Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8szh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE PRO 3.A O no hydrogen 3.162 N/A ARG 6.A NH2 TYR 1.A O no hydrogen 3.350 N/A ARG 6.A NH2 PRO 3.A O no hydrogen 2.371 N/A ALA 7.A N ILE 78.A O no hydrogen 3.246 N/A GLN 8.A N HIS 320.A O no hydrogen 3.150 N/A LYS 9.A N TYR 76.A O no hydrogen 3.205 N/A ASP 12.A N THR 73.A O no hydrogen 3.057 N/A ILE 13.A N THR 73.A O no hydrogen 3.280 N/A LEU 15.A N GLY 75.A O no hydrogen 3.106 N/A GLY 16.A N ALA 116.A O no hydrogen 3.047 N/A GLY 17.A N ARG 77.A O no hydrogen 3.173 N/A PHE 19.A N PHE 79.A O no hydrogen 3.403 N/A ILE 21.A N PHE 19.A O no hydrogen 3.128 N/A ILE 21.A N ASP 80.A OD1 no hydrogen 2.885 N/A HIS 22.A ND1 ASP 80.A OD2 no hydrogen 3.108 N/A HIS 22.A NE2 GLU 326.A OE2 no hydrogen 3.110 N/A PHE 23.A N ARG 43.A O no hydrogen 2.720 N/A ALA 26.A N GLU 40.A O no hydrogen 2.731 N/A LYS 28.A N ALA 26.A O no hydrogen 2.941 N/A ILE 42.A N GLY 24.A O no hydrogen 3.137 N/A ARG 43.A NH1 GLU 253.A OE1 no hydrogen 3.319 N/A ARG 43.A NH2 GLU 253.A OE1 no hydrogen 2.909 N/A ASN 45.A N ILE 21.A O no hydrogen 2.894 N/A ASN 45.A ND2 PRO 20.A O no hydrogen 3.076 N/A ARG 50.A N PHE 46.A O no hydrogen 3.397 N/A TRP 51.A N ARG 47.A O no hydrogen 3.239 N/A LEU 52.A N GLY 48.A O no hydrogen 3.412 N/A GLN 53.A N PHE 49.A O no hydrogen 3.193 N/A GLN 53.A NE2 TYR 356.A OH no hydrogen 3.559 N/A ALA 54.A N ARG 50.A O no hydrogen 3.300 N/A ALA 54.A N TRP 51.A O no hydrogen 3.288 N/A ILE 56.A N LEU 52.A O no hydrogen 3.420 N/A PHE 57.A N GLN 53.A O no hydrogen 2.890 N/A ALA 58.A N ALA 54.A O no hydrogen 2.908 N/A ILE 59.A N MET 55.A O no hydrogen 2.943 N/A GLU 60.A N ILE 56.A O no hydrogen 2.914 N/A GLU 61.A N PHE 57.A O no hydrogen 2.886 N/A ILE 62.A N ALA 58.A O no hydrogen 2.931 N/A ASN 63.A N ILE 59.A O no hydrogen 2.925 N/A ASN 63.A ND2 LEU 74.A O no hydrogen 3.157 N/A SER 64.A OG GLU 60.A O no hydrogen 3.446 N/A SER 65.A N ILE 62.A O no hydrogen 3.163 N/A LEU 68.A N SER 65.A O no hydrogen 3.440 N/A LEU 69.A N GLN 380.A OE1 no hydrogen 2.803 N/A LEU 74.A N ASN 63.A OD1 no hydrogen 3.082 N/A GLY 75.A N ILE 13.A O no hydrogen 2.866 N/A ARG 77.A N LEU 15.A O no hydrogen 2.852 N/A ILE 78.A N ALA 7.A O no hydrogen 2.967 N/A PHE 79.A N GLY 17.A O no hydrogen 3.148 N/A THR 81.A N PHE 19.A O no hydrogen 3.350 N/A CYS 82.A N ASP 80.A OD1 no hydrogen 3.190 N/A CYS 82.A SG HIS 22.A ND1 no hydrogen 4.001 N/A CYS 82.A SG ASP 80.A OD2 no hydrogen 3.202 N/A THR 84.A N THR 81.A O no hydrogen 3.184 N/A THR 84.A OG1 CYS 82.A O no hydrogen 2.546 N/A LYS 87.A NZ VAL 39.A O no hydrogen 3.210 N/A LEU 89.A N VAL 85.A O no hydrogen 2.879 N/A GLU 90.A N SER 86.A O no hydrogen 2.934 N/A ALA 91.A N LYS 87.A O no hydrogen 2.968 N/A THR 92.A N ALA 88.A O no hydrogen 2.851 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.488 N/A LEU 93.A N LEU 89.A O no hydrogen 2.896 N/A SER 94.A N GLU 90.A O no hydrogen 2.966 N/A SER 94.A OG TYR 1.A O no hydrogen 3.313 N/A PHE 95.A N ALA 91.A O no hydrogen 2.919 N/A VAL 96.A N THR 92.A O no hydrogen 3.017 N/A LYS 100.A N VAL 96.A O no hydrogen 2.975 N/A LYS 100.A NZ LEU 93.A O no hydrogen 3.267 N/A ILE 101.A N ALA 97.A O no hydrogen 2.919 N/A SER 103.A N ASN 99.A O no hydrogen 2.919 N/A SER 103.A OG ASN 99.A O no hydrogen 2.640 N/A LEU 104.A N LYS 100.A O no