Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7d58_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 ILE 2.A O no hydrogen 3.093 N/A VAL 5.A N GLU 621.A OE1 no hydrogen 3.258 N/A LYS 8.A NZ GLU 621.A OE2 no hydrogen 3.097 N/A ARG 10.A N GLU 7.A O no hydrogen 3.188 N/A ARG 10.A NH2 GLU 7.A OE2 no hydrogen 2.871 N/A PHE 15.A N LEU 11.A O no hydrogen 2.883 N/A LEU 16.A N LEU 12.A O no hydrogen 2.912 N/A LYS 17.A N PRO 13.A O no hydrogen 2.914 N/A VAL 18.A N PHE 15.A O no hydrogen 3.287 N/A LYS 19.A N PHE 15.A O no hydrogen 3.300 N/A LYS 23.A NZ LEU 16.A O no hydrogen 3.424 N/A HIS 25.A N VAL 22.A O no hydrogen 3.116 N/A ASP 27.A N LYS 23.A O no hydrogen 2.886 N/A SER 28.A N GLN 24.A O no hydrogen 2.912 N/A ASN 30.A N ILE 26.A O no hydrogen 2.888 N/A TYR 31.A N ASP 27.A O no hydrogen 3.081 N/A PHE 32.A N PHE 29.A O no hydrogen 3.249 N/A ILE 33.A N PHE 29.A O no hydrogen 3.192 N/A ASN 34.A ND2 ASN 30.A O no hydrogen 2.555 N/A ILE 37.A N PHE 32.A O no hydrogen 3.087 N/A LYS 38.A NZ ASN 34.A O no hydrogen 2.377 N/A LYS 39.A N VAL 35.A O no hydrogen 3.258 N/A ILE 40.A N GLU 36.A O no hydrogen 2.922 N/A MET 41.A N ILE 37.A O no hydrogen 3.398 N/A LYS 42.A N LYS 38.A O no hydrogen 2.891 N/A ALA 43.A N LYS 39.A O no hydrogen 2.907 N/A ASN 44.A N ILE 40.A O no hydrogen 3.146 N/A THR 48.A OG1 SER 49.A O no hydrogen 3.382 N/A THR 48.A OG1 TRP 55.A O no hydrogen 2.225 N/A SER 49.A OG ASP 363.A OD1 no hydrogen 3.306 N/A ALA 51.A N SER 49.A OG no hydrogen 3.208 N/A MET 54.A N ASP 52.A O no hydrogen 2.582 N/A LEU 57.A N VAL 47.A O no hydrogen 3.474 N/A LYS 58.A N GLU 100.A O no hydrogen 2.874 N/A TYR 63.A N THR 96.A O no hydrogen 3.298 N/A GLY 65.A N PRO 94.A O no hydrogen 3.086 N/A GLU 71.A N VAL 75.A O no hydrogen 3.074 N/A THR 76.A OG1 THR 76.A O no hydrogen 2.579 N/A ARG 77.A NH1 GLU 83.A OE1 no hydrogen 2.973 N/A CYS 84.A N SER 80.A O no hydrogen 3.323 N/A CYS 84.A SG SER 80.A O no hydrogen 3.811 N/A ARG 85.A N PRO 81.A O no hydrogen 2.897 N/A ARG 85.A NH1 TYR 150.A OH no hydrogen 3.140 N/A ARG 85.A NH2 GLU 142.A OE2 no hydrogen 3.268 N/A LEU 86.A N HIS 82.A O no hydrogen 2.920 N/A ARG 87.A N GLU 83.A O no hydrogen 2.991 N/A ARG 87.A NE SER 835.A O no hydrogen 2.985 N/A ARG 87.A NH1 GLU 83.A OE2 no hydrogen 3.174 N/A ARG 87.A NH2 SER 835.A O no hydrogen 3.424 N/A MET 89.A N CYS 84.A O no hydrogen 3.133 N/A THR 90.A OG1 ILE 152.A O no hydrogen 3.071 N/A TYR 91.A N ILE 152.A O no hydrogen 3.065 N/A ALA 93.A N MET 118.A O no hydrogen 2.890 N/A ILE 95.A N GLY 116.A O no hydrogen 2.885 N/A THR 96.A N TYR 63.A O no hydrogen 2.921 N/A VAL 97.A N LEU 113.A O no hydrogen 2.895 N/A ASP 98.A N ASN 61.A O no hydrogen 2.977 N/A GLU 100.A N LYS 58.A O no hydrogen 2.970 N/A TYR 101.A N ILE 108.A O no hydrogen 2.904 N/A THR 102.A N TYR 56.A O no hydrogen 3.383 N/A ARG 103.A NE GLN 373.A OE1 no hydrogen 2.617 N/A GLN 106.A N GLN 106.A OE1 no hydrogen 2.690 N/A GLN 106.A NE2 GLN 373.A OE1 no hydrogen 3.303 N/A ILE 108.A N TYR 101.A O no hydrogen 2.880 N/A ASN 111.A ND2 ASP 98.A OD1 no hydrogen 3.119 N/A ASN 111.A ND2 ASP 98.A OD2 no hydrogen 2.710 N/A LEU 113.A N VAL 97.A O no hydrogen 2.698 N/A ILE 115.A N ILE 95.A O no hydrogen 3.410 N/A ARG 117.A NH2 ASP 68.A O no hydrogen 2.686 N/A MET 118.A N ALA 93.A O no hydrogen 2.886 N/A ILE 120.A N TYR 91.A O no hydrogen 3.451 N/A ARG 123.A NH2 PRO 144.A O no hydrogen 2.797 N/A SER 124.A OG ASN 30.A OD1 no hydrogen 2.912 N/A SER 125.A N ASN 30.A OD1 no hydrogen 2.992 N/A SER 125.A OG ASN 30.A OD1 no hydrogen 2.947 N/A CYS 127.A SG TYR 91.A OH no hydrogen 3.022 N/A CYS 127.A SG LEU 122.A O no hydrogen 3.162 N/A LYS 