Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7krn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ASN 7.A OD1 no hydrogen 3.240 N/A ASN 7.A N GLN 3.A O no hydrogen 2.909 N/A ARG 8.A N SER 4.A O no hydrogen 2.911 N/A VAL 9.A N PHE 5.A O no hydrogen 2.923 N/A CYS 10.A N LEU 6.A O no hydrogen 2.937 N/A CYS 10.A SG LEU 6.A O no hydrogen 3.409 N/A CYS 10.A SG ALA 15.A O no hydrogen 3.366 N/A THR 18.A N GLN 55.A O no hydrogen 2.865 N/A CYS 20.A SG GLN 55.A OE1 no hydrogen 3.991 N/A THR 24.A OG1 THR 24.A O no hydrogen 2.438 N/A SER 25.A OG THR 22.A O no hydrogen 2.608 N/A SER 25.A OG GLY 23.A O no hydrogen 3.431 N/A THR 26.A OG1 THR 49.A O no hydrogen 3.539 N/A ASP 27.A N CYS 51.A O no hydrogen 3.127 N/A VAL 29.A N LYS 48.A O no hydrogen 2.991 N/A ARG 31.A N PHE 46.A O no hydrogen 2.919 N/A ARG 31.A NH1 TYR 30.A O no hydrogen 3.243 N/A ASP 34.A N ASP 206.A OD1 no hydrogen 3.318 N/A ILE 35.A N GLY 42.A O no hydrogen 2.921 N/A TYR 36.A OH GLU 727.A OE2 no hydrogen 3.118 N/A ASN 37.A N VAL 40.A O no hydrogen 2.939 N/A VAL 40.A N ASN 37.A OD1 no hydrogen 3.171 N/A GLY 42.A N ILE 35.A O no hydrogen 2.905 N/A ALA 44.A N PHE 33.A O no hydrogen 2.932 N/A LYS 48.A N VAL 29.A O no hydrogen 2.913 N/A CYS 51.A SG ASN 50.A O no hydrogen 3.105 N/A CYS 51.A SG ASN 50.A OD1 no hydrogen 3.425 N/A CYS 52.A SG SER 25.A O no hydrogen 3.571 N/A PHE 54.A N PHE 68.A O no hydrogen 3.347 N/A GLN 55.A N THR 18.A O no hydrogen 2.939 N/A GLN 55.A NE2 ILE 64.A O no hydrogen 3.103 N/A GLU 56.A N SER 66.A O no hydrogen 2.975 N/A LYS 57.A N ARG 16.A O no hydrogen 2.872 N/A ASP 58.A N ASN 62.A O no hydrogen 3.131 N/A SER 66.A N ILE 64.A O no hydrogen 3.007 N/A TYR 67.A N LEU 117.A O no hydrogen 2.671 N/A PHE 68.A N PHE 54.A O no hydrogen 3.163 N/A LYS 71.A NZ ASN 77.A OD1 no hydrogen 3.425 N/A LYS 71.A NZ GLU 81.A OE1 no hydrogen 3.042 N/A TYR 78.A N THR 74.A O no hydrogen 3.169 N/A GLN 79.A N PHE 75.A O no hydrogen 2.937 N/A HIS 80.A N SER 76.A O no hydrogen 2.956 N/A GLU 81.A N ASN 77.A O no hydrogen 2.872 N/A GLU 82.A N TYR 78.A O no hydrogen 2.889 N/A THR 83.A N GLN 79.A O no hydrogen 3.015 N/A THR 83.A OG1 HIS 80.A O no hydrogen 2.798 N/A ILE 84.A N HIS 80.A O no hydrogen 2.990 N/A TYR 85.A N GLU 81.A O no hydrogen 2.870 N/A ASN 86.A N GLU 82.A O no hydrogen 2.913 N/A LEU 87.A N THR 83.A O no hydrogen 3.001 N/A LEU 87.A N ILE 84.A O no hydrogen 3.060 N/A LEU 88.A N ILE 84.A O no hydrogen 3.052 N/A CYS 91.A SG LEU 88.A O no hydrogen 3.203 N/A ALA 95.A N TRP 214.A O no hydrogen 2.946 N/A HIS 97.A ND1 ALA 95.A O no hydrogen 2.565 N/A PHE 100.A N HIS 111.A O no hydrogen 2.995 N/A PHE 102.A N VAL 109.A O no hydrogen 2.963 N/A ARG 103.A NH1 GLY 106.A O no hydrogen 3.097 N/A ILE 104.A N ASP 107.A O no hydrogen 2.955 N/A VAL 109.A N PHE 102.A O no hydrogen 2.867 N/A HIS 111.A N PHE 100.A O no hydrogen 2.867 N/A ILE 112.A N LYS 71.A O no hydrogen 3.051 N/A SER 113.A N ASP 98.A O no hydrogen 2.891 N/A SER 113.A OG ASP 98.A O no hydrogen 3.127 N/A ARG 114.A N VAL 69.A O no hydrogen 2.624 N/A ARG 116.A NH1 GLU 56.A OE1 no hydrogen 2.816 N/A ARG 116.A NH2 SER 13.A OG no hydrogen 2.402 N/A LYS 119.A NZ GLU 142.A OE2 no hydrogen 2.395 N/A TYR 120.A OH GLU 142.A OE1 no hydrogen 2.337 N/A MET 122.A N GLN 208.A O no hydrogen 2.601 N/A ASP 124.A N THR 121.A O no hydrogen 2.724 N/A VAL 126.A N MET 122.A O no hydrogen 2.962 N/A TYR 127.A N ALA 123.A O no hydrogen 2.814 N/A ALA 128.A N ASP 124.A O no hydrogen 2.906 N/A LEU 129.A N LEU 125.A O no hydrogen 2.948 N/A ARG 130.A N VAL 126.A O no hydrogen 2.892 N/A ARG 130.A N TYR 127.A O no hydrogen 3.038 N/A ARG 130.A NE LEU 238.A O no hydrogen 3.206 