hydrogen 2.911 N/A ASN 105.A N ASP 102.A O no hydrogen 3.338 N/A LEU 106.A N ILE 101.A O no hydrogen 3.100 N/A VAL 117.A N PRO 139.A O no hydrogen 3.253 N/A VAL 118.A N GLY 16.A O no hydrogen 2.784 N/A GLY 119.A N VAL 141.A O no hydrogen 2.436 N/A THR 121.A OG1 TYR 143.A OH no hydrogen 3.107 N/A SER 126.A N GLY 122.A O no hydrogen 3.038 N/A SER 126.A OG GLY 122.A O no hydrogen 3.149 N/A SER 126.A OG SER 145.A OG no hydrogen 2.704 N/A THR 127.A N SER 123.A O no hydrogen 2.890 N/A THR 127.A OG1 SER 123.A O no hydrogen 2.983 N/A ALA 128.A N GLY 124.A O no hydrogen 2.950 N/A VAL 129.A N VAL 125.A O no hydrogen 2.919 N/A ALA 130.A N SER 126.A O no hydrogen 2.859 N/A ASN 131.A N THR 127.A O no hydrogen 2.959 N/A LEU 133.A N VAL 129.A O no hydrogen 2.910 N/A GLY 134.A N ALA 130.A O no hydrogen 2.907 N/A LEU 135.A N LEU 132.A O no hydrogen 3.418 N/A ILE 138.A N LEU 133.A O no hydrogen 3.266 N/A GLN 140.A N SER 158.A O no hydrogen 3.079 N/A VAL 141.A N VAL 117.A O no hydrogen 2.988 N/A SER 142.A N LEU 160.A O no hydrogen 2.839 N/A SER 142.A OG ALA 120.A O no hydrogen 2.925 N/A TYR 143.A OH LEU 18.A O no hydrogen 3.192 N/A TYR 143.A OH THR 121.A OG1 no hydrogen 3.107 N/A SER 145.A N SER 142.A OG no hydrogen 3.410 N/A SER 145.A OG THR 121.A O no hydrogen 3.185 N/A SER 145.A OG GLY 122.A O no hydrogen 2.951 N/A SER 145.A OG SER 126.A OG no hydrogen 2.704 N/A SER 146.A OG ASP 166.A OD2 no hydrogen 3.343 N/A SER 147.A OG ASP 193.A O no hydrogen 2.763 N/A LEU 150.A N SER 147.A O no hydrogen 3.453 N/A SER 151.A N ARG 148.A O no hydrogen 3.420 N/A SER 151.A OG ASP 432.A OD2 no hydrogen 3.117 N/A LYS 153.A NZ PHE 156.A O no hydrogen 3.420 N/A LYS 153.A NZ PHE 159.A O no hydrogen 2.946 N/A ASN 154.A N ASN 152.A OD1 no hydrogen 3.322 N/A ASN 154.A ND2 ASN 152.A OD1 no hydrogen 2.878 N/A PHE 156.A N ASN 152.A O no hydrogen 3.198 N/A SER 158.A OG ILE 138.A O no hydrogen 2.907 N/A LEU 160.A N GLN 140.A O no hydrogen 2.833 N/A ARG 161.A N GLY 431.A O no hydrogen 3.131 N/A ARG 161.A NE ASP 432.A OD1 no hydrogen 2.669 N/A ARG 161.A NH1 SER 145.A O no hydrogen 3.229 N/A ARG 161.A NH1 SER 147.A O no hydrogen 2.801 N/A ARG 161.A NH2 SER 147.A O no hydrogen 2.967 N/A ARG 161.A NH2 ASP 432.A OD2 no hydrogen 3.510 N/A THR 162.A N SER 142.A O no hydrogen 2.938 N/A THR 162.A OG1 THR 162.A O no hydrogen 2.456 N/A THR 171.A N GLU 167.A O no hydrogen 3.006 N/A THR 171.A OG1 GLU 167.A O no hydrogen 2.851 N/A ALA 172.A N HIS 168.A O no hydrogen 2.835 N/A MET 173.A N GLN 169.A O no hydrogen 2.900 N/A ALA 174.A N ALA 170.A O no hydrogen 3.005 N/A ASP 175.A N THR 171.A O no hydrogen 2.889 N/A ILE 176.A N ALA 172.A O no hydrogen 2.869 N/A ILE 177.A N MET 173.A O no hydrogen 2.974 N/A GLU 178.A N ALA 174.A O no hydrogen 2.928 N/A TYR 179.A N ASP 175.A O no hydrogen 2.829 N/A PHE 180.A N ILE 176.A O no hydrogen 2.976 N/A ARG 181.A N GLU 178.A O no hydrogen 3.387 N/A TRP 182.A N ILE 177.A O no hydrogen 3.355 N/A TRP 182.A NE1 PRO 486.A O no hydrogen 3.319 N/A VAL 185.A N CYS 212.A O no hydrogen 3.333 N/A GLY 186.A N VAL 242.A O no hydrogen 3.009 N/A THR 187.A N PHE 215.A O no hydrogen 3.009 N/A THR 187.A OG1 PHE 215.A O no hydrogen 2.883 N/A ILE 188.A N VAL 244.A O no hydrogen 3.030 N/A ALA 189.A N GLU 217.A O no hydrogen 3.031 N/A ALA 190.A N PHE 246.A O no hydrogen 2.991 N/A ASP 191.A N ILE 219.A O no