132.A NZ VAL 128.A O no hydrogen 3.379 N/A THR 133.A OG1 GLU 136.A OE2 no hydrogen 3.330 N/A GLU 136.A N THR 133.A OG1 no hydrogen 3.397 N/A PHE 137.A N THR 133.A O no hydrogen 2.610 N/A ALA 138.A N PRO 134.A O no hydrogen 2.911 N/A LYS 139.A N GLU 136.A O no hydrogen 3.107 N/A GLU 142.A N PHE 137.A O no hydrogen 3.335 N/A ASP 146.A N CYS 143.A O no hydrogen 3.311 N/A TYR 150.A OH ASP 146.A OD2 no hydrogen 2.589 N/A PHE 151.A N LYS 158.A O no hydrogen 2.515 N/A VAL 153.A N VAL 156.A O no hydrogen 3.163 N/A GLY 155.A N MET 89.A O no hydrogen 3.106 N/A VAL 156.A N VAL 153.A O no hydrogen 3.414 N/A LYS 158.A N PHE 151.A O no hydrogen 2.587 N/A LYS 158.A NZ SER 394.A O no hydrogen 2.915 N/A VAL 159.A N GLN 412.A O no hydrogen 2.886 N/A LEU 161.A N VAL 410.A O no hydrogen 3.095 N/A GLN 163.A N GLU 337.A O no hydrogen 2.955 N/A GLU 164.A N SER 430.A O no hydrogen 2.975 N/A GLN 165.A N ARG 335.A O no hydrogen 2.902 N/A SER 167.A OG LYS 168.A O no hydrogen 3.316 N/A ASN 169.A N VAL 185.A O no hydrogen 3.090 N/A ARG 170.A NH1 ILE 171.A O no hydrogen 3.231 N/A ARG 170.A NH1 ASP 326.A OD2 no hydrogen 2.682 N/A ILE 172.A N ALA 183.A O no hydrogen 2.932 N/A GLU 174.A N VAL 181.A O no hydrogen 2.949 N/A ASP 176.A N GLY 179.A O no hydrogen 2.636 N/A VAL 181.A N GLU 174.A O no hydrogen 2.873 N/A GLY 182.A N MET 198.A O no hydrogen 2.950 N/A ALA 183.A N ILE 172.A O no hydrogen 2.819 N/A SER 184.A N THR 196.A O no hydrogen 2.874 N/A THR 186.A N SER 194.A O no hydrogen 2.887 N/A THR 186.A OG1 HIS 294.A ND1 no hydrogen 3.190 N/A SER 187.A N ASN 169.A OD1 no hydrogen 3.403 N/A SER 187.A OG THR 186.A O no hydrogen 2.694 N/A SER 194.A N THR 186.A O no hydrogen 2.916 N/A SER 194.A OG ILE 291.A O no hydrogen 3.233 N/A THR 196.A N SER 184.A O no hydrogen 2.955 N/A ASN 197.A N ARG 208.A O no hydrogen 2.985 N/A MET 198.A N GLY 182.A O no hydrogen 2.833 N/A ALA 199.A N TYR 206.A O no hydrogen 2.888 N/A LYS 201.A N ARG 204.A O no hydrogen 3.153 N/A LYS 201.A NZ ASP 215.A OD2 no hydrogen 3.360 N/A ARG 204.A N LYS 201.A O no hydrogen 2.944 N/A ARG 204.A NH2 GLN 202.A OE1 no hydrogen 3.471 N/A TYR 206.A N ALA 199.A O no hydrogen 2.921 N/A LEU 207.A N ILE 216.A O no hydrogen 3.503 N/A ARG 208.A N ASN 197.A O no hydrogen 2.835 N/A ARG 208.A NE ASN 197.A OD1 no hydrogen 3.362 N/A ARG 208.A NH1 ASN 197.A OD1 no hydrogen 3.513 N/A THR 211.A OG1 ASN 210.A OD1 no hydrogen 3.326 N/A LEU 212.A N HIS 209.A O no hydrogen 3.008 N/A SER 213.A OG LYS 272.A O no hydrogen 2.784 N/A ILE 221.A N PRO 217.A O no hydrogen 3.113 N/A PHE 222.A N ILE 218.A O no hydrogen 2.888 N/A LYS 223.A N VAL 219.A O no hydrogen 2.900 N/A LYS 223.A NZ GLU 228.A O no hydrogen 2.722 N/A ALA 224.A N ILE 220.A O no hydrogen 2.891 N/A MET 225.A N ILE 221.A O no hydrogen 2.903 N/A GLY 226.A N PHE 222.A O no hydrogen 3.289 N/A VAL 234.A N ASP 230.A O no hydrogen 3.409 N/A GLN 235.A N GLN 231.A O no hydrogen 2.921 N/A MET 236.A N GLU 232.A O no hydrogen 2.867 N/A ILE 237.A N ILE 233.A O no hydrogen 2.924 N/A GLY 238.A N VAL 234.A O no hydrogen 2.814 N/A THR 239.A OG1 THR 239.A O no hydrogen 2.539 N/A PHE 247.A N MET 244.A O no hydrogen 3.116 N/A GLY 248.A N MET 244.A O no hydrogen 2.895 N/A LEU 251.A N PHE 247.A O no hydrogen 3.358 N/A GLU 252.A N GLY 248.A O no hydrogen 2.906 N/A GLU 253.A N PRO 249.A O no hydrogen 2.927 N/A CYS 254.A N SER 250.A O no hydrogen 2.909 N/A GLN 255.A N LEU 251.A O no hydrogen 2.912 N/A LYS 256.A N GLU 252.A O no hydrogen 2.896 N/A ALA 257.A N GLU 253.A O no hydrogen 3.427 N/A ILE 259.A N ALA 257.A O no hydrogen 2.763 N/A PHE 260.A N GLN 264.A OE1 no hydrogen 3.157 N/A THR 261.A OG1 