Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wg5_AA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 7.A N ALA 174.A O no hydrogen 2.879 N/A ASP 9.A N LYS 172.A O no hydrogen 2.699 N/A LYS 12.A NZ ASP 9.A OD2 no hydrogen 3.477 N/A GLU 16.A N SER 14.A OG no hydrogen 3.156 N/A ALA 19.A N PHE 15.A O no hydrogen 3.086 N/A ALA 19.A N GLU 16.A O no hydrogen 3.186 N/A LYS 20.A N GLU 16.A O no hydrogen 3.305 N/A LYS 20.A NZ GLU 17.A OE1 no hydrogen 3.391 N/A ARG 26.A NH1 HIS 51.A O no hydrogen 2.936 N/A THR 34.A OG1 THR 36.A OG1 no hydrogen 2.386 N/A THR 35.A N GLN 705.A O no hydrogen 2.988 N/A THR 35.A OG1 GLN 705.A O no hydrogen 3.321 N/A THR 35.A OG1 ARG 707.A O no hydrogen 3.390 N/A THR 36.A OG1 THR 34.A OG1 no hydrogen 2.386 N/A TRP 37.A NE1 ILE 28.A O no hydrogen 2.733 N/A ILE 38.A N THR 35.A O no hydrogen 3.377 N/A ASN 40.A N THR 36.A O no hydrogen 2.924 N/A LEU 41.A N TRP 37.A O no hydrogen 2.844 N/A HIS 42.A N ILE 38.A O no hydrogen 2.949 N/A HIS 42.A ND1 ILE 38.A O no hydrogen 2.845 N/A ALA 43.A N TRP 39.A O no hydrogen 2.873 N/A ASP 44.A N ASN 40.A O no hydrogen 3.189 N/A ALA 45.A N HIS 42.A O no hydrogen 3.330 N/A SER 50.A N ASP 47.A O no hydrogen 2.966 N/A HIS 51.A N ASP 47.A O no hydrogen 3.276 N/A HIS 51.A NE2 ASP 44.A O no hydrogen 2.553 N/A THR 52.A N PHE 48.A O no hydrogen 3.446 N/A ILE 58.A N ASP 54.A O no hydrogen 3.255 N/A SER 59.A N LEU 55.A O no hydrogen 2.868 N/A SER 59.A OG LEU 55.A O no hydrogen 2.479 N/A ARG 60.A N GLU 56.A O no hydrogen 2.963 N/A ARG 60.A NE PRO 175.A O no hydrogen 2.548 N/A ARG 60.A NH2 PRO 175.A O no hydrogen 3.527 N/A LYS 61.A N GLU 57.A O no hydrogen 2.933 N/A LYS 61.A NZ HIS 51.A ND1 no hydrogen 3.393 N/A VAL 62.A N ILE 58.A O no hydrogen 2.917 N/A PHE 63.A N SER 59.A O no hydrogen 2.905 N/A SER 64.A N ARG 60.A O no hydrogen 3.004 N/A SER 64.A OG ARG 60.A O no hydrogen 3.483 N/A SER 64.A OG GLY 166.A O no hydrogen 2.948 N/A ALA 65.A N LYS 61.A O no hydrogen 2.870 N/A HIS 66.A N VAL 62.A O no hydrogen 2.841 N/A PHE 67.A N PHE 63.A O no hydrogen 3.015 N/A GLY 68.A N SER 64.A O no hydrogen 2.929 N/A GLN 69.A N ALA 65.A O no hydrogen 2.894 N/A GLN 69.A NE2 GLN 69.A O no hydrogen 3.054 N/A LEU 70.A N HIS 66.A O no hydrogen 2.862 N/A SER 71.A N PHE 67.A O no hydrogen 2.862 N/A SER 71.A OG GLY 68.A O no hydrogen 2.802 N/A ILE 72.A N GLY 68.A O no hydrogen 2.914 N/A ILE 73.A N GLN 69.A O no hydrogen 2.875 N/A PHE 74.A N LEU 70.A O no hydrogen 2.871 N/A LEU 75.A N SER 71.A O no hydrogen 2.862 N/A TRP 76.A N ILE 72.A O no hydrogen 2.872 N/A LEU 77.A N ILE 73.A O no hydrogen 2.870 N/A SER 78.A N PHE 74.A O no hydrogen 2.841 N/A SER 78.A OG LEU 75.A O no hydrogen 2.558 N/A GLY 79.A N LEU 75.A O no hydrogen 2.899 N/A MET 80.A N TRP 76.A O no hydrogen 2.936 N/A TYR 81.A N LEU 77.A O no hydrogen 2.874 N/A PHE 82.A N SER 78.A O no hydrogen 2.876 N/A HIS 83.A N GLY 79.A O no hydrogen 2.852 N/A GLY 84.A N MET 80.A O no hydrogen 2.900 N/A ALA 85.A N PHE 82.A O no hydrogen 2.854 N/A ARG 86.A N PHE 82.A O no hydrogen 2.888 N/A PHE 87.A N HIS 83.A O no hydrogen 3.170 N/A SER 88.A OG SER 103.A O no hydrogen 2.782 N/A ASN 89.A N SER 103.A O no hydrogen 3.192 N/A ASN 89.A ND2 GLY 101.A O no hydrogen 3.027 N/A ASN 89.A ND2 GLY 121.A O no hydrogen 3.304 N/A TRP 93.A N ASN 89.A O no hydrogen 2.770 N/A LEU 94.A N TYR 90.A O no hydrogen 2.901 N/A SER 95.A N GLU 91.A O no hydrogen 2.949 N/A SER 95.A OG GLU 91.A O no hydrogen 2.763 N/A ASP 96.A N ALA 92.A O no hydrogen 3.292 N/A HIS 99.A ND1 ASP 96.A OD2 no hydrogen 2.542 N/A GLY 101.A N VAL 120.A O no hydrogen 2.792 N/A SER 103.A N ASN 89.A OD1 no hydrogen 3.129 N/A SER 103.A OG ILE 127.A O no hydrogen 3.009 N/A VAL 