hydrogen 3.001 N/A ASP 192.A N ALA 190.A O no hydrogen 3.006 N/A TYR 194.A N ASP 192.A OD1 no hydrogen 3.276 N/A TYR 194.A OH SER 272.A OG no hydrogen 3.106 N/A GLY 195.A N ASP 192.A OD1 no hydrogen 2.974 N/A ARG 196.A NH1 ASP 191.A OD1 no hydrogen 2.622 N/A ILE 199.A N GLY 195.A O no hydrogen 2.896 N/A GLU 200.A N ARG 196.A O no hydrogen 2.947 N/A LYS 201.A N PRO 197.A O no hydrogen 2.936 N/A LYS 201.A NZ GLU 205.A OE2 no hydrogen 3.234 N/A PHE 202.A N GLY 198.A O no hydrogen 2.950 N/A ARG 203.A N ILE 199.A O no hydrogen 2.919 N/A ARG 203.A NE GLU 200.A OE1 no hydrogen 3.256 N/A ARG 203.A NE GLU 200.A OE2 no hydrogen 3.200 N/A ARG 203.A NH2 GLU 200.A OE2 no hydrogen 2.350 N/A GLU 204.A N GLU 200.A O no hydrogen 3.087 N/A GLU 205.A N LYS 201.A O no hydrogen 3.126 N/A ALA 206.A N PHE 202.A O no hydrogen 3.118 N/A GLU 207.A N ARG 203.A O no hydrogen 3.249 N/A GLU 208.A N GLU 204.A O no hydrogen 3.186 N/A ARG 209.A N ALA 206.A O no hydrogen 2.903 N/A ARG 209.A NH1 GLU 205.A O no hydrogen 3.373 N/A ARG 209.A NH1 GLU 205.A OE1 no hydrogen 2.923 N/A ASP 210.A N GLU 207.A O no hydrogen 3.085 N/A ILE 211.A N ALA 206.A O no hydrogen 2.977 N/A CYS 212.A N ASN 183.A O no hydrogen 3.406 N/A ASP 214.A N VAL 185.A O no hydrogen 2.903 N/A SER 216.A OG THR 187.A OG1 no hydrogen 2.690 N/A GLU 217.A N THR 187.A O no hydrogen 3.191 N/A ILE 219.A N ALA 189.A O no hydrogen 3.018 N/A SER 223.A OG SER 220.A O no hydrogen 3.519 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 3.331 N/A ILE 228.A N ASP 224.A O no hydrogen 3.352 N/A GLN 229.A N GLU 225.A O no hydrogen 2.914 N/A HIS 230.A N GLU 226.A O no hydrogen 2.906 N/A VAL 231.A N GLU 227.A O no hydrogen 2.926 N/A VAL 232.A N ILE 228.A O no hydrogen 2.915 N/A GLU 233.A N GLN 229.A O no hydrogen 2.891 N/A VAL 234.A N HIS 230.A O no hydrogen 2.928 N/A ILE 235.A N VAL 231.A O no hydrogen 3.037 N/A GLN 236.A N VAL 232.A O no hydrogen 3.138 N/A ASN 237.A N GLU 233.A O no hydrogen 3.188 N/A SER 238.A N ILE 235.A O no hydrogen 3.232 N/A SER 238.A OG ASP 214.A OD2 no hydrogen 2.208 N/A LYS 241.A NZ PHE 487.A O no hydrogen 2.831 N/A ILE 243.A N ILE 268.A O no hydrogen 2.838 N/A VAL 244.A N GLY 186.A O no hydrogen 2.938 N/A VAL 245.A N LEU 270.A O no hydrogen 3.099 N/A PHE 246.A N ILE 188.A O no hydrogen 3.030 N/A SER 247.A OG SER 248.A O no hydrogen 3.400 N/A LEU 252.A N GLY 249.A O no hydrogen 3.138 N/A GLU 253.A N GLY 249.A O no hydrogen 2.929 N/A ILE 256.A N LEU 252.A O no hydrogen 3.152 N/A LYS 257.A N GLU 253.A O no hydrogen 2.924 N/A LYS 257.A NZ GLU 253.A OE2 no hydrogen 3.230 N/A GLU 258.A N PRO 254.A O no hydrogen 2.957 N/A ILE 259.A N LEU 255.A O no hydrogen 2.921 N/A VAL 260.A N ILE 256.A O no hydrogen 2.877 N/A ARG 261.A N LYS 257.A O no hydrogen 2.957 N/A ARG 262.A N ILE 259.A O no hydrogen 3.265 N/A ASN 263.A N VAL 260.A O no hydrogen 3.108 N/A LYS 267.A NZ ALA 240.A O no hydrogen 3.224 N/A ILE 268.A N LYS 241.A O no hydrogen 2.704 N/A TRP 269.A NE1 VAL 289.A O no hydrogen 3.106 N/A LEU 270.A N ILE 243.A O no hydrogen 2.981 N/A ALA 271.A N ILE 294.A O no hydrogen 2.853 N/A SER 272.A OG TYR 194.A OH no hydrogen 3.106 N/A TRP 275.A N SER 272.A O no hydrogen 3.235 N/A TRP 275.A NE1 VAL 245.A O no hydrogen 3.280 N/A ALA 276.A N SER 272.A O no hydrogen 2.918 N/A SER 278.A N TRP 275.A O no hydrogen 3.377 N/A LEU 280.A N SER 