GLN 264.A OE1 no hydrogen 2.816 N/A ALA 265.A N THR 261.A O no hydrogen 3.207 N/A LEU 266.A N GLN 262.A O no hydrogen 2.905 N/A LYS 267.A N MET 263.A O no hydrogen 2.889 N/A TYR 268.A N GLN 264.A O no hydrogen 2.909 N/A ILE 269.A N ALA 265.A O no hydrogen 2.910 N/A GLY 270.A N LEU 266.A O no hydrogen 2.889 N/A ASN 271.A N LYS 267.A O no hydrogen 2.901 N/A LYS 272.A N TYR 268.A O no hydrogen 2.944 N/A LYS 272.A NZ GLU 214.A OE2 no hydrogen 3.076 N/A VAL 273.A N ILE 269.A O no hydrogen 2.688 N/A ARG 274.A NH1 ARG 274.A O no hydrogen 3.200 N/A GLU 282.A N THR 278.A O no hydrogen 3.079 N/A ALA 283.A N LYS 279.A O no hydrogen 2.909 N/A ARG 284.A N ILE 280.A O no hydrogen 2.895 N/A ARG 284.A NH1 GLU 281.A OE2 no hydrogen 2.463 N/A GLU 285.A N GLU 281.A O no hydrogen 2.893 N/A LEU 286.A N GLU 282.A O no hydrogen 2.914 N/A LEU 287.A N ALA 283.A O no hydrogen 3.124 N/A SER 289.A N GLU 285.A O no hydrogen 3.483 N/A THR 290.A OG1 GLU 285.A O no hydrogen 3.510 N/A THR 290.A OG1 LEU 286.A O no hydrogen 3.231 N/A LYS 305.A NZ LEU 292.A O no hydrogen 2.839 N/A CYS 306.A N PHE 302.A O no hydrogen 2.936 N/A CYS 306.A SG PHE 302.A O no hydrogen 3.525 N/A CYS 306.A SG ARG 303.A O no hydrogen 3.010 N/A ILE 307.A N ARG 303.A O no hydrogen 2.915 N/A TYR 308.A N ALA 304.A O no hydrogen 2.915 N/A THR 309.A N LYS 305.A O no hydrogen 2.893 N/A THR 309.A OG1 LYS 305.A O no hydrogen 2.884 N/A ALA 310.A N CYS 306.A O no hydrogen 2.858 N/A VAL 311.A N ILE 307.A O no hydrogen 2.916 N/A MET 312.A N TYR 308.A O no hydrogen 2.943 N/A VAL 313.A N THR 309.A O no hydrogen 2.880 N/A ARG 314.A N ALA 310.A O no hydrogen 2.877 N/A ARG 315.A N VAL 311.A O no hydrogen 2.903 N/A ARG 315.A NH1 ASP 554.A OD2 no hydrogen 2.754 N/A ARG 315.A NH2 ASP 554.A OD2 no hydrogen 2.923 N/A VAL 316.A N MET 312.A O no hydrogen 2.936 N/A ILE 317.A N VAL 313.A O no hydrogen 2.854 N/A LEU 318.A N ARG 314.A O no hydrogen 2.912 N/A ALA 319.A N ARG 315.A O no hydrogen 2.899 N/A GLN 320.A N VAL 316.A O no hydrogen 2.710 N/A GLY 321.A N GLN 320.A OE1 no hydrogen 3.289 N/A ASP 322.A N ALA 319.A O no hydrogen 3.251 N/A LYS 324.A NZ LEU 318.A O no hydrogen 3.522 N/A ASP 326.A N VAL 173.A O no hydrogen 3.064 N/A ARG 328.A NH2 GLU 174.A OE2 no hydrogen 3.068 N/A LYS 334.A NZ ARG 328.A O no hydrogen 3.559 N/A ARG 335.A N GLN 165.A O no hydrogen 2.897 N/A ARG 335.A NE ASP 562.A OD2 no hydrogen 2.836 N/A ARG 335.A NH1 GLY 332.A O no hydrogen 2.977 N/A ARG 335.A NH2 ASP 562.A OD1 no hydrogen 3.437 N/A ARG 335.A NH2 ASP 562.A OD2 no hydrogen 2.913 N/A LEU 336.A N GLY 564.A O no hydrogen 3.524 N/A GLN 341.A N GLN 341.A OE1 no hydrogen 2.620 N/A LEU 343.A N ALA 339.A O no hydrogen 3.297 N/A SER 344.A N GLY 340.A O no hydrogen 2.910 N/A SER 344.A OG GLU 36.A OE2 no hydrogen 2.910 N/A LEU 345.A N GLN 341.A O no hydrogen 2.886 N/A LEU 346.A N LEU 342.A O no hydrogen 2.957 N/A PHE 347.A N LEU 343.A O no hydrogen 2.844 N/A GLU 348.A N SER 344.A O no hydrogen 2.899 N/A ASP 349.A N LEU 345.A O no hydrogen 2.929 N/A LEU 350.A N LEU 346.A O no hydrogen 2.931 N/A PHE 351.A N PHE 347.A O no hydrogen 2.850 N/A LYS 352.A N GLU 348.A O no hydrogen 2.875 N/A LYS 353.A N ASP 349.A O no hydrogen 2.909 N/A PHE 354.A N LEU 350.A O no hydrogen 2.885 N/A ASN 355.A N PHE 351.A O no hydrogen 2.887 N/A SER 356.A N LYS 352.A O no hydrogen 2.894 N/A SER 356.A OG LYS 352.A O no hydrogen 2.951 N/A SER 356.A OG LYS 353.A O no hydrogen 3.091 N/A GLU 357.A N LYS 353.A O no hydrogen 2.926 N/A MET 358.A N PHE 354.A O no hydrogen 3.446 N/A LYS 359.A N ASN 355.A O no hydrogen 3.227 N/A LYS 360.A N GLU 357.A O no hydrogen 2.931 N/A ILE 361.A N MET 