Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3m_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 11.A N ALA 9.A O no hydrogen 2.737 N/A SER 16.A OG PRO 13.A O no hydrogen 3.034 N/A ALA 18.A N GLN 15.A O no hydrogen 3.212 N/A ALA 19.A N GLN 15.A O no hydrogen 2.993 N/A ALA 20.A N SER 16.A O no hydrogen 2.900 N/A GLY 22.A N ALA 19.A O no hydrogen 3.114 N/A THR 24.A N ALA 20.A O no hydrogen 2.894 N/A ASP 25.A N ALA 20.A O no hydrogen 2.587 N/A LYS 31.A N LYS 27.A O no hydrogen 3.100 N/A GLU 32.A N PRO 28.A O no hydrogen 3.077 N/A ARG 33.A N SER 29.A O no hydrogen 2.901 N/A ARG 34.A N GLY 30.A O no hydrogen 2.907 N/A ASP 35.A N LYS 31.A O no hydrogen 2.905 N/A ALA 36.A N GLU 32.A O no hydrogen 2.897 N/A GLY 37.A N ARG 33.A O no hydrogen 2.899 N/A ASP 38.A N ARG 34.A O no hydrogen 2.897 N/A LYS 39.A N ASP 35.A O no hydrogen 2.927 N/A LYS 39.A NZ ASN 118.A O no hydrogen 2.727 N/A ASP 40.A N ALA 36.A O no hydrogen 2.897 N/A LYS 41.A N GLY 37.A O no hydrogen 2.896 N/A GLU 42.A N ASP 38.A O no hydrogen 2.917 N/A GLN 43.A N LYS 39.A O no hydrogen 2.954 N/A GLU 44.A N ASP 40.A O no hydrogen 3.013 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 3.043 N/A LEU 45.A N LYS 41.A O no hydrogen 2.929 N/A SER 46.A N GLN 43.A O no hydrogen 3.239 N/A GLU 47.A N GLN 43.A O no hydrogen 2.913 N/A LYS 50.A N GLU 48.A O no hydrogen 2.888 N/A LYS 50.A NZ GLU 44.A O no hydrogen 2.700 N/A LYS 50.A NZ GLU 48.A O no hydrogen 3.261 N/A GLN 51.A NE2 GLN 53.A O no hydrogen 2.588 N/A GLN 53.A NE2 ASP 54.A O no hydrogen 2.499 N/A GLN 53.A NE2 GLU 57.A OE2 no hydrogen 2.951 N/A LEU 59.A N LEU 56.A O no hydrogen 2.769 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.704 N/A ARG 62.A NE MET 58.A O no hydrogen 3.272 N/A ARG 62.A NH2 MET 58.A O no hydrogen 3.102 N/A GLY 64.A N VAL 60.A O no hydrogen 3.113 N/A GLU 65.A N GLU 61.A O no hydrogen 2.948 N/A ASP 67.A N LEU 63.A O no hydrogen 2.878 N/A THR 68.A N GLY 64.A O no hydrogen 2.954 N/A SER 69.A N GLU 65.A O no hydrogen 2.900 N/A SER 69.A OG GLU 65.A O no hydrogen 2.562 N/A LEU 70.A N LYS 66.A O no hydrogen 2.919 N/A TYR 71.A N THR 68.A O no hydrogen 3.316 N/A ARG 72.A N THR 68.A O no hydrogen 2.936 N/A ALA 74.A N TYR 71.A O no hydrogen 3.224 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.561 N/A GLN 81.A NE2 ASN 118.A OD1 no hydrogen 3.044 N/A SER 84.A N ARG 80.A O no hydrogen 2.957 N/A SER 84.A OG ARG 80.A O no hydrogen 3.410 N/A SER 84.A OG GLN 81.A O no hydrogen 2.502 N/A SER 84.A OG PRO 115.A O no hydrogen 3.124 N/A SER 85.A N GLN 81.A O no hydrogen 2.892 N/A SER 85.A OG GLN 81.A O no hydrogen 2.798 N/A SER 85.A OG ASN 118.A OD1 no hydrogen 2.830 N/A THR 86.A N ILE 82.A O no hydrogen 2.901 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.948 N/A THR 86.A OG1 ARG 83.A O no hydrogen 2.847 N/A THR 87.A N ARG 83.A O no hydrogen 2.917 N/A THR 87.A OG1 ARG 83.A O no hydrogen 2.888 N/A