N/A HIS 131.A N TYR 127.A O no hydrogen 2.761 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 3.256 N/A ASN 136.A N ASP 133.A O no hydrogen 2.841 N/A CYS 137.A SG ASP 133.A O no hydrogen 4.044 N/A CYS 137.A SG GLU 134.A O no hydrogen 3.762 N/A THR 139.A OG1 ASP 124.A OD1 no hydrogen 3.557 N/A LEU 144.A N LEU 140.A O no hydrogen 2.918 N/A VAL 145.A N LYS 141.A O no hydrogen 2.923 N/A THR 146.A N GLU 142.A O no hydrogen 2.933 N/A TYR 147.A OH ASP 65.A OD2 no hydrogen 3.246 N/A ASN 148.A N VAL 145.A O no hydrogen 3.149 N/A CYS 149.A N LEU 144.A O no hydrogen 3.156 N/A CYS 149.A SG TYR 147.A O no hydrogen 3.571 N/A ASP 151.A N ASP 151.A OD1 no hydrogen 2.495 N/A TYR 154.A OH ASP 168.A OD2 no hydrogen 2.259 N/A ASN 156.A N ASP 153.A O no hydrogen 2.946 N/A LYS 157.A N TYR 154.A O no hydrogen 3.283 N/A ASN 166.A ND2 ASP 159.A O no hydrogen 3.160 N/A ASN 166.A ND2 TRP 160.A O no hydrogen 3.268 N/A ILE 169.A N ASN 166.A O no hydrogen 3.122 N/A LEU 170.A N PRO 167.A O no hydrogen 2.976 N/A ARG 171.A NE ASP 168.A OD1 no hydrogen 2.906 N/A ARG 171.A NE ASP 168.A OD2 no hydrogen 3.285 N/A ARG 171.A NH2 ASP 168.A OD2 no hydrogen 3.152 N/A VAL 172.A N ASP 168.A O no hydrogen 3.372 N/A TYR 173.A N ILE 169.A O no hydrogen 2.982 N/A TYR 173.A OH TYR 785.A OH no hydrogen 2.593 N/A ALA 174.A N LEU 170.A O no hydrogen 2.791 N/A ASN 175.A N VAL 172.A O no hydrogen 2.973 N/A ASN 175.A ND2 ARG 171.A O no hydrogen 2.509 N/A LEU 176.A N TYR 173.A O no hydrogen 2.914 N/A GLY 177.A N ALA 174.A O no hydrogen 2.898 N/A ARG 179.A N LEU 176.A O no hydrogen 2.935 N/A ARG 179.A NH1 ASN 211.A OD1 no hydrogen 2.978 N/A VAL 180.A N LEU 176.A O no hydrogen 2.990 N/A VAL 180.A N GLY 177.A O no hydrogen 2.929 N/A ARG 181.A N GLY 177.A O no hydrogen 2.954 N/A ARG 181.A NE GLU 178.A OE1 no hydrogen 2.927 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 3.284 N/A ARG 181.A NH1 TYR 284.A OH no hydrogen 2.620 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 2.510 N/A GLN 182.A NE2 GLU 178.A OE2 no hydrogen 3.551 N/A LEU 184.A N VAL 180.A O no hydrogen 2.869 N/A LEU 185.A N ARG 181.A O no hydrogen 2.904 N/A LYS 186.A N GLN 182.A O no hydrogen 2.771 N/A THR 187.A N ALA 183.A O no hydrogen 2.945 N/A THR 187.A OG1 ALA 183.A O no hydrogen 3.516 N/A THR 187.A OG1 TYR 235.A OH no hydrogen 2.866 N/A VAL 188.A N LEU 184.A O no hydrogen 3.167 N/A GLN 189.A N LEU 185.A O no hydrogen 3.052 N/A GLN 189.A N LYS 186.A O no hydrogen 2.991 N/A PHE 190.A N LYS 186.A O no hydrogen 2.855 N/A CYS 191.A N THR 187.A O no hydrogen 2.748 N/A CYS 191.A SG THR 187.A O no hydrogen 3.414 N/A ALA 193.A N GLN 189.A O no hydrogen 2.767 N/A MET 194.A N PHE 190.A O no hydrogen 2.571 N/A ARG 195.A N CYS 191.A O no hydrogen 2.734 N/A ASN 196.A N ASP 192.A O no hydrogen 2.790 N/A ALA 197.A N MET 194.A O no hydrogen 2.950 N/A GLY 198.A N ARG 195.A O no hydrogen 3.255 N/A VAL 200.A N ILE 221.A O no hydrogen 2.866 N/A LEU 203.A N VAL 231.A O no hydrogen 3.132 N/A GLN 208.A N LEU 205.A O no hydrogen 3.348 N/A GLN 208.A NE2 ALA 183.A O no hydrogen 3.334 N/A LEU 210.A N THR 118.A OG1 no hydrogen 2.843 N/A GLY 212.A N ASP 209.A O no hydrogen 2.788 N/A ASN 213.A ND2 ASP 209.A OD2 no hydrogen 3.334 N/A TYR 215.A N ASN 207.A O no hydrogen 3.276 N/A TYR 215.A OH ASP 206.A O no hydrogen 3.370 N/A PHE 217.A N GLU 81.A OE2 no hydrogen 2.488 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 3.120 N/A ASP 219.A N ASP 219.A OD1 no hydrogen 2.608 N/A THR 223.A N GLY 198.A O no hydrogen 3.013 N/A THR 224.A N THR 223.A OG1 no hydrogen 2.452 N/A THR 224.A OG1 SER 227.A OG no hydrogen 2.441 N/A SER 227.A N THR 224.A O no hydrogen 3.227 