Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ala_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ALA 692.A O no hydrogen 2.999 N/A GLN 5.A NE2 GLN 270.A O no hydrogen 2.984 N/A SER 11.A N GLU 14.A OE1 no hydrogen 2.968 N/A SER 11.A OG GLU 14.A OE1 no hydrogen 3.281 N/A GLU 13.A N GLU 13.A OE2 no hydrogen 2.711 N/A GLU 14.A N SER 11.A OG no hydrogen 3.267 N/A LEU 15.A N SER 11.A O no hydrogen 2.924 N/A THR 16.A N ARG 12.A O no hydrogen 2.946 N/A THR 16.A OG1 ARG 12.A O no hydrogen 3.282 N/A ALA 17.A N GLU 13.A O no hydrogen 2.553 N/A VAL 18.A N GLU 14.A O no hydrogen 2.997 N/A VAL 18.A N LEU 15.A O no hydrogen 3.110 N/A MET 19.A N LEU 15.A O no hydrogen 2.974 N/A ARG 20.A N THR 16.A O no hydrogen 2.826 N/A PHE 21.A N ALA 17.A O no hydrogen 3.130 N/A LEU 22.A N VAL 18.A O no hydrogen 2.822 N/A THR 23.A N MET 19.A O no hydrogen 2.844 N/A THR 23.A OG1 MET 19.A O no hydrogen 3.138 N/A GLN 24.A N ARG 20.A O no hydrogen 3.130 N/A ARG 25.A N PHE 21.A O no hydrogen 2.971 N/A LEU 26.A N LEU 22.A O no hydrogen 2.786 N/A VAL 31.A N ASN 41.A O no hydrogen 2.914 N/A ALA 34.A N ASP 32.A OD1 no hydrogen 2.663 N/A GLN 35.A N ASP 32.A O no hydrogen 2.812 N/A ALA 36.A N ALA 33.A O no hydrogen 3.127 N/A ARG 37.A N ASP 40.A OD2 no hydrogen 2.667 N/A ARG 37.A NH1 ASP 125.A OD2 no hydrogen 2.945 N/A ASP 40.A N ARG 37.A O no hydrogen 2.872 N/A CYS 42.A N PHE 76.A O no hydrogen 2.791 N/A PHE 44.A N ILE 74.A O no hydrogen 2.759 N/A SER 45.A N ILE 74.A O no hydrogen 3.438 N/A VAL 46.A N LEU 360.A O no hydrogen 3.168 N/A GLU 47.A N LEU 72.A O no hydrogen 3.006 N/A GLN 49.A N GLU 70.A O no hydrogen 3.234 N/A GLN 49.A NE2 LEU 50.A O no hydrogen 2.845 N/A LYS 53.A N GLU 582.A OE2 no hydrogen 2.753 N/A LYS 53.A NZ ASP 472.A OD1 no hydrogen 3.363 N/A LYS 53.A NZ ASP 472.A OD2 no hydrogen 2.821 N/A LYS 53.A NZ ASP 474.A OD2 no hydrogen 3.262 N/A LYS 53.A NZ ASP 616.A OD1 no hydrogen 3.164 N/A LYS 53.A NZ ASP 616.A OD2 no hydrogen 2.484 N/A ALA 56.A N PRO 52.A O no hydrogen 2.998 N/A LEU 57.A N LYS 53.A O no hydrogen 2.773 N/A ALA 58.A N ALA 54.A O no hydrogen 2.924 N/A HIS 59.A N ALA 55.A O no hydrogen 3.065 N/A HIS 59.A ND1 SER 64.A O no hydrogen 2.783 N/A LEU 60.A N ALA 56.A O no hydrogen 2.963 N/A ASP 61.A N LEU 57.A O no hydrogen 2.747 N/A SER 64.A N ALA 58.A O no hydrogen 3.088 N/A SER 64.A OG ALA 58.A O no hydrogen 3.564 N/A ARG 69.A NE GLU 14.A OE2 no hydrogen 2.724 N/A ARG 69.A NH1 ALA 8.A O no hydrogen 3.108 N/A ARG 69.A NH2 ALA 8.A O no hydrogen 2.881 N/A ARG 69.A NH2 ASP 9.A O no hydrogen 3.435 N/A ARG 69.A NH2 GLU 14.A OE1 no hydrogen 3.205 N/A ALA 71.A N VAL 90.A O no hydrogen 2.905 N/A LEU 72.A N GLU 47.A O no hydrogen 2.710 N/A ALA 73.A N LEU 88.A O no hydrogen 2.831 N/A ILE 74.A N SER 45.A O no hydrogen 2.993 N/A VAL 75.A N SER 86.A O no hydrogen 2.998 N/A PHE 76.A N CYS 42.A O no hydrogen 2.711 N/A PHE 77.A N ASN 84.A O no hydrogen 2.944 N/A GLY 78.A N ASP 40.A O no hydrogen 2.930 N/A ARG 79.A N ASN 41.A OD1 no hydrogen 2.752 N/A ASN 84.A N PHE 77.A O no hydrogen 3.280 N/A VAL 85.A N LEU 111.A O no hydrogen 3.137 N/A SER 86.A N VAL 75.A O no hydrogen 2.982 N/A SER 86.A OG ASN 84.A OD1 no hydrogen 2.976 N/A GLU 87.A N THR 103.A OG1 no hydrogen 2.646 N/A LEU 88.A N ALA 73.A O no hydrogen 2.914 N/A VAL 89.A N ARG 100.A O no hydrogen 2.875 N/A VAL 90.A N ALA 71.A O no hydrogen 2.907 N/A GLY 91.A N TYR 98.A O no hydrogen 3.461 N/A LEU 93.A N ARG 69.A O no