THR 87.A OG1 SER 84.A O no hydrogen 2.766 N/A SER 88.A N SER 84.A O no hydrogen 2.932 N/A MET 89.A N SER 85.A O no hydrogen 2.891 N/A THR 90.A N THR 86.A O no hydrogen 2.914 N/A THR 90.A OG1 GLU 65.A OE1 no hydrogen 2.296 N/A SER 91.A OG THR 87.A O no hydrogen 2.241 N/A LYS 94.A NZ GLU 136.A OE2 no hydrogen 3.068 N/A LEU 96.A N PRO 93.A O no hydrogen 3.077 N/A LYS 97.A N PRO 93.A O no hydrogen 3.067 N/A HIS 102.A N ARG 100.A O no hydrogen 2.792 N/A HIS 102.A ND1 LYS 94.A O no hydrogen 2.987 N/A ILE 109.A N LEU 106.A O no hydrogen 3.145 N/A TYR 110.A N LEU 106.A O no hydrogen 2.871 N/A GLU 111.A N LEU 106.A O no hydrogen 2.930 N/A ASN 112.A N LYS 107.A O no hydrogen 3.328 N/A LYS 119.A NZ GLY 116.A O no hydrogen 3.385 N/A ARG 120.A NH2 GLU 117.A OE2 no hydrogen 3.212 N/A ALA 122.A N LYS 119.A O no hydrogen 3.233 N/A ALA 123.A N ARG 120.A O no hydrogen 3.352 N/A ILE 125.A N ALA 122.A O no hydrogen 3.428 N/A THR 132.A OG1 VAL 128.A O no hydrogen 3.042 N/A MET 133.A N LEU 129.A O no hydrogen 2.888 N/A SER 134.A N ALA 130.A O no hydrogen 2.954 N/A SER 134.A OG MET 131.A O no hydrogen 2.593 N/A GLY 135.A N MET 131.A O no hydrogen 2.921 N/A GLU 136.A N THR 132.A O no hydrogen 2.932 N/A ARG 137.A N MET 133.A O no hydrogen 2.837 N/A ARG 137.A NH1 ALA 114.A O no hydrogen 3.438 N/A ARG 137.A NH2 ALA 114.A O no hydrogen 2.919 N/A GLU 138.A N SER 134.A O no hydrogen 2.931 N/A LYS 141.A N ARG 137.A O no hydrogen 2.899 N/A LYS 141.A NZ GLU 111.A O no hydrogen 3.268 N/A TYR 142.A N GLU 138.A O no hydrogen 2.905 N/A LEU 144.A N LEU 140.A O no hydrogen 2.901 N/A VAL 145.A N LYS 141.A O no hydrogen 2.869 N/A GLY 146.A N TYR 142.A O no hydrogen 2.895 N/A SER 147.A N ARG 143.A O no hydrogen 2.893 N/A SER 147.A OG ARG 143.A O no hydrogen 3.002 N/A GLN 148.A N LEU 144.A O no hydrogen 2.783 N/A HIS 156.A N SER 153.A O no hydrogen 3.266 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 3.083 N/A TYR 158.A N TRP 154.A O no hydrogen 2.929 N/A VAL 159.A N GLY 155.A O no hydrogen 2.903 N/A ARG 160.A N HIS 156.A O no hydrogen 2.944 N/A HIS 161.A N GLU 157.A O no hydrogen 2.855 N/A LEU 162.A N TYR 158.A O no hydrogen 2.910 N/A ALA 163.A N VAL 159.A O no hydrogen 2.916 N/A GLY 164.A N ARG 160.A O no hydrogen 2.864 N/A GLU 165.A N HIS 161.A O no hydrogen 2.898 N/A VAL 166.A N LEU 162.A O no hydrogen 2.941 N/A ALA 167.A N ALA 163.A O no hydrogen 2.900 N/A LYS 168.A N GLY 164.A O no hydrogen 2.884 N/A LYS 168.A NZ ALA 197.A O no hydrogen 2.751 N/A GLU 169.A N GLU 165.A O no hydrogen 2.909 N/A TRP 170.A N VAL 166.A O no hydrogen 2.883 N/A GLN 171.A N ALA 167.A O no hydrogen 2.921 N/A GLN 171.A NE2 GLU 182.A OE1 no hydrogen 3.100 N/A GLU 172.A N GLU 169.A O no hydrogen 3.333 N/A GLU 182.A N VAL 179.A O no hydrogen 2.887 N/A THR 186.A N GLU 182.A O no hydrogen 2.936 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.708 N/A LEU 187.A N PRO 183.A O no hydrogen 