N/A SER 227.A OG THR 224.A O no hydrogen 2.509 N/A SER 227.A OG THR 224.A OG1 no hydrogen 2.441 N/A VAL 229.A N ILE 199.A O no hydrogen 3.364 N/A VAL 231.A N GLY 201.A O no hydrogen 3.011 N/A TYR 235.A OH GLN 208.A OE1 no hydrogen 2.269 N/A SER 237.A OG ASP 463.A OD1 no hydrogen 2.865 N/A LEU 238.A N TYR 235.A O no hydrogen 3.341 N/A LEU 239.A N TYR 235.A O no hydrogen 3.319 N/A LEU 243.A N MET 240.A O no hydrogen 3.197 N/A LEU 245.A N PRO 241.A O no hydrogen 3.431 N/A THR 246.A N ILE 242.A O no hydrogen 3.188 N/A THR 246.A OG1 ILE 242.A O no hydrogen 2.587 N/A THR 250.A OG1 ARG 247.A O no hydrogen 3.434 N/A SER 253.A N THR 250.A O no hydrogen 2.948 N/A SER 253.A OG VAL 318.A O no hydrogen 3.555 N/A HIS 254.A ND1 ASP 258.A O no hydrogen 3.246 N/A VAL 255.A N PRO 262.A O no hydrogen 3.339 N/A THR 257.A N HIS 254.A O no hydrogen 2.990 N/A THR 257.A OG1 ASP 256.A O no hydrogen 2.621 N/A LYS 261.A N ASP 258.A O no hydrogen 3.085 N/A ILE 264.A N SER 253.A O no hydrogen 3.182 N/A LYS 270.A NZ ASP 272.A O no hydrogen 3.520 N/A ARG 277.A N PHE 273.A O no hydrogen 2.929 N/A ARG 277.A NH2 HIS 345.A NE2 no hydrogen 2.910 N/A LEU 278.A N THR 274.A O no hydrogen 2.963 N/A LYS 279.A N GLU 275.A O no hydrogen 2.923 N/A LEU 280.A N GLU 276.A O no hydrogen 2.946 N/A PHE 281.A N ARG 277.A O no hydrogen 2.952 N/A ASP 282.A N LEU 278.A O no hydrogen 2.923 N/A ARG 283.A N LYS 279.A O no hydrogen 2.966 N/A ARG 283.A N LEU 280.A O no hydrogen 3.111 N/A TYR 284.A N LEU 280.A O no hydrogen 2.950 N/A LYS 286.A NZ ASP 192.A OD2 no hydrogen 3.248 N/A TYR 287.A OH ASP 192.A OD1 no hydrogen 3.030 N/A TRP 288.A NE1 HIS 307.A NE2 no hydrogen 3.003 N/A TYR 292.A OH ASN 312.A OD1 no hydrogen 2.386 N/A ASN 295.A ND2 THR 274.A OG1 no hydrogen 2.731 N/A ASN 298.A N ASN 295.A O no hydrogen 3.045 N/A CYS 299.A N CYS 296.A O no hydrogen 2.974 N/A CYS 299.A SG HIS 293.A ND1 no hydrogen 3.354 N/A CYS 299.A SG CYS 304.A O no hydrogen 3.011 N/A ASP 302.A N ASP 302.A OD1 no hydrogen 2.452 N/A ARG 303.A NH1 GLU 472.A OE2 no hydrogen 3.221 N/A CYS 304.A N ASP 301.A O no hydrogen 3.119 N/A CYS 308.A SG HIS 293.A ND1 no hydrogen 3.761 N/A CYS 308.A SG HIS 293.A O no hydrogen 3.997 N/A CYS 308.A SG CYS 304.A O no hydrogen 3.375 N/A ALA 309.A N ILE 305.A O no hydrogen 2.868 N/A ASN 310.A N LEU 306.A O no hydrogen 2.905 N/A ASN 310.A ND2 HIS 307.A O no hydrogen 3.205 N/A PHE 311.A N HIS 307.A O no hydrogen 3.016 N/A ASN 312.A N CYS 308.A O no hydrogen 2.919 N/A ASN 312.A ND2 PRO 294.A O no hydrogen 2.617 N/A ASN 312.A ND2 GLU 348.A O no hydrogen 3.081 N/A VAL 313.A N ALA 309.A O no hydrogen 2.960 N/A LEU 314.A N PHE 311.A O no hydrogen 3.072 N/A PHE 315.A N PHE 311.A O no hydrogen 3.013 N/A SER 316.A N ASN 312.A O no hydrogen 2.986 N/A SER 316.A OG ASN 312.A O no hydrogen 2.992 N/A SER 316.A OG ARG 347.A O no hydrogen 3.121 N/A THR 317.A N LEU 314.A O no hydrogen 3.169 N/A THR 317.A OG1 LEU 314.A O no hydrogen 3.004 N/A THR 322.A OG1 THR 322.A O no hydrogen 2.291 N/A SER 323.A OG LYS 270.A O no hydrogen 3.559 N/A ARG 329.A N VAL 340.A O no hydrogen 2.876 N/A ILE 331.A N PHE 338.A O no hydrogen 2.877 N/A VAL 333.A N VAL 336.A O no hydrogen 2.905 N/A ASP 334.A N SER 361.A O no hydrogen 2.727 N/A VAL 336.A N VAL 333.A O no hydrogen 2.895 N/A PHE 338.A N ILE 331.A O no hydrogen 2.863 N/A VAL 340.A N ARG 329.A O no hydrogen 2.957 N/A SER 341.A N ASP 375.A OD2 no hydrogen 3.332 N/A SER 341.A OG ASP 375.A OD2 no hydrogen 2.547 N/A THR 342.A N LEU 327.A O no hydrogen 2.915 N/A TYR 344.A N VAL 352.A O no hydrogen 2.868 N/A VAL 352.A N TYR 344.A O no hydrogen 2.902 N/A ASN 354.A N THR 342.A O no hydrogen 2.913 N/A ASN 