358.A O no hydrogen 3.066 N/A ALA 362.A N MET 358.A O no hydrogen 3.431 N/A ARG 370.A NH1 GLN 373.A O no hydrogen 3.307 N/A GLN 373.A NE2 GLN 106.A OE1 no hydrogen 3.245 N/A LYS 378.A N ASP 375.A OD1 no hydrogen 2.890 N/A THR 386.A OG1 ASP 383.A O no hydrogen 2.985 N/A ASN 387.A N ASP 383.A O no hydrogen 2.894 N/A GLY 388.A N GLN 384.A O no hydrogen 2.870 N/A MET 389.A N ILE 385.A O no hydrogen 2.969 N/A VAL 390.A N THR 386.A O no hydrogen 2.965 N/A ASN 391.A N ASN 387.A O no hydrogen 2.870 N/A ALA 392.A N GLY 388.A O no hydrogen 2.907 N/A ILE 393.A N MET 389.A O no hydrogen 2.977 N/A SER 394.A N VAL 390.A O no hydrogen 2.916 N/A SER 394.A OG VAL 390.A O no hydrogen 2.567 N/A THR 395.A N ASN 391.A O no hydrogen 2.896 N/A THR 395.A OG1 ASN 391.A O no hydrogen 2.827 N/A THR 395.A OG1 ASN 391.A OD1 no hydrogen 2.899 N/A ASN 397.A ND2 GLN 408.A OE1 no hydrogen 3.456 N/A TRP 398.A N ARG 407.A O no hydrogen 2.929 N/A LEU 400.A N MET 405.A O no hydrogen 2.915 N/A MET 405.A N LEU 400.A O no hydrogen 2.899 N/A ARG 407.A N TRP 398.A O no hydrogen 2.877 N/A ARG 407.A NH1 GLU 337.A OE2 no hydrogen 3.479 N/A THR 411.A OG1 ILE 393.A O no hydrogen 2.826 N/A GLN 412.A N VAL 159.A O no hydrogen 2.923 N/A LEU 414.A N GLU 157.A O no hydrogen 2.687 N/A ARG 416.A NE GLU 157.A OE1 no hydrogen 3.311 N/A ARG 416.A NE GLU 157.A OE2 no hydrogen 3.426 N/A ARG 416.A NH2 ASP 146.A OD1 no hydrogen 3.461 N/A ARG 416.A NH2 ASP 146.A OD2 no hydrogen 3.161 N/A ARG 416.A NH2 GLU 157.A OE2 no hydrogen 3.423 N/A SER 418.A N SER 421.A OG no hydrogen 2.940 N/A ILE 420.A N SER 418.A OG no hydrogen 3.362 N/A SER 421.A OG SER 418.A O no hydrogen 3.043 N/A GLY 424.A N ILE 420.A O no hydrogen 2.750 N/A MET 426.A N LEU 423.A O no hydrogen 3.099 N/A THR 427.A OG1 GLY 424.A O no hydrogen 3.361 N/A THR 427.A OG1 ASN 469.A OD1 no hydrogen 3.383 N/A ARG 428.A N MET 425.A O no hydrogen 3.181 N/A ILE 429.A N LYS 468.A O no hydrogen 2.685 N/A SER 430.A N ILE 162.A O no hydrogen 2.595 N/A SER 430.A OG SER 431.A O no hydrogen 3.157 N/A SER 431.A OG GLU 164.A OE1 no hydrogen 3.553 N/A LYS 438.A NZ THR 436.A OG1 no hydrogen 2.662 N/A ARG 443.A NH2 GLU 462.A OE2 no hydrogen 3.353 N/A SER 444.A N SER 440.A O no hydrogen 3.227 N/A SER 444.A N GLY 441.A O no hydrogen 2.796 N/A GLN 446.A NE2 SER 444.A O no hydrogen 3.082 N/A CYS 454.A N ASN 469.A O no hydrogen 3.141 N/A CYS 464.A SG GLU 460.A OE1 no hydrogen 3.430 N/A LYS 468.A N ILE 429.A O no hydrogen 3.218 N/A LYS 468.A NZ GLU 164.A OE1 no hydrogen 3.189 N/A LYS 468.A NZ GLY 465.A O no hydrogen 3.000 N/A LEU 470.A N THR 427.A O no hydrogen 3.215 N/A ALA 471.A N MET 452.A O no hydrogen 2.927 N/A THR 477.A N ARG 565.A O no hydrogen 2.794 N/A THR 477.A OG1 ARG 565.A O no hydrogen 3.442 N/A VAL 486.A N ASP 482.A O no hydrogen 3.043 N/A LYS 487.A N GLY 483.A O no hydrogen 2.920 N/A LEU 488.A N PRO 484.A O no hydrogen 2.884 N/A ALA 489.A N ILE 485.A O no hydrogen 2.908 N/A SER 490.A N VAL 486.A O no hydrogen 2.865 N/A ASN 491.A N LYS 487.A O no hydrogen 2.942 N/A LEU 492.A N LEU 488.A O no hydrogen 2.896 N/A GLU 495.A N VAL 522.A O no hydrogen 2.849 N/A ASN 498.A N ASP 496.A OD1 no hydrogen 3.024 N/A LEU 499.A N ASP 496.A O no hydrogen 3.414 N/A CYS 501.A SG GLN 235.A OE1 no hydrogen 3.311 N/A CYS 501.A SG GLU 504.A OE1 no hydrogen 3.087 N/A SER 506.A N GLU 503.A O no hydrogen 3.370 N/A TYR 507.A N GLU 504.A O no hydrogen 3.209 N/A VAL 510.A N TYR 507.A O no hydrogen 3.189 N/A PHE 511.A N ILE 523.A O no hydrogen 3.176 N/A LEU 512.A N ARG 555.A O no hydrogen 3.434 N/A VAL 513.A N GLY 521.A O no hydrogen 2.920 N/A PHE 514.A N VAL 557.A O no hydrogen 