Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jhb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.568 N/A GLU 3.A N SER 1.A OG no hydrogen 3.409 N/A SER 4.A N SER 1.A O no hydrogen 3.126 N/A GLN 5.A N SER 1.A O no hydrogen 3.299 N/A PHE 7.A N GLU 3.A O no hydrogen 2.977 N/A GLN 8.A N SER 4.A O no hydrogen 2.954 N/A GLN 8.A NE2 GLU 467.A OE2 no hydrogen 2.759 N/A ARG 9.A N GLN 5.A O no hydrogen 3.339 N/A ARG 9.A NH1 ARG 9.A O no hydrogen 2.950 N/A GLN 10.A N ALA 6.A O no hydrogen 3.325 N/A GLN 10.A N PHE 7.A O no hydrogen 2.896 N/A LEU 11.A N PHE 7.A O no hydrogen 3.252 N/A THR 12.A N GLN 8.A O no hydrogen 3.001 N/A THR 12.A OG1 GLN 8.A O no hydrogen 2.896 N/A ALA 13.A N ARG 9.A O no hydrogen 2.977 N/A LEU 14.A N GLN 10.A O no hydrogen 3.031 N/A ILE 15.A N LEU 11.A O no hydrogen 2.790 N/A GLY 16.A N THR 12.A O no hydrogen 2.878 N/A THR 20.A N ASP 18.A OD1 no hydrogen 3.145 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 2.553 N/A ASN 24.A ND2 THR 273.A O no hydrogen 2.902 N/A PHE 32.A N ASP 28.A O no hydrogen 3.078 N/A THR 33.A N GLU 29.A O no hydrogen 3.183 N/A THR 33.A N LEU 30.A O no hydrogen 2.988 N/A THR 33.A OG1 GLU 29.A O no hydrogen 2.754 N/A ARG 34.A N LEU 30.A O no hydrogen 3.014 N/A ARG 35.A N GLU 31.A O no hydrogen 2.960 N/A GLY 36.A N PHE 32.A O no hydrogen 2.851 N/A LEU 37.A N ARG 34.A O no hydrogen 3.224 N/A MET 42.A N VAL 38.A O no hydrogen 3.070 N/A ALA 43.A N THR 39.A O no hydrogen 2.984 N/A GLU 44.A N PRO 40.A O no hydrogen 3.178 N/A GLU 44.A N ARG 41.A O no hydrogen 3.038 N/A VAL 45.A N ARG 41.A O no hydrogen 2.875 N/A ALA 46.A N MET 42.A O no hydrogen 2.893 N/A SER 47.A N GLU 44.A O no hydrogen 3.321 N/A SER 47.A OG SER 47.A O no hydrogen 2.501 N/A ARG 48.A NH1 GLY 472.A O no hydrogen 3.080 N/A ARG 48.A NH2 GLY 472.A O no hydrogen 2.479 N/A LYS 51.A N ASP 49.A OD2 no hydrogen 3.227 N/A LEU 52.A N ASP 49.A OD1 no hydrogen 3.062 N/A TYR 53.A N ASP 49.A O no hydrogen 2.821 N/A TYR 53.A OH CYS 473.A O no hydrogen 2.533 N/A ALA 54.A N PRO 50.A O no hydrogen 2.713 N/A MET 55.A N LYS 51.A O no hydrogen 3.357 N/A HIS 56.A NE2 ASP 120.A OD2 no hydrogen 3.055 N/A THR 60.A N ASN 131.A O no hydrogen 2.942 N/A THR 60.A OG1 ASP 403.A OD2 no hydrogen 3.280 N/A SER 61.A N GLU 401.A OE1 no hydrogen 3.115 N/A SER 61.A OG GLU 401.A OE1 no hydrogen 2.824 N/A SER 61.A OG GLU 401.A OE2 no hydrogen 3.348 N/A LYS 62.A N THR 60.A OG1 no hydrogen 2.941 N/A LYS 62.A NZ ASP 404.A OD1 no hydrogen 2.645 N/A GLU 66.A N SER 600.A OG no hydrogen 3.241 N/A TRP 69.A N GLU 66.A O no hydrogen 3.056 N/A ILE 72.A N TRP 69.A O no hydrogen 3.200 N/A ILE 77.A N VAL 92.A O no hydrogen 2.282 N/A ILE 79.A N ILE 90.A O no hydrogen 3.120 N/A ILE 81.A N GLN 88.A O no hydrogen 3.269 N/A HIS 82.A N VAL 147.A O no hydrogen 2.701 N/A HIS 82.A ND1 VAL 147.A O no hydrogen 3.088 N/A ARG 83.A NH1 LEU 149.A O no hydrogen 3.293 N/A SER 84.A OG SER 84.A O no hydrogen 2.461 N/A THR 85.A OG1 SER 84.A O no hydrogen 2.329 N/A THR 86.A OG1 SER 84.A O no hydrogen 3.168 N/A GLN 88.A N ILE 81.A O no hydrogen 3.179 N/A VAL 92.A N ILE 77.A O no hydrogen 2.618 N/A SER 93.A N ASP 96.A OD2 no hydrogen 2.728 N/A ASP 96.A N SER 93.A O no hydrogen 2.893 N/A ILE 101.A N THR 97.A O no hydrogen 2.972 N/A LEU 102.A N PRO 98.A O no hydrogen 3.125 N/A LEU 102.A N GLY 99.A O no hydrogen 3.009 N/A GLN 103.A N GLY 99.A O no hydrogen 3.176 N/A SER 104.A N ALA 100.A O no hydrogen 2.555 N/A PHE 105.A N ILE 101.A O no hydrogen 3.137 N/A PHE 106.A N LEU 102.A O no hydrogen 3.154 N/A THR 107.A N GLN 103.A O no hydrogen 2.941 N/A THR 107.A OG1 GLN 103.A O no hydrogen 2.880 N/A LYS 108.A N PHE 105.A O no hydrogen 2.985 N/A MET 109.A N THR 107.A O no hydrogen 2.867 N/A VAL 113.A N ASP 150.A O no hydrogen 3.270 N/A ARG 115.A N VAL 148.A O no hydrogen 2.978 N/A VAL 116.A N GLU 121.A O no