2.848 N/A LEU 187.A N LEU 184.A O no hydrogen 3.275 N/A VAL 188.A N LEU 184.A O no hydrogen 2.983 N/A TYR 194.A N GLU 190.A O no hydrogen 2.490 N/A ASN 195.A N ILE 191.A O no hydrogen 2.925 N/A ASN 195.A N VAL 192.A O no hydrogen 3.323 N/A MET 196.A N PRO 193.A O no hydrogen 3.185 N/A ALA 197.A N PRO 193.A O no hydrogen 2.918 N/A HIS 198.A N TYR 194.A O no hydrogen 2.857 N/A ALA 200.A N MET 196.A O no hydrogen 2.915 N/A GLU 201.A N ALA 197.A O no hydrogen 2.949 N/A HIS 202.A N HIS 198.A O no hydrogen 2.840 N/A HIS 202.A NE2 ASN 245.A OD1 no hydrogen 2.952 N/A GLU 203.A N ASN 199.A O no hydrogen 2.918 N/A ALA 204.A N ALA 200.A O no hydrogen 2.937 N/A CYS 205.A N GLU 201.A O no hydrogen 2.891 N/A CYS 205.A SG ASP 175.A OD2 no hydrogen 3.551 N/A CYS 205.A SG GLU 201.A O no hydrogen 3.321 N/A GLN 213.A N GLN 213.A OE1 no hydrogen 2.803 N/A LEU 217.A N GLN 213.A O no hydrogen 2.892 N/A GLU 218.A N VAL 214.A O no hydrogen 2.965 N/A LYS 219.A N ASP 215.A O no hydrogen 2.882 N/A ASP 220.A N MET 216.A O no hydrogen 2.847 N/A ILE 221.A N LEU 217.A O no hydrogen 2.943 N/A ASP 222.A N GLU 218.A O no hydrogen 2.918 N/A GLU 223.A N LYS 219.A O no hydrogen 2.902 N/A ASN 224.A N ILE 221.A O no hydrogen 3.432 N/A ALA 225.A N ILE 221.A O no hydrogen 2.914 N/A TYR 226.A OH ASP 222.A OD1 no hydrogen 2.837 N/A ASN 238.A N SER 235.A O no hydrogen 3.140 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.788 N/A ASN 245.A N PRO 241.A O no hydrogen 2.891 N/A SER 246.A N GLU 242.A O no hydrogen 2.942 N/A SER 246.A N PRO 243.A O no hydrogen 3.261 N/A SER 246.A OG ASP 274.A OD1 no hydrogen 3.338 N/A ALA 247.A N PRO 243.A O no hydrogen 2.766 N/A LEU 248.A N GLU 244.A O no hydrogen 3.285 N/A ARG 250.A NH2 GLU 210.A O no hydrogen 2.717 N/A CYS 251.A SG ASP 280.A OD1 no hydrogen 3.331 N/A PHE 256.A N LEU 253.A O no hydrogen 3.004 N/A PHE 259.A N VAL 255.A O no hydrogen 2.911 N/A SER 260.A N PHE 256.A O no hydrogen 2.883 N/A SER 260.A OG PHE 256.A O no hydrogen 2.919 N/A ARG 261.A N PHE 259.A O no hydrogen 2.814 N/A LEU 270.A N LEU 266.A O no hydrogen 2.951 N/A LEU 270.A N ARG 267.A O no hydrogen 3.271 N/A MET 271.A N ARG 267.A O no hydrogen 2.870 N/A LEU 272.A N ARG 267.A O no hydrogen 2.797 N/A ASN 273.A ND2 ALA 269.A O no hydrogen 2.657 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.841 N/A SER 284.A N ILE 281.A O no hydrogen 3.075 N/A LYS 286.A NZ MET 275.A O no hydrogen 2.845 N/A ASP 287.A N SER 284.A O no hydrogen 2.779 N/A VAL 290.A N LYS 286.A O no hydrogen 2.923 N/A GLN 291.A N ASP 287.A O no hydrogen 2.875 N/A GLN 291.A NE2 ARG 879.A O no hydrogen 3.683 N/A LYS 292.A N VAL 288.A O no hydrogen 2.894 N/A GLN 293.A N VAL 289.A O no hydrogen 2.879 N/A MET 294.A N GLN 291.A O no hydrogen 3.265 N/A PHE 296.A N GLN 293.A O no hydrogen 2.887 N/A GLY 299.A N PHE 296.A O no hydrogen 2.803 N/A ARG 300.A N PHE 296.A O no hydrogen 2.484 N/A ARG 300.A