2.747 N/A LEU 515.A N ASN 518.A O no hydrogen 2.818 N/A ASN 516.A N ILE 559.A O no hydrogen 3.251 N/A ASN 516.A ND2 SER 561.A OG no hydrogen 3.236 N/A ASN 518.A ND2 LEU 515.A O no hydrogen 3.669 N/A LEU 520.A N VAL 513.A O no hydrogen 2.919 N/A VAL 522.A N GLU 495.A O no hydrogen 3.407 N/A ILE 523.A N PHE 511.A O no hydrogen 2.878 N/A LYS 528.A N ASP 525.A O no hydrogen 3.209 N/A VAL 530.A N HIS 526.A O no hydrogen 2.908 N/A ASN 531.A N LYS 527.A O no hydrogen 2.913 N/A THR 532.A N LYS 528.A O no hydrogen 2.879 N/A THR 532.A OG1 LYS 528.A O no hydrogen 2.967 N/A PHE 533.A N LEU 529.A O no hydrogen 2.928 N/A ARG 534.A N VAL 530.A O no hydrogen 2.907 N/A LEU 535.A N ASN 531.A O no hydrogen 2.903 N/A MET 536.A N THR 532.A O no hydrogen 2.885 N/A ARG 537.A N PHE 533.A O no hydrogen 2.907 N/A ARG 537.A NH1 VAL 546.A O no hydrogen 3.034 N/A ARG 537.A NH1 GLU 611.A OE1 no hydrogen 2.943 N/A ARG 537.A NH1 GLU 611.A OE2 no hydrogen 3.254 N/A ARG 537.A NH2 GLU 611.A OE1 no hydrogen 3.264 N/A ARG 538.A N ARG 534.A O no hydrogen 2.898 N/A ARG 538.A NE GLU 605.A OE1 no hydrogen 2.810 N/A ARG 538.A NH2 GLU 605.A OE1 no hydrogen 3.374 N/A ALA 539.A N LEU 535.A O no hydrogen 2.893 N/A GLY 540.A N MET 536.A O no hydrogen 3.432 N/A GLU 544.A N GLU 544.A OE2 no hydrogen 3.043 N/A SER 547.A N SER 560.A O no hydrogen 2.878 N/A SER 547.A OG ASN 610.A OD1 no hydrogen 3.142 N/A SER 549.A N TYR 558.A O no hydrogen 2.929 N/A SER 549.A OG ASN 610.A O no hydrogen 3.446 N/A SER 549.A OG ASP 614.A OD2 no hydrogen 3.219 N/A ASN 551.A N CYS 556.A O no hydrogen 2.896 N/A CYS 556.A N ASN 551.A O no hydrogen 2.920 N/A CYS 556.A SG ASP 554.A O no hydrogen 3.227 N/A CYS 556.A SG ASP 554.A OD2 no hydrogen 3.203 N/A VAL 557.A N LEU 512.A O no hydrogen 2.861 N/A TYR 558.A N SER 549.A O no hydrogen 2.861 N/A ILE 559.A N PHE 514.A O no hydrogen 2.559 N/A SER 560.A N SER 547.A O no hydrogen 2.893 N/A SER 561.A N ASN 516.A OD1 no hydrogen 3.414 N/A GLY 564.A N THR 477.A O no hydrogen 2.387 N/A ARG 565.A NE ASP 562.A O no hydrogen 3.022 N/A ARG 565.A NE ASP 562.A OD1 no hydrogen 3.230 N/A ARG 565.A NH2 PHE 545.A O no hydrogen 2.803 N/A CYS 567.A N HIS 475.A O no hydrogen 2.608 N/A CYS 567.A SG THR 477.A OG1 no hydrogen 2.650 N/A CYS 567.A SG ARG 565.A O no hydrogen 3.945 N/A CYS 567.A SG ASP 608.A OD1 no hydrogen 3.130 N/A TYR 570.A N GLU 605.A O no hydrogen 2.870 N/A TYR 570.A OH GLU 612.A OE1 no hydrogen 3.269 N/A ILE 571.A N LEU 631.A O no hydrogen 2.889 N/A ILE 572.A N LEU 603.A O no hydrogen 3.197 N/A VAL 573.A N THR 629.A O no hydrogen 3.311 N/A LYS 574.A N LYS 577.A O no hydrogen 2.787 N/A ALA 579.A N ILE 572.A O no hydrogen 3.188 N/A THR 581.A N HIS 584.A ND1 no hydrogen 3.414 N/A THR 581.A OG1 HIS 584.A ND1 no hydrogen 2.852 N/A MET 585.A N ASN 582.A O no hydrogen 3.258 N/A GLU 586.A N ASN 582.A O no hydrogen 2.910 N/A ALA 589.A N MET 585.A O no hydrogen 2.902 N/A GLN 590.A N GLU 586.A O no hydrogen 2.909 N/A GLY 591.A N GLU 587.A O no hydrogen 3.028 N/A TYR 592.A N GLU 587.A O no hydrogen 3.141 N/A PHE 598.A N ASN 594.A O no hydrogen 3.098 N/A LEU 599.A N PHE 595.A O no hydrogen 2.913 N/A HIS 600.A N GLU 596.A O no hydrogen 2.900 N/A GLU 601.A N ASP 597.A O no hydrogen 2.742 N/A SER 602.A N LEU 599.A O no hydrogen 3.482 N/A LEU 603.A N PHE 598.A O no hydrogen 3.341 N/A GLU 605.A N TYR 570.A O no hydrogen 2.943 N/A GLU 612.A N ASP 608.A O no hydrogen 3.087 N/A CYS 615.A N GLU 612.A O no hydrogen 3.373 N/A CYS 615.A SG GLU 611.A O no hydrogen 3.590 N/A CYS 615.A SG ASP 614.A O no hydrogen 3.344 N/A ALA 618.A N HIS 630.A O no hydrogen 3.103 N/A THR 623.A OG1 THR 623.A O no