hydrogen 2.720 N/A CYS 117.A N HIS 146.A O no hydrogen 3.291 N/A CYS 117.A SG HIS 82.A ND1 no hydrogen 3.737 N/A GLY 118.A N THR 562.A OG1 no hydrogen 2.863 N/A ARG 119.A N VAL 116.A O no hydrogen 3.158 N/A ARG 119.A NH2 ASP 529.A OD2 no hydrogen 3.198 N/A ASP 120.A N GLY 531.A O no hydrogen 2.841 N/A LEU 123.A N LEU 114.A O no hydrogen 2.780 N/A THR 127.A N GLY 125.A O no hydrogen 2.684 N/A LYS 130.A N PRO 94.A O no hydrogen 3.376 N/A LYS 130.A NZ ASP 95.A OD1 no hydrogen 3.115 N/A ASN 131.A N PRO 128.A O no hydrogen 2.987 N/A PHE 132.A N ILE 129.A O no hydrogen 3.322 N/A GLN 133.A N TRP 58.A O no hydrogen 3.308 N/A ARG 136.A N PHE 132.A O no hydrogen 3.149 N/A ARG 136.A NE LYS 130.A O no hydrogen 2.526 N/A ARG 136.A NH1 PRO 63.A O no hydrogen 3.250 N/A ARG 136.A NH2 LYS 62.A O no hydrogen 3.099 N/A ARG 136.A NH2 LYS 130.A O no hydrogen 3.301 N/A ARG 136.A NH2 ASN 131.A OD1 no hydrogen 3.090 N/A HIS 137.A N GLN 133.A O no hydrogen 2.829 N/A CYS 138.A N TRP 134.A O no hydrogen 3.291 N/A CYS 138.A SG TRP 134.A O no hydrogen 3.169 N/A LEU 139.A N VAL 135.A O no hydrogen 3.281 N/A LYS 140.A N ARG 136.A O no hydrogen 3.199 N/A ASN 141.A N HIS 137.A O no hydrogen 3.210 N/A ASN 141.A N CYS 138.A O no hydrogen 3.176 N/A ASN 141.A ND2 HIS 137.A O no hydrogen 2.393 N/A GLY 142.A N LEU 139.A O no hydrogen 3.390 N/A HIS 146.A NE2 GLU 144.A OE2 no hydrogen 3.109 N/A VAL 147.A N VAL 80.A O no hydrogen 2.815 N/A VAL 148.A N ARG 115.A O no hydrogen 2.738 N/A LEU 149.A N HIS 82.A O no hydrogen 3.257 N/A ASP 150.A N VAL 113.A O no hydrogen 3.312 N/A THR 151.A N ASP 150.A OD1 no hydrogen 2.586 N/A ALA 156.A N ASP 154.A OD1 no hydrogen 3.353 N/A GLU 159.A N ALA 156.A O no hydrogen 3.438 N/A PHE 166.A N ILE 217.A O no hydrogen 3.271 N/A VAL 168.A N LEU 213.A O no hydrogen 3.049 N/A ILE 170.A N VAL 211.A O no hydrogen 3.108 N/A ARG 171.A N SER 284.A O no hydrogen 2.924 N/A ILE 173.A N VAL 207.A O no hydrogen 3.255 N/A THR 179.A OG1 THR 179.A O no hydrogen 2.551 N/A VAL 180.A N LYS 201.A O no hydrogen 2.517 N/A PHE 181.A N TYR 233.A O no hydrogen 3.008 N/A VAL 182.A N THR 198.A OG1 no hydrogen 2.704 N/A GLU 183.A N GLN 231.A O no hydrogen 2.733 N/A ALA 184.A N ARG 196.A O no hydrogen 2.986 N/A ASN 185.A N ASN 229.A O no hydrogen 2.661 N/A ASN 185.A ND2 GLN 231.A OE1 no hydrogen 3.644 N/A ILE 186.A N CYS 194.A O no hydrogen 2.966 N/A GLN 187.A N LEU 227.A O no hydrogen 3.009 N/A HIS 188.A N GLN 191.A O no hydrogen 2.808 N/A GLN 191.A N HIS 188.A O no hydrogen 3.337 N/A LEU 193.A N ILE 186.A O no hydrogen 2.668 N/A ARG 196.A N ALA 184.A O no hydrogen 2.781 N/A THR 198.A N VAL 182.A O no hydrogen 3.248 N/A THR 198.A OG1 VAL 182.A O no hydrogen 3.366 N/A LYS 201.A N VAL 180.A O no hydrogen 3.186 N/A THR 204.A OG1 GLU 206.A O no hydrogen 2.714 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.451 N/A TRP 209.A NE1 SER 199.A O no hydrogen 2.353 N/A VAL 211.A N ILE 170.A O no hydrogen 3.193 N/A LEU 213.A N VAL 168.A O no hydrogen 3.147 N/A PHE 215.A N PHE 166.A O no hydrogen 2.565 N/A ILE 219.A N ARG 164.A O no hydrogen 3.214 N/A ASP 221.A N LYS 218.A O no hydrogen 2.928 N/A LEU 222.A N LYS 218.A O no hydrogen 3.095 N/A LYS 224.A NZ GLU 387.A OE1 no hydrogen 2.629 N/A ALA 226.A N PRO 223.A O no hydrogen 3.121 N/A LEU 227.A N GLN 187.A O no hydrogen 2.890 N/A LEU 228.A N LEU 240.A O no hydrogen 2.872 N/A ASN 229.A N ASN 185.A O no hydrogen 3.047 N/A LEU 230.A N VAL 238.A O no hydrogen 3.002 N/A GLN 231.A N GLU 183.A O no hydrogen 2.764 N/A ILE 232.A N TYR 236.A O no hydrogen 3.084 N/A TYR 233.A N PHE 181.A O no hydrogen 3.219 N/A TYR 236.A N ILE 232.A O no hydrogen 3.237 N/A TYR 237.A N TRP 259.A O no hydrogen 3.226 N/A VAL 238.A N LEU 230.A O no hydrogen 3.103 N/A ASN 239.A ND2 LYS 268.A O no hydrogen 2.692 N/A ASN 239.A ND2 THR 270.A O no hydrogen 3.353 N/A