hydrogen 2.812 N/A SER 97.A N GLY 91.A O no hydrogen 2.893 N/A TYR 98.A N GLY 91.A O no hydrogen 2.834 N/A TYR 98.A OH GLU 70.A OE2 no hydrogen 2.780 N/A ARG 100.A N VAL 89.A O no hydrogen 2.915 N/A VAL 102.A N GLU 87.A O no hydrogen 2.994 N/A THR 103.A OG1 ASP 101.A OD1 no hydrogen 3.072 N/A ARG 106.A N VAL 102.A O no hydrogen 2.753 N/A ARG 106.A NH1 GLN 49.A OE1 no hydrogen 3.494 N/A ARG 106.A NH2 GLN 49.A OE1 no hydrogen 2.913 N/A HIS 107.A N THR 103.A O no hydrogen 2.733 N/A HIS 107.A NE2 GLU 87.A OE1 no hydrogen 3.300 N/A TYR 113.A OH PRO 38.A O no hydrogen 2.542 N/A HIS 114.A NE2 ASP 595.A OD2 no hydrogen 2.990 N/A ARG 115.A N PRO 112.A O no hydrogen 3.191 N/A ARG 115.A NE ASP 595.A OD2 no hydrogen 3.169 N/A ARG 116.A N TYR 113.A O no hydrogen 3.147 N/A ARG 116.A NE.B TYR 113.A O no hydrogen 2.447 N/A PHE 120.A N GLU 362.A OE1 no hydrogen 2.630 N/A GLN 121.A NE2 ASP 125.A OD1 no hydrogen 2.686 N/A TYR 123.A N LEU 119.A O no hydrogen 3.021 N/A LEU 124.A N PHE 120.A O no hydrogen 3.063 N/A ASP 125.A N GLN 121.A O no hydrogen 2.846 N/A ILE 126.A N GLU 122.A O no hydrogen 2.991 N/A ASP 127.A N TYR 123.A O no hydrogen 3.016 N/A GLN 128.A N LEU 124.A O no hydrogen 2.914 N/A MET 129.A N ASP 125.A O no hydrogen 3.017 N/A ILE 130.A N ILE 126.A O no hydrogen 3.063 N/A PHE 131.A N ASP 127.A O no hydrogen 2.806 N/A ASN 132.A N GLN 128.A O no hydrogen 2.770 N/A LEU 135.A N ILE 130.A O no hydrogen 2.718 N/A GLN 137.A N GLU 134.A O no hydrogen 3.007 N/A GLN 137.A NE2 ARG 133.A O no hydrogen 3.079 N/A ALA 138.A N LEU 135.A O no hydrogen 2.852 N/A SER 139.A N PRO 136.A O no hydrogen 3.122 N/A SER 139.A OG PRO 136.A O no hydrogen 3.101 N/A GLY 140.A N GLU 222.A OE2 no hydrogen 2.921 N/A LEU 141.A N GLU 222.A OE1 no hydrogen 3.013 N/A LEU 142.A N ALA 138.A O no hydrogen 2.951 N/A HIS 143.A N SER 139.A O no hydrogen 2.874 N/A HIS 143.A ND1 SER 139.A O no hydrogen 2.577 N/A HIS 144.A N GLY 140.A O no hydrogen 3.415 N/A HIS 144.A N LEU 141.A O no hydrogen 2.925 N/A CYS 145.A N LEU 141.A O no hydrogen 3.128 N/A CYS 145.A SG LEU 141.A O no hydrogen 3.265 N/A CYS 145.A SG LEU 142.A O no hydrogen 3.583 N/A CYS 146.A N LEU 142.A O no hydrogen 2.993 N/A ASN 151.A ND2 CYS 146.A O no hydrogen 3.433 N/A VAL 153.A N TYR 174.A O no hydrogen 2.821 N/A THR 154.A OG1 ASP 127.A OD1 no hydrogen 3.020 N/A MET 155.A N GLY 172.A O no hydrogen 3.164 N/A THR 156.A OG1 THR 157.A O no hydrogen 2.819 N/A THR 157.A OG1 TRP 170.A O no hydrogen 2.885 N/A ARG 160.A NE THR 169.A OG1 no hydrogen 2.924 N/A ARG 160.A NH1 ASN 594.A OD1 no hydrogen 3.005 N/A ARG 160.A NH2 TYR 123.A OH no hydrogen 2.997 N/A ARG 160.A NH2 THR 156.A OG1 no hydrogen 2.554 N/A LEU 162.A N ASP 166.A OD2 no hydrogen 2.972 N/A SER 164.A OG ASP 595.A OD1 no hydrogen 2.963 N/A SER 164.A OG ASP 595.A OD2 no hydrogen 2.666 N/A ASP 166.A N GLN 163.A O no hydrogen 3.039 N/A ARG 167.A NE GLU 122.A OE1 no hydrogen 2.882 N/A ARG 167.A NE HIS 195.A ND1 no hydrogen 3.519 N/A ARG 167.A NH1 ARG 116.A O no hydrogen 2.903 N/A ARG 167.A NH2 ARG 116.A O no hydrogen 3.294 N/A ARG 167.A NH2 GLU 122.A OE1 no hydrogen 3.256 N/A ARG 167.A NH2 GLU 122.A OE2 no hydrogen 2.893 N/A ALA 168.A N ARG 160.A O no hydrogen 3.263 N/A THR 169.A N VAL 193.A O no hydrogen 2.850 N/A THR 169.A OG1 HIS 195.A NE2 no hydrogen 2.816 N/A PHE 171.A N LEU 191.A O no hydrogen 2.947 N/A GLY 172.A N MET 155.A O no hydrogen 3.440 N/A LEU 173.A N LEU 189.A O no hydrogen 