Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1br4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASN 17.A OD1 no hydrogen 2.996 N/A SER 6.A OG GLU 9.A OE1 no hydrogen 2.754 N/A ASP 8.A N SER 6.A OG no hydrogen 3.233 N/A ASP 8.A N ASP 7.A OD1 no hydrogen 3.072 N/A GLU 9.A N SER 6.A OG no hydrogen 3.409 N/A LYS 10.A NZ LEU 5.A O no hydrogen 2.490 N/A LEU 12.A N GLU 9.A O no hydrogen 3.234 N/A PHE 13.A N GLU 9.A O no hydrogen 3.000 N/A ALA 24.A N ASN 21.A OD1 no hydrogen 3.026 N/A ALA 26.A N PRO 22.A O no hydrogen 2.619 N/A ASP 27.A N LEU 23.A O no hydrogen 3.211 N/A TRP 28.A N GLN 25.A O no hydrogen 3.119 N/A SER 29.A N ALA 26.A O no hydrogen 3.057 N/A SER 29.A OG ALA 26.A O no hydrogen 3.144 N/A ALA 30.A N ASP 27.A O no hydrogen 2.755 N/A LEU 33.A N ALA 30.A O no hydrogen 2.762 N/A VAL 34.A N ALA 46.A O no hydrogen 2.546 N/A TRP 35.A N GLN 75.A O no hydrogen 2.660 N/A HIS 41.A N SER 38.A OG no hydrogen 2.431 N/A GLY 42.A N SER 38.A OG no hydrogen 2.574 N/A ALA 46.A N VAL 34.A O no hydrogen 2.741 N/A SER 47.A N GLU 59.A O no hydrogen 3.472 N/A ILE 48.A N LYS 32.A O no hydrogen 2.976 N/A LYS 49.A N THR 57.A O no hydrogen 2.879 N/A GLU 50.A N THR 57.A O no hydrogen 3.275 N/A VAL 56.A N LEU 69.A O no hydrogen 2.722 N/A THR 57.A N GLU 50.A O no hydrogen 2.567 N/A VAL 58.A N THR 68.A OG1 no hydrogen 3.163 N/A GLU 59.A N SER 47.A O no hydrogen 3.424 N/A GLN 61.A N ALA 45.A O no hydrogen 3.372 N/A LEU 69.A N VAL 56.A O no hydrogen 3.098 N/A SER 70.A OG ASP 54.A O no hydrogen 2.808 N/A SER 70.A OG ASP 72.A OD1 no hydrogen 3.219 N/A SER 70.A OG ASP 72.A OD2 no hydrogen 2.716 N/A LYS 71.A N ASP 54.A O no hydrogen 2.401 N/A ASP 73.A N SER 70.A O no hydrogen 3.300 N/A PHE 82.A N PRO 79.A O no hydrogen 3.114 N/A LYS 84.A NZ SER 109.A OG no hydrogen 3.227 N/A VAL 85.A N ASN 102.A OD1 no hydrogen 2.991 N/A MET 88.A N TYR 115.A O no hydrogen 2.851 N/A ALA 89.A N ASP 87.A OD1 no hydrogen 2.671 N/A GLU 90.A N ASP 87.A O no hydrogen 2.728 N/A LEU 91.A N MET 88.A O no hydrogen 3.315 N/A THR 92.A OG1 ASN 78.A OD1 no hydrogen 2.382 N/A CYS 93.A SG MET 77.A O no hydrogen 3.610 N/A CYS 93.A SG ASN 78.A OD1 no hydrogen 2.902 N/A CYS 93.A SG THR 92.A OG1 no hydrogen 3.408 N/A ALA 97.A N GLN 75.A OE1 no hydrogen 3.102 N/A SER 98.A OG CYS 93.A O no hydrogen 3.071 N/A SER 98.A OG ASN 95.A OD1 no hydrogen 3.243 N/A VAL 99.A N ASN 95.A O no hydrogen 3.316 N/A HIS 101.A N ALA 97.A O no hydrogen 2.864 N/A ASN 102.A N SER 98.A O no hydrogen 3.186 N/A ASN 102.A ND2 VAL 85.A O no hydrogen 3.070 N/A LEU 103.A N VAL 99.A O no hydrogen 3.162 N/A ARG 104.A N LEU 100.A O no hydrogen 2.822 N/A ARG 104.A NH1 HIS 41.A O no hydrogen 3.168 N/A GLU 105.A N HIS 101.A O no hydrogen 2.938 N/A ARG 106.A N ASN 102.A O no hydrogen 3.138 N/A TYR 107.A N LEU 103.A O no hydrogen 3.108 N/A TYR 107.A OH ASN 124.A O no hydrogen 2.799 N/A TYR 107.A OH PRO 125.A O no hydrogen 3.298 N/A PHE 108.A N ARG 104.A O no hydrogen 3.076 N/A SER 109.A N ARG 106.A O no hydrogen 3.246 N/A SER 109.A OG GLU 105.A O no hydrogen 2.684 N/A GLY 110.A N TYR 107.A O no hydrogen 2.816 N/A LEU 111.A N ARG 106.A O no hydrogen 2.552 N/A TYR 113.A OH TYR 132.A OH no hydrogen 2.500 N/A THR 114.A N VAL 121.A O no hydrogen 3.051 N/A THR 114.A OG1 ILE 112.A O no hydrogen 2.682 N/A TYR 115.A N GLU 86.A O no hydrogen 3.104 N/A SER 116.A N PHE 119.A O no hydrogen 3.155 N/A CYS 120.A SG THR 114.A O no hydrogen 3.195 N/A