278.A OG no hydrogen 3.246 N/A ALA 282.A N SER 278.A O no hydrogen 3.221 N/A TYR 286.A N MET 283.A O no hydrogen 3.060 N/A PHE 287.A N PRO 284.A O no hydrogen 3.478 N/A VAL 289.A N TYR 286.A O no hydrogen 2.922 N/A VAL 290.A N TYR 286.A O no hydrogen 2.925 N/A GLY 291.A N PHE 287.A O no hydrogen 2.997 N/A THR 293.A OG1 VAL 290.A O no hydrogen 2.415 N/A ILE 294.A N TRP 269.A O no hydrogen 3.286 N/A GLY 295.A N ILE 440.A O no hydrogen 3.322 N/A ALA 297.A N SER 438.A O no hydrogen 2.691 N/A GLY 301.A N LEU 362.A O no hydrogen 3.024 N/A GLU 308.A N GLU 308.A OE1 no hydrogen 2.660 N/A LEU 310.A N PHE 306.A O no hydrogen 2.898 N/A LYS 311.A N ARG 307.A O no hydrogen 2.930 N/A LYS 312.A N PHE 309.A O no hydrogen 3.348 N/A HIS 314.A NE2 GLY 345.A O no hydrogen 2.786 N/A ARG 316.A N HIS 314.A ND1 no hydrogen 3.155 N/A SER 318.A N HIS 314.A O no hydrogen 3.273 N/A SER 318.A OG HIS 314.A O no hydrogen 3.101 N/A VAL 319.A N LYS 317.A O no hydrogen 2.854 N/A LYS 325.A NZ GLU 329.A OE2 no hydrogen 3.057 N/A PHE 327.A N PHE 323.A O no hydrogen 2.936 N/A TRP 328.A N ALA 324.A O no hydrogen 2.890 N/A GLU 329.A N LYS 325.A O no hydrogen 2.976 N/A GLU 330.A N GLU 326.A O no hydrogen 2.879 N/A THR 331.A N PHE 327.A O no hydrogen 2.900 N/A THR 331.A OG1 PHE 327.A O no hydrogen 2.844 N/A PHE 332.A N TRP 328.A O no hydrogen 2.961 N/A HIS 335.A N PRO 341.A O no hydrogen 2.997 N/A LEU 336.A N GLU 329.A OE2 no hydrogen 3.056 N/A CYS 343.A N HIS 335.A O no hydrogen 3.173 N/A TYR 356.A OH LEU 310.A O no hydrogen 3.094 N/A ASP 358.A N THR 354.A O no hydrogen 3.293 N/A THR 360.A OG1 HIS 361.A ND1 no hydrogen 3.248 N/A ARG 363.A NH1 LEU 298.A O no hydrogen 2.786 N/A TYR 366.A OH ASN 420.A OD1 no hydrogen 2.972 N/A ASN 367.A ND2 TYR 143.A O no hydrogen 3.068 N/A VAL 368.A N ILE 364.A O no hydrogen 2.966 N/A TYR 369.A N SER 365.A O no hydrogen 2.928 N/A TYR 369.A OH GLU 61.A OE1 no hydrogen 2.746 N/A LEU 370.A N TYR 366.A O no hydrogen 2.900 N/A ALA 371.A N ASN 367.A O no hydrogen 2.880 N/A VAL 372.A N VAL 368.A O no hydrogen 2.986 N/A TYR 373.A N TYR 369.A O no hydrogen 3.008 N/A TYR 373.A OH TYR 369.A OH no hydrogen 2.707 N/A SER 374.A N LEU 370.A O no hydrogen 2.886 N/A SER 374.A OG LEU 370.A O no hydrogen 2.923 N/A ALA 376.A N VAL 372.A O no hydrogen 3.015 N/A HIS 377.A N TYR 373.A O no hydrogen 2.866 N/A HIS 377.A ND1 TYR 373.A O no hydrogen 3.170 N/A ALA 378.A N SER 374.A O no hydrogen 2.951 N/A LEU 379.A N ILE 375.A O no hydrogen 2.951 N/A GLN 380.A N ALA 376.A O no hydrogen 2.932 N/A ASP 381.A N HIS 377.A O no hydrogen 2.888 N/A ILE 382.A N ALA 378.A O no hydrogen 2.965 N/A TYR 383.A N LEU 379.A O no hydrogen 2.901 N/A THR 384.A N GLN 380.A O no hydrogen 2.929 N/A THR 384.A OG1 GLN 380.A O no hydrogen 3.336 N/A CYS 385.A SG ILE 382.A O no hydrogen 3.410 N/A ARG 389.A N LEU 386.A O no hydrogen 3.123 N/A ARG 389.A NH1 PRO 387.A O no hydrogen 2.844 N/A GLY 390.A N GLY 395.A O no hydrogen 2.789 N/A GLY 395.A N PHE 392.A O no hydrogen 3.243 N/A CYS 397.A SG LEU 386.A O no hydrogen 3.700 N/A GLU 404.A N GLN 407.A OE1 no hydrogen 2.988 N/A TRP 406.A NE1 GLU 404.A OE1 no hydrogen 2.432 N/A VAL 408.A N GLU 404.A O no hydrogen 3.270 N/A LEU 409.A N ALA 405.A O no hydrogen 2.931 N/A LYS 410.A N TRP 406.A O no hydrogen 2.899 N/A HIS 411.A N GLN 407.A O no hydrogen 2.959 N/A LEU 412.A N VAL 408.A