogen 3.047 N/A ALA 410.B N ASN 407.B OD1 no hydrogen 2.983 N/A VAL 412.B N VAL 408.B O no hydrogen 2.906 N/A ASP 414.B N ARG 411.B O no hydrogen 3.290 N/A LYS 416.B NZ ASP 541.B OD1 no hydrogen 2.410 N/A GLU 417.B N GLU 417.B OE1 no hydrogen 2.900 N/A ILE 419.B N HIS 415.B O no hydrogen 3.019 N/A ILE 420.B N LYS 416.B O no hydrogen 2.914 N/A SER 421.B N GLU 417.B O no hydrogen 2.893 N/A HIS 422.B N ALA 418.B O no hydrogen 3.012 N/A HIS 422.B ND1 ALA 418.B O no hydrogen 2.476 N/A LEU 423.B N ILE 419.B O no hydrogen 3.064 N/A SER 424.B N ILE 420.B O no hydrogen 2.990 N/A TRP 425.B N SER 421.B O no hydrogen 3.018 N/A VAL 426.B N HIS 422.B O no hydrogen 3.085 N/A SER 427.B N LEU 423.B O no hydrogen 3.053 N/A SER 427.B OG THR 530.B OG1 no hydrogen 2.619 N/A LEU 428.B N SER 424.B O no hydrogen 3.006 N/A PHE 429.B N TRP 425.B O no hydrogen 2.988 N/A LEU 430.B N VAL 426.B O no hydrogen 3.084 N/A GLY 431.B N SER 427.B O no hydrogen 3.000 N/A PHE 432.B N LEU 428.B O no hydrogen 3.008 N/A HIS 433.B N PHE 429.B O no hydrogen 3.074 N/A THR 434.B N LEU 430.B O no hydrogen 2.937 N/A THR 434.B OG1 LEU 430.B O no hydrogen 2.513 N/A LEU 435.B N GLY 431.B O no hydrogen 3.046 N/A GLY 436.B N PHE 432.B O no hydrogen 2.950 N/A LEU 437.B N HIS 433.B O no hydrogen 2.931 N/A TYR 438.B N THR 434.B O no hydrogen 3.045 N/A VAL 439.B N LEU 435.B O no hydrogen 2.918 N/A HIS 440.B N GLY 436.B O no hydrogen 2.902 N/A ASN 441.B N LEU 437.B O no hydrogen 3.017 N/A ASN 441.B ND2 ILE 454.B O no hydrogen 3.268 N/A ASP 442.B N TYR 438.B O no hydrogen 2.957 N/A VAL 443.B N VAL 439.B O no hydrogen 2.869 N/A VAL 444.B N HIS 440.B O no hydrogen 2.965 N/A GLN 445.B N ASN 441.B O no hydrogen 2.913 N/A ALA 446.B N ASP 442.B O no hydrogen 2.880 N/A PHE 447.B N VAL 443.B O no hydrogen 2.996 N/A PHE 447.B N VAL 444.B O no hydrogen 3.360 N/A THR 449.B N VAL 444.B O no hydrogen 3.403 N/A THR 449.B OG1 VAL 444.B O no hydrogen 3.048 N/A THR 449.B OG1 THR 449.B O no hydrogen 2.679 N/A GLU 451.B N GLU 451.B OE1 no hydrogen 2.360 N/A GLN 453.B N PRO 450.B O no hydrogen 3.416 N/A GLN 453.B NE2 ASN 441.B O no hydrogen 3.614 N/A GLN 462.B N PRO 458.B O no hydrogen 3.131 N/A GLN 462.B NE2 GLU 457.B OE2 no hydrogen 2.570 N/A GLN 462.B NE2 ILE 513.B O no hydrogen 3.570 N/A ILE 464.B N PHE 460.B O no hydrogen 2.989 N/A GLN 465.B N ALA 461.B O no hydrogen 2.974 N/A GLN 465.B NE2 LEU 511.B O no hydrogen 2.897 N/A ALA 466.B N GLN 462.B O no hydrogen 2.895 N/A ALA 467.B N TRP 463.B O no hydrogen 2.862 N/A GLN 468.B N GLN 465.B O no hydrogen 3.402 N/A LYS 470.B N GLN 465.B O no hydrogen 3.015 N/A TYR 473.B OH GLN 465.B OE1 no