3.053 N/A TYR 174.A N VAL 153.A O no hydrogen 2.828 N/A TYR 175.A N HIS 185.A O no hydrogen 3.117 N/A TYR 175.A OH ILE 235.A O no hydrogen 2.608 N/A ASN 176.A N ASN 151.A O no hydrogen 3.033 N/A ILE 177.A N TYR 175.A O no hydrogen 2.758 N/A GLY 181.A N TYR 437.A OH no hydrogen 3.040 N/A HIS 185.A N PHE 182.A O no hydrogen 2.683 N/A HIS 185.A NE2 SER 243.A O no hydrogen 2.803 N/A VAL 187.A N LEU 173.A O no hydrogen 2.870 N/A GLY 188.A N HIS 186.A ND1 no hydrogen 3.116 N/A GLU 190.A N PHE 209.A O no hydrogen 2.859 N/A LEU 191.A N PHE 171.A O no hydrogen 2.887 N/A LEU 192.A N LYS 207.A O no hydrogen 2.950 N/A VAL 193.A N THR 169.A O no hydrogen 2.984 N/A ASN 194.A N THR 204.A O no hydrogen 2.885 N/A HIS 195.A N ARG 167.A O no hydrogen 3.010 N/A HIS 195.A ND1 GLU 122.A OE1 no hydrogen 2.700 N/A HIS 195.A NE2 THR 169.A OG1 no hydrogen 2.816 N/A LYS 196.A N ASN 194.A OD1 no hydrogen 3.103 N/A LYS 196.A NZ GLY 165.A O no hydrogen 3.326 N/A ALA 201.A N ASP 199.A OD1 no hydrogen 2.865 N/A ARG 202.A N ASP 199.A O no hydrogen 2.739 N/A TRP 203.A N PRO 200.A O no hydrogen 2.982 N/A TRP 203.A NE1 ALA 197.A O no hydrogen 2.675 N/A THR 204.A N ASN 194.A O no hydrogen 3.279 N/A GLN 206.A N LEU 192.A O no hydrogen 2.822 N/A LYS 207.A NZ ASP 216.A OD1 no hydrogen 3.226 N/A VAL 208.A N TYR 215.A O no hydrogen 2.690 N/A PHE 209.A N GLU 190.A O no hydrogen 2.767 N/A TYR 210.A N ARG 213.A O no hydrogen 2.907 N/A GLN 211.A N GLY 188.A O no hydrogen 2.815 N/A GLN 211.A NE2 VAL 233.A O no hydrogen 3.045 N/A ARG 213.A N TYR 210.A O no hydrogen 2.853 N/A TYR 215.A N VAL 208.A O no hydrogen 2.662 N/A GLN 220.A N SER 217.A OG no hydrogen 3.144 N/A LEU 221.A N SER 217.A O no hydrogen 3.030 N/A GLU 222.A N LEU 218.A O no hydrogen 2.958 N/A ALA 223.A N ALA 219.A O no hydrogen 2.661 N/A GLN 224.A N GLN 220.A O no hydrogen 2.655 N/A GLN 224.A NE2 GLN 220.A OE1 no hydrogen 2.680 N/A PHE 225.A N LEU 221.A O no hydrogen 2.777 N/A GLU 226.A N GLU 222.A O no hydrogen 2.946 N/A GLY 228.A N PHE 225.A O no hydrogen 3.101 N/A LEU 229.A N GLN 224.A O no hydrogen 3.069 N/A VAL 233.A N GLN 211.A OE1 no hydrogen 2.896 N/A TRP 244.A N GLY 241.A O no hydrogen 3.079 N/A SER 245.A N GLY 241.A O no hydrogen 2.763 N/A LYS 247.A N SER 245.A OG no hydrogen 2.986 N/A SER 248.A OG VAL 250.A O no hydrogen 3.525 N/A VAL 250.A N SER 248.A OG no hydrogen 2.986 N/A GLN 259.A NE2 ASN 379.A O no hydrogen 3.199 N/A GLY 264.A N TYR 261.A O no hydrogen 3.133 N/A ARG 266.A NE GLU 377.A OE1 no hydrogen 3.389 N/A ARG 266.A NE GLU 377.A OE2 no hydrogen 3.136 N/A ARG 266.A NH1 ASP 664.A OD2 no hydrogen 2.860 N/A ARG 266.A NH2 GLU 377.A OE1 no hydrogen 3.316 N/A SER 268.A N ALA 275.A O no hydrogen 3.017 N/A GLN 270.A N ARG 273.A O no hydrogen 2.958 N/A SER 272.A N GLN 5.A OE1 no hydrogen 2.919 N/A SER 272.A OG GLN 5.A OE1 no hydrogen 3.045 N/A SER 272.A OG SER 282.A OG no hydrogen 2.846 N/A ARG 273.A N GLN 270.A O no hydrogen 3.105 N/A ARG 273.A NH1 SER 4.A O no hydrogen 3.354 N/A ARG 273.A NH1 ASP 295.A OD2 no hydrogen 3.268 N/A ARG 273.A NH2 ASP 295.A OD2 no hydrogen 2.885 N/A VAL 274.A N PHE 281.A O no hydrogen 2.795 N/A ALA 275.A N SER 268.A O no hydrogen 3.156 N/A SER 276.A N TRP 279.A O no hydrogen 2.819 N/A SER 276.A OG TRP 279.A O no hydrogen 3.322 N/A LEU 278.A N SER 276.A OG no hydrogen 3.257 N/A TRP 279.A N SER 276.A OG no hydrogen 2.887 N/A TRP 279.A NE1 HIS 423.A O no hydrogen 3.119 N/A THR 280.A OG1 TRP 