O no hydrogen 2.863 N/A ARG 413.A N LEU 409.A O no hydrogen 2.969 N/A ARG 413.A NH2 LYS 157.A O no hydrogen 3.175 N/A LEU 415.A N LEU 412.A O no hydrogen 3.308 N/A THR 418.A OG1 GLU 423.A O no hydrogen 2.963 N/A ASN 419.A N GLU 423.A O no hydrogen 3.104 N/A ASN 420.A ND2 GLN 302.A O no hydrogen 3.008 N/A GLY 422.A N ASN 419.A O no hydrogen 3.229 N/A GLU 423.A N ASN 419.A OD1 no hydrogen 2.928 N/A VAL 425.A N PHE 417.A O no hydrogen 2.872 N/A ASP 428.A N ASP 432.A O no hydrogen 3.353 N/A CYS 430.A SG SER 151.A O no hydrogen 3.951 N/A GLY 431.A N ASP 428.A O no hydrogen 2.957 N/A ASP 432.A N ASP 428.A OD1 no hydrogen 2.534 N/A TYR 437.A N TYR 459.A O no hydrogen 3.240 N/A SER 438.A N ALA 297.A O no hydrogen 2.738 N/A ILE 439.A N GLY 457.A O no hydrogen 3.234 N/A ILE 440.A N GLY 295.A O no hydrogen 3.118 N/A ASN 441.A N LYS 454.A O no hydrogen 2.563 N/A ASN 441.A ND2 GLY 292.A O no hydrogen 3.685 N/A TRP 442.A N THR 293.A O no hydrogen 3.148 N/A HIS 443.A N VAL 452.A O no hydrogen 2.764 N/A SER 445.A N SER 450.A O no hydrogen 2.947 N/A VAL 452.A N HIS 443.A O no hydrogen 3.113 N/A LYS 454.A N ASN 441.A O no hydrogen 2.760 N/A VAL 456.A N ILE 439.A O no hydrogen 2.968 N/A TYR 458.A N PHE 470.A O no hydrogen 3.202 N/A TYR 459.A N TYR 437.A O no hydrogen 3.034 N/A ASN 460.A N ARG 468.A O no hydrogen 2.877 N/A TYR 462.A N ASN 460.A OD1 no hydrogen 3.211 N/A GLU 467.A N LYS 464.A O no hydrogen 3.270 N/A ARG 468.A NE ALA 463.A O no hydrogen 3.431 N/A ARG 468.A NH2 ALA 463.A O no hydrogen 3.424 N/A PHE 470.A N TYR 458.A O no hydrogen 3.120 N/A ASN 472.A N VAL 456.A O no hydrogen 2.828 N/A LYS 475.A N ASN 472.A O no hydrogen 3.460 N/A ILE 476.A N GLU 473.A O no hydrogen 3.251 N/A TRP 478.A N SER 482.A O no hydrogen 3.144 N/A SER 479.A OG TRP 478.A O no hydrogen 3.094 N/A ARG 483.A NH1 GLU 473.A O no hydrogen 3.482 N/A ARG 483.A NH1 ILE 476.A O no hydrogen 2.870 N/A SER 488.A OG TRP 184.A O no hydrogen 3.013 N/A CYS 494.A SG ARG 499.A O no hydrogen 3.162 N/A CYS 494.A SG GLU 512.A O no hydrogen 3.515 N/A THR 498.A N LEU 495.A O no hydrogen 3.352 N/A THR 498.A OG1 LEU 495.A O no hydrogen 3.162 N/A ARG 499.A N VAL 514.A O no hydrogen 2.730 N/A ARG 499.A NH1 LYS 500.A O no hydrogen 2.395 N/A LYS 500.A N ALA 527.A O no hydrogen 2.901 N/A CYS 509.A SG ASN 183.A O no hydrogen 3.578 N/A CYS 510.A N PRO 507.A O no hydrogen 3.355 N/A PHE 511.A N SER 491.A OG no hydrogen 3.388 N/A VAL 514.A N ARG 499.A O no hydrogen 3.119 N/A CYS 516.A SG GLY 497.A O no hydrogen 3.826 N/A GLY 519.A N SER 539.A OG no hydrogen 3.228 N/A GLU 520.A N PRO 517.A O no hydrogen 3.080 N/A TYR 521.A N ASN 531.A O no hydrogen 2.707 N/A SER 522.A N HIS 543.A O no hydrogen 3.448 N/A SER 522.A OG ALA 496.A O no hydrogen 2.275 N/A SER 522.A OG THR 498.A O no hydrogen 3.301 N/A LYS 532.A N ASN 531.A OD1 no hydrogen 3.092 N/A PHE 537.A N PRO 534.A O no hydrogen 3.068 N/A TRP 538.A N ILE 547.A O no hydrogen 2.689 N/A SER 539.A OG ASN 540.A O no hydrogen 3.471 N/A ASN 540.A N SER 545.A O no hydrogen 3.010 N/A GLU 541.A N GLU 541.A OE1 no hydrogen 2.972 N/A HIS 543.A N ASN 540.A O no hydrogen 3.023 N/A HIS 543.A NE2 ASP 518.A OD1 no hydrogen 2.909 N/A SER 545.A OG CYS 546.A O no hydrogen 3.537 N/A ILE 547.A N TRP 538.A O no hydrogen 2.568 N/A LYS 549.A NZ GLN 702.A OE1 no hydrogen 3.407 N/A LYS 549.A NZ ASP 706.A