hydrogen 2.557 N/A SER 481.B OG SER 484.B OG no hydrogen 2.738 N/A SER 484.B N SER 481.B OG no hydrogen 3.282 N/A SER 484.B OG SER 481.B OG no hydrogen 2.738 N/A TYR 487.B N SER 484.B O no hydrogen 3.141 N/A SER 488.B N SER 484.B O no hydrogen 3.165 N/A SER 488.B OG SER 484.B O no hydrogen 3.144 N/A SER 488.B OG PRO 485.B O no hydrogen 3.058 N/A ALA 489.B N PRO 485.B O no hydrogen 2.988 N/A GLN 491.B N SER 488.B O no hydrogen 3.346 N/A LEU 493.B N GLY 490.B O no hydrogen 3.010 N/A TRP 494.B N GLY 490.B O no hydrogen 3.249 N/A LEU 495.B N GLY 490.B O no hydrogen 3.050 N/A TRP 498.B N TRP 494.B O no hydrogen 3.029 N/A TRP 498.B NE1 GLN 468.B O no hydrogen 3.234 N/A LEU 499.B N LEU 495.B O no hydrogen 2.866 N/A GLU 500.B N PRO 496.B O no hydrogen 2.927 N/A ALA 501.B N GLY 497.B O no hydrogen 3.002 N/A ILE 502.B N TRP 498.B O no hydrogen 2.955 N/A ASN 503.B N LEU 499.B O no hydrogen 2.948 N/A ASN 507.B ND2 ALA 501.B O no hydrogen 2.969 N/A ASN 507.B ND2 ASN 504.B OD1 no hydrogen 3.147 N/A SER 508.B OG HIS 599.B NE2 no hydrogen 2.887 N/A LEU 509.B N ASN 507.B OD1 no hydrogen 2.936 N/A ILE 513.B N TYR 473.B OH no hydrogen 3.178 N/A ASP 517.B N GLY 514.B O no hydrogen 3.229 N/A HIS 521.B N ASP 517.B O no hydrogen 2.886 N/A HIS 521.B ND1 ASP 517.B O no hydrogen 2.840 N/A HIS 522.B N PHE 518.B O no hydrogen 3.013 N/A HIS 522.B ND1 PHE 518.B O no hydrogen 2.668 N/A ALA 523.B N LEU 519.B O no hydrogen 2.917 N/A ILE 524.B N VAL 520.B O no hydrogen 2.930 N/A ALA 525.B N HIS 521.B O no hydrogen 2.999 N/A LEU 526.B N HIS 522.B O no hydrogen 2.948 N/A GLY 527.B N ALA 523.B O no hydrogen 3.016 N/A LEU 528.B N ILE 524.B O no hydrogen 3.008 N/A HIS 529.B N ALA 525.B O no hydrogen 3.013 N/A HIS 529.B ND1 ALA 525.B O no hydrogen 2.413 N/A THR 530.B N LEU 526.B O no hydrogen 2.994 N/A THR 530.B OG1 SER 427.B OG no hydrogen 2.619 N/A THR 530.B OG1 LEU 526.B O no hydrogen 2.670 N/A THR 531.B N GLY 527.B O no hydrogen 3.039 N/A THR 531.B OG1 GLY 527.B O no hydrogen 2.958 N/A THR 532.B N LEU 528.B O no hydrogen 2.982 N/A THR 532.B OG1 LEU 528.B O no hydrogen 2.483 N/A LEU 533.B N HIS 529.B O no hydrogen 2.916 N/A ILE 534.B N THR 530.B O no hydrogen 3.027 N/A LEU 535.B N THR 531.B O no hydrogen 3.009 N/A VAL 536.B N THR 532.B O no hydrogen 2.829 N/A LYS 537.B N LEU 533.B O no hydrogen 2.897 N/A GLY 538.B N ILE 534.B O no hydrogen 2.970 N/A ALA 539.B N LEU 535.B O no hydrogen 2.952 N/A LEU 540.B N VAL 536.B O no hydrogen 2.873 N/A ASP 541.B N LYS 537.B O no hydrogen 2.956 N/A ARG 543.B NH1 PHE 395.B O no hydrogen 3.480 N/A ARG 543.B NH1 TYR 399.B O no hydrogen 3.219 N/A SER 545.B N MET 548.B