107.A N ASN 117.A OD1 no hydrogen 3.016 N/A GLN 113.A NE2 TRP 108.A O no hydrogen 2.585 N/A GLU 114.A N GLU 114.A OE1 no hydrogen 2.920 N/A ILE 115.A N GLY 112.A O no hydrogen 3.495 N/A LEU 116.A N GLN 113.A O no hydrogen 2.892 N/A ASN 117.A N GLU 114.A O no hydrogen 3.078 N/A ASN 117.A ND2 VAL 107.A O no hydrogen 3.368 N/A GLY 118.A N GLY 126.A O no hydrogen 2.812 N/A VAL 120.A N GLY 118.A O no hydrogen 2.785 N/A ARG 125.A NH2 GLU 114.A O no hydrogen 3.348 N/A GLY 126.A N GLY 118.A O no hydrogen 3.389 N/A ILE 127.A N GLN 105.A O no hydrogen 2.740 N/A ILE 129.A N PRO 102.A O no hydrogen 2.444 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.542 N/A GLN 135.A NE2 TYR 368.A O no hydrogen 2.961 N/A ILE 136.A N GLY 132.A O no hydrogen 3.142 N/A TRP 137.A N PHE 133.A O no hydrogen 2.920 N/A ARG 138.A N PHE 134.A O no hydrogen 2.919 N/A ARG 138.A NH1 LEU 94.A O no hydrogen 3.181 N/A ALA 139.A N GLN 135.A O no hydrogen 2.927 N/A SER 140.A N ILE 136.A O no hydrogen 2.890 N/A SER 140.A OG ILE 136.A O no hydrogen 2.869 N/A GLY 141.A N ARG 138.A O no hydrogen 3.366 N/A ILE 142.A N TRP 137.A O no hydrogen 2.985 N/A THR 143.A OG1 ILE 142.A O no hydrogen 2.447 N/A SER 144.A OG THR 143.A O no hydrogen 2.628 N/A TYR 149.A N GLU 145.A O no hydrogen 2.876 N/A CYS 150.A N LEU 146.A O no hydrogen 2.913 N/A CYS 150.A SG LEU 146.A O no hydrogen 3.536 N/A CYS 150.A SG GLN 147.A O no hydrogen 3.059 N/A THR 151.A N GLN 147.A O no hydrogen 2.960 N/A ALA 152.A N LEU 148.A O no hydrogen 2.912 N/A ILE 153.A N TYR 149.A O no hydrogen 2.949 N/A GLY 154.A N CYS 150.A O no hydrogen 2.866 N/A ALA 155.A N THR 151.A O no hydrogen 2.847 N/A LEU 156.A N ALA 152.A O no hydrogen 2.907 N/A VAL 157.A N ILE 153.A O no hydrogen 2.874 N/A PHE 158.A N GLY 154.A O no hydrogen 2.853 N/A ALA 159.A N ALA 155.A O no hydrogen 2.841 N/A ALA 160.A N LEU 156.A O no hydrogen 2.942 N/A LEU 161.A N VAL 157.A O no hydrogen 2.836 N/A MET 162.A N PHE 158.A O no hydrogen 2.839 N/A LEU 163.A N ALA 159.A O no hydrogen 2.917 N/A PHE 164.A N ALA 160.A O no hydrogen 2.895 N/A ALA 165.A N LEU 161.A O no hydrogen 2.846 N/A GLY 166.A N MET 162.A O no hydrogen 2.887 N/A TRP 167.A N LEU 163.A O no hydrogen 2.976 N/A TRP 167.A NE1 THR 13.A OG1 no hydrogen 3.011 N/A PHE 168.A N PHE 164.A O no hydrogen 2.831 N/A HIS 169.A N ALA 165.A O no hydrogen 2.852 N/A TYR 170.A N GLY 166.A O no hydrogen 2.976 N/A TYR 170.A OH GLU 57.A OE2 no hydrogen 2.439 N/A HIS 171.A N TRP 167.A O no hydrogen 2.859 N/A LYS 172.A N PHE 168.A O no hydrogen 3.366 N/A ALA 173.A N PHE 168.A O no hydrogen 2.672 N/A ALA 174.A N ASP 7.A O no hydrogen 2.949 N/A LYS 176.A N LEU 5.A O no hydrogen 2.884 N/A LEU 177.A N GLU 56.A OE1 no hydrogen 3.393 N/A TRP 179.A N LYS 176.A O no hydrogen 2.798 N/A GLN 181.A N LEU 177.A O no hydrogen 2.950 N/A GLN 181.A NE2 THR 335.A O no hydrogen 3.326 N/A LEU 187.A N VAL 183.A O no hydrogen 2.808 N/A ASN 188.A N GLU 184.A O no hydrogen 2.894 N/A ASN 188.A ND2 TYR 301.A O no hydrogen 2.809 N/A HIS 189.A N SER 185.A O no hydrogen 2.900 N/A HIS 189.A ND1 SER 185.A O no hydrogen 2.492 N/A HIS 190.A N MET 186.A O no hydrogen 2.893 N/A LEU 191.A N LEU 187.A O no hydrogen 2.884 N/A ALA 192.A N ASN 188.A O no hydrogen 2.905 N/A GLY 193.A N HIS 189.A O no hydrogen 2.775 N/A LEU 194.A N HIS 189.A O no hydrogen 2.890 N/A LEU 195.A N HIS 190.A O no hydrogen 3.134 N/A GLY 196.A N LEU 191.A O no hydrogen 2.527 N/A LEU 197.A N ALA 192.A O no hydrogen 2.793 N/A SER 199.A N LEU 195.A O no hydrogen 3.230 N/A SER 199.A OG LEU 195.A O no hydrogen 2.717 N/A SER 199.A OG GLY 196.A O no hydrogen 2.714 N/A LEU 200.A N GLY 196.A O no hydrogen 2.912 N/A SER 201.A N LEU 197.A O no