hydrogen 2.602 N/A THR 628.A OG1 ASN 625.A O no hydrogen 2.758 N/A THR 629.A N ASN 616.A O no hydrogen 2.792 N/A THR 629.A OG1 ASP 627.A O no hydrogen 3.483 N/A HIS 630.A N ASN 616.A O no hydrogen 3.142 N/A HIS 630.A NE2 GLU 605.A OE2 no hydrogen 2.508 N/A LEU 631.A N ILE 571.A O no hydrogen 2.597 N/A GLU 632.A N ALA 618.A O no hydrogen 3.285 N/A TYR 648.A N GLY 923.A O no hydrogen 3.459 N/A HIS 651.A N TYR 648.A O no hydrogen 3.134 N/A ASN 652.A N TYR 648.A O no hydrogen 3.361 N/A ASN 652.A N PRO 649.A O no hydrogen 3.155 N/A ASN 657.A N GLN 653.A O no hydrogen 2.870 N/A THR 658.A N SER 654.A O no hydrogen 2.906 N/A THR 658.A OG1 SER 456.A O no hydrogen 3.347 N/A THR 658.A OG1 SER 654.A O no hydrogen 3.009 N/A TYR 659.A N PRO 655.A O no hydrogen 2.904 N/A GLN 660.A N ARG 656.A O no hydrogen 2.902 N/A CYS 661.A N ASN 657.A O no hydrogen 2.913 N/A CYS 661.A SG SER 456.A O no hydrogen 3.213 N/A CYS 661.A SG ASN 657.A O no hydrogen 3.382 N/A CYS 661.A SG THR 658.A O no hydrogen 3.064 N/A ALA 662.A N THR 658.A O no hydrogen 2.926 N/A MET 663.A N TYR 659.A O no hydrogen 2.906 N/A GLN 666.A N MET 663.A O no hydrogen 3.229 N/A ALA 667.A N MET 663.A O no hydrogen 3.208 N/A MET 668.A N LYS 973.A O no hydrogen 3.185 N/A THR 670.A OG1 GLN 675.A OE1 no hydrogen 3.180 N/A ILE 671.A N GLN 675.A OE1 no hydrogen 3.363 N/A ARG 678.A NH2 GLU 157.A OE2 no hydrogen 3.229 N/A ARG 678.A NH2 ASP 680.A OD1 no hydrogen 2.715 N/A MET 683.A N TYR 746.A O no hydrogen 2.922 N/A LEU 685.A N LEU 744.A O no hydrogen 2.913 N/A GLN 690.A N GLY 710.A O no hydrogen 3.044 N/A GLN 690.A NE2 TYR 688.A O no hydrogen 3.671 N/A THR 696.A OG1 GLY 644.A O no hydrogen 3.434 N/A GLU 700.A N THR 696.A O no hydrogen 3.318 N/A LEU 701.A N LYS 697.A O no hydrogen 2.909 N/A ILE 702.A N THR 698.A O no hydrogen 3.136 N/A GLU 703.A N GLU 700.A O no hydrogen 3.270 N/A PHE 704.A N ILE 699.A O no hydrogen 2.890 N/A LEU 707.A N PHE 704.A O no hydrogen 3.244 N/A GLN 711.A N TYR 971.A O no hydrogen 2.891 N/A ASN 712.A ND2 LYS 691.A O no hydrogen 2.614 N/A ALA 713.A N VAL 969.A O no hydrogen 2.921 N/A VAL 715.A N GLY 967.A O no hydrogen 2.841 N/A ALA 716.A N ILE 889.A O no hydrogen 3.385 N/A VAL 717.A N TYR 965.A O no hydrogen 2.901 N/A MET 718.A N MET 891.A O no hydrogen 2.796 N/A SER 719.A OG ASN 892.A OD1 no hydrogen 3.282 N/A TYR 720.A N ASP 724.A OD2 no hydrogen 3.185 N/A GLU 726.A N GLU 726.A OE2 no hydrogen 2.721 N/A ALA 728.A N ILE 725.A O no hydrogen 2.483 N/A LEU 729.A N VAL 868.A O no hydrogen 3.296 N/A VAL 730.A N ILE 890.A O no hydrogen 3.490 N/A ASN 732.A ND2 VAL 873.A O no hydrogen 3.505 N/A ASN 732.A ND2 PRO 874.A O no hydrogen 3.587 N/A LYS 733.A N VAL 873.A O no hydrogen 2.716 N/A SER 735.A OG ASP 888.A OD1 no hydrogen 2.903 N/A SER 735.A OG ASP 888.A OD2 no hydrogen 3.171 N/A LEU 736.A N ASN 732.A O no hydrogen 2.910 N/A ASP 737.A N LYS 733.A O no hydrogen 2.910 N/A ARG 738.A N ALA 734.A O no hydrogen 2.886 N/A ARG 738.A NH2 GLN 875.A OE1 no hydrogen 3.353 N/A GLY 739.A N SER 735.A O no hydrogen 2.935 N/A PHE 740.A N SER 735.A O no hydrogen 3.090 N/A CYS 743.A N ARG 851.A O no hydrogen 3.104 N/A CYS 743.A SG LEU 685.A O no hydrogen 3.713 N/A LEU 744.A N LEU 685.A O no hydrogen 2.900 N/A VAL 745.A N GLN 849.A O no hydrogen 2.887 N/A TYR 746.A N MET 683.A O no hydrogen 2.873 N/A LYS 747.A N LEU 847.A O no hydrogen 2.900 N/A ASN 748.A N THR 681.A O no hydrogen 3.010 N/A ALA 749.A N MET 845.A O no hydrogen 2.917 N/A CYS 751.A N ILE 843.A O no hydrogen 2.899 N/A CYS 751.A SG THR 752.A O no hydrogen 3.827 N/A LEU 753.A N PHE 841.A O no hydrogen 2.898 N/A LYS 763.A N SER 805.A O no hydrogen 