NH2 GLU 312.A OE1 no hydrogen 3.511 N/A HIS 301.A N MET 297.A O no hydrogen 2.822 N/A HIS 301.A ND1 MET 297.A O no hydrogen 2.364 N/A VAL 303.A N GLY 299.A O no hydrogen 3.200 N/A PHE 304.A N ARG 300.A O no hydrogen 3.182 N/A LEU 305.A N HIS 301.A O no hydrogen 2.880 N/A GLU 306.A N GLY 302.A O no hydrogen 2.941 N/A SER 308.A N VAL 303.A O no hydrogen 2.352 N/A GLU 309.A N GLU 309.A OE1 no hydrogen 2.773 N/A THR 318.A N TYR 314.A O no hydrogen 2.890 N/A THR 318.A OG1 TYR 314.A O no hydrogen 2.749 N/A THR 318.A OG1 GLU 315.A O no hydrogen 2.876 N/A GLU 319.A N GLU 315.A O no hydrogen 2.912 N/A ILE 320.A N ASP 316.A O no hydrogen 2.940 N/A SER 322.A OG ASN 457.A OD1 no hydrogen 3.105 N/A GLN 325.A NE2 GLN 325.A O no hydrogen 3.679 N/A GLN 325.A NE2 ASN 329.A OD1 no hydrogen 3.575 N/A GLN 325.A NE2 VAL 817.A O no hydrogen 3.081 N/A SER 328.A OG VAL 324.A O no hydrogen 2.908 N/A PHE 330.A N LEU 326.A O no hydrogen 2.935 N/A LEU 331.A N ASN 327.A O no hydrogen 2.880 N/A ALA 332.A N SER 328.A O no hydrogen 2.903 N/A LEU 333.A N ASN 329.A O no hydrogen 2.914 N/A ALA 334.A N PHE 330.A O no hydrogen 2.888 N/A ARG 335.A N LEU 331.A O no hydrogen 2.901 N/A ARG 335.A NH2 GLU 336.A OE2 no hydrogen 2.946 N/A GLU 336.A N ALA 332.A O no hydrogen 2.916 N/A LEU 337.A N ALA 332.A O no hydrogen 3.167 N/A GLU 341.A N ASP 338.A O no hydrogen 3.384 N/A LYS 343.A NZ GLN 387.A O no hydrogen 2.893 N/A LYS 343.A NZ ASP 388.A OD1 no hydrogen 2.658 N/A TYR 349.A OH SER 374.A O no hydrogen 2.395 N/A GLN 364.A NE2 GLY 362.A O no hydrogen 2.661 N/A VAL 365.A N ASN 402.A O no hydrogen 2.995 N/A SER 367.A OG LYS 403.A O no hydrogen 2.201 N/A SER 367.A OG ASP 404.A O no hydrogen 2.766 N/A ASN 371.A N ASN 402.A OD1 no hydrogen 3.099 N/A ASN 371.A ND2 TRP 398.A O no hydrogen 2.455 N/A SER 374.A N MET 370.A O no hydrogen 2.972 N/A SER 374.A OG MET 370.A O no hydrogen 3.259 N/A SER 375.A N ASN 371.A O no hydrogen 2.918 N/A SER 375.A OG LEU 372.A O no hydrogen 2.632 N/A PHE 376.A N LEU 372.A O no hydrogen 2.809 N/A VAL 377.A N ALA 373.A O no hydrogen 2.949 N/A ASN 378.A N SER 374.A O no hydrogen 2.928 N/A GLY 379.A N SER 375.A O no hydrogen 2.865 N/A PHE 380.A N PHE 376.A O no hydrogen 2.875 N/A PHE 380.A N VAL 377.A O no hydrogen 3.262 N/A VAL 381.A N VAL 377.A O no hydrogen 2.905 N/A ASN 382.A ND2 ASN 378.A OD1 no hydrogen 3.479 N/A ALA 383.A N PHE 380.A O no hydrogen 3.270 N/A LEU 399.A N GLY 395.A O no hydrogen 2.875 N/A ASN 402.A N VAL 365.A O no hydrogen 3.207 N/A GLY 406.A N SER 367.A OG no hydrogen 3.228 N/A ALA 410.A N GLY 406.A O no hydrogen 2.875 N/A ALA 411.A N MET 407.A O no hydrogen 2.981 N/A ALA 412.A N LEU 408.A O no hydrogen 2.937 N/A SER 413.A N SER 409.A O no hydrogen 2.830 N/A SER 413.A OG ALA 410.A O no hydrogen 2.610 N/A LEU 414.A N ALA 410.A O no hydrogen 2.944 N/A GLY 415.A N ALA 411.A O no hydrogen 2.970 N/A MET 416.A N ALA 412.A O no hydrogen 