O no hydrogen 2.953 N/A GLU 552.A N ILE 709.A O no hydrogen 3.105 N/A LEU 564.A N PHE 560.A O no hydrogen 3.503 N/A THR 565.A N GLY 561.A O no hydrogen 2.938 N/A THR 565.A OG1 GLY 561.A O no hydrogen 3.145 N/A LEU 566.A N ILE 562.A O no hydrogen 2.923 N/A PHE 567.A N ALA 563.A O no hydrogen 2.911 N/A ALA 568.A N LEU 564.A O no hydrogen 2.939 N/A VAL 569.A N THR 565.A O no hydrogen 2.949 N/A LEU 570.A N LEU 566.A O no hydrogen 2.897 N/A GLY 571.A N PHE 567.A O no hydrogen 2.933 N/A ILE 572.A N ALA 568.A O no hydrogen 2.963 N/A PHE 573.A N VAL 569.A O no hydrogen 2.915 N/A LEU 574.A N LEU 570.A O no hydrogen 2.907 N/A THR 575.A N GLY 571.A O no hydrogen 2.966 N/A THR 575.A OG1 GLY 571.A O no hydrogen 2.840 N/A ALA 576.A N ILE 572.A O no hydrogen 2.938 N/A PHE 577.A N PHE 573.A O no hydrogen 2.911 N/A VAL 578.A N LEU 574.A O no hydrogen 2.961 N/A LEU 579.A N THR 575.A O no hydrogen 2.939 N/A GLY 580.A N ALA 576.A O no hydrogen 2.906 N/A VAL 581.A N PHE 577.A O no hydrogen 2.929 N/A PHE 582.A N VAL 578.A O no hydrogen 2.981 N/A ILE 583.A N LEU 579.A O no hydrogen 2.929 N/A LYS 584.A N GLY 580.A O no hydrogen 2.926 N/A PHE 585.A N VAL 581.A O no hydrogen 3.245 N/A ARG 586.A NE ILE 583.A O no hydrogen 2.763 N/A THR 588.A OG1 PHE 585.A O no hydrogen 3.491 N/A LYS 592.A N THR 588.A O no hydrogen 2.924 N/A ALA 593.A N PRO 589.A O no hydrogen 2.919 N/A THR 594.A OG1 VAL 591.A O no hydrogen 3.006 N/A ARG 596.A NH1 ARG 586.A O no hydrogen 3.412 N/A SER 599.A N ASN 595.A O no hydrogen 2.881 N/A SER 599.A OG ASN 595.A O no hydrogen 2.716 N/A TYR 600.A N ARG 596.A O no hydrogen 2.896 N/A LEU 601.A N GLU 597.A O no hydrogen 2.973 N/A LEU 602.A N LEU 598.A O no hydrogen 2.862 N/A LEU 603.A N SER 599.A O no hydrogen 2.904 N/A PHE 604.A N TYR 600.A O no hydrogen 2.946 N/A SER 605.A N LEU 601.A O no hydrogen 2.919 N/A SER 605.A OG SER 635.A O no hydrogen 2.618 N/A LEU 606.A N LEU 602.A O no hydrogen 2.882 N/A LEU 607.A N LEU 603.A O no hydrogen 2.925 N/A CYS 608.A N PHE 604.A O no hydrogen 3.001 N/A CYS 608.A SG PHE 604.A O no hydrogen 3.559 N/A CYS 609.A N SER 605.A O no hydrogen 2.882 N/A CYS 609.A SG SER 793.A OG no hydrogen 3.009 N/A PHE 610.A N LEU 606.A O no hydrogen 3.025 N/A SER 611.A N LEU 607.A O no hydrogen 3.159 N/A SER 612.A N CYS 608.A O no hydrogen 2.914 N/A SER 612.A OG CYS 609.A O no hydrogen 2.828 N/A SER 613.A N PHE 610.A O no hydrogen 3.264 N/A SER 613.A OG PHE 610.A O no hydrogen 3.185 N/A LEU 614.A N SER 611.A O no hydrogen 3.310 N/A GLY 618.A N LEU 554.A O no hydrogen 2.932 N/A TRP 623.A NE1 GLN 621.A OE1 no hydrogen 3.063 N/A CYS 625.A N GLN 621.A O no hydrogen 3.305 N/A CYS 625.A SG GLN 621.A O no hydrogen 3.069 N/A CYS 625.A SG SER 697.A O no hydrogen 3.601 N/A ARG 626.A N TRP 623.A O no hydrogen 3.023 N/A LEU 627.A N TRP 623.A O no hydrogen 2.930 N/A LEU 627.A N THR 624.A O no hydrogen 3.166 N/A GLY 633.A N GLN 629.A O no hydrogen 2.981 N/A ILE 634.A N PRO 630.A O no hydrogen 2.934 N/A SER 635.A N ALA 631.A O no hydrogen 2.923 N/A SER 635.A OG ALA 631.A O no hydrogen 2.803 N/A PHE 636.A N PHE 632.A O no hydrogen 2.946 N/A VAL 637.A N GLY 633.A O no hydrogen 2.959 N/A LEU 638.A N ILE 634.A O no hydrogen 2.935 N/A CYS 639.A SG SER 605.A OG no hydrogen 3.179 N/A CYS 639.A SG SER 635.A O no hydrogen 3.184 N/A ILE 640.A N PHE 636.A O no hydrogen 3.031 N/A