279.A O no hydrogen 3.371 N/A PHE 281.A N VAL 274.A O no hydrogen 3.189 N/A SER 282.A N PHE 294.A O no hydrogen 2.960 N/A SER 282.A OG SER 272.A OG no hydrogen 2.846 N/A PHE 283.A N SER 272.A O no hydrogen 2.850 N/A GLY 284.A N ARG 292.A O no hydrogen 3.133 N/A LEU 285.A N ASP 9.A OD1 no hydrogen 3.227 N/A LEU 285.A N ASP 9.A OD2 no hydrogen 3.313 N/A GLY 286.A N GLY 290.A O no hydrogen 2.930 N/A ALA 287.A N GLU 47.A OE1 no hydrogen 2.688 N/A SER 289.A OG GLY 290.A O no hydrogen 3.474 N/A GLY 290.A N GLY 286.A O no hydrogen 2.964 N/A ARG 292.A N GLY 284.A O no hydrogen 3.082 N/A ARG 292.A NH2 ASP 9.A OD1 no hydrogen 3.290 N/A ILE 293.A N ILE 307.A O no hydrogen 2.822 N/A PHE 294.A N SER 282.A O no hydrogen 2.717 N/A ASP 295.A N TYR 305.A O no hydrogen 3.043 N/A VAL 296.A N VAL 304.A O no hydrogen 3.106 N/A ARG 297.A N THR 280.A O no hydrogen 2.673 N/A ARG 297.A NE ASP 295.A OD1 no hydrogen 3.062 N/A ARG 297.A NH2 ASP 295.A OD1 no hydrogen 3.155 N/A PHE 298.A N GLU 301.A O no hydrogen 2.923 N/A GLN 299.A N LEU 278.A O no hydrogen 2.713 N/A GLU 301.A N PHE 298.A O no hydrogen 2.743 N/A ARG 302.A NE ASP 295.A OD1 no hydrogen 2.670 N/A ARG 302.A NH1 ASP 61.A OD2 no hydrogen 3.308 N/A ARG 302.A NH2 ASP 61.A OD1 no hydrogen 2.811 N/A ARG 302.A NH2 ASP 61.A OD2 no hydrogen 3.407 N/A ARG 302.A NH2 ASP 295.A OD1 no hydrogen 3.283 N/A LEU 303.A N VAL 296.A O no hydrogen 2.943 N/A TYR 305.A N ASP 472.A O no hydrogen 2.964 N/A ILE 307.A N ILE 293.A O no hydrogen 2.994 N/A SER 308.A N LYS 470.A O no hydrogen 3.033 N/A SER 308.A OG GLU 306.A OE2 no hydrogen 2.729 N/A LEU 309.A N PRO 291.A O no hydrogen 2.884 N/A GLN 310.A N HIS 468.A O no hydrogen 2.873 N/A GLN 310.A NE2 SER 308.A OG no hydrogen 3.167 N/A ALA 312.A N GLU 311.A OE2 no hydrogen 3.152 N/A LEU 313.A N SER 466.A O no hydrogen 2.863 N/A ALA 314.A N TYR 328.A O no hydrogen 3.058 N/A ILE 315.A N THR 464.A O no hydrogen 3.201 N/A TYR 316.A N THR 326.A O no hydrogen 3.219 N/A GLY 317.A N VAL 462.A O no hydrogen 3.072 N/A ASN 319.A ND2.A PHE 442.A O no hydrogen 2.945 N/A SER 320.A OG GLU 190.A OE2 no hydrogen 3.283 N/A SER 320.A OG ASN 319.A OD1.A no hydrogen 3.445 N/A ALA 322.A N GLU 190.A OE1 no hydrogen 2.751 N/A MET 324.A N SER 320.A O no hydrogen 2.937 N/A THR 325.A N ALA 322.A O no hydrogen 3.332 N/A THR 325.A OG1 PRO 321.A O no hydrogen 2.639 N/A THR 325.A OG1 ALA 322.A O no hydrogen 3.557 N/A THR 326.A N ALA 323.A O no hydrogen 3.444 N/A THR 326.A OG1 ALA 322.A O no hydrogen 2.511 N/A ARG 327.A N ALA 158.A O no hydrogen 2.684 N/A ARG 327.A NH2 TYR 316.A O no hydrogen 2.912 N/A ARG 327.A NH2 THR 326.A O no hydrogen 2.851 N/A TYR 328.A N ALA 314.A O no hydrogen 3.014 N/A TYR 328.A OH THR 156.A O no hydrogen 2.866 N/A VAL 329.A N GLN 593.A OE1 no hydrogen 2.927 N/A ASP 330.A N ALA 312.A O no hydrogen 2.920 N/A GLY 331.A N GLU 311.A OE2 no hydrogen 2.478 N/A GLY 332.A N VAL 329.A O no hydrogen 2.789 N/A PHE 333.A N ASP 330.A O no hydrogen 2.927 N/A GLY 334.A N ASP 330.A O no hydrogen 2.866 N/A MET 335.A N PHE 288.A O no hydrogen 3.011 N/A LYS 337.A N ALA 287.A O no hydrogen 2.781 N/A LYS 337.A NZ GLU 362.A OE2 no hydrogen 2.916 N/A TYR 338.A N GLY 334.A O no hydrogen 3.014 N/A THR 339.A N GLY 336.A O no hydrogen 2.822 N/A THR 339.A OG1 MET 335.A O no hydrogen 3.343 N/A THR 339.A OG1 GLY 336.A O no hydrogen 3.180 N/A THR 340.A N MET 409.A O no hydrogen 2.953 N/A THR 340.A OG1 MET 409.A O no hydrogen 