CYS 120.A SG VAL 121.A O no hydrogen 3.098 N/A ASN 124.A N ILE 645.A O no hydrogen 2.770 N/A ASN 124.A ND2 GLY 179.A O no hydrogen 3.291 N/A TYR 132.A OH TYR 113.A OH no hydrogen 2.500 N/A LYS 135.A N SER 133.A OG no hydrogen 3.115 N/A ILE 137.A N SER 133.A O no hydrogen 3.013 N/A ASP 138.A N GLU 134.A O no hydrogen 3.238 N/A MET 139.A N LYS 135.A O no hydrogen 2.903 N/A TYR 140.A N ILE 136.A O no hydrogen 3.263 N/A TYR 140.A OH PRO 149.A O no hydrogen 2.898 N/A LYS 141.A N ILE 137.A O no hydrogen 3.304 N/A LYS 141.A N ASP 138.A O no hydrogen 2.918 N/A GLY 142.A N ASP 157.A OD2 no hydrogen 3.192 N/A LYS 143.A N TYR 140.A O no hydrogen 2.732 N/A LYS 143.A NZ LYS 141.A O no hydrogen 3.429 N/A TYR 153.A N HIS 151.A ND1 no hydrogen 3.009 N/A TYR 153.A OH GLN 191.A OE1 no hydrogen 2.754 N/A ALA 154.A N HIS 151.A O no hydrogen 2.700 N/A ILE 155.A N HIS 151.A O no hydrogen 3.177 N/A ALA 156.A N ILE 152.A O no hydrogen 3.142 N/A ASP 157.A N TYR 153.A O no hydrogen 3.196 N/A THR 158.A N ALA 154.A O no hydrogen 3.020 N/A THR 158.A OG1 ALA 154.A O no hydrogen 2.398 N/A ALA 159.A N ILE 155.A O no hydrogen 2.908 N/A TYR 160.A N ALA 156.A O no hydrogen 3.034 N/A TYR 160.A OH GLY 247.A O no hydrogen 2.612 N/A ARG 161.A N ASP 157.A O no hydrogen 2.952 N/A SER 162.A N THR 158.A O no hydrogen 3.137 N/A MET 163.A N ALA 159.A O no hydrogen 3.099 N/A LEU 164.A N TYR 160.A O no hydrogen 3.206 N/A GLN 165.A N ARG 161.A O no hydrogen 2.800 N/A ASP 166.A N SER 162.A O no hydrogen 3.034 N/A GLU 168.A N MET 163.A O no hydrogen 3.365 N/A GLN 170.A N PHE 441.A O no hydrogen 3.414 N/A GLN 170.A NE2 GLU 168.A O no hydrogen 2.512 N/A GLN 170.A NE2 ASP 169.A O no hydrogen 3.160 N/A SER 171.A N ASN 638.A O no hydrogen 2.769 N/A SER 171.A OG THR 637.A OG1 no hydrogen 3.221 N/A SER 171.A OG ASN 638.A O no hydrogen 3.060 N/A ILE 172.A N GLY 443.A O no hydrogen 2.804 N/A LEU 173.A N ASN 640.A O no hydrogen 2.813 N/A CYS 174.A SG LYS 182.A O no hydrogen 3.199 N/A CYS 174.A SG THR 186.A OG1 no hydrogen 3.389 N/A THR 175.A N VAL 642.A O no hydrogen 3.229 N/A THR 175.A OG1 ASN 668.A OD1 no hydrogen 3.284 N/A ALA 180.A N GLU 177.A O no hydrogen 3.174 N/A LYS 182.A NZ GLY 176.A O no hydrogen 2.657 N/A LYS 182.A NZ GLU 177.A O no hydrogen 2.472 N/A THR 183.A OG1 SER 233.A OG no hydrogen 3.029 N/A THR 186.A N THR 183.A O no hydrogen 2.484 N/A THR 186.A OG1 LYS 182.A O no hydrogen 3.121 N/A LYS 187.A N THR 183.A O no hydrogen 2.982 N/A LYS 187.A NZ GLU 219.A OE1 no hydrogen 3.114 N/A LYS 187.A NZ GLU 219.A OE2 no hydrogen 3.058 N/A LYS 188.A N GLU 184.A O no hydrogen 2.934 N/A LYS 188.A NZ GLN 191.A OE1 no hydrogen 3.275 N/A VAL 189.A N ASN 185.A O no hydrogen 3.153 N/A ILE 190.A N THR 186.A O no hydrogen 3.013 N/A GLN 191.A N LYS 187.A O no hydrogen 2.769 N/A TYR 192.A N LYS 188.A O no hydrogen 2.989 N/A TYR 192.A OH ASP 157.A OD1 no hydrogen 2.101 N/A LEU 193.A N VAL 189.A O no hydrogen 3.183 N/A ALA 194.A N ILE 190.A O no hydrogen 2.819 N/A VAL 195.A N TYR 192.A O no hydrogen 3.347 N/A VAL 196.A N TYR 192.A O no hydrogen 2.788 N/A SER 198.A OG ALA 194.A O no hydrogen 2.553 N/A SER 198.A OG GLU 208.A OE2 no hydrogen 2.789 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.599 N/A LEU 211.A N LEU 207.A O no hydrogen 2.431 N/A GLN 213.A N GLN 210.A O no hydrogen 2.382 N/A GLN 213.A NE2 LYS 209.A O no hydrogen 2.884 N/A ILE 217.A N ALA 214.A O no hydrogen 3.352 N/A LEU 218.A N ALA 