hydrogen 2.834 N/A SER 201.A OG LEU 197.A O no hydrogen 2.632 N/A SER 201.A OG GLY 198.A O no hydrogen 2.999 N/A TRP 202.A N GLY 198.A O no hydrogen 2.933 N/A ALA 203.A N SER 199.A O no hydrogen 2.862 N/A GLY 204.A N LEU 200.A O no hydrogen 2.868 N/A HIS 205.A N SER 201.A O no hydrogen 2.905 N/A HIS 205.A NE2 SER 140.A O no hydrogen 3.213 N/A GLN 206.A N TRP 202.A O no hydrogen 2.903 N/A VAL 207.A N ALA 203.A O no hydrogen 2.829 N/A HIS 208.A N GLY 204.A O no hydrogen 2.926 N/A VAL 209.A N HIS 205.A O no hydrogen 2.533 N/A SER 210.A N HIS 205.A O no hydrogen 3.222 N/A SER 210.A OG ALA 139.A O no hydrogen 2.586 N/A LEU 211.A N GLN 206.A O no hydrogen 2.820 N/A ILE 213.A N VAL 209.A O no hydrogen 3.260 N/A ASN 214.A N SER 210.A O no hydrogen 2.844 N/A ASN 214.A ND2 ARG 138.A O no hydrogen 2.650 N/A ASN 214.A ND2 SER 210.A O no hydrogen 2.955 N/A GLN 215.A N LEU 211.A O no hydrogen 2.902 N/A PHE 216.A N PRO 212.A O no hydrogen 2.906 N/A LEU 217.A N ILE 213.A O no hydrogen 2.892 N/A ASN 218.A N ASN 214.A O no hydrogen 2.846 N/A ALA 219.A N GLN 215.A O no hydrogen 2.920 N/A GLY 220.A N PHE 216.A O no hydrogen 3.114 N/A GLY 220.A N LEU 217.A O no hydrogen 3.325 N/A LEU 228.A N GLU 231.A OE1 no hydrogen 3.171 N/A PHE 232.A N LEU 228.A O no hydrogen 3.349 N/A ILE 233.A N PRO 229.A O no hydrogen 2.971 N/A LEU 234.A N HIS 230.A O no hydrogen 2.886 N/A ASN 235.A N GLU 231.A O no hydrogen 2.914 N/A ARG 236.A NE PHE 246.A O no hydrogen 3.346 N/A ARG 236.A NH2 PHE 246.A O no hydrogen 3.151 N/A LEU 238.A N ASN 235.A O no hydrogen 3.279 N/A ALA 240.A N ARG 236.A O no hydrogen 2.880 N/A GLN 241.A N ASP 237.A O no hydrogen 2.868 N/A LEU 242.A N LEU 238.A O no hydrogen 2.967 N/A TYR 243.A N LEU 239.A O no hydrogen 2.769 N/A TYR 243.A OH GLN 215.A OE1 no hydrogen 2.585 N/A SER 245.A N GLU 263.A OE2 no hydrogen 2.594 N/A SER 245.A OG GLU 263.A OE2 no hydrogen 3.066 N/A PHE 246.A N TYR 243.A O no hydrogen 3.125 N/A ALA 247.A N PRO 244.A O no hydrogen 2.905 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.675 N/A PHE 254.A N ALA 250.A O no hydrogen 2.680 N/A THR 255.A N THR 251.A O no hydrogen 3.054 N/A THR 255.A OG1 THR 251.A O no hydrogen 2.596 N/A LEU 256.A N PHE 253.A O no hydrogen 2.963 N/A ASN 257.A N PRO 252.A O no hydrogen 2.794 N/A ASN 257.A ND2 THR 255.A O no hydrogen 3.335 N/A ASN 257.A ND2 THR 255.A OG1 no hydrogen 3.098 N/A TRP 258.A NE1 PHE 253.A O no hydrogen 3.125 N/A LYS 260.A N ASN 257.A O no hydrogen 3.147 N/A TYR 261.A N TRP 258.A O no hydrogen 2.899 N/A TYR 261.A OH GLY 249.A O no hydrogen 2.552 N/A SER 262.A N SER 259.A O no hydrogen 3.450 N/A PHE 264.A N TYR 261.A O no hydrogen 3.428 N/A THR 266.A OG1 THR 281.A OG1 no hydrogen 2.292 N/A ASP 272.A N GLY 277.A O no hydrogen 2.526 N/A THR 275.A N ASP 272.A O no hydrogen 3.379 N/A GLY 276.A N ASP 272.A O no hydrogen 2.666 N/A THR 281.A OG1 THR 266.A OG1 no hydrogen 2.292 N/A ILE 283.A N TRP 279.A O no hydrogen 2.934 N/A ALA 284.A N LEU 280.A O no hydrogen 2.890 N/A HIS 285.A N THR 281.A O no hydrogen 2.982 N/A HIS 286.A N ASP 282.A O no hydrogen 2.826 N/A HIS 287.A N ILE 283.A O no hydrogen 2.921 N/A HIS 287.A ND1 ILE 283.A O no hydrogen 2.924 N/A LEU 288.A N ALA 284.A O no hydrogen 2.957 N/A ALA 289.A N HIS 285.A O no hydrogen 2.906 N/A ILE 290.A N HIS 286.A O no hydrogen 2.833 N/A ALA 291.A N HIS 287.A O no hydrogen 2.869 N/A ILE 292.A N LEU 288.A O no hydrogen 2.978 N/A LEU 293.A N ALA 289.A O no hydrogen 2.905 N/A PHE 294.A N ILE 290.A O no hydrogen 2.888 N/A LEU 295.A N ALA 291.A O no hydrogen 2.859 N/A ILE 296.A N ILE 292.A O no hydrogen 2.963 N/A ALA 297.A N LEU 293.A O no hydrogen 2.903 N/A GLY 298.A N PHE 294.A O no hydrogen 