354.A ND2 VAL 533.A O no hydrogen 3.472 N/A SER 361.A OG ARG 363.A O no hydrogen 3.401 N/A SER 365.A OG GLU 368.A OE2 no hydrogen 3.399 N/A LEU 369.A N SER 365.A O no hydrogen 3.355 N/A LEU 370.A N PHE 366.A O no hydrogen 2.910 N/A VAL 371.A N LYS 367.A O no hydrogen 2.943 N/A TYR 372.A N GLU 368.A O no hydrogen 2.947 N/A ALA 373.A N LEU 369.A O no hydrogen 2.903 N/A ALA 374.A N LEU 370.A O no hydrogen 2.935 N/A ASP 375.A N VAL 371.A O no hydrogen 3.381 N/A HIS 379.A NE2 ALA 373.A O no hydrogen 3.055 N/A ALA 380.A N PRO 376.A O no hydrogen 2.901 N/A ALA 381.A N ALA 377.A O no hydrogen 2.931 N/A SER 382.A N MET 378.A O no hydrogen 2.926 N/A SER 382.A OG MET 378.A O no hydrogen 2.857 N/A GLY 383.A N ALA 380.A O no hydrogen 3.375 N/A ARG 390.A N ASP 388.A OD1 no hydrogen 2.987 N/A ARG 390.A NE ASP 388.A OD1 no hydrogen 2.888 N/A ARG 390.A NH2 ASP 388.A OD2 no hydrogen 2.737 N/A ARG 390.A NH2 TYR 672.A OH no hydrogen 3.539 N/A THR 392.A N ASP 452.A OD1 no hydrogen 3.495 N/A VAL 396.A N LEU 671.A O no hydrogen 2.662 N/A ALA 397.A N LEU 671.A O no hydrogen 3.041 N/A ALA 398.A N ASN 384.A O no hydrogen 3.050 N/A THR 400.A OG1 ASN 402.A O no hydrogen 2.938 N/A ASN 412.A N VAL 842.A O no hydrogen 3.006 N/A ASN 414.A N CYS 840.A O no hydrogen 2.653 N/A ASN 414.A ND2 GLY 839.A O no hydrogen 3.397 N/A LYS 415.A NZ ASP 419.A OD1 no hydrogen 3.520 N/A LYS 415.A NZ ASP 419.A OD2 no hydrogen 2.982 N/A TYR 418.A N ASN 414.A O no hydrogen 3.027 N/A ASP 419.A N LYS 415.A O no hydrogen 2.911 N/A PHE 420.A N ASP 416.A O no hydrogen 2.968 N/A ALA 421.A N PHE 417.A O no hydrogen 2.834 N/A VAL 422.A N TYR 418.A O no hydrogen 2.958 N/A SER 423.A N ASP 419.A O no hydrogen 2.951 N/A LYS 424.A N PHE 420.A O no hydrogen 3.143 N/A PHE 426.A N ALA 421.A O no hydrogen 3.218 N/A SER 431.A OG VAL 433.A O no hydrogen 3.544 N/A SER 432.A OG GLU 874.A OE1 no hydrogen 2.242 N/A LYS 436.A N SER 833.A OG no hydrogen 3.257 N/A GLN 442.A N VAL 408.A O no hydrogen 3.351 N/A GLN 442.A NE2 ASN 550.A O no hydrogen 2.425 N/A ASN 445.A ND2 ASN 445.A O no hydrogen 2.448 N/A ALA 446.A N GLY 444.A O no hydrogen 2.886 N/A SER 449.A N ALA 446.A O no hydrogen 2.938 N/A SER 449.A OG ASN 445.A O no hydrogen 3.352 N/A TYR 451.A N ALA 447.A O no hydrogen 3.428 N/A TYR 453.A N ASP 450.A O no hydrogen 2.943 N/A TYR 454.A N TYR 451.A O no hydrogen 2.951 N/A ARG 455.A N ASP 452.A O no hydrogen 2.922 N/A ARG 455.A NH1 ASP 452.A O no hydrogen 3.155 N/A TYR 456.A N TYR 453.A O no hydrogen 2.948 N/A ASN 457.A N TYR 454.A O no hydrogen 3.301 N/A ASN 457.A ND2 ARG 622.A O no hydrogen 3.215 N/A ASN 457.A ND2 MET 624.A O no hydrogen 3.345 N/A THR 460.A OG1 ASN 789.A OD1 no hydrogen 2.286 N/A MET 461.A N THR 244.A OG1 no hydrogen 2.878 N/A ARG 465.A NE ASP 233.A OD1 no hydrogen 2.874 N/A ARG 465.A NH2 GLN 290.A OE1 no hydrogen 3.399 N/A GLN 466.A NE2 TYR 786.A OH no hydrogen 2.920 N/A LEU 468.A N ILE 464.A O no hydrogen 3.412 N/A PHE 469.A N GLN 466.A O no hydrogen 3.239 N/A VAL 470.A N GLN 466.A O no hydrogen 2.923 N/A VAL 471.A N LEU 467.A O no hydrogen 2.908 N/A VAL 473.A N PHE 469.A O no hydrogen 3.009 N/A VAL 474.A N VAL 470.A O no hydrogen 2.900 N/A ASP 475.A N VAL 471.A O no hydrogen 2.888 N/A LYS 476.A N GLU 472.A O no hydrogen 2.958 N/A LYS 476.A NZ ASN 741.A OD1 no hydrogen 2.243 N/A TYR 477.A N VAL 473.A O no hydrogen 2.980 N/A PHE 478.A N VAL 474.A O no hydrogen 2.979 N/A PHE 478.A N ASP 475.A O no hydrogen 3.099 N/A CYS 485.A SG HIS 640.A ND1 no hydrogen 3.620 N/A ILE 486.A N GLN 568.A O no hydrogen 3.316 N/A ALA 488.A N ASP 523.A OD2 no hydrogen 3.376 N/A GLN 490.A N ASN 487.A O no hydrogen 3.340 N/A ASN 505.A