LEU 242.A N ALA 226.A O no hydrogen 3.061 N/A ASP 244.A N LEU 248.A O no hydrogen 3.039 N/A ARG 246.A N ASP 244.A OD1 no hydrogen 3.019 N/A PHE 247.A N ASP 244.A O no hydrogen 3.353 N/A LEU 248.A N ASP 244.A OD1 no hydrogen 2.735 N/A ARG 250.A N LEU 242.A O no hydrogen 3.252 N/A ARG 250.A NE LEU 241.A O no hydrogen 3.025 N/A ARG 250.A NH1 TYR 254.A OH no hydrogen 3.470 N/A ARG 250.A NH2 LEU 241.A O no hydrogen 3.001 N/A GLY 252.A N LEU 287.A O no hydrogen 2.889 N/A TYR 254.A N ILE 285.A O no hydrogen 3.045 N/A LEU 256.A N ILE 283.A O no hydrogen 3.156 N/A MET 258.A N MET 281.A O no hydrogen 2.549 N/A TRP 259.A N TYR 237.A O no hydrogen 3.141 N/A ILE 261.A N LEU 235.A O no hydrogen 3.357 N/A ALA 266.A N MET 758.A O no hydrogen 3.123 N/A ASP 267.A N ASN 265.A OD1 no hydrogen 3.167 N/A LYS 268.A N ASN 265.A O no hydrogen 3.225 N/A LEU 269.A N ALA 266.A O no hydrogen 3.325 N/A THR 270.A N ASP 267.A O no hydrogen 3.141 N/A THR 270.A OG1 HIS 457.A O no hydrogen 2.704 N/A ALA 272.A N THR 270.A OG1 no hydrogen 3.121 N/A THR 273.A OG1 ASN 24.A OD1 no hydrogen 2.559 N/A ASN 274.A N HIS 257.A O no hydrogen 3.266 N/A ASN 274.A ND2 MET 258.A O no hydrogen 2.957 N/A ASP 276.A N ASN 274.A OD1 no hydrogen 2.733 N/A GLU 278.A N ASP 276.A OD1 no hydrogen 3.152 N/A SER 280.A OG HIS 257.A ND1 no hydrogen 3.420 N/A SER 280.A OG ASP 276.A O no hydrogen 2.559 N/A SER 282.A OG LEU 256.A O no hydrogen 3.423 N/A ILE 283.A N LEU 256.A O no hydrogen 2.736 N/A SER 284.A N GLY 172.A O no hydrogen 3.373 N/A ILE 285.A N TYR 254.A O no hydrogen 3.371 N/A LEU 287.A N GLY 252.A O no hydrogen 2.782 N/A ARG 301.A N PRO 297.A O no hydrogen 3.006 N/A LYS 302.A N ASN 298.A O no hydrogen 2.948 N/A GLN 303.A N GLN 299.A O no hydrogen 3.304 N/A LEU 304.A N LEU 300.A O no hydrogen 2.822 N/A GLU 305.A N ARG 301.A O no hydrogen 2.959 N/A ALA 306.A N LYS 302.A O no hydrogen 3.063 N/A ILE 307.A N GLN 303.A O no hydrogen 3.150 N/A ILE 308.A N LEU 304.A O no hydrogen 2.946 N/A ALA 309.A N GLU 305.A O no hydrogen 2.905 N/A THR 310.A N ILE 307.A O no hydrogen 3.371 N/A THR 310.A OG1 ILE 307.A O no hydrogen 2.723 N/A ASN 314.A N ASP 311.A O no hydrogen 3.394 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 2.820 N/A ASP 320.A N THR 317.A OG1 no hydrogen 2.954 N/A LYS 321.A N THR 317.A O no hydrogen 3.138 N/A GLU 322.A N ALA 318.A O no hydrogen 3.442 N/A LEU 323.A N GLU 319.A O no hydrogen 3.336 N/A LEU 324.A N ASP 320.A O no hydrogen 2.837 N/A TRP 325.A N LYS 321.A O no hydrogen 2.931 N/A HIS 326.A N GLU 322.A O no hydrogen 2.898 N/A PHE 327.A N LEU 323.A O no hydrogen 3.209 N/A SER 331.A N PHE 327.A O no hydrogen 3.065 N/A SER 331.A OG LEU 324.A O no hydrogen 3.340 N/A SER 331.A OG PHE 327.A O no hydrogen 2.900 N/A LYS 333.A NZ GLU 330.A OE1 no hydrogen 2.997 N/A LYS 333.A NZ GLU 330.A OE2 no hydrogen 3.561 N/A HIS 334.A N SER 331.A O no hydrogen 3.261 N/A HIS 334.A ND1 GLU 330.A O no hydrogen 3.172 N/A ALA 337.A N HIS 334.A O no hydrogen 2.830 N/A TYR 338.A N PRO 335.A O no hydrogen 3.193 N/A TYR 338.A OH LEU 332.A O no hydrogen 2.767 N/A LYS 340.A NZ ILE 307.A O no hydrogen 3.338 N/A LYS 340.A NZ THR 310.A O no hydrogen 2.433 N/A LYS 340.A NZ THR 310.A OG1 no hydrogen 3.170 N/A LYS 340.A NZ ASP 311.A O no hydrogen 3.293 N/A LEU 341.A N ALA 337.A O no hydrogen 2.814 N/A PHE 342.A N TYR 338.A O no hydrogen 3.035 N/A SER 343.A N PRO 339.A O no hydrogen 3.268 N/A SER 343.A OG PRO 339.A O no hydrogen 2.871 N/A SER 344.A N LEU 341.A O no hydrogen 2.845 N/A SER 344.A OG LYS 340.A O no hydrogen 2.777 N/A TRP 347.A NE1 PHE 342.A O no hydrogen 3.028 N/A GLN 349.A N LYS 346.A O no hydrogen 3.250 N/A GLN 350.A N ASP 221.A OD1 no hydrogen 3.529 N/A ILE 352.A N GLN 349.A O no hydrogen 3.105 N/A VAL 353.A N GLN 349.A O no hydrogen 3.123 N/A ALA 354.A N GLN 350.A O no hydrogen 3.112 N/A LYS 355.A