2.908 N/A VAL 422.A N ASP 421.A OD1 no hydrogen 2.934 N/A LEU 426.A N ASP 423.A O no hydrogen 3.242 N/A GLN 428.A NE2 LEU 414.A O no hydrogen 2.666 N/A ILE 429.A N GLY 425.A O no hydrogen 3.041 N/A ASP 430.A N LEU 426.A O no hydrogen 2.900 N/A LYS 431.A N THR 427.A O no hydrogen 2.906 N/A LEU 433.A N ASP 430.A O no hydrogen 3.338 N/A SER 436.A OG SER 435.A O no hydrogen 2.668 N/A LYS 441.A N GLU 437.A O no hydrogen 3.290 N/A SER 442.A N ASP 438.A O no hydrogen 2.927 N/A SER 442.A OG ASP 438.A O no hydrogen 2.623 N/A GLY 443.A N TYR 439.A O no hydrogen 2.942 N/A ALA 444.A N ILE 440.A O no hydrogen 2.858 N/A LEU 445.A N LYS 441.A O no hydrogen 2.915 N/A LEU 446.A N SER 442.A O no hydrogen 2.963 N/A ALA 447.A N GLY 443.A O no hydrogen 2.877 N/A CYS 448.A N ALA 444.A O no hydrogen 2.868 N/A CYS 448.A SG ALA 462.A O no hydrogen 3.279 N/A GLY 449.A N LEU 445.A O no hydrogen 2.890 N/A ILE 450.A N LEU 446.A O no hydrogen 2.955 N/A VAL 451.A N ALA 447.A O no hydrogen 2.929 N/A ASN 452.A N CYS 448.A O no hydrogen 2.898 N/A SER 453.A N ILE 450.A O no hydrogen 3.342 N/A GLY 454.A N ASN 452.A O no hydrogen 2.903 N/A GLU 458.A N ASN 457.A OD1 no hydrogen 3.037 N/A CYS 459.A SG GLU 458.A OE2 no hydrogen 3.301 N/A ASP 460.A N ASN 457.A O no hydrogen 2.974 N/A LEU 466.A N ALA 462.A O no hydrogen 3.127 N/A SER 467.A N LEU 463.A O no hydrogen 2.938 N/A SER 467.A OG ALA 464.A O no hydrogen 2.807 N/A ASP 468.A N ALA 464.A O no hydrogen 2.878 N/A TYR 469.A N LEU 465.A O no hydrogen 2.911 N/A HIS 472.A ND1 SER 474.A O no hydrogen 2.777 N/A SER 474.A N HIS 472.A ND1 no hydrogen 3.095 N/A ARG 478.A N SER 474.A O no hydrogen 2.796 N/A ARG 478.A NH2 HIS 472.A O no hydrogen 2.426 N/A LEU 479.A N MET 477.A O no hydrogen 2.859 N/A GLY 484.A N GLY 480.A O no hydrogen 3.039 N/A LEU 485.A N SER 481.A O no hydrogen 2.927 N/A GLY 486.A N ILE 482.A O no hydrogen 2.877 N/A LEU 487.A N PHE 483.A O no hydrogen 2.879 N/A ALA 488.A N GLY 484.A O no hydrogen 2.916 N/A TYR 489.A N GLY 486.A O no hydrogen 3.189 N/A SER 492.A OG TYR 489.A O no hydrogen 2.982 N/A ARG 494.A NE GLU 306.A OE2 no hydrogen 2.985 N/A ARG 494.A NH2 GLU 306.A OE2 no hydrogen 3.539 N/A THR 499.A N GLU 495.A O no hydrogen 2.912 N/A THR 499.A OG1 GLU 495.A O no hydrogen 2.775 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.888 N/A LEU 500.A N ASP 496.A O no hydrogen 2.924 N/A LEU 501.A N VAL 497.A O no hydrogen 2.883 N/A LEU 501.A N LEU 498.A O no hydrogen 3.251 N/A LEU 502.A N LEU 498.A O no hydrogen 2.865 N/A VAL 504.A N LEU 501.A O no hydrogen 3.256 N/A MET 505.A N LEU 501.A O no hydrogen 3.302 N/A GLY 506.A N LEU 502.A O no hydrogen 2.933 N/A SER 508.A OG MET 505.A O no hydrogen 3.517 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.975 N/A GLY 516.A N MET 512.A O no hydrogen 2.980 N/A VAL 517.A N GLU 513.A O no hydrogen 2.918 N/A THR 518.A N VAL 514.A O no hydrogen 2.892 N/A ALA 519.A N