N PHE 502.A O no hydrogen 3.306 N/A ASN 505.A ND2 GLY 501.A O no hydrogen 2.311 N/A ALA 510.A N LYS 498.A O no hydrogen 3.026 N/A ARG 511.A NE ASP 497.A OD1 no hydrogen 2.730 N/A ARG 511.A NH2 ASP 497.A OD1 no hydrogen 2.914 N/A ARG 511.A NH2 ASP 497.A OD2 no hydrogen 2.986 N/A LEU 512.A N LYS 509.A O no hydrogen 3.355 N/A TYR 513.A OH PHE 504.A O no hydrogen 2.909 N/A TYR 514.A N ALA 510.A O no hydrogen 2.952 N/A ASP 515.A N ARG 511.A O no hydrogen 2.898 N/A SER 516.A N LEU 512.A O no hydrogen 2.898 N/A SER 516.A OG LEU 512.A O no hydrogen 2.310 N/A SER 518.A OG ASP 521.A OD1 no hydrogen 2.517 N/A ASP 523.A N TYR 519.A O no hydrogen 2.910 N/A ALA 524.A N GLU 520.A O no hydrogen 2.885 N/A ALA 527.A N ASP 523.A O no hydrogen 2.904 N/A TYR 528.A N LEU 525.A O no hydrogen 3.028 N/A THR 529.A N LEU 525.A O no hydrogen 2.933 N/A THR 529.A OG1 PHE 526.A O no hydrogen 3.348 N/A ARG 531.A N TYR 528.A O no hydrogen 3.120 N/A ARG 531.A NH1 ASP 356.A OD1 no hydrogen 2.833 N/A ARG 531.A NH2 ASP 356.A OD1 no hydrogen 3.188 N/A VAL 533.A N ASN 354.A OD1 no hydrogen 3.279 N/A ILE 534.A N ASN 655.A OD1 no hydrogen 2.819 N/A THR 536.A OG1 ILE 534.A O no hydrogen 3.379 N/A THR 538.A N MET 664.A O no hydrogen 2.987 N/A THR 538.A OG1 GLU 663.A OE1 no hydrogen 2.320 N/A GLN 539.A N GLY 557.A O no hydrogen 2.951 N/A MET 540.A N MET 666.A O no hydrogen 2.976 N/A ASN 541.A N VAL 555.A O no hydrogen 2.976 N/A LYS 543.A N ARG 553.A O no hydrogen 2.874 N/A SER 547.A N PHE 438.A O no hydrogen 3.160 N/A ARG 551.A NH2 ALA 552.A O no hydrogen 3.456 N/A ARG 553.A NH2 LYS 549.A O no hydrogen 3.417 N/A THR 554.A OG1 ASP 450.A OD2 no hydrogen 2.587 N/A VAL 555.A N ASN 541.A O no hydrogen 2.905 N/A GLY 557.A N GLN 539.A O no hydrogen 2.888 N/A SER 559.A OG ILE 537.A O no hydrogen 2.678 N/A CYS 561.A SG THR 536.A OG1 no hydrogen 3.662 N/A SER 562.A N SER 559.A O no hydrogen 2.911 N/A SER 562.A OG GLN 659.A OE1 no hydrogen 2.777 N/A THR 563.A N SER 559.A O no hydrogen 3.154 N/A MET 564.A N ILE 560.A O no hydrogen 2.907 N/A THR 565.A N SER 562.A O no hydrogen 3.370 N/A THR 565.A OG1 SER 562.A O no hydrogen 3.314 N/A ASN 566.A N SER 562.A O no hydrogen 2.925 N/A ARG 567.A N THR 563.A O no hydrogen 2.931 N/A ARG 567.A NH1 TYR 514.A OH no hydrogen 3.119 N/A GLN 568.A NE2 GLN 522.A O no hydrogen 3.119 N/A GLN 568.A NE2 MET 564.A O no hydrogen 3.255 N/A PHE 569.A N THR 565.A O no hydrogen 2.955 N/A HIS 570.A N ASN 566.A O no hydrogen 2.903 N/A HIS 570.A NE2 GLU 656.A OE2 no hydrogen 2.376 N/A LEU 574.A N HIS 570.A O no hydrogen 2.915 N/A LYS 575.A N GLN 571.A O no hydrogen 2.870 N/A SER 576.A N LYS 572.A O no hydrogen 2.921 N/A SER 576.A N LEU 573.A O no hydrogen 3.230 N/A SER 576.A OG ASP 482.A OD1 no hydrogen 3.143 N/A ILE 577.A N LEU 573.A O no hydrogen 2.919 N/A THR 580.A OG1 SER 576.A O no hydrogen 2.988 N/A VAL 586.A N ILE 755.A O no hydrogen 2.916 N/A ILE 587.A N VAL 585.A O no hydrogen 3.041 N/A LYS 591.A NZ GLN 813.A OE1 no hydrogen 2.500 N/A LYS 591.A NZ ASP 863.A OD1 no hydrogen 3.472 N/A TYR 593.A N MET 922.A O no hydrogen 3.054 N/A GLY 595.A N PHE 592.A O no hydrogen 3.025 N/A MET 599.A N GLY 595.A O no hydrogen 3.047 N/A LEU 600.A N TRP 596.A O no hydrogen 2.938 N/A LYS 601.A N HIS 597.A O no hydrogen 2.891 N/A THR 602.A N ASN 598.A O no hydrogen 2.934 N/A THR 602.A N MET 599.A O no hydrogen 3.085 N/A THR 602.A OG1 ASN 598.A O no hydrogen 2.949 N/A THR 602.A OG1 MET 599.A O no hydrogen 3.120 N/A VAL 603.A N MET 599.A O no hydrogen 2.946 N/A SER 605.A N VAL 603.A O no hydrogen 2.735 N/A SER 605.A OG SER 752.A OG no hydrogen 2.584 N/A ASP 606.A N TYR 604.A O no hydrogen 2.702 N/A HIS 