O no hydrogen 2.924 N/A LEU 547.B N SER 545.B OG no hydrogen 3.282 N/A MET 548.B N SER 545.B OG no hydrogen 3.174 N/A ASP 550.B N ASP 550.B OD1 no hydrogen 2.674 N/A LYS 551.B NZ ASP 541.B O no hydrogen 3.056 N/A LYS 551.B NZ ILE 571.B O no hydrogen 2.848 N/A ASP 553.B N ASP 550.B O no hydrogen 2.962 N/A PHE 554.B N LYS 551.B O no hydrogen 2.976 N/A SER 557.B OG SER 557.B O no hydrogen 2.300 N/A ASP 561.B N THR 568.B OG1 no hydrogen 2.610 N/A ARG 565.B NE LEU 547.B O no hydrogen 3.357 N/A ARG 565.B NH2 LEU 547.B O no hydrogen 3.460 N/A ARG 565.B NH2 ASP 561.B OD2 no hydrogen 2.977 N/A GLY 567.B N GLY 564.B O no hydrogen 3.077 N/A THR 568.B N GLY 562.B O no hydrogen 3.394 N/A THR 568.B OG1 GLY 562.B O no hydrogen 3.231 N/A SER 572.B N ASP 575.B OD1 no hydrogen 3.286 N/A SER 572.B OG PHE 558.B O no hydrogen 3.225 N/A SER 572.B OG ASP 575.B OD1 no hydrogen 2.819 N/A TYR 574.B N TYR 556.B O no hydrogen 3.303 N/A ALA 576.B N SER 572.B O no hydrogen 3.044 N/A PHE 577.B N ALA 573.B O no hydrogen 2.972 N/A TYR 578.B N TYR 574.B O no hydrogen 2.877 N/A LEU 579.B N ASP 575.B O no hydrogen 2.947 N/A ALA 580.B N ALA 576.B O no hydrogen 3.008 N/A VAL 581.B N PHE 577.B O no hydrogen 3.012 N/A MET 584.B N ALA 580.B O no hydrogen 2.980 N/A LEU 585.B N VAL 581.B O no hydrogen 2.971 N/A ASN 586.B N PHE 582.B O no hydrogen 2.961 N/A THR 587.B N TRP 583.B O no hydrogen 2.961 N/A THR 587.B OG1 TRP 583.B O no hydrogen 2.704 N/A ILE 588.B N MET 584.B O no hydrogen 2.978 N/A GLY 589.B N LEU 585.B O no hydrogen 2.918 N/A TRP 590.B N ASN 586.B O no hydrogen 2.979 N/A VAL 591.B N THR 587.B O no hydrogen 3.036 N/A THR 592.B N ILE 588.B O no hydrogen 2.960 N/A THR 592.B OG1 ILE 588.B O no hydrogen 2.638 N/A PHE 593.B N GLY 589.B O no hydrogen 2.951 N/A TYR 594.B N TRP 590.B O no hydrogen 3.066 N/A TRP 595.B N VAL 591.B O no hydrogen 3.037 N/A HIS 596.B N THR 592.B O no hydrogen 2.917 N/A HIS 596.B ND1 TYR 624.B OH no hydrogen 2.629 N/A TRP 597.B N PHE 593.B O no hydrogen 2.959 N/A LYS 598.B N TYR 594.B O no hydrogen 3.006 N/A LYS 598.B NZ THR 512.B O no hydrogen 3.556 N/A HIS 599.B N TRP 595.B O no hydrogen 2.973 N/A HIS 599.B ND1 TRP 595.B O no hydrogen 3.211 N/A HIS 599.B NE2 SER 508.B OG no hydrogen 2.887 N/A LEU 600.B N HIS 596.B O no hydrogen 2.782 N/A THR 601.B N TRP 597.B O no hydrogen 2.959 N/A THR 601.B OG1 ASN 606.B O no hydrogen 2.285 N/A LEU 602.B N LYS 598.B O no hydrogen 3.009 N/A LEU 602.B N HIS 599.B O no hydrogen 3.187 N/A TRP 603.B N HIS 599.B O no hydrogen 2.882 N/A GLN 604.B NE2 GLN 609.B OE1 no hydrogen 3.283 N/A GLY 605.B N LEU 602.B O no hydrogen 3.350 N/A ASN 606.B N