214.A O no hydrogen 3.484 N/A GLU 219.A N ASN 215.A O no hydrogen 3.178 N/A ALA 220.A N ILE 217.A O no hydrogen 2.881 N/A GLY 222.A N ALA 220.A O no hydrogen 3.044 N/A ASN 223.A N GLU 219.A O no hydrogen 2.840 N/A ASN 223.A ND2 SER 233.A OG no hydrogen 3.127 N/A ALA 224.A N SER 232.A O no hydrogen 2.896 N/A LYS 225.A NZ THR 226.A O no hydrogen 3.527 N/A THR 226.A N ASN 229.A O no hydrogen 2.773 N/A LYS 228.A N THR 226.A OG1 no hydrogen 2.967 N/A ASN 229.A ND2 LYS 228.A O no hydrogen 3.407 N/A SER 232.A N ALA 224.A O no hydrogen 3.116 N/A SER 233.A OG THR 183.A OG1 no hydrogen 3.029 N/A ARG 234.A N GLY 222.A O no hydrogen 3.230 N/A ARG 234.A NE GLU 260.A OE1 no hydrogen 3.343 N/A ARG 234.A NH1 GLU 451.A OE1 no hydrogen 2.765 N/A ARG 234.A NH2 GLU 451.A OE1 no hydrogen 2.832 N/A ARG 234.A NH2 GLU 451.A OE2 no hydrogen 2.515 N/A GLY 236.A N TYR 257.A O no hydrogen 2.402 N/A LYS 237.A NZ ASN 215.A OD1 no hydrogen 2.676 N/A LYS 237.A NZ ASP 446.A OD2 no hydrogen 2.438 N/A ILE 239.A N ILE 444.A O no hydrogen 3.008 N/A ARG 240.A N ASN 253.A O no hydrogen 2.517 N/A ILE 241.A N LEU 442.A O no hydrogen 2.817 N/A ASN 242.A N GLY 251.A O no hydrogen 2.747 N/A PHE 243.A N SER 440.A O no hydrogen 2.870 N/A ASP 244.A N TYR 248.A O no hydrogen 2.907 N/A THR 246.A N ASP 244.A OD1 no hydrogen 2.922 N/A THR 246.A OG1 ASP 244.A OD2 no hydrogen 2.757 N/A GLY 247.A N ASP 244.A O no hydrogen 3.223 N/A TYR 248.A N ASP 244.A OD1 no hydrogen 2.499 N/A ILE 249.A N ALA 197.A O no hydrogen 3.369 N/A VAL 250.A N ASN 242.A O no hydrogen 3.049 N/A ALA 252.A N LEU 437.A O no hydrogen 2.329 N/A ASN 253.A N ARG 240.A O no hydrogen 2.797 N/A ILE 254.A N ASN 434.A OD1 no hydrogen 2.722 N/A GLU 255.A N PHE 238.A O no hydrogen 3.232 N/A TYR 257.A N GLY 236.A O no hydrogen 2.900 N/A GLU 260.A N ARG 234.A O no hydrogen 3.366 N/A LYS 261.A N LEU 259.A O no hydrogen 2.593 N/A ARG 263.A NE GLU 260.A OE1 no hydrogen 3.185 N/A ARG 263.A NH1 GLU 271.A OE1 no hydrogen 2.711 N/A ARG 263.A NH1 ARG 272.A O no hydrogen 3.457 N/A ARG 263.A NH2 GLU 271.A OE1 no hydrogen 3.110 N/A ALA 264.A N LYS 261.A O no hydrogen 2.372 N/A GLN 267.A NE2 PHE 302.A O no hydrogen 2.302 N/A ARG 272.A N LYS 225.A O no hydrogen 3.261 N/A ARG 272.A NH1 VAL 308.A O no hydrogen 3.045 N/A ARG 272.A NH2 ASP 315.A OD1 no hydrogen 3.465 N/A THR 273.A N TYR 278.A OH no hydrogen 3.283 N/A PHE 277.A N PHE 274.A O no hydrogen 2.830 N/A TYR 279.A N HIS 275.A O no hydrogen 3.144 N/A TYR 279.A OH HIS 275.A ND1 no hydrogen 3.262 N/A TYR 279.A OH GLN 313.A OE1 no hydrogen 2.574 N/A LEU 280.A N ILE 276.A O no hydrogen 3.045 N/A ILE 281.A N PHE 277.A O no hydrogen 3.039 N/A ALA 282.A N TYR 278.A O no hydrogen 2.944 N/A GLY 283.A N TYR 279.A O no hydrogen 2.599 N/A ALA 284.A N LEU 280.A O no hydrogen 2.745 N/A GLN 287.A NE2 ASP 291.A OD1 no hydrogen 3.313 N/A MET 288.A N SER 285.A OG no hydrogen 2.970 N/A ARG 289.A N SER 285.A O no hydrogen 2.324 N/A ASN 290.A N GLU 286.A O no hydrogen 3.145 N/A ASP 291.A N MET 288.A O no hydrogen 2.727 N/A LEU 294.A N ARG 289.A O no hydrogen 3.368 N/A GLU 295.A N TYR 300.A OH no hydrogen 2.327 N/A LEU 303.A N TYR 300.A O no hydrogen 3.402 N/A SER 304.A N GLN 267.A OE1 no hydrogen 2.776 N/A ASN 305.A ND2 GLU 271.A O no hydrogen 3.499 N/A GLN 313.A N ILE 310.A O no hydrogen 3.224 N/A GLU 317.A N GLN 314.A O no hydrogen 2.687 N/A MET 318.A N GLN 314.A O no hydrogen 2.606 N/A PHE 319.A N ASP 315.A