ALA 515.A O no hydrogen 2.925 N/A LEU 520.A N GLY 516.A O no hydrogen 2.964 N/A ALA 521.A N VAL 517.A O no hydrogen 2.888 N/A CYS 522.A N THR 518.A O no hydrogen 2.909 N/A CYS 522.A SG THR 518.A O no hydrogen 3.402 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.262 N/A CYS 522.A SG THR 537.A OG1 no hydrogen 3.690 N/A GLY 523.A N ALA 519.A O no hydrogen 2.932 N/A MET 524.A N LEU 520.A O no hydrogen 2.889 N/A GLY 528.A N ASN 493.A OD1 no hydrogen 3.167 N/A SER 529.A N ASN 493.A OD1 no hydrogen 2.779 N/A CYS 530.A SG ASP 533.A OD1 no hydrogen 3.361 N/A CYS 530.A SG ASP 533.A OD2 no hydrogen 3.345 N/A ASP 533.A N CYS 530.A O no hydrogen 3.116 N/A THR 535.A N ASN 531.A O no hydrogen 2.833 N/A THR 535.A OG1 ASN 531.A O no hydrogen 3.379 N/A THR 535.A OG1 GLY 532.A O no hydrogen 2.623 N/A SER 536.A N GLY 532.A O no hydrogen 2.938 N/A THR 537.A N ASP 533.A O no hydrogen 2.892 N/A THR 537.A OG1 ASP 533.A O no hydrogen 2.519 N/A ILE 538.A N VAL 534.A O no hydrogen 2.914 N/A LEU 539.A N THR 535.A O no hydrogen 2.887 N/A GLN 540.A N SER 536.A O no hydrogen 2.964 N/A THR 541.A N THR 537.A O no hydrogen 2.871 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.486 N/A ILE 542.A N ILE 538.A O no hydrogen 2.920 N/A LYS 545.A NZ SER 508.A O no hydrogen 2.662 N/A THR 548.A OG1 LYS 545.A O no hydrogen 3.539 N/A THR 548.A OG1 GLU 547.A OE2 no hydrogen 3.305 N/A LEU 550.A N SER 546.A O no hydrogen 3.227 N/A THR 553.A OG1 ASP 552.A O no hydrogen 2.585 N/A TYR 554.A N THR 548.A O no hydrogen 3.037 N/A TRP 557.A N TYR 554.A O no hydrogen 3.491 N/A LEU 562.A N LEU 558.A O no hydrogen 2.955 N/A GLY 563.A N PRO 559.A O no hydrogen 2.805 N/A LEU 564.A N LEU 560.A O no hydrogen 2.949 N/A ASN 565.A N GLY 561.A O no hydrogen 2.889 N/A HIS 566.A N LEU 562.A O no hydrogen 2.873 N/A LEU 567.A N LEU 564.A O no hydrogen 3.428 N/A GLU 571.A N TYR 600.A OH no hydrogen 2.454 N/A ILE 573.A N GLY 570.A O no hydrogen 2.996 N/A GLU 574.A N GLY 570.A O no hydrogen 2.513 N/A ALA 578.A N GLU 574.A O no hydrogen 2.918 N/A ALA 579.A N ALA 575.A O no hydrogen 2.890 N/A LEU 580.A N ILE 576.A O no hydrogen 2.918 N/A GLU 581.A N LEU 577.A O no hydrogen 2.926 N/A SER 584.A N GLU 581.A O no hydrogen 3.306 N/A ARG 588.A N GLU 585.A O no hydrogen 2.825 N/A ARG 588.A NE GLU 581.A O no hydrogen 3.115 N/A ARG 588.A NH2 VAL 582.A O no hydrogen 3.484 N/A PHE 590.A N PRO 586.A O no hydrogen 2.986 N/A ALA 591.A N PHE 587.A O no hydrogen 2.793 N/A ASN 592.A N ARG 588.A O no hydrogen 2.932 N/A THR 593.A OG1 SER 589.A O no hydrogen 3.471 N/A LEU 594.A N PHE 590.A O no hydrogen 2.996 N/A VAL 595.A N ALA 591.A O no hydrogen 2.873 N/A ASP 596.A N ASN 592.A O no hydrogen 2.933 N/A VAL 597.A N THR 593.A O no hydrogen 2.898 N/A CYS 598.A N LEU 594.A O no hydrogen 2.935 N/A CYS 598.A SG LEU 560.A O no hydrogen 3.889 N/A CYS 598.A SG THR 775.A OG1 no hydrogen 3.448 N/A ALA 599.A N VAL 595.A O