THR 601.B O no hydrogen 3.168 N/A ASN 606.B ND2 GLN 609.B OE1 no hydrogen 3.540 N/A GLN 609.B N ASN 606.B O no hydrogen 2.982 N/A SER 613.B OG SER 613.B O no hydrogen 2.409 N/A SER 613.B OG ASP 623.B OD2 no hydrogen 2.331 N/A SER 614.B OG PHE 610.B O no hydrogen 2.871 N/A TRP 620.B N TYR 616.B O no hydrogen 3.069 N/A TRP 620.B NE1 SER 614.B O no hydrogen 2.759 N/A LEU 621.B N LEU 617.B O no hydrogen 2.937 N/A ARG 622.B N MET 618.B O no hydrogen 2.876 N/A ARG 622.B NE ASP 623.B OD1 no hydrogen 3.395 N/A ASP 623.B N GLY 619.B O no hydrogen 2.911 N/A TYR 624.B N TRP 620.B O no hydrogen 2.966 N/A TYR 624.B OH HIS 596.B ND1 no hydrogen 2.629 N/A LEU 625.B N TRP 620.B O no hydrogen 3.438 N/A TRP 626.B N LEU 621.B O no hydrogen 3.059 N/A LEU 627.B N ARG 622.B O no hydrogen 2.947 N/A ASN 628.B ND2 TYR 624.B O no hydrogen 2.864 N/A SER 629.B OG SER 629.B O no hydrogen 2.357 N/A SER 630.B OG LEU 627.B O no hydrogen 3.079 N/A ASN 634.B ND2 SER 630.B O no hydrogen 2.589 N/A GLY 635.B N LEU 632.B O no hydrogen 3.344 N/A ASN 637.B N GLY 640.B O no hydrogen 3.207 N/A GLY 640.B N ASN 637.B O no hydrogen 3.230 N/A ASN 642.B N GLY 635.B O no hydrogen 3.185 N/A ASN 642.B ND2 ASN 634.B O no hydrogen 3.325 N/A LEU 644.B N ASN 642.B OD1 no hydrogen 2.893 N/A SER 645.B N ASN 642.B O no hydrogen 3.156 N/A ALA 648.B N LEU 644.B O no hydrogen 2.840 N/A TRP 649.B N SER 645.B O no hydrogen 2.747 N/A THR 650.B N VAL 646.B O no hydrogen 2.938 N/A PHE 651.B N TRP 647.B O no hydrogen 2.786 N/A LEU 652.B N ALA 648.B O no hydrogen 3.354 N/A LEU 652.B N TRP 649.B O no hydrogen 3.092 N/A PHE 653.B N TRP 649.B O no hydrogen 2.923 N/A GLY 654.B N THR 650.B O no hydrogen 2.988 N/A HIS 655.B ND1 PHE 651.B O no hydrogen 2.704 N/A LEU 656.B N LEU 652.B O no hydrogen 3.028 N/A VAL 657.B N PHE 653.B O no hydrogen 3.059 N/A TYR 658.B N GLY 654.B O no hydrogen 3.016 N/A ALA 659.B N HIS 655.B O no hydrogen 3.014 N/A THR 660.B N LEU 656.B O no hydrogen 3.015 N/A THR 660.B OG1 LEU 656.B O no hydrogen 3.205 N/A THR 660.B OG1 VAL 657.B O no hydrogen 2.554 N/A THR 660.B OG1 HIS 713.B ND1 no hydrogen 2.840 N/A GLY 661.B N VAL 657.B O no hydrogen 3.060 N/A PHE 662.B N TYR 658.B O no hydrogen 3.153 N/A MET 663.B N THR 660.B O no hydrogen 3.302 N/A LEU 665.B N GLY 661.B O no hydrogen 3.084 N/A ILE 666.B N PHE 662.B O no hydrogen 2.915 N/A SER 667.B N MET 663.B O no hydrogen 3.004 N/A SER 667.B OG MET 663.B O no hydrogen 2.546 N/A ARG 669.B NE LEU 701.B O no hydrogen 3.068 N/A ARG 669.B NH2 ALA 700.B O no hydrogen 3.338 N/A TRP 672.B NE1 SER 667.B OG no hydrogen 3.082 N/A GLN 673.B N ARG 669.B O no hydrogen 2.906 N/A