N GLU 351.A O no hydrogen 3.344 N/A THR 356.A N ILE 352.A O no hydrogen 2.820 N/A THR 356.A OG1 ILE 352.A O no hydrogen 2.913 N/A TYR 357.A N VAL 353.A O no hydrogen 2.801 N/A TYR 357.A OH ASP 386.A OD1 no hydrogen 2.302 N/A GLN 358.A N ALA 354.A O no hydrogen 2.877 N/A LEU 359.A N LYS 355.A O no hydrogen 2.920 N/A LEU 360.A N THR 356.A O no hydrogen 2.987 N/A ALA 361.A N GLN 358.A O no hydrogen 3.194 N/A TRP 366.A NE1 ILE 392.A O no hydrogen 3.273 N/A ASP 367.A N ARG 363.A O no hydrogen 2.951 N/A SER 369.A N VAL 365.A O no hydrogen 3.127 N/A SER 369.A N TRP 366.A O no hydrogen 3.349 N/A SER 369.A OG TRP 366.A O no hydrogen 2.512 N/A GLY 374.A N ASP 372.A OD1 no hydrogen 3.095 N/A LEU 375.A N ASP 372.A OD1 no hydrogen 3.186 N/A THR 376.A N ASP 372.A O no hydrogen 2.694 N/A THR 376.A OG1 ASP 372.A O no hydrogen 2.719 N/A MET 377.A N VAL 373.A O no hydrogen 3.016 N/A GLN 378.A N GLY 374.A O no hydrogen 3.356 N/A GLN 378.A NE2 GLY 374.A O no hydrogen 3.230 N/A LEU 379.A N THR 376.A O no hydrogen 3.178 N/A LEU 380.A N MET 377.A O no hydrogen 2.847 N/A CYS 382.A SG GLN 190.A OE1 no hydrogen 3.446 N/A CYS 382.A SG ASN 383.A OD1 no hydrogen 3.345 N/A ASN 383.A N ASP 381.A OD1 no hydrogen 3.028 N/A VAL 389.A N ASP 386.A OD2 no hydrogen 2.807 N/A ARG 390.A N ASP 386.A O no hydrogen 3.248 N/A ARG 390.A NE GLU 419.A OE1 no hydrogen 2.498 N/A ARG 390.A NH1 LEU 380.A O no hydrogen 2.883 N/A ARG 390.A NH1 ALA 415.A O no hydrogen 3.498 N/A ARG 390.A NH1 GLU 419.A OE1 no hydrogen 2.896 N/A ARG 390.A NH2 ASP 381.A O no hydrogen 3.143 N/A ARG 390.A NH2 PHE 384.A O no hydrogen 2.791 N/A ALA 391.A N GLU 387.A O no hydrogen 3.247 N/A ILE 392.A N ASN 388.A O no hydrogen 3.242 N/A ALA 393.A N ARG 390.A O no hydrogen 3.166 N/A VAL 394.A N ARG 390.A O no hydrogen 2.972 N/A GLN 395.A N ALA 391.A O no hydrogen 2.861 N/A LYS 396.A N ILE 392.A O no hydrogen 3.318 N/A LYS 396.A N ALA 393.A O no hydrogen 3.004 N/A LYS 396.A NZ TRP 366.A O no hydrogen 3.024 N/A LYS 396.A NZ ASP 367.A O no hydrogen 3.529 N/A LYS 396.A NZ SER 369.A O no hydrogen 2.489 N/A LEU 397.A N ALA 393.A O no hydrogen 3.232 N/A SER 399.A N LYS 396.A O no hydrogen 3.450 N/A SER 399.A OG LYS 396.A O no hydrogen 2.849 N/A LEU 400.A N LEU 397.A O no hydrogen 2.825 N/A ASP 404.A N GLU 401.A O no hydrogen 2.875 N/A VAL 405.A N GLU 401.A O no hydrogen 3.131 N/A LEU 406.A N ASP 402.A O no hydrogen 3.201 N/A TYR 408.A N ASP 404.A O no hydrogen 3.290 N/A LEU 412.A N TYR 408.A O no hydrogen 2.995 N/A VAL 413.A N LEU 409.A O no hydrogen 2.974 N/A GLN 414.A N LEU 410.A O no hydrogen 3.036 N/A GLN 414.A NE2 GLU 451.A OE2 no hydrogen 2.501 N/A ALA 415.A N GLN 411.A O no hydrogen 2.863 N/A VAL 416.A N VAL 413.A O no hydrogen 3.365 N/A LYS 417.A N GLN 414.A O no hydrogen 3.113 N/A LYS 417.A NZ GLN 414.A OE1 no hydrogen 3.130 N/A LYS 417.A NZ GLU 451.A OE1 no hydrogen 3.363 N/A LYS 417.A NZ THR 759.A O no hydrogen 3.200 N/A PHE 418.A N ALA 415.A O no hydrogen 3.090 N/A GLU 419.A N VAL 416.A O no hydrogen 2.963 N/A HIS 422.A N GLU 29.A OE2 no hydrogen 3.191 N/A ALA 427.A N SER 424.A OG no hydrogen 3.354 N/A ARG 428.A N SER 424.A O no hydrogen 3.047 N/A ARG 428.A NE ASP 423.A OD1 no hydrogen 2.832 N/A ARG 428.A NE ASP 423.A OD2 no hydrogen 3.263 N/A ARG 428.A NH2 ASP 423.A OD2 no hydrogen 2.793 N/A PHE 429.A N ALA 425.A O no hydrogen 2.996 N/A LEU 430.A N LEU 426.A O no hydrogen 2.893 N/A LEU 431.A N ALA 427.A O no hydrogen 3.135 N/A LYS 432.A N ARG 428.A O no hydrogen 2.952 N/A LYS 432.A NZ GLU 398.A OE1 no hydrogen 3.106 N/A ARG 433.A N PHE 429.A O no hydrogen 3.186 N/A ARG 433.A NH1 LEU 400.A O no hydrogen 2.814 N/A ARG 433.A NH2 LEU 400.A O no hydrogen 2.496 N/A ARG 433.A NH2 ASP 402.A OD1 no hydrogen 2.979 N/A GLY 434.A N LEU 430.A O no hydrogen 2.974 N/A LEU 435.A N LEU 431.A O no hydrogen 3.023 N/A ARG 