3.386 N/A THR 340.A OG1 THR 411.A OG1 no hydrogen 3.208 N/A LEU 342.A N ASP 371.A O no hydrogen 2.837 N/A THR 343.A N ASP 347.A OD2 no hydrogen 2.799 N/A GLY 345.A N CYS 348.A O no hydrogen 2.884 N/A VAL 346.A N THR 343.A O no hydrogen 3.005 N/A ASP 347.A N THR 343.A O no hydrogen 2.984 N/A TYR 350.A OH PRO 696.A O no hydrogen 2.635 N/A ALA 352.A N PRO 349.A O no hydrogen 2.861 N/A THR 353.A N VAL 375.A O no hydrogen 2.847 N/A TYR 354.A OH PRO 349.A O no hydrogen 2.766 N/A VAL 355.A N PHE 373.A O no hydrogen 2.973 N/A TRP 357.A N ILE 369.A O no hydrogen 2.819 N/A HIS 358.A ND1 THR 368.A OG1 no hydrogen 2.837 N/A PHE 359.A N LYS 367.A O no hydrogen 3.008 N/A GLU 362.A N PHE 44.A O no hydrogen 2.840 N/A SER 363.A OG ALA 365.A O no hydrogen 2.652 N/A GLN 364.A NE2 VAL 31.A O no hydrogen 3.595 N/A LYS 367.A N PHE 359.A O no hydrogen 2.726 N/A THR 368.A OG1 HIS 358.A ND1 no hydrogen 2.837 N/A ILE 369.A N TRP 357.A O no hydrogen 2.682 N/A ASP 371.A N ASP 356.A OD1 no hydrogen 2.782 N/A PHE 373.A N VAL 355.A O no hydrogen 3.019 N/A CYS 374.A N ARG 407.A O no hydrogen 3.013 N/A VAL 375.A N THR 353.A O no hydrogen 2.973 N/A PHE 376.A N VAL 405.A O no hydrogen 3.393 N/A GLU 377.A N TYR 261.A OH no hydrogen 2.761 N/A GLN 378.A N VAL 403.A O no hydrogen 2.919 N/A GLN 380.A N GLU 401.A O no hydrogen 2.897 N/A GLY 381.A N ASN 379.A OD1 no hydrogen 2.827 N/A LEU 384.A N LEU 399.A O no hydrogen 2.786 N/A ARG 385.A N LEU 399.A O no hydrogen 3.507 N/A ARG 385.A NE SER 659.A OG no hydrogen 2.971 N/A ARG 385.A NH2 SER 659.A O no hydrogen 2.891 N/A HIS 387.A N GLY 397.A O no hydrogen 2.843 N/A SER 389.A N TYR 395.A O no hydrogen 2.928 N/A SER 389.A OG SER 393.A O no hydrogen 2.788 N/A LEU 391.A N SER 389.A OG no hydrogen 3.396 N/A SER 393.A N LEU 391.A O no hydrogen 2.864 N/A TYR 395.A N SER 389.A O no hydrogen 3.329 N/A PHE 396.A N PHE 668.A O no hydrogen 2.980 N/A GLY 397.A N HIS 387.A O no hydrogen 3.075 N/A GLY 398.A N ILE 666.A O no hydrogen 3.011 N/A LEU 399.A N ARG 385.A O no hydrogen 3.048 N/A GLU 401.A N LEU 382.A O no hydrogen 2.922 N/A VAL 403.A N GLN 378.A O no hydrogen 2.895 N/A LEU 404.A N PHE 422.A O no hydrogen 3.075 N/A VAL 405.A N PHE 376.A O no hydrogen 2.828 N/A VAL 406.A N THR 420.A O no hydrogen 3.025 N/A ARG 407.A N CYS 374.A O no hydrogen 3.006 N/A ARG 407.A NE ASP 419.A OD1 no hydrogen 2.551 N/A ARG 407.A NH1 ASP 347.A O no hydrogen 2.595 N/A ARG 407.A NH2 ASP 419.A OD1 no hydrogen 3.181 N/A ARG 407.A NH2 ASP 419.A OD2 no hydrogen 3.169 N/A SER 408.A N TRP 418.A O no hydrogen 3.383 N/A SER 410.A N TYR 416.A O no hydrogen 3.023 N/A SER 410.A OG MET 335.A O no hydrogen 2.603 N/A THR 411.A N TYR 338.A O no hydrogen 3.058 N/A THR 411.A OG1 THR 340.A OG1 no hydrogen 3.208 N/A THR 411.A OG1 ASP 415.A OD2 no hydrogen 3.056 N/A ASN 414.A ND2 TYR 437.A O no hydrogen 3.310 N/A ASP 415.A N THR 435.A O no hydrogen 2.721 N/A TYR 416.A N SER 410.A O no hydrogen 2.689 N/A TYR 416.A OH ASP 330.A OD2 no hydrogen 3.428 N/A TYR 416.A OH HIS 465.A ND1 no hydrogen 3.249 N/A VAL 417.A N TYR 433.A O no hydrogen 2.639 N/A TRP 418.A N SER 408.A O no hydrogen 3.103 N/A TRP 418.A NE1 SER 410.A OG no hydrogen 3.183 N/A ASP 419.A N ARG 431.A O no hydrogen 3.012 N/A THR 420.A N VAL 406.A O no hydrogen 3.035 N/A VAL 421.A N GLU 429.A O no hydrogen 2.721 N/A PHE 422.A N LEU 404.A O no hydrogen 2.707 N/A HIS 423.A N ALA 427.A O no hydrogen 2.935 N/A HIS 423.A ND1 GLU 401.A OE1 