O no hydrogen 2.896 N/A GLU 321.A N GLU 317.A O no hydrogen 2.946 N/A THR 322.A N MET 318.A O no hydrogen 2.937 N/A THR 322.A OG1 MET 318.A O no hydrogen 2.884 N/A THR 322.A OG1 PHE 319.A O no hydrogen 2.484 N/A LEU 323.A N PHE 319.A O no hydrogen 2.767 N/A GLU 324.A N GLN 320.A O no hydrogen 2.874 N/A ALA 325.A N GLU 321.A O no hydrogen 3.079 N/A MET 326.A N THR 322.A O no hydrogen 3.312 N/A THR 327.A N LEU 323.A O no hydrogen 3.373 N/A THR 327.A OG1 GLU 324.A O no hydrogen 2.262 N/A ILE 328.A N GLU 324.A O no hydrogen 3.171 N/A MET 329.A N ALA 325.A O no hydrogen 3.361 N/A PHE 331.A N MET 326.A O no hydrogen 3.297 N/A GLU 333.A N GLU 333.A OE1 no hydrogen 2.543 N/A GLN 336.A N THR 332.A O no hydrogen 2.987 N/A GLN 336.A NE2 THR 332.A O no hydrogen 3.164 N/A THR 337.A N GLU 333.A O no hydrogen 3.353 N/A THR 337.A OG1 GLU 333.A O no hydrogen 2.711 N/A THR 337.A OG1 GLU 334.A O no hydrogen 2.806 N/A SER 338.A N GLU 334.A O no hydrogen 2.814 N/A SER 338.A OG GLU 334.A O no hydrogen 2.917 N/A ILE 339.A N GLN 336.A O no hydrogen 2.922 N/A LEU 340.A N GLN 336.A O no hydrogen 3.069 N/A ARG 341.A N THR 337.A O no hydrogen 3.092 N/A VAL 343.A N ILE 339.A O no hydrogen 3.375 N/A SER 344.A N LEU 340.A O no hydrogen 3.331 N/A SER 344.A OG LEU 292.A O no hydrogen 2.635 N/A SER 344.A OG ARG 341.A O no hydrogen 2.575 N/A SER 345.A N ARG 341.A O no hydrogen 2.938 N/A SER 345.A OG VAL 342.A O no hydrogen 3.018 N/A VAL 346.A N VAL 342.A O no hydrogen 2.894 N/A LEU 347.A N VAL 343.A O no hydrogen 3.031 N/A GLN 348.A N SER 344.A O no hydrogen 3.035 N/A LEU 349.A N SER 345.A O no hydrogen 3.056 N/A GLY 350.A N LEU 347.A O no hydrogen 3.202 N/A ASN 351.A N GLN 348.A O no hydrogen 2.521 N/A LYS 355.A N SER 364.A O no hydrogen 3.307 N/A LYS 356.A NZ ASP 361.A OD2 no hydrogen 3.371 N/A GLU 357.A N GLN 362.A O no hydrogen 3.241 N/A THR 360.A OG1 GLU 357.A OE1 no hydrogen 2.698 N/A SER 364.A OG LYS 355.A O no hydrogen 2.974 N/A ASN 368.A ND2 PRO 366.A O no hydrogen 3.334 N/A THR 369.A N ASP 367.A OD1 no hydrogen 3.356 N/A THR 369.A OG1 ASP 367.A OD1 no hydrogen 2.725 N/A THR 369.A OG1 ASP 367.A OD2 no hydrogen 3.360 N/A GLN 372.A N ASN 368.A O no hydrogen 2.919 N/A LYS 373.A N THR 369.A O no hydrogen 3.197 N/A LYS 373.A N ALA 370.A O no hydrogen 3.060 N/A VAL 374.A N ALA 371.A O no hydrogen 3.011 N/A CYS 375.A N ALA 371.A O no hydrogen 3.051 N/A CYS 375.A SG ALA 371.A O no hydrogen 3.248 N/A HIS 376.A ND1 HIS 376.A O no hydrogen 2.724 N/A LEU 377.A N VAL 374.A O no hydrogen 3.191 N/A MET 378.A N CYS 375.A O no hydrogen 2.810 N/A GLY 379.A N CYS 375.A O no hydrogen 2.751 N/A THR 383.A OG1 ASN 381.A OD1 no hydrogen 2.881 N/A ASP 384.A N ASN 381.A OD1 no hydrogen 2.323 N/A PHE 385.A N ASN 381.A O no hydrogen 2.890 N/A THR 386.A N VAL 382.A O no hydrogen 2.842 N/A THR 386.A OG1 VAL 382.A O no hydrogen 2.508 N/A ARG 387.A N THR 383.A O no hydrogen 3.026 N/A ARG 387.A NH2 ASP 384.A OD1 no hydrogen 3.475 N/A SER 388.A N ASP 384.A O no hydrogen 2.910 N/A SER 388.A OG ASP 384.A O no hydrogen 2.074 N/A ILE 389.A N PHE 385.A O no hydrogen 2.947 N/A LEU 390.A N THR 386.A O no hydrogen 3.081 N/A THR 391.A N ARG 387.A O no hydrogen 2.323 N/A THR 391.A OG1 ARG 387.A O no hydrogen 2.778 N/A THR 391.A OG1 THR 391.A O no hydrogen 2.330 N/A ARG 393.A N ASN 589.A OD1 no hydrogen 2.966 N/A ARG 398.A N VAL 396.A O no hydrogen 2.673 N/A VAL 401.A N ASP 399.A OD1 no hydrogen 3.483 N/A