GLU 674.B N GLY 670.B O no hydrogen 3.234 N/A LEU 675.B N TYR 671.B O no hydrogen 3.238 N/A ILE 676.B N TRP 672.B O no hydrogen 2.969 N/A GLU 677.B N GLN 673.B O no hydrogen 3.093 N/A THR 678.B N GLU 674.B O no hydrogen 3.138 N/A THR 678.B OG1 GLU 674.B O no hydrogen 3.520 N/A THR 678.B OG1 LEU 675.B O no hydrogen 2.446 N/A LEU 679.B N LEU 675.B O no hydrogen 3.126 N/A VAL 680.B N ILE 676.B O no hydrogen 2.999 N/A TRP 681.B N GLU 677.B O no hydrogen 3.165 N/A ALA 682.B N THR 678.B O no hydrogen 3.084 N/A HIS 683.B N LEU 679.B O no hydrogen 3.014 N/A GLU 684.B N VAL 680.B O no hydrogen 3.029 N/A LYS 685.B N TRP 681.B O no hydrogen 3.039 N/A LYS 697.B N PRO 17.B O no hydrogen 3.412 N/A ALA 700.B N GLN 673.B OE1 no hydrogen 3.361 N/A SER 702.B N GLN 705.B OE1 no hydrogen 3.421 N/A SER 702.B OG TYR 24.B OH no hydrogen 2.754 N/A GLN 705.B N SER 702.B OG no hydrogen 3.306 N/A ALA 706.B N SER 702.B O no hydrogen 2.849 N/A ARG 707.B N ILE 703.B O no hydrogen 3.096 N/A ARG 707.B NH1 PRO 559.B O no hydrogen 3.368 N/A ARG 707.B NH2 PRO 559.B O no hydrogen 3.513 N/A LEU 708.B N VAL 704.B O no hydrogen 2.988 N/A VAL 709.B N GLN 705.B O no hydrogen 2.798 N/A GLY 710.B N ALA 706.B O no hydrogen 2.999 N/A LEU 711.B N ARG 707.B O no hydrogen 2.945 N/A ALA 712.B N LEU 708.B O no hydrogen 2.931 N/A HIS 713.B N VAL 709.B O no hydrogen 2.897 N/A HIS 713.B ND1 THR 660.B OG1 no hydrogen 2.840 N/A PHE 714.B N GLY 710.B O no hydrogen 2.838 N/A SER 715.B N LEU 711.B O no hydrogen 2.763 N/A SER 715.B OG LEU 711.B O no hydrogen 2.693 N/A VAL 716.B N ALA 712.B O no hydrogen 2.902 N/A GLY 717.B N HIS 713.B O no hydrogen 3.082 N/A TYR 718.B N PHE 714.B O no hydrogen 2.998 N/A ILE 719.B N SER 715.B O no hydrogen 2.973 N/A PHE 720.B N VAL 716.B O no hydrogen 2.945 N/A THR 721.B N GLY 717.B O no hydrogen 3.034 N/A THR 721.B OG1 GLY 717.B O no hydrogen 2.480 N/A TYR 722.B OH TYR 624.B OH no hydrogen 3.209 N/A ALA 723.B N ILE 719.B O no hydrogen 2.966 N/A ALA 724.B N PHE 720.B O no hydrogen 3.025 N/A PHE 725.B N THR 721.B O no hydrogen 3.045 N/A LEU 726.B N TYR 722.B O no hydrogen 2.870 N/A ILE 727.B N ALA 723.B O no hydrogen 3.027 N/A ALA 728.B N ALA 724.B O no hydrogen 2.934 N/A SER 729.B N PHE 725.B O no hydrogen 2.844 N/A SER 729.B OG PHE 725.B O no hydrogen 3.186 N/A SER 729.B OG LEU 726.B O no hydrogen 3.519 N/A THR 730.B N LEU 726.B O no hydrogen 3.001 N/A THR 730.B OG1 HIS 596.B NE2 no hydrogen 3.274 N/A THR 730.B OG1 LEU 726.B O no hydrogen 2.727 N/A ALA 731.B N ILE 727.B O no hydrogen 2.761 N/A GLY 732.B N ALA 728.B O no hydrogen 2.644 N/A ARG 733.B NH1 GLN 604.B OE1 no hydrogen 3.457 N/A