SER 641.A N VAL 637.A O no hydrogen 2.890 N/A SER 641.A OG VAL 637.A O no hydrogen 2.949 N/A CYS 642.A N LEU 638.A O no hydrogen 2.930 N/A CYS 642.A SG LEU 638.A O no hydrogen 3.168 N/A ILE 643.A N CYS 639.A O no hydrogen 3.001 N/A LEU 644.A N ILE 640.A O no hydrogen 2.954 N/A VAL 645.A N SER 641.A O no hydrogen 2.921 N/A LYS 646.A N CYS 642.A O no hydrogen 2.983 N/A THR 647.A N ILE 643.A O no hydrogen 3.022 N/A THR 647.A OG1 ILE 643.A O no hydrogen 3.386 N/A ASN 648.A N LEU 644.A O no hydrogen 2.949 N/A ARG 649.A N VAL 645.A O no hydrogen 3.033 N/A ARG 649.A NE TRP 667.A O no hydrogen 3.194 N/A ARG 649.A NH1 ASN 595.A OD1 no hydrogen 2.817 N/A ARG 649.A NH2 TRP 667.A O no hydrogen 2.975 N/A VAL 650.A N LYS 646.A O no hydrogen 3.240 N/A LEU 651.A N THR 647.A O no hydrogen 3.215 N/A LEU 652.A N ASN 648.A O no hydrogen 3.070 N/A VAL 653.A N ARG 649.A O no hydrogen 2.816 N/A PHE 654.A N VAL 650.A O no hydrogen 2.788 N/A GLU 655.A N LEU 651.A O no hydrogen 2.742 N/A THR 660.A OG1 ILE 658.A O no hydrogen 2.932 N/A LYS 665.A N PHE 662.A O no hydrogen 2.726 N/A TRP 666.A N PHE 662.A O no hydrogen 3.232 N/A TRP 667.A N HIS 663.A O no hydrogen 2.857 N/A LEU 675.A N LEU 671.A O no hydrogen 2.917 N/A VAL 676.A N GLN 672.A O no hydrogen 2.948 N/A PHE 677.A N PHE 673.A O no hydrogen 2.908 N/A LEU 678.A N LEU 674.A O no hydrogen 2.908 N/A CYS 679.A N LEU 675.A O no hydrogen 2.925 N/A CYS 679.A SG LEU 675.A O no hydrogen 3.539 N/A THR 680.A N VAL 676.A O no hydrogen 2.998 N/A THR 680.A OG1 PHE 677.A O no hydrogen 3.401 N/A ILE 684.A N THR 680.A O no hydrogen 3.009 N/A VAL 685.A N PHE 681.A O no hydrogen 2.921 N/A ILE 686.A N MET 682.A O no hydrogen 2.943 N/A CYS 687.A N GLN 683.A O no hydrogen 2.949 N/A CYS 687.A SG GLN 683.A O no hydrogen 3.412 N/A VAL 688.A N ILE 684.A O no hydrogen 2.967 N/A ILE 689.A N VAL 685.A O no hydrogen 2.931 N/A TRP 690.A N ILE 686.A O no hydrogen 2.895 N/A TRP 690.A NE1 GLU 715.A O no hydrogen 3.211 N/A LEU 691.A N CYS 687.A O no hydrogen 2.943 N/A TYR 692.A N VAL 688.A O no hydrogen 2.936 N/A THR 693.A N ILE 689.A O no hydrogen 3.188 N/A ALA 694.A N TRP 690.A O no hydrogen 3.270 N/A TYR 699.A N THR 712.A O no hydrogen 2.747 N/A ASN 701.A N PHE 710.A O no hydrogen 2.722 N/A GLU 707.A N GLU 707.A OE1 no hydrogen 2.475 N/A ILE 709.A N GLU 550.A O no hydrogen 3.104 N/A PHE 710.A N ASN 701.A O no hydrogen 3.303 N/A THR 712.A N TYR 699.A O no hydrogen 2.963 N/A HIS 714.A N SER 697.A O no hydrogen 3.212 N/A SER 717.A N GLU 715.A O no hydrogen 2.715 N/A LEU 721.A N LEU 718.A O no hydrogen 3.178 N/A GLY 722.A N LEU 718.A O no hydrogen 2.924 N/A PHE 723.A N MET 719.A O no hydrogen 2.952 N/A ILE 725.A N LEU 721.A O no hydrogen 3.007 N/A GLY 726.A N GLY 722.A O no hydrogen 2.884 N/A TYR 727.A N PHE 723.A O no hydrogen 2.932 N/A TYR 727.A OH CYS 679.A O no hydrogen 2.566 N/A THR 728.A N LEU 724.A O no hydrogen 2.971 N/A THR 728.A OG1 LEU 724.A O no hydrogen 2.784 N/A CYS 729.A N ILE 725.A O no hydrogen 2.955 N/A CYS 729.A SG ILE 725.A O no hydrogen 3.192 N/A LEU 730.A N GLY 726.A O no hydrogen 2.883 N/A LEU 731.A N TYR 727.A O no hydrogen 3.009 N/A ALA 732.A N THR 728.A O no hydrogen 2.948 N/A ALA 733.A N CYS 729.A O no hydrogen 2.896 N/A ILE 734.A N LEU 730.A O no hydrogen 2.943 N/A CYS 735.A N LEU 731.A O no hydrogen 2.981 N/A CYS 735.A SG LEU 731.A O