LYS 403.A N PRO 392.A O no hydrogen 2.973 N/A LYS 407.A NZ PHE 354.A O no hydrogen 3.071 N/A ASP 411.A N LYS 407.A O no hydrogen 2.586 N/A PHE 412.A N GLU 408.A O no hydrogen 2.595 N/A GLU 415.A N ASP 411.A O no hydrogen 2.921 N/A ALA 416.A N PHE 412.A O no hydrogen 3.395 N/A LEU 417.A N ILE 414.A O no hydrogen 3.361 N/A ALA 418.A N ILE 414.A O no hydrogen 3.050 N/A LYS 419.A N GLU 415.A O no hydrogen 3.024 N/A ALA 420.A N LEU 417.A O no hydrogen 3.195 N/A LYS 421.A N LEU 417.A O no hydrogen 2.753 N/A LYS 421.A N ALA 418.A O no hydrogen 2.835 N/A LYS 421.A NZ SER 345.A OG no hydrogen 3.385 N/A PHE 422.A N ALA 418.A O no hydrogen 3.140 N/A ARG 424.A N ALA 420.A O no hydrogen 2.932 N/A LEU 425.A N PHE 422.A O no hydrogen 2.613 N/A PHE 426.A N PHE 422.A O no hydrogen 2.732 N/A ARG 427.A N GLU 423.A O no hydrogen 3.338 N/A TRP 428.A N LEU 425.A O no hydrogen 2.639 N/A ILE 429.A N LEU 425.A O no hydrogen 3.065 N/A LEU 430.A N PHE 426.A O no hydrogen 3.117 N/A THR 431.A N ARG 427.A O no hydrogen 3.326 N/A THR 431.A N TRP 428.A O no hydrogen 3.281 N/A THR 431.A OG1 ARG 427.A O no hydrogen 2.393 N/A ARG 432.A N ILE 429.A O no hydrogen 2.381 N/A ARG 432.A NH2 GLY 330.A O no hydrogen 3.419 N/A VAL 433.A N ILE 429.A O no hydrogen 2.694 N/A ASN 434.A N LEU 430.A O no hydrogen 2.995 N/A ASN 434.A ND2 ILE 254.A O no hydrogen 2.602 N/A ASN 434.A ND2 LEU 430.A O no hydrogen 3.145 N/A ALA 436.A N VAL 433.A O no hydrogen 2.579 N/A LEU 437.A N VAL 433.A O no hydrogen 3.311 N/A SER 440.A N PHE 243.A O no hydrogen 3.309 N/A PHE 441.A N ASP 169.A OD1 no hydrogen 2.527 N/A LEU 442.A N ILE 241.A O no hydrogen 2.691 N/A GLY 443.A N GLN 170.A O no hydrogen 2.674 N/A ILE 444.A N ILE 239.A O no hydrogen 2.748 N/A LEU 445.A N ILE 172.A O no hydrogen 3.299 N/A ASP 446.A N LYS 237.A O no hydrogen 2.497 N/A GLU 451.A N ASN 464.A OD1 no hydrogen 3.211 N/A ASN 456.A ND2 THR 572.A O no hydrogen 2.377 N/A SER 457.A OG GLU 459.A OE1 no hydrogen 2.295 N/A GLU 459.A N GLU 459.A OE1 no hydrogen 2.804 N/A LEU 461.A N PHE 458.A O no hydrogen 2.641 N/A CYS 462.A N PHE 458.A O no hydrogen 3.410 N/A CYS 462.A SG PHE 458.A O no hydrogen 3.402 N/A CYS 462.A SG GLU 459.A O no hydrogen 3.676 N/A ILE 463.A N GLU 459.A O no hydrogen 3.078 N/A ASN 464.A N GLN 460.A O no hydrogen 3.306 N/A ASN 464.A ND2 GLU 451.A O no hydrogen 2.770 N/A TYR 465.A N LEU 461.A O no hydrogen 2.790 N/A TYR 465.A OH GLU 510.A OE2 no hydrogen 2.869 N/A THR 466.A N CYS 462.A O no hydrogen 2.937 N/A THR 466.A N ILE 463.A O no hydrogen 3.123 N/A THR 466.A OG1 CYS 462.A O no hydrogen 2.296 N/A THR 466.A OG1 ILE 463.A O no hydrogen 3.075 N/A THR 466.A OG1 TYR 623.A OH no hydrogen 2.657 N/A ASN 467.A N ILE 463.A O no hydrogen 3.309 N/A ASN 467.A ND2 ALA 448.A O no hydrogen 2.262 N/A GLU 468.A N ASN 464.A O no hydrogen 3.042 N/A LYS 469.A N TYR 465.A O no hydrogen 3.207 N/A LEU 470.A N THR 466.A O no hydrogen 2.954 N/A GLN 471.A N ASN 467.A O no hydrogen 2.820 N/A GLN 472.A N GLU 468.A O no hydrogen 2.936 N/A LEU 473.A N LYS 469.A O no hydrogen 3.123 N/A PHE 474.A N LEU 470.A O no hydrogen 3.113 N/A ASN 475.A N GLN 471.A O no hydrogen 3.276 N/A HIS 476.A N GLN 472.A O no hydrogen 2.888 N/A THR 477.A N LEU 473.A O no hydrogen 2.904 N/A THR 477.A OG1 LEU 473.A O no hydrogen 2.414 N/A THR 477.A OG1 PHE 474.A O no hydrogen 3.268 N/A MET 478.A N PHE 474.A O no hydrogen 2.858 N/A PHE 479.A N ASN 475.A O no hydrogen 2.949 N/A