611.A N PHE 764.A O no hydrogen 2.952 N/A HIS 611.A ND1 PRO 610.A O no hydrogen 2.413 N/A LEU 612.A N GLU 800.A O no hydrogen 2.958 N/A MET 613.A N VAL 762.A O no hydrogen 2.872 N/A GLY 614.A N TRP 798.A O no hydrogen 2.937 N/A TRP 615.A NE1 TYR 617.A OH no hydrogen 2.645 N/A TRP 615.A NE1 ASN 693.A OD1 no hydrogen 3.203 N/A TYR 617.A OH ASN 693.A OD1 no hydrogen 2.197 N/A ALA 623.A N LYS 619.A O no hydrogen 3.066 N/A ASN 626.A ND2 PRO 675.A O no hydrogen 3.368 N/A ARG 629.A N PRO 625.A O no hydrogen 3.361 N/A ILE 630.A N ASN 626.A O no hydrogen 2.962 N/A MET 631.A N MET 627.A O no hydrogen 2.907 N/A ALA 632.A N LEU 628.A O no hydrogen 2.885 N/A SER 633.A N ARG 629.A O no hydrogen 2.941 N/A SER 633.A OG GLU 656.A OE1 no hydrogen 2.277 N/A LEU 634.A N ILE 630.A O no hydrogen 2.907 N/A LEU 634.A N MET 631.A O no hydrogen 3.231 N/A VAL 635.A N MET 631.A O no hydrogen 2.936 N/A LEU 636.A N ALA 632.A O no hydrogen 2.973 N/A ARG 638.A NH1 GLU 472.A OE1 no hydrogen 3.548 N/A LYS 639.A NZ PHE 478.A O no hydrogen 2.447 N/A THR 641.A N LYS 639.A O no hydrogen 2.948 N/A CYS 643.A SG HIS 640.A ND1 no hydrogen 2.697 N/A LEU 646.A N SER 645.A OG no hydrogen 2.395 N/A ARG 649.A N LEU 646.A O no hydrogen 2.998 N/A ARG 649.A NH1 HIS 640.A O no hydrogen 3.469 N/A PHE 650.A N LEU 646.A O no hydrogen 2.939 N/A TYR 651.A OH HIS 353.A O no hydrogen 2.965 N/A ARG 652.A NH1 THR 529.A OG1 no hydrogen 2.722 N/A ARG 652.A NH1 THR 565.A OG1 no hydrogen 3.010 N/A ALA 654.A N PHE 650.A O no hydrogen 2.878 N/A ASN 655.A N TYR 651.A O no hydrogen 2.864 N/A ASN 655.A ND2 ASN 532.A O no hydrogen 3.054 N/A GLU 656.A N ARG 652.A O no hydrogen 2.918 N/A CYS 657.A N LEU 653.A O no hydrogen 2.893 N/A CYS 657.A SG GLU 348.A OE1 no hydrogen 3.597 N/A ALA 658.A N ASN 655.A O no hydrogen 3.274 N/A GLN 659.A N ASN 655.A O no hydrogen 2.895 N/A GLN 659.A NE2 ILE 534.A O no hydrogen 3.023 N/A VAL 660.A N GLU 656.A O no hydrogen 2.921 N/A SER 662.A N CYS 657.A O no hydrogen 3.212 N/A VAL 665.A N TYR 672.A O no hydrogen 2.891 N/A MET 666.A N THR 538.A O no hydrogen 2.910 N/A CYS 667.A N SER 670.A O no hydrogen 2.953 N/A CYS 667.A SG ALA 447.A O no hydrogen 3.104 N/A SER 670.A OG CYS 667.A O no hydrogen 3.432 N/A SER 670.A OG GLY 668.A O no hydrogen 3.294 N/A LEU 671.A N ALA 397.A O no hydrogen 2.882 N/A TYR 672.A N VAL 665.A O no hydrogen 2.937 N/A TYR 672.A OH ASP 388.A OD2 no hydrogen 2.217 N/A LYS 674.A N GLU 663.A O no hydrogen 2.933 N/A LYS 674.A NZ VAL 660.A O no hydrogen 3.430 N/A LYS 674.A NZ LEU 661.A O no hydrogen 2.599 N/A LYS 674.A NZ GLY 676.A O no hydrogen 2.763 N/A LYS 674.A NZ GLY 677.A O no hydrogen 2.281 N/A GLY 681.A N SER 679.A O no hydrogen 2.564 N/A ASP 682.A N ASP 682.A OD1 no hydrogen 2.399 N/A THR 685.A OG1 ASP 682.A OD1 no hydrogen 2.237 N/A ASN 689.A N THR 685.A O no hydrogen 2.890 N/A SER 690.A N ALA 686.A O no hydrogen 2.919 N/A SER 690.A OG ALA 686.A O no hydrogen 2.773 N/A VAL 691.A N TYR 687.A O no hydrogen 2.954 N/A PHE 692.A N ALA 688.A O no hydrogen 2.992 N/A ASN 693.A N ASN 689.A O no hydrogen 2.883 N/A ILE 694.A N SER 690.A O no hydrogen 2.948 N/A CYS 695.A N VAL 691.A O no hydrogen 2.910 N/A GLN 696.A N PHE 692.A O no hydrogen 2.947 N/A GLN 696.A NE2 GLN 787.A OE1 no hydrogen 2.833 N/A ALA 697.A N ASN 693.A O no hydrogen 2.984 N/A VAL 698.A N ILE 694.A O no hydrogen 2.912 N/A THR 699.A N CYS 695.A O no hydrogen 2.888 N/A THR 699.A OG1 CYS 695.A O no hydrogen 2.732 N/A ALA 700.A N GLN 696.A O no hydrogen 2.914 N/A ASN 701.A N ALA 697.A O no hydrogen 2.978 N/A ASN 701.A ND2 ALA 697.A O no hydrogen 3.586 N/A VAL 702.A N VAL 698.A O no hydrogen 2.890 N/A ASN 703.A N THR 