no hydrogen 3.210 N/A PHE 736.A N ALA 733.A O no hydrogen 3.046 N/A PHE 738.A N ILE 734.A O no hydrogen 3.007 N/A ALA 739.A N CYS 735.A O no hydrogen 2.892 N/A PHE 740.A N PHE 736.A O no hydrogen 2.893 N/A LYS 741.A N PHE 737.A O no hydrogen 2.967 N/A SER 742.A N ALA 739.A O no hydrogen 3.283 N/A SER 742.A OG PHE 738.A O no hydrogen 3.401 N/A SER 742.A OG ALA 739.A O no hydrogen 3.006 N/A ARG 743.A NH1 PHE 740.A O no hydrogen 3.426 N/A PHE 749.A N PRO 746.A O no hydrogen 3.357 N/A ASN 750.A ND2 ARG 743.A O no hydrogen 2.796 N/A ASN 750.A ND2 LEU 745.A O no hydrogen 3.642 N/A ALA 752.A N ASN 750.A OD1 no hydrogen 3.002 N/A PHE 754.A N GLU 751.A O no hydrogen 3.177 N/A ILE 755.A N GLU 751.A O no hydrogen 3.300 N/A SER 758.A N PHE 754.A O no hydrogen 3.196 N/A SER 758.A OG ILE 755.A O no hydrogen 3.036 N/A MET 759.A N ILE 755.A O no hydrogen 3.230 N/A LEU 760.A N THR 756.A O no hydrogen 2.909 N/A PHE 763.A N MET 759.A O no hydrogen 2.932 N/A ILE 764.A N LEU 760.A O no hydrogen 2.901 N/A VAL 765.A N ILE 761.A O no hydrogen 2.922 N/A TRP 766.A N PHE 762.A O no hydrogen 2.963 N/A ILE 767.A N PHE 763.A O no hydrogen 2.893 N/A ILE 767.A N ILE 764.A O no hydrogen 3.318 N/A SER 768.A N ILE 764.A O no hydrogen 2.954 N/A SER 768.A OG ILE 764.A O no hydrogen 3.238 N/A SER 768.A OG VAL 765.A O no hydrogen 3.274 N/A ILE 770.A N ILE 767.A O no hydrogen 3.269 N/A TYR 773.A N PHE 769.A O no hydrogen 3.075 N/A ALA 774.A N ILE 770.A O no hydrogen 2.914 N/A SER 775.A N PRO 771.A O no hydrogen 2.923 N/A SER 775.A OG PRO 771.A O no hydrogen 3.148 N/A SER 775.A OG THR 776.A OG1 no hydrogen 3.190 N/A THR 776.A N ALA 772.A O no hydrogen 3.013 N/A THR 776.A OG1 SER 775.A OG no hydrogen 3.190 N/A TYR 777.A OH GLU 705.A OE1 no hydrogen 3.415 N/A LYS 779.A NZ GLU 558.A OE2 no hydrogen 2.416 N/A SER 782.A OG LYS 779.A O no hydrogen 2.904 N/A VAL 784.A N PHE 780.A O no hydrogen 2.902 N/A GLU 785.A N VAL 781.A O no hydrogen 2.938 N/A VAL 786.A N SER 782.A O no hydrogen 2.908 N/A ILE 787.A N ALA 783.A O no hydrogen 2.901 N/A ALA 788.A N VAL 784.A O no hydrogen 2.923 N/A ILE 789.A N GLU 785.A O no hydrogen 2.962 N/A LEU 790.A N VAL 786.A O no hydrogen 2.912 N/A ALA 791.A N ILE 787.A O no hydrogen 2.883 N/A ALA 792.A N ALA 788.A O no hydrogen 2.963 N/A SER 793.A N ILE 789.A O no hydrogen 2.987 N/A SER 793.A OG ILE 789.A O no hydrogen 3.169 N/A PHE 794.A N LEU 790.A O no hydrogen 2.910 N/A GLY 795.A N ALA 791.A O no hydrogen 2.906 N/A LEU 796.A N ALA 792.A O no hydrogen 2.978 N/A LEU 797.A N SER 793.A O no hydrogen 2.958 N/A ALA 798.A N PHE 794.A O no hydrogen 2.910 N/A CYS 799.A N GLY 795.A O no hydrogen 2.942 N/A ILE 800.A N LEU 796.A O no hydrogen 2.973 N/A PHE 801.A N LEU 797.A O no hydrogen 2.961 N/A PHE 801.A N ALA 798.A O no hydrogen 3.144 N/A PHE 802.A N ALA 798.A O no hydrogen 3.001 N/A ILE 805.A N PHE 801.A O no hydrogen 3.248 N/A ILE 808.A N LYS 804.A O no hydrogen 2.883 N/A LEU 809.A N ILE 805.A O no hydrogen 2.914 N/A LEU 809.A N TYR 806.A O no hydrogen 3.215 N/A PHE 810.A N TYR 806.A O no hydrogen 2.730 N/A SER 813.A N LYS 811.A O no hydrogen 2.616 N/A SER 823.A N GLU 819.A O no hydrogen 2.924 N/A SER 823.A OG GLU 819.A O no hydrogen 3.209 N/A THR 824.A N VAL 820.A O no hydrogen 2.861 N/A THR 824.A OG1 VAL 820.A O no hydrogen 3.284 N/A ALA 825.A N CYS 822.A O no hydrogen 3.219 N/A