3.257 N/A LYS 775.A N THR 773.A O no hydrogen 3.029 N/A LYS 775.A NZ ASP 770.A OD2 no hydrogen 3.182 N/A ILE 777.A N MET 768.A O no hydrogen 2.672 N/A ASP 784.A N ILE 788.A O no hydrogen 2.567 N/A ASP 786.A N ASP 784.A OD2 no hydrogen 3.099 N/A GLY 792.A N ILE 828.A O no hydrogen 3.043 N/A VAL 795.A N SER 826.A O no hydrogen 2.876 N/A GLU 796.A N GLU 796.A OE2 no hydrogen 2.728 N/A ASN 797.A ND2 GLY 822.A O no hydrogen 2.467 N/A LEU 801.A N ILE 818.A O no hydrogen 2.887 N/A SER 805.A N LYS 763.A O no hydrogen 3.245 N/A SER 805.A OG LYS 763.A O no hydrogen 2.514 N/A MET 806.A N LYS 814.A O no hydrogen 2.931 N/A THR 808.A N GLN 812.A O no hydrogen 2.844 N/A LYS 814.A N MET 806.A O no hydrogen 2.871 N/A VAL 816.A N LYS 804.A O no hydrogen 2.403 N/A ILE 818.A N VAL 802.A O no hydrogen 3.030 N/A THR 819.A OG1 PRO 817.A O no hydrogen 2.913 N/A TYR 820.A N GLN 799.A O no hydrogen 2.920 N/A LYS 821.A NZ THR 819.A O no hydrogen 2.749 N/A SER 826.A OG TYR 827.A O no hydrogen 3.407 N/A SER 826.A OG ARG 848.A O no hydrogen 3.552 N/A TYR 827.A N ARG 848.A O no hydrogen 3.022 N/A ILE 828.A N GLU 793.A O no hydrogen 2.906 N/A GLU 829.A N LEU 846.A O no hydrogen 2.899 N/A LYS 830.A NZ ARG 676.A O no hydrogen 3.091 N/A MET 832.A N LYS 844.A O no hydrogen 2.901 N/A SER 834.A N LEU 842.A O no hydrogen 2.937 N/A ASN 836.A N ALA 840.A O no hydrogen 3.169 N/A ASN 836.A ND2 GLU 838.A OE2 no hydrogen 2.861 N/A ALA 840.A N ASN 836.A OD1 no hydrogen 2.638 N/A PHE 841.A N LEU 753.A O no hydrogen 2.930 N/A LEU 842.A N SER 834.A O no hydrogen 2.879 N/A ILE 843.A N CYS 751.A O no hydrogen 2.904 N/A LYS 844.A N MET 832.A O no hydrogen 2.871 N/A LYS 844.A NZ ASP 88.A OD1 no hydrogen 3.006 N/A MET 845.A N ALA 749.A O no hydrogen 2.882 N/A LEU 846.A N LYS 830.A O no hydrogen 3.336 N/A LEU 847.A N LYS 747.A O no hydrogen 2.894 N/A ARG 848.A N TYR 827.A O no hydrogen 2.767 N/A ARG 848.A NE GLU 829.A OE1 no hydrogen 2.690 N/A ARG 848.A NH2 GLU 829.A OE1 no hydrogen 2.914 N/A GLN 849.A N VAL 745.A O no hydrogen 2.912 N/A ARG 851.A N CYS 743.A O no hydrogen 2.906 N/A ARG 851.A NH1 ASP 980.A OD2 no hydrogen 3.478 N/A ARG 851.A NH2 GLN 849.A OE1 no hydrogen 3.079 N/A ARG 852.A NE PRO 853.A O no hydrogen 3.550 N/A ARG 852.A NH1 ASP 737.A OD1 no hydrogen 3.262 N/A GLU 854.A N ASP 857.A OD2 no hydrogen 2.896 N/A PHE 859.A N GLY 867.A O no hydrogen 2.871 N/A SER 860.A N GLN 972.A O no hydrogen 3.083 N/A SER 860.A OG GLN 660.A OE1 no hydrogen 3.535 N/A SER 861.A OG SER 861.A O no hydrogen 2.548 N/A ARG 862.A N SER 860.A OG no hydrogen 3.243 N/A HIS 863.A ND1 SER 861.A O no hydrogen 2.410 N/A GLN 865.A NE2 THR 901.A OG1 no hydrogen 3.268 N/A GLY 867.A N PHE 859.A O no hydrogen 2.933 N/A CYS 869.A N ASP 857.A O no hydrogen 3.066 N/A CYS 869.A SG ASP 857.A O no hydrogen 3.594 N/A GLY 870.A N LEU 729.A O no hydrogen 2.681 N/A VAL 873.A N LEU 731.A O no hydrogen 3.309 N/A GLU 876.A N GLU 876.A OE1 no hydrogen 2.817 N/A CYS 886.A SG GLY 884.A O no hydrogen 3.913 N/A ASP 888.A N THR 714.A O no hydrogen 2.983 N/A ILE 889.A N THR 714.A O no hydrogen 3.097 N/A ILE 890.A N VAL 730.A O no hydrogen 3.027 N/A MET 891.A N ALA 716.A O no hydrogen 3.001 N/A MET 900.A N PHE 896.A O no hydrogen 2.759 N/A LYS 904.A NZ SER 861.A OG no hydrogen 3.098 N/A ILE 906.A N VAL 902.A O no hydrogen 3.447 N/A GLU 907.A N GLY 903.A O no hydrogen 2.878 N/A LEU 908.A N LYS 904.A O no hydrogen 2.910 N/A LEU 909.A N LEU 905.A O no hydrogen 2.911 N/A ALA 910.A N ILE 906.A O no hydrogen 2.903 N/A GLY 911.A N GLU 907.A O no hydrogen 2.869 N/A LYS 912.A N LEU 908.A O no hydrogen 2.919 N/A LYS 912.A NZ ASP 949.A OD2 no