no hydrogen 2.900 N/A TYR 600.A N ASP 596.A O no hydrogen 3.308 N/A ASN 605.A ND2 ASP 636.A OD2 no hydrogen 2.746 N/A GLN 610.A N LYS 635.A O no hydrogen 3.335 N/A GLN 611.A N LYS 608.A O no hydrogen 2.850 N/A GLN 611.A NE2 SER 589.A OG no hydrogen 2.985 N/A GLN 611.A NE2 ASP 630.A O no hydrogen 3.102 N/A LEU 612.A N VAL 609.A O no hydrogen 2.825 N/A LEU 613.A N GLN 610.A O no hydrogen 3.040 N/A CYS 616.A SG HIS 614.A O no hydrogen 3.331 N/A CYS 616.A SG ASP 628.A O no hydrogen 3.819 N/A SER 617.A OG SER 617.A O no hydrogen 2.745 N/A GLU 618.A N ILE 615.A O no hydrogen 3.206 N/A LYS 623.A N PHE 620.A O no hydrogen 3.327 N/A LYS 625.A NZ GLU 626.A O no hydrogen 2.947 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.781 N/A LYS 629.A NZ HIS 614.A ND1 no hydrogen 3.434 N/A LYS 629.A NZ ASP 621.A OD2 no hydrogen 3.309 N/A LYS 631.A NZ PRO 586.A O no hydrogen 3.368 N/A LYS 631.A NZ ASP 630.A O no hydrogen 3.444 N/A LYS 632.A NZ GLU 633.A OE1 no hydrogen 3.048 N/A LYS 634.A N VAL 606.A O no hydrogen 2.678 N/A ASP 636.A N ASN 605.A O no hydrogen 2.838 N/A LYS 637.A NZ TYR 226.A O no hydrogen 3.492 N/A LYS 637.A NZ GLY 604.A O no hydrogen 2.977 N/A LYS 639.A NZ SER 603.A OG no hydrogen 2.819 N/A VAL 652.A N ALA 648.A O no hydrogen 2.929 N/A ALA 653.A N HIS 649.A O no hydrogen 2.892 N/A VAL 654.A N GLN 650.A O no hydrogen 2.947 N/A LEU 655.A N GLY 651.A O no hydrogen 2.912 N/A GLY 656.A N VAL 652.A O no hydrogen 2.836 N/A ILE 657.A N ALA 653.A O no hydrogen 2.936 N/A ALA 658.A N VAL 654.A O no hydrogen 2.906 N/A LEU 659.A N LEU 655.A O no hydrogen 2.887 N/A ILE 660.A N LEU 655.A O no hydrogen 2.717 N/A ALA 661.A N GLY 656.A O no hydrogen 3.142 N/A MET 662.A N GLY 656.A O no hydrogen 3.350 N/A ALA 668.A N GLU 664.A O no hydrogen 3.421 N/A LEU 672.A N GLU 669.A O no hydrogen 3.256 N/A THR 674.A OG1 ALA 671.A O no hydrogen 2.773 N/A PHE 675.A N LEU 672.A O no hydrogen 3.208 N/A HIS 677.A N ARG 673.A O no hydrogen 2.882 N/A LEU 678.A N ARG 673.A O no hydrogen 3.410 N/A GLU 683.A N GLU 683.A OE1 no hydrogen 2.830 N/A THR 685.A OG1 PRO 684.A O no hydrogen 2.597 N/A ARG 687.A N GLU 683.A O no hydrogen 3.041 N/A ARG 687.A NH1 ASP 645.A OD2 no hydrogen 3.457 N/A ARG 687.A NH2 ASP 645.A OD2 no hydrogen 2.954 N/A ARG 688.A N GLU 683.A O no hydrogen 3.145 N/A ARG 688.A NH1 SER 722.A O no hydrogen 3.363 N/A ALA 693.A N ALA 689.A O no hydrogen 2.880 N/A LEU 694.A N PRO 691.A O no hydrogen 3.324 N/A ALA 695.A N PRO 691.A O no hydrogen 2.877 N/A LEU 704.A N ASN 701.A O no hydrogen 3.364 N/A ILE 706.A N PRO 702.A O no hydrogen 2.725 N/A LEU 707.A N ARG 703.A O no hydrogen 3.063 N/A ASP 708.A N LEU 704.A O no hydrogen 2.931 N/A THR 709.A N ASN 705.A O no hydrogen 2.906 N/A THR 709.A OG1 ASN 705.A O no hydrogen 3.060 N/A THR 709.A OG1 ILE 706.A O no hydrogen 2.908 N/A LEU 710.A N ILE 706.A O no hydrogen 2.867 N/A SER 711.A N LEU 707.A O no hydrogen 