ILE 480.A N ASN 475.A O no hydrogen 3.369 N/A LEU 481.A N HIS 476.A O no hydrogen 2.668 N/A GLN 483.A N PHE 479.A O no hydrogen 3.428 N/A GLN 483.A NE2 PHE 479.A O no hydrogen 2.988 N/A GLN 483.A NE2 ILE 496.A O no hydrogen 3.662 N/A TYR 486.A N GLN 483.A O no hydrogen 2.785 N/A GLN 487.A N GLN 483.A O no hydrogen 3.078 N/A ARG 488.A N GLU 484.A O no hydrogen 2.793 N/A GLU 489.A N GLU 485.A O no hydrogen 3.191 N/A GLY 490.A N TYR 486.A O no hydrogen 2.998 N/A TRP 493.A NE1 GLN 483.A OE1 no hydrogen 3.184 N/A ASN 494.A ND2 PHE 495.A O no hydrogen 3.410 N/A ILE 496.A N GLN 483.A OE1 no hydrogen 2.808 N/A LEU 502.A N GLN 472.A OE1 no hydrogen 2.642 N/A GLN 503.A N ASP 501.A OD1 no hydrogen 2.655 N/A CYS 505.A SG GLU 468.A OE1 no hydrogen 3.779 N/A CYS 505.A SG GLU 468.A OE2 no hydrogen 3.910 N/A CYS 505.A SG LEU 565.A O no hydrogen 3.455 N/A CYS 505.A SG HIS 566.A ND1 no hydrogen 3.973 N/A ILE 506.A N GLN 503.A O no hydrogen 2.856 N/A GLU 507.A N GLN 503.A O no hydrogen 2.866 N/A LEU 508.A N PRO 504.A O no hydrogen 2.908 N/A ILE 509.A N ILE 506.A O no hydrogen 2.557 N/A GLU 510.A N GLU 507.A O no hydrogen 2.765 N/A VAL 518.A N LEU 508.A O no hydrogen 2.927 N/A LEU 521.A N GLY 517.A O no hydrogen 2.961 N/A ASP 523.A N LEU 519.A O no hydrogen 2.829 N/A GLU 525.A N LEU 521.A O no hydrogen 3.186 N/A CYS 526.A N LEU 522.A O no hydrogen 2.971 N/A CYS 526.A N ASP 523.A O no hydrogen 3.362 N/A CYS 526.A SG ASP 523.A O no hydrogen 3.038 N/A TRP 527.A N GLU 524.A O no hydrogen 2.453 N/A THR 532.A N SER 535.A OG no hydrogen 2.519 N/A THR 532.A OG1 SER 535.A OG no hydrogen 2.575 N/A SER 535.A OG GLU 525.A OE2 no hydrogen 3.224 N/A SER 535.A OG THR 532.A O no hydrogen 2.555 N/A SER 535.A OG THR 532.A OG1 no hydrogen 2.575 N/A PHE 536.A N THR 532.A O no hydrogen 3.149 N/A LYS 539.A N SER 535.A O no hydrogen 3.247 N/A LEU 540.A N PHE 536.A O no hydrogen 3.087 N/A ILE 541.A N VAL 537.A O no hydrogen 3.352 N/A GLN 542.A N GLU 538.A O no hydrogen 2.828 N/A GLN 544.A N LEU 540.A O no hydrogen 2.898 N/A GLN 544.A NE2 PRO 516.A O no hydrogen 2.703 N/A GLY 545.A N ILE 541.A O no hydrogen 3.107 N/A PHE 550.A N HIS 547.A O no hydrogen 2.752 N/A SER 553.A OG GLN 555.A O no hydrogen 3.041 N/A SER 553.A OG GLU 561.A OE1 no hydrogen 2.532 N/A PHE 562.A N TYR 573.A O no hydrogen 2.905 N/A ILE 564.A N VAL 571.A O no hydrogen 3.302 N/A LEU 565.A N LYS 549.A O no hydrogen 2.739 N/A HIS 566.A ND1 GLU 468.A OE1 no hydrogen 2.454 N/A HIS 566.A NE2 TYR 573.A OH no hydrogen 2.473 N/A TYR 567.A OH ASN 467.A OD1 no hydrogen 3.426 N/A VAL 571.A N ILE 564.A O no hydrogen 3.278 N/A TYR 573.A N VAL 571.A O no hydrogen 3.191 N/A ASN 574.A N ASN 456.A O no hydrogen 3.427 N/A TRP 578.A N ALA 575.A O no hydrogen 2.976 N/A LYS 581.A N TRP 578.A O no hydrogen 2.880 N/A ASN 582.A N TRP 578.A O no hydrogen 3.041 N/A ASN 582.A ND2 ASP 523.A OD1 no hydrogen 3.115 N/A ASP 584.A N LYS 581.A O no hydrogen 2.875 N/A ASN 587.A ND2 SER 388.A O no hydrogen 3.041 N/A VAL 590.A N ASN 587.A OD1 no hydrogen 2.751 N/A THR 591.A OG1 ASN 587.A O no hydrogen 3.503 N/A SER 592.A N ASP 588.A O no hydrogen 3.205 N/A SER 592.A OG ASP 588.A O no hydrogen 3.223 N/A LEU 594.A N VAL 590.A O no hydrogen 2.784 N/A LEU 594.A N THR 591.A O no hydrogen 3.038 N/A ASN 595.A N THR 591.A O no hydrogen 2.932 N/A SER 597.A N LEU 594.A O no hydrogen 2.581 N/A SER 597.A OG MET 378.A O no hydrogen 2.548 N/A SER 598.A N GLY 