no hydrogen 2.531 N/A HIS 423.A NE2 GLU 429.A OE1 no hydrogen 2.893 N/A GLY 426.A N HIS 423.A O no hydrogen 3.400 N/A ALA 427.A N SER 425.A OG no hydrogen 3.339 N/A ILE 428.A N LEU 648.A O no hydrogen 2.934 N/A GLU 429.A N VAL 421.A O no hydrogen 2.892 N/A ILE 430.A N PHE 646.A O no hydrogen 2.975 N/A ARG 431.A N ASP 419.A O no hydrogen 3.071 N/A PHE 432.A N VAL 644.A O no hydrogen 2.915 N/A TYR 433.A N VAL 417.A O no hydrogen 3.100 N/A THR 435.A N ASP 415.A O no hydrogen 2.863 N/A THR 435.A OG1 THR 637.A O no hydrogen 2.615 N/A GLY 436.A N THR 435.A OG1 no hydrogen 2.653 N/A TYR 437.A N ASN 414.A O no hydrogen 3.108 N/A SER 440.A OG PHE 183.A O no hydrogen 2.771 N/A ALA 441.A N LEU 459.A O no hydrogen 2.993 N/A LEU 443.A N HIS 457.A O no hydrogen 2.915 N/A ASN 452.A ND2 PRO 629.A O no hydrogen 2.748 N/A GLN 453.A NE2 SER 455.A O no hydrogen 2.754 N/A VAL 454.A N THR 458.A O no hydrogen 3.079 N/A SER 455.A OG THR 458.A OG1 no hydrogen 2.715 N/A THR 458.A N SER 455.A O no hydrogen 2.959 N/A THR 458.A OG1 SER 455.A OG no hydrogen 2.715 N/A THR 458.A OG1 GLU 456.A O no hydrogen 2.866 N/A LEU 459.A N ALA 441.A O no hydrogen 2.852 N/A GLY 460.A N ASN 452.A O no hydrogen 2.969 N/A THR 461.A OG1 SER 439.A O no hydrogen 3.043 N/A VAL 462.A N TYR 450.A O no hydrogen 3.261 N/A HIS 463.A N HIS 627.A O no hydrogen 3.036 N/A HIS 463.A ND1 THR 461.A O no hydrogen 2.818 N/A THR 464.A N ILE 315.A O no hydrogen 2.985 N/A HIS 465.A N PHE 625.A O no hydrogen 2.847 N/A SER 466.A N LEU 313.A O no hydrogen 2.997 N/A ALA 467.A N ALA 623.A O no hydrogen 2.729 N/A HIS 468.A N GLU 311.A O no hydrogen 2.957 N/A HIS 468.A ND1 SER 587.A OG no hydrogen 2.847 N/A PHE 469.A N VAL 621.A O no hydrogen 2.802 N/A LYS 470.A N SER 308.A O no hydrogen 2.959 N/A LYS 470.A NZ PRO 585.A O no hydrogen 3.064 N/A VAL 471.A N ALA 619.A O no hydrogen 2.804 N/A ASP 472.A N GLU 306.A O no hydrogen 2.881 N/A ASP 474.A N LEU 303.A O no hydrogen 2.988 N/A VAL 475.A N ASN 480.A OD1 no hydrogen 2.838 N/A ASN 480.A N LYS 615.A O no hydrogen 2.890 N/A ASN 480.A ND2 VAL 475.A O no hydrogen 2.992 N/A ASN 480.A ND2 GLU 479.A O no hydrogen 2.587 N/A TRP 481.A N ALA 533.A O no hydrogen 2.793 N/A TRP 483.A N TYR 531.A O no hydrogen 2.852 N/A ALA 484.A N LYS 510.A O no hydrogen 2.906 N/A GLU 485.A N TYR 529.A O no hydrogen 2.789 N/A ASP 486.A N THR 508.A O no hydrogen 2.714 N/A MET 487.A N ASP 486.A OD1 no hydrogen 2.768 N/A VAL 488.A N GLN 506.A O no hydrogen 2.918 N/A VAL 490.A N ARG 504.A O no hydrogen 2.982 N/A VAL 494.A N HIS 500.A O no hydrogen 2.785 N/A SER 497.A N VAL 494.A O no hydrogen 2.890 N/A SER 497.A OG HIS 500.A ND1 no hydrogen 2.998 N/A HIS 500.A N SER 497.A O no hydrogen 2.762 N/A HIS 500.A ND1 SER 497.A OG no hydrogen 2.998 N/A LEU 502.A N MET 492.A O no hydrogen 2.704 N/A ARG 504.A N VAL 490.A O no hydrogen 2.950 N/A GLN 506.A N VAL 488.A O no hydrogen 2.832 N/A THR 508.A N ASP 486.A O no hydrogen 2.755 N/A ARG 509.A NH1 GLU 485.A OE2 no hydrogen 2.918 N/A LYS 510.A N ALA 484.A O no hydrogen 2.777 N/A LEU 512.A N VAL 482.A O no hydrogen 2.864 N/A MET 514.A N GLN 517.A OE1 no hydrogen 3.177 N/A GLU 515.A N GLU 610.A O no hydrogen 2.826 N/A GLN 517.A N MET 514.A O no hydrogen 2.957 N/A ALA 518.A N GLU 515.A O no hydrogen 3.044 N/A ALA 519.A N GLU 516.A O no hydrogen 3.437 N/A PHE 520.A N LEU 575.A O no hydrogen 2.973 N/A VAL 522.A N ARG 572.A O no hydrogen 2.734 N/A SER 524.A N LEU 521.A O