2.930 N/A SER 711.A OG LEU 707.A O no hydrogen 3.535 N/A SER 711.A OG ASP 708.A O no hydrogen 2.485 N/A LYS 712.A N ASP 708.A O no hydrogen 2.854 N/A PHE 713.A N THR 709.A O no hydrogen 2.930 N/A HIS 715.A N LYS 712.A O no hydrogen 3.077 N/A HIS 715.A ND1 SER 711.A O no hydrogen 2.530 N/A ALA 728.A N ASN 724.A O no hydrogen 2.908 N/A MET 729.A N SER 725.A O no hydrogen 2.940 N/A GLY 730.A N ILE 726.A O no hydrogen 2.902 N/A ALA 739.A N ASN 738.A OD1 no hydrogen 2.756 N/A ARG 740.A NH2 ASP 404.A OD2 no hydrogen 3.482 N/A ALA 743.A N ALA 739.A O no hydrogen 3.045 N/A MET 744.A N ARG 740.A O no hydrogen 3.143 N/A ARG 746.A NE THR 736.A OG1 no hydrogen 2.932 N/A ARG 746.A NH1 GLN 747.A OE1 no hydrogen 3.217 N/A GLN 747.A N ALA 743.A O no hydrogen 2.955 N/A LEU 748.A N MET 744.A O no hydrogen 2.906 N/A ALA 749.A N LEU 745.A O no hydrogen 2.886 N/A GLN 750.A N ARG 746.A O no hydrogen 2.941 N/A TYR 751.A N GLN 747.A O no hydrogen 2.869 N/A HIS 752.A N LEU 748.A O no hydrogen 2.949 N/A HIS 752.A ND1 LEU 748.A O no hydrogen 2.565 N/A ASP 755.A N ALA 717.A O no hydrogen 2.736 N/A ASN 758.A ND2 ASP 755.A OD1 no hydrogen 2.638 N/A ARG 763.A NH1 GLU 641.A OE2 no hydrogen 3.281 N/A LEU 764.A N THR 769.A O no hydrogen 3.160 N/A GLY 767.A N LEU 764.A O no hydrogen 3.075 N/A GLY 774.A N LEU 771.A O no hydrogen 2.899 N/A LEU 776.A N LYS 773.A O no hydrogen 2.999 N/A THR 777.A N LYS 773.A O no hydrogen 2.593 N/A TYR 781.A N LEU 778.A O no hydrogen 3.367 N/A HIS 782.A N LEU 778.A O no hydrogen 2.878 N/A HIS 782.A ND1 LEU 778.A O no hydrogen 2.657 N/A GLN 786.A NE2 THR 553.A O no hydrogen 3.379 N/A SER 789.A OG GLU 513.A OE1 no hydrogen 2.904 N/A SER 789.A OG MET 788.A O no hydrogen 2.773 N/A GLN 790.A NE2 LEU 796.A O no hydrogen 2.757 N/A THR 798.A OG1 THR 798.A O no hydrogen 2.564 N/A VAL 801.A N THR 798.A O no hydrogen 3.298 N/A SER 802.A N VAL 799.A O no hydrogen 3.014 N/A PHE 803.A N VAL 799.A O no hydrogen 3.285 N/A LEU 804.A N VAL 801.A O no hydrogen 3.232 N/A ASP 805.A N PHE 803.A O no hydrogen 2.665 N/A ARG 807.A NH2 THR 777.A OG1 no hydrogen 2.486 N/A ASN 808.A ND2 ILE 810.A O no hydrogen 2.615 N/A LYS 813.A NZ ALA 824.A O no hydrogen 2.763 N/A SER 814.A N GLY 812.A O no hydrogen 2.807 N/A SER 814.A OG GLN 291.A OE1 no hydrogen 2.767 N/A HIS 815.A N LEU 818.A O no hydrogen 3.402 N/A GLU 835.A N ASP 834.A OD1 no hydrogen 2.471 N/A GLN 848.A N VAL 846.A O no hydrogen 2.742 N/A GLN 848.A NE2 VAL 846.A O no hydrogen 2.964 N/A VAL 852.A N ASP 851.A OD1 no hydrogen 2.676 N/A LYS 858.A NZ TYR 681.A O no hydrogen 2.547 N/A LYS 858.A NZ GLY 682.A O no hydrogen 2.454 N/A LYS 858.A NZ HIS 715.A O no hydrogen 3.206 N/A THR 861.A OG1 ALA 765.A O no hydrogen 2.268 N/A THR 867.A OG1 GLN 866.A O no hydrogen 2.626 N/A THR 869.A OG1 HIS 868.A O no hydrogen 2.628 N/A THR 869.A OG1 LEU 882.A O no hydrogen 3.477 N/A ARG 879.A NH1 GLY 812.A O no hydrogen 3.468 N/A