2.873 N/A HIS 299.A ND1 LEU 295.A O no hydrogen 2.471 N/A ARG 302.A N HIS 309.A O no hydrogen 2.536 N/A HIS 309.A N MET 300.A O no hydrogen 2.793 N/A ILE 314.A N GLY 310.A O no hydrogen 2.555 N/A LEU 315.A N ILE 311.A O no hydrogen 2.895 N/A GLU 316.A N LYS 312.A O no hydrogen 2.904 N/A ALA 317.A N ILE 314.A O no hydrogen 3.129 N/A GLN 325.A NE2 ASP 414.A OD2 no hydrogen 3.151 N/A TYR 331.A OH GLU 184.A OE2 no hydrogen 3.118 N/A ILE 333.A N GLY 329.A O no hydrogen 3.169 N/A LEU 334.A N LEU 330.A O no hydrogen 2.912 N/A THR 335.A N TYR 331.A O no hydrogen 3.148 N/A THR 335.A OG1 TYR 331.A O no hydrogen 2.637 N/A THR 336.A N ILE 333.A O no hydrogen 3.383 N/A THR 336.A OG1 GLU 332.A O no hydrogen 2.573 N/A TRP 338.A NE1 SER 59.A OG no hydrogen 2.489 N/A ALA 340.A N SER 337.A OG no hydrogen 3.337 N/A GLN 341.A N SER 337.A O no hydrogen 3.460 N/A LEU 342.A N TRP 338.A O no hydrogen 2.842 N/A SER 343.A N HIS 339.A O no hydrogen 2.866 N/A SER 343.A OG ALA 340.A O no hydrogen 2.727 N/A LEU 344.A N ALA 340.A O no hydrogen 2.969 N/A ASN 345.A N GLN 341.A O no hydrogen 2.844 N/A ASN 345.A ND2 GLN 341.A OE1 no hydrogen 3.324 N/A LEU 346.A N LEU 342.A O no hydrogen 2.838 N/A ALA 347.A N SER 343.A O no hydrogen 2.924 N/A MET 348.A N LEU 344.A O no hydrogen 3.025 N/A LEU 349.A N ASN 345.A O no hydrogen 2.840 N/A GLY 350.A N LEU 346.A O no hydrogen 2.882 N/A SER 351.A N ALA 347.A O no hydrogen 2.960 N/A SER 351.A OG ALA 347.A O no hydrogen 3.276 N/A LEU 352.A N MET 348.A O no hydrogen 2.862 N/A THR 353.A N LEU 349.A O no hydrogen 2.866 N/A THR 353.A OG1 LEU 349.A O no hydrogen 2.455 N/A THR 353.A OG1 GLY 350.A O no hydrogen 3.567 N/A ILE 354.A N GLY 350.A O no hydrogen 2.958 N/A ILE 355.A N SER 351.A O no hydrogen 2.880 N/A VAL 356.A N LEU 352.A O no hydrogen 2.788 N/A ALA 357.A N THR 353.A O no hydrogen 2.971 N/A HIS 358.A N ILE 354.A O no hydrogen 2.949 N/A HIS 359.A N ILE 355.A O no hydrogen 2.886 N/A MET 360.A N VAL 356.A O no hydrogen 2.876 N/A MET 360.A N ALA 357.A O no hydrogen 3.270 N/A TYR 361.A N ALA 357.A O no hydrogen 3.036 N/A SER 362.A OG HIS 358.A O no hydrogen 3.274 N/A MET 363.A N HIS 359.A O no hydrogen 3.144 N/A TYR 368.A N THR 275.A O no hydrogen 2.903 N/A TYR 373.A OH GLY 610.A O no hydrogen 2.941 N/A THR 375.A OG1 ASP 372.A OD2 no hydrogen 2.207 N/A GLN 376.A N ASP 372.A O no hydrogen 3.092 N/A GLN 376.A NE2 TYR 361.A O no hydrogen 2.845 N/A LEU 377.A N TYR 373.A O no hydrogen 2.903 N/A SER 378.A N ALA 374.A O no hydrogen 2.866 N/A SER 378.A OG ALA 374.A O no hydrogen 2.239 N/A LEU 379.A N THR 375.A O no hydrogen 2.889 N/A PHE 380.A N GLN 376.A O no hydrogen 2.967 N/A THR 381.A N LEU 377.A O no hydrogen 2.907 N/A THR 381.A OG1 LEU 377.A O no hydrogen 2.384 N/A HIS 382.A N SER 378.A O no hydrogen 2.831 N/A HIS 383.A N LEU 379.A O no hydrogen 2.953 N/A HIS 383.A ND1 LEU 379.A O no hydrogen 2.927 N/A MET 384.A N PHE 380.A O no hydrogen 2.911 N/A TRP 385.A N THR 381.A O no hydrogen 2.970 N/A ILE 386.A N HIS 382.A O no hydrogen 2.859 N/A GLY 387.A N HIS 383.A O no hydrogen 2.894 N/A GLY 388.A N MET 384.A O no hydrogen 2.956 N/A PHE 389.A N TRP 385.A O no hydrogen 2.914 N/A LEU 390.A N ILE 386.A O no hydrogen 2.864 N/A ILE 391.A N GLY 387.A O no hydrogen 2.933 N/A VAL 392.A N GLY 388.A O no hydrogen 2.963 N/A GLY 393.A N PHE 389.A O no hydrogen 2.884 N/A ALA 394.A N LEU 390.A O no hydrogen 2.889 N/A ALA 395.A N ILE 391.A O no hydrogen 2.998 N/A ALA 396.A N VAL 392.A O no hydrogen 2.985 N/A HIS 397.A N GLY 393.A O no hydrogen 2.945 N/A ALA 398.A N ALA 394.A O no hydrogen 2.875 N/A ALA 399.A N ALA 395.A O no hydrogen 2.940 N/A ILE 400.A N ALA 396.A O no hydrogen 2.927 N/A PHE 401.A N HIS 397.A