699.A O no hydrogen 2.926 N/A ASN 703.A ND2 TYR 786.A OH no hydrogen 2.840 N/A ALA 704.A N ALA 700.A O no hydrogen 2.908 N/A LEU 705.A N ASN 701.A O no hydrogen 2.924 N/A LEU 706.A N VAL 702.A O no hydrogen 2.930 N/A SER 707.A N ASN 703.A O no hydrogen 2.917 N/A THR 708.A OG1 ALA 704.A O no hydrogen 2.840 N/A THR 708.A OG1 LEU 705.A O no hydrogen 3.389 N/A THR 708.A OG1 GLY 772.A O no hydrogen 3.321 N/A ASN 711.A N ASP 709.A O no hydrogen 2.674 N/A LYS 716.A NZ LYS 716.A O no hydrogen 2.590 N/A TYR 717.A OH GLU 742.A OE2 no hydrogen 2.729 N/A ARG 719.A N ASP 715.A O no hydrogen 3.215 N/A ARG 719.A NH2 ILE 713.A O no hydrogen 2.803 N/A LEU 721.A N TYR 717.A O no hydrogen 2.902 N/A GLN 722.A N VAL 718.A O no hydrogen 2.885 N/A GLN 722.A NE2 LEU 706.A O no hydrogen 3.480 N/A HIS 723.A N ARG 719.A O no hydrogen 2.944 N/A HIS 723.A NE2 ASN 37.A O no hydrogen 2.825 N/A ARG 724.A N ASN 720.A O no hydrogen 2.927 N/A LEU 725.A N LEU 721.A O no hydrogen 2.827 N/A TYR 726.A N GLN 722.A O no hydrogen 3.012 N/A TYR 726.A OH ASP 34.A OD1 no hydrogen 3.181 N/A CYS 728.A N ARG 724.A O no hydrogen 2.891 N/A CYS 728.A SG ASP 736.A OD2 no hydrogen 3.201 N/A LEU 729.A N LEU 725.A O no hydrogen 2.907 N/A LEU 729.A N TYR 726.A O no hydrogen 3.217 N/A TYR 730.A N TYR 726.A O no hydrogen 2.978 N/A VAL 740.A N ASP 736.A O no hydrogen 2.967 N/A ASN 741.A N THR 737.A O no hydrogen 2.939 N/A GLU 742.A N ASP 738.A O no hydrogen 2.959 N/A PHE 743.A N PHE 739.A O no hydrogen 2.858 N/A TYR 744.A N VAL 740.A O no hydrogen 2.924 N/A ALA 745.A N ASN 741.A O no hydrogen 2.921 N/A TYR 746.A N GLU 742.A O no hydrogen 2.934 N/A TYR 746.A OH LEU 773.A O no hydrogen 2.453 N/A LEU 747.A N PHE 743.A O no hydrogen 2.889 N/A ARG 748.A N TYR 744.A O no hydrogen 2.947 N/A LYS 749.A N ALA 745.A O no hydrogen 2.933 N/A LYS 749.A N TYR 746.A O no hydrogen 3.298 N/A LYS 749.A NZ ASP 606.A O no hydrogen 3.183 N/A LYS 749.A NZ ASP 606.A OD2 no hydrogen 2.430 N/A HIS 750.A N TYR 746.A O no hydrogen 2.931 N/A PHE 751.A N LEU 747.A O no hydrogen 2.682 N/A SER 752.A OG SER 605.A OG no hydrogen 2.584 N/A SER 752.A OG ARG 748.A O no hydrogen 3.288 N/A MET 754.A N VAL 761.A O no hydrogen 2.883 N/A ILE 755.A N THR 584.A O no hydrogen 2.915 N/A LEU 756.A N ASP 759.A O no hydrogen 2.909 N/A SER 757.A OG LEU 756.A O no hydrogen 2.729 N/A ASP 758.A N LEU 756.A O no hydrogen 2.720 N/A ASP 759.A N LEU 756.A O no hydrogen 2.937 N/A VAL 761.A N MET 754.A O no hydrogen 2.939 N/A VAL 762.A N MET 613.A O no hydrogen 2.909 N/A CYS 763.A N SER 752.A O no hydrogen 2.910 N/A ASN 765.A N HIS 750.A O no hydrogen 3.210 N/A SER 766.A N ASN 609.A O no hydrogen 2.713 N/A ALA 769.A N ASN 765.A O no hydrogen 3.279 N/A SER 770.A N SER 766.A O no hydrogen 2.927 N/A GLN 771.A N THR 767.A O no hydrogen 2.955 N/A GLY 772.A N TYR 768.A O no hydrogen 2.704 N/A LEU 773.A N TYR 768.A O no hydrogen 3.073 N/A LYS 778.A NZ SER 776.A OG no hydrogen 2.724 N/A LYS 781.A N ILE 777.A O no hydrogen 2.909 N/A LYS 781.A NZ GLU 134.A OE1 no hydrogen 2.860 N/A LYS 781.A NZ GLU 794.A OE1 no hydrogen 3.549 N/A SER 782.A N LYS 778.A O no hydrogen 3.023 N/A SER 782.A OG PHE 132.A O no hydrogen 2.742 N/A SER 782.A OG LYS 778.A O no hydrogen 3.318 N/A VAL 783.A N ASN 779.A O no hydrogen 2.913 N/A LEU 784.A N PHE 780.A O no hydrogen 2.910 N/A TYR 785.A N LYS 781.A O no hydrogen 2.934 N/A TYR 785.A OH TYR 161.A O no hydrogen 3.317 N/A TYR 785.A OH TYR 173.A OH no hydrogen 2.593 N/A TYR 786.A N SER 782.A O no hydrogen 3.048 N/A GLN 787.A N VAL 783.A O no hydrogen 2.907 N/A ASN 788.A ND2 GLN 696.A OE1 no hydrogen 3.056 N/A VAL 790.A N LEU 784.A O no hydrogen 3.202 N/A