hydrogen 3.045 N/A ALA 913.A N LEU 909.A O no hydrogen 2.940 N/A GLY 914.A N ALA 910.A O no hydrogen 2.872 N/A VAL 915.A N GLY 911.A O no hydrogen 2.901 N/A LEU 916.A N LYS 912.A O no hydrogen 2.951 N/A ASP 917.A N ALA 913.A O no hydrogen 2.888 N/A GLY 918.A N GLY 914.A O no hydrogen 2.595 N/A TYR 922.A OH GLU 700.A OE2 no hydrogen 3.233 N/A GLY 923.A N LYS 695.A O no hydrogen 3.175 N/A SER 929.A OG TYR 922.A O no hydrogen 3.064 N/A CYS 935.A SG VAL 931.A O no hydrogen 3.355 N/A ASP 937.A N VAL 934.A O no hydrogen 3.208 N/A LEU 938.A N VAL 934.A O no hydrogen 3.118 N/A LEU 938.A N CYS 935.A O no hydrogen 3.235 N/A THR 952.A N PHE 880.A O no hydrogen 3.231 N/A SER 953.A N GLU 958.A O no hydrogen 2.868 N/A GLU 958.A N THR 956.A OG1 no hydrogen 3.357 N/A LEU 960.A N VAL 951.A O no hydrogen 3.137 N/A GLY 967.A N VAL 715.A O no hydrogen 2.977 N/A VAL 969.A N ALA 713.A O no hydrogen 2.883 N/A TYR 971.A N GLN 711.A O no hydrogen 2.887 N/A GLN 972.A N SER 860.A O no hydrogen 3.513 N/A LYS 973.A NZ GLY 741.A O no hydrogen 3.468 N/A LEU 974.A N LYS 858.A O no hydrogen 3.282 N/A LYS 981.A N MET 977.A O no hydrogen 3.100 N/A LYS 981.A NZ HIS 976.A ND1 no hydrogen 3.413 N/A ARG 990.A NH2 SER 1034.A O no hydrogen 2.734 N/A ALA 991.A N GLN 996.A O no hydrogen 3.452 N/A ASP 1004.A N ARG 1001.A O no hydrogen 2.900 N/A GLY 1005.A N GLY 1000.A O no hydrogen 2.976 N/A ARG 1014.A N GLY 1010.A O no hydrogen 3.287 N/A ASP 1015.A N GLU 1011.A O no hydrogen 2.900 N/A CYS 1016.A SG MET 1012.A O no hydrogen 3.172 N/A LEU 1017.A N GLU 1013.A O no hydrogen 3.451 N/A ILE 1018.A N ARG 1014.A O no hydrogen 2.921 N/A GLY 1019.A N ASP 1015.A O no hydrogen 2.873 N/A TYR 1020.A N CYS 1016.A O no hydrogen 3.346 N/A GLY 1021.A N LEU 1017.A O no hydrogen 3.268 N/A LEU 1027.A N SER 1023.A O no hydrogen 3.233 N/A GLU 1028.A N MET 1024.A O no hydrogen 2.890 N/A ARG 1029.A N LEU 1025.A O no hydrogen 3.169 N/A MET 1031.A N LEU 1027.A O no hydrogen 3.192 N/A SER 1033.A N GLU 1028.A O no hydrogen 3.106 N/A SER 1033.A OG GLU 1028.A O no hydrogen 3.341 N/A SER 1034.A OG ASP 1035.A OD1 no hydrogen 3.185 N/A PHE 1037.A N ILE 1068.A O no hydrogen 3.252 N/A VAL 1039.A N LEU 1066.A O no hydrogen 2.942 N/A VAL 1041.A N SER 1064.A O no hydrogen 2.885 N/A CYS 1042.A SG HIS 1062.A O no hydrogen 3.271 N/A GLY 1049.A N ASP 1040.A O no hydrogen 3.269 N/A TYR 1050.A N TRP 1053.A O no hydrogen 3.040 N/A GLY 1052.A N ASP 1040.A OD2 no hydrogen 3.188 N/A CYS 1057.A SG GLN 1044.A OE1 no hydrogen 3.167 N/A LYS 1058.A NZ HIS 1055.A O no hydrogen 3.362 N/A SER 1060.A OG GLY 1052.A O no hydrogen 2.861 N/A CYS 1061.A SG SER 1059.A OG no hydrogen 3.349 N/A VAL 1063.A N CYS 1061.A O no hydrogen 3.167 N/A SER 1064.A N VAL 1041.A O no hydrogen 2.915 N/A SER 1065.A OG GLU 1038.A OE2 no hydrogen 3.035 N/A LEU 1066.A N VAL 1039.A O no hydrogen 2.871 N/A ILE 1068.A N PHE 1037.A O no hydrogen 2.904 N/A CYS 1072.A N PRO 1069.A O no hydrogen 3.177 N/A LYS 1073.A N PRO 1069.A O no hydrogen 3.324 N/A LEU 1074.A N TYR 1070.A O no hydrogen 2.892 N/A LEU 1075.A N ALA 1071.A O no hydrogen 2.887 N/A PHE 1076.A N CYS 1072.A O no hydrogen 2.902 N/A GLN 1077.A N LYS 1073.A O no hydrogen 2.916 N/A GLU 1078.A N LEU 1074.A O no hydrogen 2.892 N/A LEU 1079.A N LEU 1075.A O no hydrogen 2.875 N/A GLN 1080.A N PHE 1076.A O no hydrogen 2.931 N/A SER 1081.A OG GLU 1078.A O no hydrogen 2.652 N/A MET 1082.A N LEU 1079.A O no hydrogen 2.929 N/A ILE 1084.A N LEU 1079.A O no hydrogen 3.187 N/A ARG 1087.A N ILE 1085.A O no hydrogen 2.999 N/A SER 1091.A OG LYS 1092.A O no hydrogen 3.339 N/A SER 1091.A OG GLU 1095.A OE1 no hydrogen 2.597 N/A