O no hydrogen 2.925 N/A MET 402.A N ALA 398.A O no hydrogen 2.940 N/A VAL 403.A N ALA 399.A O no hydrogen 2.941 N/A ARG 404.A N ILE 400.A O no hydrogen 3.084 N/A ARG 404.A NH1 ASP 47.A OD1 no hydrogen 2.571 N/A ARG 404.A NH1 ASP 47.A OD2 no hydrogen 3.398 N/A ARG 404.A NH2 ASP 47.A OD1 no hydrogen 3.420 N/A ARG 404.A NH2 ASP 47.A OD2 no hydrogen 2.645 N/A THR 409.A N ASP 407.A OD1 no hydrogen 3.263 N/A THR 409.A OG1 ASP 407.A OD1 no hydrogen 3.321 N/A ARG 411.A N ASP 407.A O no hydrogen 2.869 N/A LEU 415.A N ASN 413.A OD1 no hydrogen 3.436 N/A ASP 417.A N ASN 413.A O no hydrogen 3.336 N/A ARG 418.A N ASP 414.A O no hydrogen 2.908 N/A ARG 418.A NH1 ASP 414.A OD1 no hydrogen 3.352 N/A VAL 419.A N LEU 415.A O no hydrogen 2.889 N/A LEU 420.A N LEU 416.A O no hydrogen 2.907 N/A ARG 421.A N ASP 417.A O no hydrogen 2.912 N/A HIS 422.A N ARG 418.A O no hydrogen 3.466 N/A HIS 422.A ND1 ARG 418.A O no hydrogen 2.482 N/A ARG 423.A NH1 LEU 545.A O no hydrogen 3.132 N/A ILE 426.A N HIS 422.A O no hydrogen 3.218 N/A ILE 427.A N ARG 423.A O no hydrogen 2.946 N/A SER 428.A N ASP 424.A O no hydrogen 2.846 N/A SER 428.A OG ASP 424.A O no hydrogen 2.363 N/A HIS 429.A N ALA 425.A O no hydrogen 2.943 N/A HIS 429.A ND1 ALA 425.A O no hydrogen 2.514 N/A LEU 430.A N ILE 426.A O no hydrogen 2.940 N/A ASN 431.A N ILE 427.A O no hydrogen 2.841 N/A TRP 432.A N SER 428.A O no hydrogen 2.896 N/A VAL 433.A N HIS 429.A O no hydrogen 2.910 N/A CYS 434.A N LEU 430.A O no hydrogen 2.892 N/A CYS 434.A SG LEU 430.A O no hydrogen 3.039 N/A ILE 435.A N ASN 431.A O no hydrogen 2.939 N/A PHE 436.A N TRP 432.A O no hydrogen 2.837 N/A LEU 437.A N VAL 433.A O no hydrogen 2.858 N/A GLY 438.A N CYS 434.A O no hydrogen 2.859 N/A PHE 439.A N ILE 435.A O no hydrogen 2.931 N/A HIS 440.A N PHE 436.A O no hydrogen 2.886 N/A HIS 440.A ND1 PHE 436.A O no hydrogen 2.747 N/A SER 441.A OG LEU 437.A O no hydrogen 2.626 N/A PHE 442.A N GLY 438.A O no hydrogen 2.875 N/A GLY 443.A N GLY 438.A O no hydrogen 3.423 N/A GLY 443.A N PHE 439.A O no hydrogen 2.774 N/A TYR 445.A N SER 441.A O no hydrogen 3.071 N/A TYR 445.A OH SER 630.A O no hydrogen 3.312 N/A ILE 446.A N PHE 442.A O no hydrogen 2.830 N/A HIS 447.A N GLY 443.A O no hydrogen 2.800 N/A HIS 447.A NE2 ASP 459.A O no hydrogen 2.531 N/A ASN 448.A N LEU 444.A O no hydrogen 2.918 N/A ASN 448.A ND2 PHE 461.A O no hydrogen 3.330 N/A ASN 448.A ND2 ILE 631.A O no hydrogen 2.782 N/A ASP 449.A N TYR 445.A O no hydrogen 2.914 N/A THR 450.A N ILE 446.A O no hydrogen 2.875 N/A THR 450.A OG1 ILE 446.A O no hydrogen 2.549 N/A MET 451.A N HIS 447.A O no hydrogen 2.880 N/A SER 452.A N ASN 448.A O no hydrogen 2.897 N/A ALA 453.A N ASP 449.A O no hydrogen 2.897 N/A LEU 454.A N THR 450.A O no hydrogen 2.704 N/A ARG 456.A N MET 451.A O no hydrogen 2.627 N/A ARG 456.A NE ASP 459.A OD2 no hydrogen 2.954 N/A ARG 456.A NH2 ASP 459.A OD2 no hydrogen 2.999 N/A ASP 459.A N ARG 456.A O no hydrogen 2.989 N/A MET 460.A N PRO 457.A O no hydrogen 3.468 N/A PHE 461.A N ASN 448.A OD1 no hydrogen 2.606 N/A SER 462.A N ILE 466.A O no hydrogen 2.990 N/A SER 462.A OG THR 464.A OG1 no hydrogen 3.125 N/A THR 464.A OG1 SER 462.A OG no hydrogen 3.125 N/A GLN 467.A NE2 ASP 463.A O no hydrogen 2.417 N/A GLN 469.A NE2 GLN 467.A OE1 no hydrogen 3.459 N/A GLN 474.A N PRO 470.A O no hydrogen 2.889 N/A GLN 474.A NE2 GLN 469.A OE1 no hydrogen 2.588 N/A GLN 474.A NE2 LEU 518.A O no hydrogen 2.547 N/A TRP 475.A N VAL 471.A O no hydrogen 2.875 N/A ILE 476.A N PHE 472.A O no hydrogen 2.932 N/A GLN 477.A N ALA 473.A O no hydrogen 2.917 N/A GLN 477.A NE2 ILE 516.A O no hydrogen 2.996 N/A ASN 478.A N GLN 474.A O no hydrogen 2.898 N/A THR 479.A N