no hydrogen 3.259 N/A THR 526.A OG1 PRO 527.A O no hydrogen 3.455 N/A ARG 528.A N ASP 486.A OD2 no hydrogen 2.968 N/A ARG 528.A NE ASP 486.A OD1 no hydrogen 2.855 N/A ARG 528.A NH2 ASP 486.A OD1 no hydrogen 3.546 N/A TYR 529.A N GLU 485.A O no hydrogen 3.058 N/A TYR 531.A N TRP 483.A O no hydrogen 2.983 N/A TYR 531.A OH GLU 485.A OE2 no hydrogen 2.788 N/A LEU 532.A N TYR 546.A O no hydrogen 2.863 N/A ALA 533.A N TRP 481.A O no hydrogen 2.892 N/A SER 534.A N ARG 544.A O no hydrogen 2.946 N/A HIS 536.A N SER 534.A OG no hydrogen 2.729 N/A ASN 538.A N HIS 542.A O no hydrogen 2.775 N/A ASN 538.A ND2 PHE 654.A O no hydrogen 3.128 N/A LYS 539.A N ASP 655.A OD1 no hydrogen 2.925 N/A TRP 540.A N ASN 538.A OD1 no hydrogen 3.228 N/A TRP 540.A NE1 ASP 655.A O no hydrogen 3.108 N/A GLY 541.A N ASN 538.A O no hydrogen 3.003 N/A HIS 542.A N ASN 538.A OD1 no hydrogen 3.079 N/A ARG 544.A N HIS 536.A O no hydrogen 2.899 N/A ARG 544.A NE PHE 653.A O no hydrogen 2.879 N/A ARG 544.A NH2 GLU 301.A OE1 no hydrogen 3.311 N/A ARG 544.A NH2 GLU 301.A OE2 no hydrogen 3.285 N/A GLY 545.A N TYR 651.A O no hydrogen 3.136 N/A TYR 546.A N LEU 532.A O no hydrogen 2.858 N/A TYR 546.A OH GLY 426.A O no hydrogen 2.513 N/A ARG 547.A N ARG 649.A O no hydrogen 2.673 N/A ILE 548.A N LEU 530.A O no hydrogen 3.051 N/A GLN 549.A N PHE 647.A O no hydrogen 3.146 N/A LEU 551.A N GLY 645.A O no hydrogen 2.707 N/A PHE 553.A N GLY 624.A O no hydrogen 3.278 N/A ALA 554.A N SER 552.A OG no hydrogen 3.254 N/A LEU 558.A N GLU 571.A OE2 no hydrogen 3.125 N/A SER 562.A N PRO 559.A O no hydrogen 3.031 N/A MET 564.A N SER 562.A OG no hydrogen 3.229 N/A ALA 565.A N SER 562.A O no hydrogen 3.135 N/A GLY 567.A N MET 564.A O no hydrogen 3.017 N/A PHE 568.A N ALA 565.A O no hydrogen 2.883 N/A SER 569.A OG ASP 602.A OD2 no hydrogen 2.633 N/A GLU 571.A N PHE 568.A O no hydrogen 3.079 N/A ARG 572.A N SER 569.A O no hydrogen 3.071 N/A TYR 573.A N TRP 570.A O no hydrogen 3.132 N/A GLN 574.A N PHE 520.A O no hydrogen 2.785 N/A GLN 574.A NE2 LEU 521.A O no hydrogen 2.668 N/A GLN 574.A NE2 SER 524.A O no hydrogen 3.093 N/A ALA 576.A N TRP 620.A O no hydrogen 3.043 N/A VAL 577.A N ALA 518.A O no hydrogen 3.330 N/A THR 578.A N VAL 618.A O no hydrogen 3.114 N/A THR 578.A OG1 GLN 579.A O no hydrogen 3.463 N/A GLN 579.A N GLU 515.A OE2 no hydrogen 2.966 N/A GLN 579.A NE2 THR 611.A O no hydrogen 2.802 N/A ARG 580.A N ASP 616.A O no hydrogen 2.785 N/A LYS 581.A NZ GLU 610.A OE1 no hydrogen 3.342 N/A LYS 581.A NZ GLU 610.A OE2 no hydrogen 2.369 N/A GLU 583.A N GLU 583.A OE2 no hydrogen 2.468 N/A GLU 584.A N LYS 581.A O no hydrogen 2.843 N/A SER 586.A OG GLN 310.A OE1 no hydrogen 3.411 N/A SER 587.A N GLN 310.A OE1 no hydrogen 2.818 N/A SER 587.A OG GLN 310.A OE1 no hydrogen 3.178 N/A SER 587.A OG HIS 468.A ND1 no hydrogen 2.847 N/A SER 588.A OG GLU 311.A OE1 no hydrogen 2.627 N/A PHE 591.A N SER 589.A OG no hydrogen 3.131 N/A ASN 592.A N SER 589.A O no hydrogen 3.181 N/A ASN 592.A ND2 GLY 567.A O no hydrogen 2.996 N/A ASN 592.A ND2 VAL 601.A O no hydrogen 2.858 N/A GLN 593.A NE2 ARG 327.A O no hydrogen 3.078 N/A GLN 593.A NE2 GLN 593.A O no hydrogen 3.164 N/A ASN 594.A ND2 ARG 116.A O no hydrogen 2.728 N/A ALA 598.A N ASP 595.A OD1 no hydrogen 3.147 N/A THR 600.A N ASN 592.A OD1 no hydrogen 3.283 N/A VAL 601.A N ASN 592.A OD1 no hydrogen 3.407 N/A SER 604.A N SER 569.A OG no hydrogen 3.152 N/A SER 604.A OG ASP 602.A OD1 