436.A N LYS 432.A O no hydrogen 2.948 N/A ARG 436.A NE GLU 44.A OE2 no hydrogen 3.101 N/A ARG 436.A NH1 GLU 398.A OE2 no hydrogen 3.558 N/A ARG 436.A NH2 GLU 398.A OE2 no hydrogen 3.357 N/A ASN 437.A ND2 ASP 402.A OD2 no hydrogen 3.460 N/A LYS 438.A NZ ASP 158.A OD1 no hydrogen 2.821 N/A LYS 438.A NZ ASP 158.A OD2 no hydrogen 3.213 N/A ARG 439.A N ASN 437.A OD1 no hydrogen 2.792 N/A ILE 440.A N ASN 437.A OD1 no hydrogen 3.047 N/A GLY 441.A N ASN 437.A O no hydrogen 2.841 N/A HIS 442.A N LYS 438.A O no hydrogen 3.056 N/A HIS 442.A NE2 PRO 527.A O no hydrogen 2.592 N/A PHE 443.A N ARG 439.A O no hydrogen 3.288 N/A LEU 444.A N ILE 440.A O no hydrogen 2.860 N/A PHE 445.A N GLY 441.A O no hydrogen 3.054 N/A TRP 446.A N HIS 442.A O no hydrogen 3.435 N/A TRP 446.A NE1 GLN 484.A OE1 no hydrogen 3.020 N/A PHE 447.A N PHE 443.A O no hydrogen 2.870 N/A LEU 448.A N LEU 444.A O no hydrogen 3.036 N/A ARG 449.A N PHE 445.A O no hydrogen 2.908 N/A ARG 449.A NE LEU 14.A O no hydrogen 2.306 N/A ARG 449.A NH2 ALA 13.A O no hydrogen 3.308 N/A ARG 449.A NH2 LEU 14.A O no hydrogen 3.229 N/A SER 450.A N TRP 446.A O no hydrogen 2.951 N/A SER 450.A OG TRP 446.A O no hydrogen 3.316 N/A SER 450.A OG PHE 447.A O no hydrogen 2.542 N/A GLU 451.A N PHE 447.A O no hydrogen 3.447 N/A ILE 452.A N LEU 448.A O no hydrogen 3.035 N/A GLN 454.A N GLU 451.A O no hydrogen 3.320 N/A GLN 454.A NE2 SER 450.A O no hydrogen 2.861 N/A GLN 454.A NE2 SER 612.A OG no hydrogen 2.922 N/A TYR 458.A OH ALA 266.A O no hydrogen 2.582 N/A TYR 458.A OH LYS 417.A O no hydrogen 3.046 N/A GLN 459.A N SER 455.A O no hydrogen 3.094 N/A GLN 459.A NE2 ARG 456.A O no hydrogen 3.688 N/A ARG 461.A NE HIS 422.A ND1 no hydrogen 2.932 N/A ARG 461.A NH1 VAL 416.A O no hydrogen 2.816 N/A ARG 461.A NH1 GLU 419.A O no hydrogen 2.866 N/A ARG 461.A NH2 GLU 419.A O no hydrogen 3.407 N/A PHE 462.A N TYR 458.A O no hydrogen 3.155 N/A ALA 463.A N GLN 459.A O no hydrogen 3.024 N/A VAL 464.A N GLN 460.A O no hydrogen 3.187 N/A ILE 465.A N ARG 461.A O no hydrogen 3.325 N/A LEU 466.A N PHE 462.A O no hydrogen 2.722 N/A GLU 467.A N ALA 463.A O no hydrogen 2.834 N/A ALA 468.A N VAL 464.A O no hydrogen 3.085 N/A TYR 469.A N ILE 465.A O no hydrogen 3.132 N/A TYR 469.A N LEU 466.A O no hydrogen 3.098 N/A LEU 470.A N LEU 466.A O no hydrogen 2.865 N/A ARG 471.A N GLU 467.A O no hydrogen 3.235 N/A ARG 471.A NH2 GLN 8.A OE1 no hydrogen 2.242 N/A ARG 471.A NH2 GLU 467.A OE2 no hydrogen 2.647 N/A CYS 473.A N TYR 469.A O no hydrogen 3.257 N/A CYS 473.A SG LEU 470.A O no hydrogen 3.152 N/A CYS 473.A SG GLY 474.A O no hydrogen 3.588 N/A THR 475.A N GLU 159.A O no hydrogen 3.323 N/A THR 475.A OG1 GLU 159.A O no hydrogen 2.926 N/A LEU 478.A N GLY 474.A O no hydrogen 3.351 N/A HIS 479.A N THR 475.A O no hydrogen 3.366 N/A HIS 479.A N ALA 476.A O no hydrogen 3.162 N/A ASP 480.A N ALA 476.A O no hydrogen 3.247 N/A PHE 481.A N MET 477.A O no hydrogen 2.914 N/A THR 482.A N LEU 478.A O no hydrogen 3.056 N/A THR 482.A OG1 LEU 478.A O no hydrogen 2.513 N/A GLN 483.A N HIS 479.A O no hydrogen 3.034 N/A GLN 484.A N ASP 480.A O no hydrogen 2.780 N/A VAL 485.A N PHE 481.A O no hydrogen 2.925 N/A GLN 486.A N THR 482.A O no hydrogen 3.005 N/A VAL 487.A N GLN 483.A O no hydrogen 3.042 N/A ILE 488.A N GLN 484.A O no hydrogen 3.125 N/A GLU 489.A N VAL 485.A O no hydrogen 3.238 N/A MET 490.A N GLN 486.A O no hydrogen 3.454 N/A LEU 491.A N VAL 487.A O no hydrogen 2.941 N/A GLN 492.A N ILE 488.A O no hydrogen 2.797 N/A LYS 493.A N GLU 489.A O no hydrogen 3.016 N/A VAL 494.A N MET 490.A O no hydrogen 3.204 N/A THR 495.A N LEU 491.A O no hydrogen 2.717 N/A THR 495.A OG1 LEU 491.A O no hydrogen 2.735 N/A LEU 496.A N GLN 492.A O no hydrogen 2.866 N/A ASP 497.A N LYS 493.A O no hydrogen 2.950 N/A ILE 498.A N VAL 494.A O no hydrogen 2.908 N/A LYS 499.A N THR 