LYS 796.A N SER 793.A O no hydrogen 3.316 N/A CYS 797.A SG SER 793.A O no hydrogen 4.040 N/A TRP 798.A N GLY 614.A O no hydrogen 2.950 N/A GLU 800.A N LEU 612.A O no hydrogen 2.875 N/A LYS 805.A NZ ASP 802.A OD2 no hydrogen 3.460 N/A GLY 806.A N LEU 803.A O no hydrogen 3.334 N/A SER 812.A OG SER 812.A O no hydrogen 2.311 N/A GLN 813.A N PHE 810.A O no hydrogen 3.183 N/A MET 816.A N LEU 827.A O no hydrogen 2.963 N/A VAL 818.A N VAL 825.A O no hydrogen 2.913 N/A GLN 820.A N ASP 823.A O no hydrogen 2.898 N/A GLN 820.A NE2 TYR 923.A O no hydrogen 2.765 N/A ASP 823.A N GLN 820.A O no hydrogen 2.943 N/A VAL 825.A N VAL 818.A O no hydrogen 2.929 N/A TYR 826.A OH LEU 803.A O no hydrogen 2.806 N/A LEU 827.A N MET 816.A O no hydrogen 2.886 N/A TYR 829.A N HIS 814.A O no hydrogen 2.870 N/A SER 833.A OG GLU 434.A O no hydrogen 2.597 N/A ARG 834.A N ASP 831.A O no hydrogen 2.902 N/A GLY 837.A N SER 833.A O no hydrogen 2.877 N/A ALA 838.A N ARG 834.A O no hydrogen 2.876 N/A GLY 839.A N ILE 835.A O no hydrogen 2.947 N/A GLY 839.A N LEU 836.A O no hydrogen 3.071 N/A CYS 840.A N LEU 836.A O no hydrogen 2.911 N/A CYS 840.A SG LEU 836.A O no hydrogen 3.252 N/A PHE 841.A N GLY 837.A O no hydrogen 3.364 N/A LYS 847.A N ASP 844.A O no hydrogen 2.704 N/A LYS 847.A NZ ASP 843.A OD1 no hydrogen 3.050 N/A ASP 849.A N VAL 846.A O no hydrogen 3.222 N/A THR 851.A N ASP 849.A O no hydrogen 3.107 N/A MET 853.A N GLY 850.A O no hydrogen 2.563 N/A VAL 858.A N ILE 854.A O no hydrogen 2.959 N/A SER 859.A OG GLU 855.A O no hydrogen 3.540 N/A LEU 860.A N ARG 856.A O no hydrogen 2.979 N/A ALA 861.A N PHE 857.A O no hydrogen 2.872 N/A ILE 862.A N VAL 858.A O no hydrogen 2.891 N/A ASP 863.A N SER 859.A O no hydrogen 2.970 N/A ALA 864.A N LEU 860.A O no hydrogen 2.920 N/A ALA 864.A N ALA 861.A O no hydrogen 3.212 N/A LEU 867.A N ALA 864.A O no hydrogen 3.420 N/A THR 868.A N TYR 865.A O no hydrogen 3.041 N/A HIS 870.A N LEU 867.A O no hydrogen 2.965 N/A HIS 870.A NE2 TYR 829.A OH no hydrogen 2.965 N/A ASN 872.A N HIS 870.A ND1 no hydrogen 3.259 N/A GLN 873.A N ASN 872.A OD1 no hydrogen 2.472 N/A ASP 877.A N GLN 873.A O no hydrogen 2.958 N/A VAL 878.A N TYR 875.A O no hydrogen 3.211 N/A LEU 881.A N ASP 877.A O no hydrogen 2.889 N/A TYR 882.A N VAL 878.A O no hydrogen 2.984 N/A TYR 882.A OH ILE 835.A O no hydrogen 2.547 N/A LEU 883.A N PHE 879.A O no hydrogen 2.926 N/A GLN 884.A N HIS 880.A O no hydrogen 2.944 N/A TYR 885.A N LEU 881.A O no hydrogen 2.884 N/A ILE 886.A N TYR 882.A O no hydrogen 2.901 N/A ARG 887.A N LEU 883.A O no hydrogen 2.975 N/A LYS 888.A N GLN 884.A O no hydrogen 2.956 N/A LEU 889.A N TYR 885.A O no hydrogen 2.844 N/A HIS 890.A N ILE 886.A O no hydrogen 2.939 N/A ASP 891.A N ARG 887.A O no hydrogen 2.966 N/A GLU 892.A N LYS 888.A O no hydrogen 2.973 N/A LEU 893.A N LEU 889.A O no hydrogen 2.859 N/A THR 894.A N HIS 890.A O no hydrogen 2.933 N/A THR 894.A OG1 HIS 890.A O no hydrogen 3.293 N/A THR 894.A OG1 ASP 891.A O no hydrogen 2.813 N/A GLY 895.A N ASP 891.A O no hydrogen 2.972 N/A HIS 896.A N GLU 892.A O no hydrogen 2.947 N/A MET 897.A N LEU 893.A O no hydrogen 2.866 N/A LEU 898.A N THR 894.A O no hydrogen 2.864 N/A ASP 899.A N GLY 895.A O no hydrogen 2.970 N/A MET 900.A N HIS 896.A O no hydrogen 2.885 N/A THR 910.A OG1 ASP 908.A OD1 no hydrogen 2.806 N/A SER 911.A OG SER 911.A O no hydrogen 2.486 N/A TYR 919.A OH TYR 913.A O no hydrogen 2.244 N/A GLU 920.A N PRO 916.A O no hydrogen 2.897 N/A ALA 921.A N GLU 917.A O no hydrogen 2.946 N/A MET 922.A N TYR 919.A O no hydrogen 3.070 N/A TYR 923.A N GLU 920.A O no hydrogen 3.351 N/A TYR 923.A OH ILE 862.A O no hydrogen 2.968 N/A