TRP 475.A O no hydrogen 2.904 N/A THR 479.A OG1 TRP 475.A O no hydrogen 3.309 N/A THR 479.A OG1 ILE 476.A O no hydrogen 2.607 N/A HIS 480.A N ILE 476.A O no hydrogen 2.900 N/A ALA 481.A N GLN 477.A O no hydrogen 2.905 N/A LEU 482.A N THR 479.A O no hydrogen 2.776 N/A VAL 486.A N ALA 483.A O no hydrogen 3.284 N/A THR 487.A N ALA 483.A O no hydrogen 2.966 N/A THR 487.A OG1 ALA 483.A O no hydrogen 2.719 N/A ALA 488.A N ALA 483.A O no hydrogen 3.133 N/A GLU 491.A N ALA 488.A O no hydrogen 3.153 N/A SER 494.A OG SER 496.A O no hydrogen 2.709 N/A SER 494.A OG GLU 503.A OE1 no hydrogen 3.427 N/A THR 495.A OG1 GLU 491.A OE2 no hydrogen 3.037 N/A SER 496.A OG SER 362.A O no hydrogen 2.996 N/A ALA 506.A N LEU 504.A O no hydrogen 2.932 N/A LYS 510.A NZ THR 371.A O no hydrogen 3.417 N/A VAL 511.A N TYR 373.A OH no hydrogen 3.035 N/A GLY 519.A N ASP 522.A OD2 no hydrogen 3.225 N/A THR 520.A N ASP 463.A OD1 no hydrogen 3.012 N/A THR 520.A OG1 ASP 463.A OD1 no hydrogen 2.639 N/A PHE 523.A N GLY 519.A O no hydrogen 3.184 N/A LEU 524.A N THR 520.A O no hydrogen 2.932 N/A VAL 525.A N ALA 521.A O no hydrogen 2.907 N/A HIS 526.A N ASP 522.A O no hydrogen 2.866 N/A HIS 526.A ND1 ASP 522.A O no hydrogen 2.670 N/A HIS 527.A N PHE 523.A O no hydrogen 2.957 N/A HIS 527.A ND1 PHE 523.A O no hydrogen 3.190 N/A ILE 528.A N LEU 524.A O no hydrogen 2.913 N/A HIS 529.A N VAL 525.A O no hydrogen 2.901 N/A ALA 530.A N HIS 526.A O no hydrogen 2.902 N/A PHE 531.A N HIS 527.A O no hydrogen 2.842 N/A THR 532.A N ILE 528.A O no hydrogen 2.887 N/A THR 532.A OG1 ILE 528.A O no hydrogen 3.103 N/A THR 532.A OG1 HIS 529.A O no hydrogen 2.992 N/A ILE 533.A N HIS 529.A O no hydrogen 2.915 N/A HIS 534.A N ALA 530.A O no hydrogen 2.878 N/A HIS 534.A ND1 ALA 530.A O no hydrogen 2.687 N/A VAL 535.A N PHE 531.A O no hydrogen 2.928 N/A THR 536.A N THR 532.A O no hydrogen 2.948 N/A THR 536.A OG1 THR 532.A O no hydrogen 2.971 N/A VAL 537.A N ILE 533.A O no hydrogen 2.869 N/A LEU 538.A N HIS 534.A O no hydrogen 2.824 N/A ILE 539.A N VAL 535.A O no hydrogen 2.970 N/A LEU 540.A N THR 536.A O no hydrogen 2.944 N/A LEU 541.A N VAL 537.A O no hydrogen 2.828 N/A LYS 542.A N LEU 538.A O no hydrogen 2.865 N/A LYS 542.A NZ HIS 581.A NE2 no hydrogen 3.432 N/A GLY 543.A N ILE 539.A O no hydrogen 2.972 N/A VAL 544.A N LEU 540.A O no hydrogen 2.916 N/A LEU 545.A N LEU 541.A O no hydrogen 2.869 N/A PHE 546.A N LYS 542.A O no hydrogen 2.898 N/A ALA 547.A N VAL 544.A O no hydrogen 3.316 N/A ARG 548.A NH2 MET 402.A O no hydrogen 2.664 N/A ARG 548.A NH2 VAL 403.A O no hydrogen 2.831 N/A SER 549.A OG PRO 554.A O no hydrogen 3.375 N/A SER 550.A N ILE 553.A O no hydrogen 3.051 N/A ARG 551.A NH2 ASP 424.A OD2 no hydrogen 2.479 N/A LEU 552.A N SER 550.A OG no hydrogen 2.647 N/A ILE 553.A N SER 550.A OG no hydrogen 3.013 N/A LYS 556.A NZ PHE 546.A O no hydrogen 2.513 N/A LYS 556.A NZ VAL 576.A O no hydrogen 2.759 N/A ALA 557.A N ARG 548.A O no hydrogen 2.975 N/A LEU 559.A N LYS 556.A O no hydrogen 2.935 N/A GLY 560.A N LYS 556.A O no hydrogen 3.127 N/A ARG 562.A NH2 ASP 44.A OD1 no hydrogen 3.440 N/A ARG 562.A NH2 ASP 44.A OD2 no hydrogen 3.257 N/A ASP 566.A N THR 573.A OG1 no hydrogen 3.105 N/A ARG 570.A NH1 ASP 566.A O no hydrogen 3.378 N/A ARG 570.A NH2 ASP 566.A OD2 no hydrogen 2.449 N/A THR 573.A OG1 GLY 567.A O no hydrogen 2.422 N/A SER 577.A OG PHE 563.A O no hydrogen 3.150 N/A SER 577.A OG ASP 580.A OD2 no hydrogen 2.782 N/A TRP 579.A N PHE 561.A O no hydrogen 3.249 N/A ASP 580.A N SER 577.A OG no hydrogen 2.941 N/A HIS 581.A N SER 577.A O no hydrogen 3.260 N/A HIS 581.A ND1 SER 577.A O no hydrogen 2.427 N/A VAL 582.A N ALA 578.A O no hydrogen 2.988 N/A PHE 