495.A O no hydrogen 3.200 N/A SER 500.A N LEU 496.A O no hydrogen 3.359 N/A SER 500.A OG ASP 497.A O no hydrogen 3.065 N/A SER 509.A OG SER 505.A O no hydrogen 3.177 N/A GLN 510.A N GLN 506.A O no hydrogen 3.171 N/A LEU 511.A N VAL 507.A O no hydrogen 2.878 N/A LYS 512.A N ILE 508.A O no hydrogen 3.515 N/A GLN 513.A N SER 509.A O no hydrogen 3.311 N/A LYS 514.A N GLN 510.A O no hydrogen 3.146 N/A LEU 515.A N LEU 511.A O no hydrogen 2.799 N/A GLU 516.A N LYS 512.A O no hydrogen 2.792 N/A ASN 517.A N LYS 514.A O no hydrogen 3.254 N/A GLN 519.A N LEU 515.A O no hydrogen 3.446 N/A GLN 519.A NE2 GLU 516.A O no hydrogen 3.583 N/A SER 523.A OG GLU 522.A OE1 no hydrogen 2.406 N/A PHE 524.A N ALA 534.A O no hydrogen 3.291 N/A ARG 525.A NE ASP 480.A OD2 no hydrogen 3.304 N/A ARG 525.A NH1 PRO 530.A O no hydrogen 2.704 N/A ARG 525.A NH2 ASP 120.A OD2 no hydrogen 2.969 N/A VAL 526.A N LEU 532.A O no hydrogen 3.113 N/A ASP 529.A N VAL 526.A O no hydrogen 2.857 N/A LEU 532.A N ASP 529.A O no hydrogen 3.021 N/A ALA 534.A N PHE 524.A O no hydrogen 2.836 N/A GLY 535.A N LYS 557.A O no hydrogen 2.549 N/A ALA 538.A N GLU 555.A O no hydrogen 2.718 N/A LYS 541.A N ALA 538.A O no hydrogen 2.610 N/A CYS 542.A N ALA 538.A O no hydrogen 3.124 N/A CYS 542.A N ILE 539.A O no hydrogen 3.285 N/A CYS 542.A SG ALA 538.A O no hydrogen 3.251 N/A LYS 543.A N TRP 553.A O no hydrogen 2.880 N/A MET 545.A N PRO 551.A O no hydrogen 2.904 N/A LYS 550.A N SER 547.A O no hydrogen 3.000 N/A LEU 552.A N PHE 573.A O no hydrogen 2.912 N/A TRP 553.A N LYS 543.A O no hydrogen 2.679 N/A LEU 554.A N ILE 571.A O no hydrogen 2.936 N/A PHE 556.A N ILE 569.A O no hydrogen 2.733 N/A LYS 557.A N ALA 536.A O no hydrogen 2.924 N/A CYS 558.A SG LYS 533.A O no hydrogen 3.821 N/A THR 562.A N ASP 560.A OD1 no hydrogen 3.002 N/A THR 562.A OG1 ASP 560.A OD1 no hydrogen 2.585 N/A THR 562.A OG1 ASP 560.A OD2 no hydrogen 3.109 N/A GLU 567.A N SER 565.A OG no hydrogen 2.922 N/A THR 568.A OG1 GLU 555.A OE1 no hydrogen 2.304 N/A ILE 569.A N PHE 556.A O no hydrogen 2.825 N/A ILE 571.A N LEU 554.A O no hydrogen 2.741 N/A ILE 572.A N ILE 620.A O no hydrogen 2.903 N/A PHE 573.A N LEU 552.A O no hydrogen 3.014 N/A LYS 574.A N GLY 618.A O no hydrogen 3.455 N/A LYS 574.A NZ ASP 577.A OD1 no hydrogen 2.996 N/A GLN 581.A N ASP 578.A O no hydrogen 3.356 N/A GLN 581.A NE2 ASP 578.A OD2 no hydrogen 3.450 N/A MET 583.A N LEU 579.A O no hydrogen 2.964 N/A LEU 584.A N ARG 580.A O no hydrogen 3.260 N/A ILE 585.A N GLN 581.A O no hydrogen 3.141 N/A LEU 586.A N ASP 582.A O no hydrogen 2.898 N/A GLN 587.A N MET 583.A O no hydrogen 2.859 N/A GLN 587.A NE2 HIS 407.A O no hydrogen 3.115 N/A ILE 588.A N LEU 584.A O no hydrogen 2.882 N/A LEU 589.A N ILE 585.A O no hydrogen 2.874 N/A ARG 590.A N LEU 586.A O no hydrogen 3.076 N/A ARG 590.A NH1 GLN 587.A OE1 no hydrogen 2.988 N/A ILE 591.A N GLN 587.A O no hydrogen 3.107 N/A MET 592.A N ILE 588.A O no hydrogen 2.956 N/A GLU 593.A N LEU 589.A O no hydrogen 3.053 N/A SER 594.A N ARG 590.A O no hydrogen 3.135 N/A SER 594.A OG ILE 591.A O no hydrogen 2.455 N/A ILE 595.A N ILE 591.A O no hydrogen 3.081 N/A TRP 596.A N MET 592.A O no hydrogen 3.063 N/A TRP 596.A NE1 ALA 738.A O no hydrogen 3.019 N/A GLU 597.A N SER 594.A O no hydrogen 2.868 N/A THR 598.A N ILE 595.A O no hydrogen 3.064 N/A LEU 601.A N TRP 596.A O no hydrogen 2.487 N/A LEU 606.A N TYR 669.A OH no hydrogen 2.518 N/A GLY 609.A N GLU 621.A OE2 no hydrogen 2.690 N/A CYS 610.A SG MET 619.A O no hydrogen 3.970 N/A ILE 611.A N MET 619.A O no hydrogen 2.991 N/A SER 612.A OG GLY 614.A O no hydrogen 3.569 N/A THR 613.A N ILE 617.A O no hydrogen 2.932 N/A THR 613.A OG1 ILE 617.A O no hydrogen 2.994 N/A GLY 614.A N ILE 617.A O no hydrogen 3.043 N/A GLY 618.A N LYS 574.A O no hydrogen 3.380 N/A MET 619.A N ILE 611.A O no hydrogen 2.955 