379.A O no hydrogen 2.873 N/A SER 598.A OG GLY 379.A O no hydrogen 3.369 N/A ASP 599.A N SER 597.A OG no hydrogen 2.946 N/A VAL 602.A N ASP 599.A OD1 no hydrogen 3.468 N/A ALA 603.A N ASP 599.A O no hydrogen 2.529 N/A ASP 604.A N LYS 600.A O no hydrogen 2.410 N/A TRP 606.A N VAL 602.A O no hydrogen 3.315 N/A ARG 611.A NH1 ARG 617.A O no hydrogen 3.153 N/A THR 618.A OG1 ASP 523.A OD1 no hydrogen 3.196 N/A THR 618.A OG1 ASN 582.A OD1 no hydrogen 2.172 N/A VAL 619.A N ASN 582.A O no hydrogen 3.098 N/A LEU 622.A N THR 618.A O no hydrogen 2.723 N/A TYR 623.A N VAL 619.A O no hydrogen 2.753 N/A TYR 623.A OH THR 466.A OG1 no hydrogen 2.657 N/A LYS 624.A N GLY 620.A O no hydrogen 2.977 N/A GLN 626.A N TYR 623.A O no hydrogen 2.459 N/A LEU 627.A N TYR 623.A O no hydrogen 2.656 N/A THR 628.A OG1 LYS 624.A O no hydrogen 2.407 N/A LYS 629.A N GLN 626.A O no hydrogen 2.900 N/A LEU 630.A N GLN 626.A O no hydrogen 3.118 N/A THR 632.A N LYS 629.A O no hydrogen 2.854 N/A THR 632.A OG1 THR 628.A O no hydrogen 2.671 N/A THR 633.A N LYS 629.A O no hydrogen 3.294 N/A THR 633.A N LEU 630.A O no hydrogen 2.795 N/A LEU 634.A N LEU 630.A O no hydrogen 3.048 N/A ASN 636.A N THR 633.A O no hydrogen 2.721 N/A ASN 636.A ND2 THR 632.A O no hydrogen 2.515 N/A THR 637.A N LEU 634.A O no hydrogen 2.727 N/A THR 637.A OG1 SER 171.A OG no hydrogen 3.221 N/A THR 637.A OG1 LEU 634.A O no hydrogen 2.873 N/A ASN 638.A N ASP 169.A O no hydrogen 3.073 N/A ASN 640.A ND2 SER 171.A O no hydrogen 3.010 N/A ASN 640.A ND2 ASN 638.A O no hydrogen 2.690 N/A VAL 642.A N LEU 173.A O no hydrogen 3.098 N/A ARG 643.A N CYS 120.A O no hydrogen 3.123 N/A ARG 643.A NE THR 175.A OG1 no hydrogen 3.343 N/A CYS 644.A SG THR 175.A O no hydrogen 3.687 N/A CYS 644.A SG ASN 185.A OD1 no hydrogen 3.999 N/A CYS 644.A SG VAL 642.A O no hydrogen 2.936 N/A ILE 646.A N GLN 664.A OE1 no hydrogen 3.307 N/A ASN 648.A ND2 ARG 652.A O no hydrogen 2.634 N/A ASN 648.A ND2 LYS 655.A O no hydrogen 2.598 N/A GLU 650.A N ASN 648.A OD1 no hydrogen 2.938 N/A LYS 651.A NZ ASP 230.A OD2 no hydrogen 3.506 N/A ARG 652.A N ASN 648.A OD1 no hydrogen 3.304 N/A ASP 657.A N PRO 647.A O no hydrogen 2.787 N/A LEU 660.A N ASP 657.A OD1 no hydrogen 3.189 N/A VAL 661.A N ASP 657.A O no hydrogen 3.409 N/A LEU 662.A N ALA 658.A O no hydrogen 2.893 N/A GLU 663.A N HIS 659.A O no hydrogen 2.485 N/A GLN 664.A N LEU 660.A O no hydrogen 3.024 N/A GLN 664.A NE2 ILE 646.A O no hydrogen 2.985 N/A GLN 664.A NE2 LEU 660.A O no hydrogen 3.603 N/A LEU 665.A N VAL 661.A O no hydrogen 3.377 N/A CYS 667.A N GLU 663.A O no hydrogen 2.688 N/A CYS 667.A SG GLN 664.A O no hydrogen 3.460 N/A ASN 668.A ND2 GLN 664.A O no hydrogen 3.248 N/A GLY 669.A N ARG 666.A O no hydrogen 3.267 N/A VAL 670.A N LEU 665.A O no hydrogen 3.072 N/A ILE 674.A N VAL 670.A O no hydrogen 3.024 N/A ARG 675.A N LEU 671.A O no hydrogen 3.043 N/A ILE 676.A N GLU 672.A O no hydrogen 3.152 N/A CYS 677.A N GLY 673.A O no hydrogen 3.248 N/A CYS 677.A SG GLY 673.A O no hydrogen 2.745 N/A ARG 678.A N ILE 674.A O no hydrogen 3.047 N/A GLN 679.A N ARG 675.A O no hydrogen 2.506 N/A GLY 680.A N ILE 676.A O no hydrogen 2.899 N/A ASN 683.A N PHE 681.A O no hydrogen 2.459 N/A ARG 684.A NH2 PHE 681.A O no hydrogen 2.863 N/A ILE 685.A N ILE 734.A O no hydrogen 2.801 N/A PHE 690.A N VAL 686.A O no hydrogen 3.250 N/A ARG 691.A N PHE 687.A O no hydrogen 3.065 N/A GLN 692.A N GLN 688.A O no hydrogen 2.832 