583.A N TRP 579.A O no hydrogen 2.890 N/A LEU 584.A N ASP 580.A O no hydrogen 3.012 N/A GLY 585.A N HIS 581.A O no hydrogen 2.841 N/A LEU 586.A N VAL 582.A O no hydrogen 2.884 N/A TRP 588.A N LEU 584.A O no hydrogen 3.036 N/A MET 589.A N GLY 585.A O no hydrogen 2.782 N/A TYR 590.A N LEU 586.A O no hydrogen 2.858 N/A ASN 591.A N PHE 587.A O no hydrogen 2.939 N/A ALA 592.A N TRP 588.A O no hydrogen 2.865 N/A ILE 593.A N MET 589.A O no hydrogen 2.858 N/A SER 594.A N TYR 590.A O no hydrogen 2.843 N/A SER 594.A OG TYR 590.A O no hydrogen 3.173 N/A SER 594.A OG ASN 591.A O no hydrogen 2.947 N/A VAL 595.A N ASN 591.A O no hydrogen 2.982 N/A VAL 596.A N ALA 592.A O no hydrogen 2.902 N/A ILE 597.A N ILE 593.A O no hydrogen 2.885 N/A PHE 598.A N SER 594.A O no hydrogen 2.902 N/A HIS 599.A N VAL 595.A O no hydrogen 2.898 N/A PHE 600.A N VAL 596.A O no hydrogen 2.872 N/A SER 601.A N ILE 597.A O no hydrogen 2.866 N/A SER 601.A OG PHE 598.A O no hydrogen 3.376 N/A TRP 602.A N PHE 598.A O no hydrogen 2.946 N/A TRP 602.A NE1 ASN 625.A OD1 no hydrogen 2.765 N/A LYS 603.A N HIS 599.A O no hydrogen 2.865 N/A LYS 603.A NZ PRO 517.A O no hydrogen 3.062 N/A LYS 603.A NZ ASP 522.A OD1 no hydrogen 3.217 N/A LYS 603.A NZ ASP 522.A OD2 no hydrogen 2.438 N/A LYS 603.A NZ ASP 607.A OD2 no hydrogen 2.778 N/A MET 604.A N PHE 600.A O no hydrogen 2.923 N/A GLN 605.A N SER 601.A O no hydrogen 2.888 N/A GLN 605.A NE2 GLN 644.A OE1 no hydrogen 3.373 N/A SER 606.A N TRP 602.A O no hydrogen 2.896 N/A SER 606.A OG TRP 602.A O no hydrogen 3.284 N/A SER 606.A OG LYS 603.A O no hydrogen 3.485 N/A SER 606.A OG ASP 607.A OD1 no hydrogen 2.546 N/A ASP 607.A N LYS 603.A O no hydrogen 2.873 N/A VAL 608.A N MET 604.A O no hydrogen 3.080 N/A TRP 609.A N MET 604.A O no hydrogen 2.449 N/A GLY 610.A N TYR 373.A OH no hydrogen 3.345 N/A SER 611.A N THR 619.A O no hydrogen 2.898 N/A SER 613.A N VAL 617.A O no hydrogen 3.387 N/A SER 613.A OG VAL 617.A O no hydrogen 2.770 N/A VAL 617.A N SER 613.A OG no hydrogen 3.084 N/A THR 619.A N SER 611.A O no hydrogen 2.901 N/A ILE 621.A N TRP 609.A O no hydrogen 3.219 N/A THR 622.A N GLN 605.A O no hydrogen 2.929 N/A THR 622.A OG1 ASN 625.A OD1 no hydrogen 3.464 N/A GLN 628.A NE2 THR 464.A OG1 no hydrogen 3.148 N/A GLN 628.A NE2 ALA 627.A O no hydrogen 3.445 N/A SER 629.A N ASN 625.A O no hydrogen 3.061 N/A SER 629.A OG ASN 625.A O no hydrogen 3.356 N/A SER 629.A OG ASP 639.A OD2 no hydrogen 2.360 N/A SER 630.A N PHE 626.A O no hydrogen 3.300 N/A SER 630.A OG PHE 626.A O no hydrogen 2.303 N/A THR 632.A N SER 629.A O no hydrogen 3.274 N/A THR 632.A OG1 SER 629.A O no hydrogen 3.151 N/A ILE 633.A N ASP 449.A OD1 no hydrogen 2.827 N/A GLY 635.A N THR 632.A O no hydrogen 3.024 N/A TRP 636.A N THR 632.A O no hydrogen 3.241 N/A LEU 637.A N ILE 633.A O no hydrogen 2.917 N/A ARG 638.A N GLY 635.A O no hydrogen 3.230 N/A ASP 639.A N GLY 635.A O no hydrogen 2.615 N/A PHE 640.A N GLY 635.A O no hydrogen 3.224 N/A LEU 641.A N TRP 636.A O no hydrogen 2.720 N/A TRP 642.A N LEU 637.A O no hydrogen 2.902 N/A GLN 644.A N PHE 640.A O no hydrogen 3.047 N/A ALA 645.A N LEU 641.A O no hydrogen 3.365 N/A SER 646.A OG TRP 642.A O no hydrogen 3.563 N/A SER 646.A OG ALA 643.A O no hydrogen 2.678 N/A GLN 647.A N GLN 647.A OE1 no hydrogen 2.823 N/A ILE 649.A N SER 646.A O no hydrogen 3.353 N/A GLN 650.A N SER 646.A O no hydrogen 2.655 N/A TYR 652.A N SER 651.A OG no hydrogen 2.533 N/A SER 655.A OG LEU 116.A O no hydrogen 2.963 N/A SER 657.A N SER 654.A O no hydrogen 3.035 N/A GLY 660.A N LEU 656.A O no hydrogen 2.887 N/A LEU 661.A N SER 657.A O no hydrogen 2.636 N/A PHE 662.A N ALA 658.A O no hydrogen 2.529 N/A PHE 663.A N TYR 