N/A ILE 620.A N ILE 572.A O no hydrogen 2.905 N/A GLU 621.A N GLY 609.A O no hydrogen 2.718 N/A ILE 622.A N GLY 570.A O no hydrogen 3.173 N/A LYS 624.A NZ ILE 622.A O no hydrogen 3.408 N/A THR 627.A N ILE 688.A O no hydrogen 2.814 N/A THR 628.A OG1 ASP 684.A O no hydrogen 3.516 N/A ILE 629.A N ILE 686.A O no hydrogen 2.842 N/A ILE 632.A N THR 628.A O no hydrogen 3.197 N/A GLN 633.A N ILE 629.A O no hydrogen 3.249 N/A GLN 633.A NE2 LYS 637.A O no hydrogen 2.995 N/A GLN 634.A N ALA 630.A O no hydrogen 2.931 N/A GLU 639.A N GLU 639.A OE1 no hydrogen 2.444 N/A HIS 643.A N GLU 639.A O no hydrogen 3.484 N/A TRP 644.A N VAL 640.A O no hydrogen 3.368 N/A LYS 646.A N ASN 642.A O no hydrogen 3.304 N/A GLU 647.A N HIS 643.A O no hydrogen 3.047 N/A LYS 648.A N TRP 644.A O no hydrogen 2.932 N/A SER 649.A N LYS 646.A O no hydrogen 3.350 N/A SER 649.A OG LEU 645.A O no hydrogen 3.162 N/A SER 649.A OG LYS 646.A O no hydrogen 2.655 N/A LYS 654.A N THR 651.A OG1 no hydrogen 3.141 N/A PHE 655.A N THR 651.A O no hydrogen 3.269 N/A GLN 656.A N GLU 652.A O no hydrogen 3.252 N/A ALA 657.A N GLU 653.A O no hydrogen 3.321 N/A ALA 658.A N LYS 654.A O no hydrogen 2.986 N/A VAL 659.A N PHE 655.A O no hydrogen 2.892 N/A GLU 660.A N GLN 656.A O no hydrogen 2.951 N/A ARG 661.A N ALA 657.A O no hydrogen 3.032 N/A PHE 662.A N ALA 658.A O no hydrogen 3.205 N/A VAL 663.A N VAL 659.A O no hydrogen 3.128 N/A TYR 664.A N GLU 660.A O no hydrogen 3.205 N/A SER 665.A N ARG 661.A O no hydrogen 2.759 N/A SER 665.A OG ARG 661.A O no hydrogen 3.154 N/A SER 665.A OG PHE 662.A O no hydrogen 3.215 N/A CYS 666.A N PHE 662.A O no hydrogen 2.782 N/A ALA 667.A N VAL 663.A O no hydrogen 3.248 N/A GLY 668.A N TYR 664.A O no hydrogen 2.849 N/A TYR 669.A N SER 665.A O no hydrogen 3.201 N/A CYS 670.A N CYS 666.A O no hydrogen 3.041 N/A CYS 670.A SG CYS 666.A O no hydrogen 2.959 N/A CYS 670.A SG VAL 708.A O no hydrogen 3.708 N/A VAL 671.A N ALA 667.A O no hydrogen 3.108 N/A ALA 672.A N GLY 668.A O no hydrogen 3.003 N/A THR 673.A N TYR 669.A O no hydrogen 2.970 N/A THR 673.A OG1 TYR 669.A O no hydrogen 2.311 N/A THR 673.A OG1 CYS 670.A O no hydrogen 3.441 N/A PHE 674.A N CYS 670.A O no hydrogen 3.464 N/A VAL 675.A N VAL 671.A O no hydrogen 3.353 N/A LEU 676.A N ALA 672.A O no hydrogen 3.241 N/A GLY 677.A N PHE 674.A O no hydrogen 3.244 N/A ILE 678.A N THR 673.A O no hydrogen 3.008 N/A ARG 681.A NH1 ILE 697.A O no hydrogen 3.552 N/A ARG 681.A NH2 ILE 697.A O no hydrogen 2.962 N/A ARG 681.A NH2 ASP 698.A O no hydrogen 2.329 N/A HIS 682.A ND1 GLN 803.A OE1 no hydrogen 3.262 N/A ASN 685.A N HIS 682.A O no hydrogen 3.068 N/A ILE 686.A N ASN 683.A O no hydrogen 3.069 N/A MET 687.A N PHE 695.A O no hydrogen 2.771 N/A ILE 688.A N THR 627.A O no hydrogen 2.753 N/A THR 689.A N ASN 693.A O no hydrogen 2.842 N/A THR 689.A OG1 ASN 693.A O no hydrogen 3.382 N/A GLU 690.A N ASP 625.A O no hydrogen 2.825 N/A GLY 692.A N THR 689.A O no hydrogen 3.041 N/A ASN 693.A N THR 689.A OG1 no hydrogen 2.873 N/A ASN 693.A ND2 CYS 604.A O no hydrogen 3.293 N/A LEU 694.A N SER 665.A OG no hydrogen 2.811 N/A PHE 695.A N MET 687.A O no hydrogen 2.979 N/A ILE 697.A N ASN 685.A O no hydrogen 2.880 N/A PHE 699.A N ASP 582.A OD1 no hydrogen 2.831 N/A HIS 701.A N GLN 581.A OE1 no hydrogen 2.510 N/A THR 710.A OG1 ASP 712.A OD1 no hydrogen 2.229 N/A PHE 713.A N ASP 712.A OD1 no hydrogen 2.396 N/A LEU 714.A N THR 710.A O no hydrogen 3.144 N/A PHE 715.A N PRO 711.A O no hydrogen 2.625 N/A VAL 716.A N ASP 712.A O no hydrogen 2.942 N/A MET 717.A N PHE 713.A O no hydrogen 3.132 N/A GLY 718.A N PHE 715.A O no hydrogen 2.610 N/A THR 719.A N LEU 714.A O no hydrogen 2.968 N/A THR 719.A OG1 GLY 718.A O no hydrogen 2.999 N/A THR 719.A OG1 LYS 723.A O no hydrogen 3.353 N/A THR 719.A OG1 SER 725.A OG no hydrogen 3.097 N/A SER 725.A N THR 719.A