no hydrogen 3.447 N/A SER 604.A OG ASP 602.A OD2 no hydrogen 3.106 N/A ASP 605.A N ASP 602.A O no hydrogen 2.999 N/A PHE 606.A N PHE 603.A O no hydrogen 2.795 N/A ILE 607.A N SER 604.A O no hydrogen 3.145 N/A ASN 608.A N GLU 515.A OE1 no hydrogen 2.799 N/A ILE 612.A N GLU 513.A O no hydrogen 2.835 N/A ALA 613.A N THR 611.A OG1 no hydrogen 2.914 N/A GLY 614.A N ASN 480.A O no hydrogen 2.991 N/A VAL 618.A N THR 578.A O no hydrogen 3.057 N/A ALA 619.A N VAL 471.A O no hydrogen 2.763 N/A TRP 620.A N ALA 576.A O no hydrogen 2.729 N/A TRP 620.A NE1 THR 578.A OG1 no hydrogen 2.937 N/A VAL 621.A N PHE 469.A O no hydrogen 3.003 N/A THR 622.A N GLN 574.A O no hydrogen 2.902 N/A THR 622.A OG1 TRP 570.A O no hydrogen 3.104 N/A THR 622.A OG1 TYR 573.A O no hydrogen 2.923 N/A ALA 623.A N ALA 467.A O no hydrogen 2.923 N/A PHE 625.A N HIS 465.A O no hydrogen 2.925 N/A HIS 627.A N HIS 463.A O no hydrogen 2.732 N/A HIS 627.A NE2 ASP 633.A OD2 no hydrogen 2.923 N/A HIS 630.A N ASP 633.A OD2 no hydrogen 2.923 N/A HIS 630.A ND1 ILE 628.A O no hydrogen 3.069 N/A GLU 632.A N GLU 632.A OE1 no hydrogen 2.807 N/A ASP 633.A N HIS 630.A O no hydrogen 2.766 N/A ILE 634.A N ALA 631.A O no hydrogen 2.947 N/A THR 637.A N GLY 436.A O no hydrogen 2.855 N/A THR 637.A OG1 ASP 633.A OD1 no hydrogen 3.371 N/A ASN 642.A N THR 639.A O no hydrogen 3.116 N/A ASN 642.A ND2 VAL 638.A O no hydrogen 2.859 N/A VAL 644.A N PHE 432.A O no hydrogen 3.112 N/A GLY 645.A N LEU 551.A O no hydrogen 2.738 N/A PHE 646.A N ILE 430.A O no hydrogen 2.995 N/A PHE 647.A N GLN 549.A O no hydrogen 2.774 N/A LEU 648.A N ILE 428.A O no hydrogen 2.703 N/A ARG 649.A N ARG 547.A O no hydrogen 2.939 N/A ARG 649.A NE GLN 549.A OE1 no hydrogen 3.020 N/A ARG 649.A NH2 GLN 549.A OE1 no hydrogen 2.742 N/A TYR 651.A N GLY 545.A O no hydrogen 2.900 N/A TYR 651.A OH GLU 485.A OE1 no hydrogen 2.522 N/A SER 659.A N ASP 657.A OD2 no hydrogen 2.941 N/A SER 659.A OG ASP 657.A OD1 no hydrogen 2.568 N/A SER 659.A OG ASP 657.A OD2 no hydrogen 3.099 N/A PHE 660.A N ASP 657.A O no hydrogen 3.133 N/A TYR 661.A N.A PRO 658.A O no hydrogen 3.331 N/A TYR 661.A N.B PRO 658.A O no hydrogen 3.271 N/A TYR 661.A OH.B GLU 656.A OE2 no hydrogen 2.970 N/A SER 662.A N SER 659.A O no hydrogen 3.092 N/A ASP 664.A N SER 662.A OG no hydrogen 2.918 N/A SER 665.A OG SER 662.A O no hydrogen 3.302 N/A ILE 666.A N GLY 398.A O no hydrogen 2.801 N/A PHE 668.A N PHE 396.A O no hydrogen 3.026 N/A ARG 669.A N GLN 672.A OE1 no hydrogen 2.700 N/A ARG 669.A NE ASP 671.A OD2 no hydrogen 3.036 N/A ARG 669.A NH2 ASP 671.A OD1 no hydrogen 2.672 N/A GLY 670.A N HIS 394.A O no hydrogen 2.703 N/A GLN 672.A N ARG 669.A O no hydrogen 3.045 N/A GLY 675.A N ASP 673.A OD1 no hydrogen 3.105 N/A ALA 676.A N ASP 673.A O no hydrogen 3.207 N/A VAL 679.A N ALA 676.A O no hydrogen 2.677 N/A ASN 680.A N ALA 676.A O no hydrogen 2.729 N/A ASN 680.A ND2 ALA 674.A O no hydrogen 2.788 N/A LEU 682.A N ASN 680.A OD1 no hydrogen 2.869 N/A ALA 683.A N ASN 680.A O no hydrogen 2.876 N/A CYS 684.A N PRO 681.A O no hydrogen 3.044 N/A CYS 684.A SG ASN 680.A O no hydrogen 4.039 N/A CYS 684.A SG PRO 681.A O no hydrogen 3.434 N/A LEU 685.A N LEU 682.A O no hydrogen 3.250 N/A ALA 688.A N CYS 684.A O no hydrogen 2.785 N/A ALA 689.A N LEU 685.A O no hydrogen 2.704 N/A ALA 690.A N GLN 687.A O no hydrogen 2.848 N/A ALA 692.A N PRO 1.A O no hydrogen 2.771 N/A GLY 702.A N HIS 700.A ND1 no hydrogen 3.210 N/A