659.A O no hydrogen 2.953 N/A PHE 663.A N GLY 660.A O no hydrogen 2.972 N/A LEU 664.A N GLY 660.A O no hydrogen 3.368 N/A GLY 665.A N LEU 661.A O no hydrogen 3.023 N/A ALA 666.A N PHE 662.A O no hydrogen 3.243 N/A HIS 667.A N PHE 663.A O no hydrogen 2.777 N/A PHE 668.A N LEU 664.A O no hydrogen 2.711 N/A VAL 669.A N GLY 665.A O no hydrogen 2.889 N/A TRP 670.A N ALA 666.A O no hydrogen 3.150 N/A PHE 672.A N PHE 668.A O no hydrogen 2.530 N/A SER 673.A N VAL 669.A O no hydrogen 2.710 N/A SER 673.A OG TRP 670.A O no hydrogen 2.727 N/A LEU 674.A N TRP 670.A O no hydrogen 3.323 N/A LEU 674.A N ALA 671.A O no hydrogen 2.912 N/A MET 675.A N PHE 672.A O no hydrogen 3.054 N/A PHE 676.A N SER 673.A O no hydrogen 2.734 N/A LEU 677.A N SER 673.A O no hydrogen 3.139 N/A SER 679.A OG MET 675.A O no hydrogen 2.539 N/A ARG 681.A NE ALA 708.A O no hydrogen 3.198 N/A GLN 685.A N ARG 681.A O no hydrogen 2.874 N/A GLU 686.A N GLY 682.A O no hydrogen 3.014 N/A LEU 687.A N TYR 683.A O no hydrogen 2.920 N/A ILE 688.A N TRP 684.A O no hydrogen 2.851 N/A GLU 689.A N GLN 685.A O no hydrogen 2.852 N/A SER 690.A N GLU 686.A O no hydrogen 3.023 N/A SER 690.A OG GLU 686.A O no hydrogen 2.959 N/A ILE 691.A N LEU 687.A O no hydrogen 2.971 N/A VAL 692.A N ILE 688.A O no hydrogen 2.774 N/A TRP 693.A N GLU 689.A O no hydrogen 2.919 N/A ALA 694.A N SER 690.A O no hydrogen 2.999 N/A HIS 695.A N ILE 691.A O no hydrogen 2.928 N/A HIS 695.A N VAL 692.A O no hydrogen 3.237 N/A HIS 695.A ND1 ILE 691.A O no hydrogen 2.819 N/A ASN 696.A N VAL 692.A O no hydrogen 2.842 N/A LYS 697.A N TRP 693.A O no hydrogen 3.094 N/A LEU 698.A N HIS 695.A O no hydrogen 3.153 N/A LYS 699.A N ASN 696.A O no hydrogen 3.508 N/A VAL 700.A N HIS 695.A O no hydrogen 3.150 N/A ARG 707.A N THR 35.A OG1 no hydrogen 2.920 N/A ARG 707.A NH1 PRO 706.A O no hydrogen 3.279 N/A GLY 714.A N SER 710.A O no hydrogen 2.519 N/A ARG 715.A N ILE 711.A O no hydrogen 2.950 N/A ARG 715.A NH1 PRO 564.A O no hydrogen 3.111 N/A ARG 715.A NH1 ASP 580.A OD1 no hydrogen 2.796 N/A ARG 715.A NH2 CYS 574.A O no hydrogen 2.732 N/A ALA 716.A N ILE 712.A O no hydrogen 2.848 N/A VAL 717.A N GLN 713.A O no hydrogen 2.862 N/A GLY 718.A N GLY 714.A O no hydrogen 2.902 N/A VAL 719.A N ARG 715.A O no hydrogen 2.898 N/A THR 720.A N ALA 716.A O no hydrogen 2.864 N/A THR 720.A OG1 ALA 716.A O no hydrogen 2.341 N/A HIS 721.A N VAL 717.A O no hydrogen 2.913 N/A HIS 721.A ND1 VAL 717.A O no hydrogen 2.960 N/A TYR 722.A N GLY 718.A O no hydrogen 2.845 N/A LEU 723.A N VAL 719.A O no hydrogen 2.915 N/A LEU 724.A N THR 720.A O no hydrogen 2.902 N/A GLY 725.A N HIS 721.A O no hydrogen 2.839 N/A GLY 726.A N TYR 722.A O no hydrogen 2.931 N/A ILE 727.A N LEU 723.A O no hydrogen 2.850 N/A ALA 728.A N LEU 724.A O no hydrogen 2.818 N/A THR 729.A N GLY 725.A O no hydrogen 2.882 N/A THR 729.A OG1 GLY 725.A O no hydrogen 2.861 N/A THR 730.A N GLY 726.A O no hydrogen 2.968 N/A THR 730.A OG1 GLY 726.A O no hydrogen 2.777 N/A TRP 731.A N ILE 727.A O no hydrogen 2.827 N/A ALA 732.A N ALA 728.A O no hydrogen 2.887 N/A PHE 733.A N THR 729.A O no hydrogen 2.905 N/A PHE 734.A N THR 730.A O no hydrogen 2.837 N/A LEU 735.A N TRP 731.A O no hydrogen 2.907 N/A ALA 736.A N ALA 732.A O no hydrogen 2.900 N/A ARG 737.A N PHE 733.A O no hydrogen 2.955 N/A ARG 737.A NE GLN 605.A OE1 no hydrogen 3.109 N/A ARG 737.A NH1 GLN 647.A OE1 no hydrogen 2.915 N/A ARG 737.A NH2 GLN 605.A OE1 no hydrogen 3.450 N/A ILE 738.A N PHE 734.A O no hydrogen 2.907 N/A ILE 739.A N LEU 735.A O no hydrogen 2.892 N/A ALA 740.A N ALA 736.A O no hydrogen 2.957 N/A ALA 740.A N ARG 737.A O no hydrogen 3.204 N/A GLY 742.A N ILE 738.A O no hydrogen 3.019 N/A