OG1 no hydrogen 3.257 N/A SER 725.A OG MET 717.A O no hydrogen 2.384 N/A SER 725.A OG THR 719.A OG1 no hydrogen 3.097 N/A PHE 728.A N SER 725.A OG no hydrogen 3.327 N/A GLN 729.A N SER 725.A O no hydrogen 3.110 N/A LYS 730.A N PRO 726.A O no hydrogen 3.402 N/A LYS 730.A NZ TYR 664.A OH no hydrogen 3.049 N/A PHE 731.A N HIS 727.A O no hydrogen 2.882 N/A GLN 732.A N PHE 728.A O no hydrogen 2.772 N/A ASP 733.A N GLN 729.A O no hydrogen 3.068 N/A ILE 734.A N LYS 730.A O no hydrogen 2.983 N/A CYS 735.A N PHE 731.A O no hydrogen 3.011 N/A CYS 735.A SG PHE 731.A O no hydrogen 3.435 N/A LYS 737.A N ASP 733.A O no hydrogen 2.794 N/A ALA 738.A N ILE 734.A O no hydrogen 2.964 N/A TYR 739.A N CYS 735.A O no hydrogen 2.853 N/A TYR 739.A OH ALA 774.A O no hydrogen 2.668 N/A TYR 739.A OH THR 776.A OG1 no hydrogen 3.267 N/A LEU 740.A N VAL 736.A O no hydrogen 2.944 N/A ALA 741.A N LYS 737.A O no hydrogen 3.346 N/A ARG 743.A NE LEU 775.A O no hydrogen 2.907 N/A ARG 743.A NE THR 776.A OG1 no hydrogen 2.494 N/A ARG 743.A NH1 LYS 779.A O no hydrogen 3.554 N/A ARG 743.A NH2 THR 776.A O no hydrogen 2.415 N/A ARG 743.A NH2 LYS 779.A O no hydrogen 2.816 N/A HIS 744.A NE2 GLU 781.A OE2 no hydrogen 3.126 N/A HIS 745.A N LEU 742.A O no hydrogen 2.871 N/A THR 746.A N ARG 743.A O no hydrogen 3.281 N/A THR 746.A OG1 ARG 743.A O no hydrogen 2.468 N/A LEU 749.A N HIS 745.A O no hydrogen 3.077 N/A ILE 750.A N THR 746.A O no hydrogen 2.898 N/A ILE 751.A N ASN 747.A O no hydrogen 3.061 N/A LEU 752.A N LEU 748.A O no hydrogen 3.085 N/A PHE 753.A N LEU 749.A O no hydrogen 2.778 N/A SER 754.A N ILE 750.A O no hydrogen 2.676 N/A MET 755.A N ILE 751.A O no hydrogen 3.005 N/A MET 756.A N LEU 752.A O no hydrogen 2.927 N/A LEU 757.A N PHE 753.A O no hydrogen 3.249 N/A MET 758.A N SER 754.A O no hydrogen 3.347 N/A THR 759.A N MET 755.A O no hydrogen 2.973 N/A THR 759.A OG1 GLN 414.A OE1 no hydrogen 3.115 N/A THR 759.A OG1 MET 755.A O no hydrogen 3.158 N/A SER 764.A OG PHE 264.A O no hydrogen 2.335 N/A GLU 766.A N THR 763.A O no hydrogen 3.176 N/A ASP 767.A N THR 763.A O no hydrogen 3.303 N/A GLU 769.A N GLU 766.A O no hydrogen 3.394 N/A ILE 771.A N ILE 768.A O no hydrogen 3.335 N/A ARG 772.A N GLU 769.A O no hydrogen 2.897 N/A ASP 773.A N GLU 769.A O no hydrogen 2.931 N/A ALA 774.A N TYR 770.A O no hydrogen 2.746 N/A LEU 775.A N ILE 771.A O no hydrogen 3.062 N/A THR 776.A N ASP 773.A O no hydrogen 2.994 N/A THR 776.A OG1 TYR 739.A OH no hydrogen 3.267 N/A THR 776.A OG1 LEU 775.A O no hydrogen 2.390 N/A VAL 777.A N ARG 772.A O no hydrogen 3.243 N/A ASP 783.A N ASN 780.A OD1 no hydrogen 2.880 N/A ALA 784.A N ASN 780.A O no hydrogen 3.084 N/A LYS 785.A N GLU 781.A O no hydrogen 2.431 N/A LYS 786.A N GLU 782.A O no hydrogen 2.969 N/A TYR 787.A N ASP 783.A O no hydrogen 3.258 N/A PHE 788.A N ALA 784.A O no hydrogen 3.270 N/A ASP 790.A N LYS 786.A O no hydrogen 2.749 N/A GLN 791.A N TYR 787.A O no hydrogen 3.120 N/A ILE 792.A N PHE 788.A O no hydrogen 3.021 N/A GLU 793.A N LEU 789.A O no hydrogen 3.156 N/A VAL 794.A N ASP 790.A O no hydrogen 3.153 N/A CYS 795.A N ILE 792.A O no hydrogen 3.082 N/A CYS 795.A SG PHE 707.A O no hydrogen 3.256 N/A CYS 795.A SG GLN 791.A O no hydrogen 3.478 N/A ARG 796.A N ILE 792.A O no hydrogen 3.310 N/A ASP 797.A N GLU 793.A O no hydrogen 2.725 N/A LYS 798.A N VAL 794.A O no hydrogen 3.203 N/A GLN 803.A NE2 ARG 681.A O no hydrogen 3.667 N/A PHE 804.A N TRP 800.A O no hydrogen 2.427 N/A TRP 806.A N VAL 802.A O no hydrogen 2.702 N/A TRP 806.A NE1 ASP 680.A OD1 no hydrogen 2.662 N/A PHE 807.A N GLN 803.A O no hydrogen 3.218 N/A LEU 808.A N PHE 804.A O no hydrogen 2.995 N/A LEU 808.A N ASN 805.A O no hydrogen 2.831 N/A HIS 809.A N ASN 805.A O no hydrogen 2.881 N/A LEU 810.A N TRP 806.A O no hydrogen 3.427 N/A VAL 811.A N LEU 808.A O no hydrogen 3.232 N/A