N/A ARG 693.A N GLU 689.A O no hydrogen 2.953 N/A TYR 694.A N PHE 690.A O no hydrogen 3.048 N/A TYR 694.A OH GLU 745.A OE1 no hydrogen 2.594 N/A GLU 695.A N ARG 693.A O no hydrogen 3.032 N/A ALA 698.A N GLU 695.A O no hydrogen 2.599 N/A LYS 710.A N ASP 708.A OD1 no hydrogen 2.751 N/A ALA 712.A N ASP 708.A O no hydrogen 2.861 N/A CYS 713.A N GLY 709.A O no hydrogen 3.246 N/A ILE 714.A N LYS 710.A O no hydrogen 2.964 N/A LEU 715.A N GLN 711.A O no hydrogen 3.167 N/A MET 716.A N ALA 712.A O no hydrogen 3.256 N/A ILE 717.A N CYS 713.A O no hydrogen 3.062 N/A LYS 718.A N ILE 714.A O no hydrogen 2.960 N/A ALA 719.A N LEU 715.A O no hydrogen 3.151 N/A ALA 719.A N MET 716.A O no hydrogen 3.096 N/A LEU 720.A N MET 716.A O no hydrogen 3.298 N/A GLU 721.A N LYS 718.A O no hydrogen 3.091 N/A LEU 722.A N ILE 717.A O no hydrogen 3.091 N/A ASN 725.A N ASP 723.A O no hydrogen 2.309 N/A LEU 726.A N ASP 723.A O no hydrogen 2.928 N/A ARG 728.A N PHE 735.A O no hydrogen 2.766 N/A GLY 730.A N LYS 733.A O no hydrogen 3.304 N/A SER 732.A N GLU 489.A OE1 no hydrogen 3.062 N/A SER 732.A OG SER 732.A O no hydrogen 2.282 N/A ILE 734.A N ILE 685.A O no hydrogen 2.553 N/A PHE 735.A N ARG 728.A O no hydrogen 2.904 N/A ARG 737.A NE ASN 725.A O no hydrogen 3.259 N/A ARG 737.A NH1 GLN 679.A O no hydrogen 2.933 N/A ARG 737.A NH1 GLY 680.A O no hydrogen 3.065 N/A ARG 737.A NH2 ASN 725.A O no hydrogen 2.627 N/A VAL 740.A N ARG 737.A O no hydrogen 3.316 N/A HIS 743.A N GLY 739.A O no hydrogen 3.152 N/A GLU 745.A N LEU 741.A O no hydrogen 2.900 N/A GLU 746.A N ALA 742.A O no hydrogen 2.871 N/A GLU 747.A N HIS 743.A O no hydrogen 2.937 N/A ARG 748.A N LEU 744.A O no hydrogen 3.041 N/A ARG 748.A NE GLU 745.A OE2 no hydrogen 3.399 N/A ARG 748.A NH2 GLU 745.A OE2 no hydrogen 2.845 N/A ASP 749.A N GLU 745.A O no hydrogen 3.078 N/A LEU 750.A N GLU 746.A O no hydrogen 2.992 N/A LYS 751.A N GLU 747.A O no hydrogen 3.161 N/A LYS 751.A NZ ILE 696.A O no hydrogen 3.251 N/A THR 753.A OG1 LEU 750.A O no hydrogen 2.618 N/A THR 753.A OG1 ASP 754.A OD1 no hydrogen 3.103 N/A ILE 756.A N ILE 752.A O no hydrogen 2.814 N/A ILE 757.A N THR 753.A O no hydrogen 2.582 N/A ALA 758.A N ASP 754.A O no hydrogen 2.565 N/A PHE 759.A N VAL 755.A O no hydrogen 2.900 N/A GLN 760.A N ILE 756.A O no hydrogen 2.855 N/A ALA 761.A N ILE 757.A O no hydrogen 2.985 N/A GLN 762.A N ALA 758.A O no hydrogen 3.180 N/A CYS 763.A N PHE 759.A O no hydrogen 2.802 N/A CYS 763.A SG PHE 759.A O no hydrogen 2.972 N/A ARG 764.A N GLN 760.A O no hydrogen 3.006 N/A GLY 765.A N ALA 761.A O no hydrogen 3.010 N/A TYR 766.A N GLN 762.A O no hydrogen 3.130 N/A LEU 767.A N CYS 763.A O no hydrogen 2.946 N/A ALA 768.A N ARG 764.A O no hydrogen 2.661 N/A ARG 769.A N GLY 765.A O no hydrogen 2.957 N/A LYS 770.A N TYR 766.A O no hydrogen 2.971 N/A LYS 770.A NZ TYR 766.A OH no hydrogen 3.190 N/A ALA 771.A N LEU 767.A O no hydrogen 3.036 N/A PHE 772.A N ALA 768.A O no hydrogen 3.384 N/A LYS 774.A N ALA 771.A O no hydrogen 3.103 N/A LYS 774.A NZ GLN 778.A OE1 no hydrogen 3.002 N/A ARG 775.A N ALA 771.A O no hydrogen 3.253 N/A GLN 776.A N PHE 772.A O no hydrogen 3.383 N/A GLN 777.A N LYS 774.A O no hydrogen 3.225 N/A GLN 778.A N ARG 775.A O no hydrogen 3.145 N/A LEU 779.A N ARG 775.A O no hydrogen 3.452 N/A SER 781.A N GLN 777.A O no hydrogen 3.199 N/A SER 781.A N GLN 778.A O no hydrogen 3.063 N/A SER 781.A OG GLN 777.A O no hydrogen 3.212 N/A