Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a2v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N ASP 9.A OD2 no hydrogen 2.906 N/A ASP 9.A N HIS 6.A O no hydrogen 2.850 N/A SER 12.A N GLU 15.A OE1 no hydrogen 2.858 N/A SER 12.A OG GLU 15.A OE1 no hydrogen 3.501 N/A GLU 15.A N SER 12.A OG no hydrogen 2.997 N/A ILE 16.A N SER 12.A O no hydrogen 2.896 N/A LYS 17.A N THR 13.A O no hydrogen 3.156 N/A LYS 17.A NZ ASP 338.A OD1 no hydrogen 2.549 N/A ALA 18.A N ALA 14.A O no hydrogen 2.924 N/A ALA 19.A N GLU 15.A O no hydrogen 2.924 N/A THR 20.A N ILE 16.A O no hydrogen 2.939 N/A THR 20.A OG1 ILE 16.A O no hydrogen 3.428 N/A THR 20.A OG1 LYS 17.A O no hydrogen 3.017 N/A THR 20.A OG1 GLY 337.A O no hydrogen 2.586 N/A ASN 21.A N LYS 17.A O no hydrogen 2.876 N/A THR 22.A N ALA 18.A O no hydrogen 3.037 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.594 N/A VAL 23.A N ALA 19.A O no hydrogen 2.911 N/A LYS 24.A N THR 20.A O no hydrogen 2.812 N/A LYS 24.A NZ ALA 336.A O no hydrogen 2.937 N/A SER 25.A N ASN 21.A O no hydrogen 3.036 N/A SER 25.A OG ASN 21.A O no hydrogen 3.143 N/A TYR 26.A N THR 22.A O no hydrogen 3.138 N/A PHE 27.A N VAL 23.A O no hydrogen 2.942 N/A ALA 28.A N SER 25.A O no hydrogen 3.018 N/A LYS 30.A N PHE 27.A O no hydrogen 2.919 N/A SER 33.A N LEU 67.A O no hydrogen 2.734 N/A PHE 34.A N ARG 335.A O no hydrogen 2.873 N/A ASN 35.A N VAL 65.A O no hydrogen 2.833 N/A ASN 35.A ND2 ILE 98.A O no hydrogen 2.744 N/A THR 36.A N VAL 65.A O no hydrogen 3.164 N/A THR 36.A OG1 ASN 35.A OD1 no hydrogen 2.920 N/A THR 38.A N TYR 63.A O no hydrogen 2.939 N/A ARG 40.A N LEU 61.A O no hydrogen 3.225 N/A ARG 44.A N ASP 559.A OD1 no hydrogen 3.214 N/A ARG 44.A NE ASP 447.A OD1 no hydrogen 3.037 N/A ARG 44.A NE ASP 447.A OD2 no hydrogen 2.899 N/A ARG 44.A NH2 ASP 447.A OD1 no hydrogen 2.896 N/A TYR 47.A N ALA 43.A O no hydrogen 2.783 N/A TYR 47.A OH HIS 6.A NE2 no hydrogen 3.080 N/A TYR 47.A OH ASP 263.A OD2 no hydrogen 2.601 N/A ILE 48.A N ARG 44.A O no hydrogen 3.012 N/A GLN 49.A N LYS 45.A O no hydrogen 2.939 N/A TRP 50.A N ALA 46.A O no hydrogen 2.956 N/A LYS 51.A N TYR 47.A O no hydrogen 2.763 N/A GLU 52.A N ILE 48.A O no hydrogen 2.700 N/A GLN 53.A N GLN 49.A O no hydrogen 2.722 N/A GLY 55.A N GLN 49.A O no hydrogen 2.837 N/A ARG 60.A NE GLU 15.A OE1 no hydrogen 3.437 N/A ARG 60.A NE GLU 15.A OE2 no hydrogen 2.782 N/A ARG 60.A NH1 ASP 9.A O no hydrogen 2.890 N/A ARG 60.A NH2 ASP 9.A O no hydrogen 2.603 N/A ARG 60.A NH2 GLU 15.A OE1 no hydrogen 3.094 N/A ALA 62.A N VAL 79.A O no hydrogen 2.969 N/A TYR 63.A N THR 38.A O no hydrogen 2.671 N/A TYR 63.A OH GLU 76.A OE1 no hydrogen 2.664 N/A TYR 64.A N GLY 77.A O no hydrogen 2.986 N/A TYR 64.A OH THR 89.A OG1 no hydrogen 2.791 N/A VAL 65.A N THR 36.A O no hydrogen 2.842 N/A ILE 66.A N LYS 75.A O no hydrogen 2.781 N/A LEU 67.A N SER 33.A O no hydrogen 2.874 N/A ALA 69.A N LYS 31.A O no hydrogen 3.003 N/A GLY 70.A N GLU 182.A OE2 no hydrogen 3.372 N/A LYS 71.A N GLU 68.A O no hydrogen 2.900 N/A VAL 74.A N LEU 92.A O no hydrogen 3.000 N/A LYS 75.A N ILE 66.A O no hydrogen 2.941 N/A LYS 75.A NZ GLU 68.A OE1 no hydrogen 2.758 N/A GLU 76.A N ARG 90.A O no hydrogen 2.876 N/A GLY 77.A N TYR 64.A O no hydrogen 3.188 N/A LEU 78.A N GLU 88.A O no hydrogen 2.752 N/A VAL 79.A N ALA 62.A O no hydrogen 2.862 N/A ASP 80.A N SER 85.A O no hydrogen 2.833 N/A LEU 81.A N ARG 60.A O no hydrogen 3.168 N/A SER 83.A N ASP 80.A O no hydrogen 3.155 N/A SER 83.A N ASP 80.A OD2 no hydrogen 3.026 N/A SER 83.A OG ASP 80.A O no hydrogen 3.472 N/A SER 83.A OG ASP 80.A OD2 no hydrogen 2.652 N/A SER 83.A OG SER 85.A OG no hydrogen 2.633 N/A LEU 84.A N LEU 81.A O no hydrogen 3.180 N/A SER 85.A N ASP 80.A O no hydrogen 3.334 N/A SER 85.A OG SER 83.A OG no hydrogen 2.633 N/A ILE 87.A N LEU 78.A O no hydrogen 2.912 N/A THR 89.A OG1 TYR 64.A OH no hydrogen 2.791 N/A THR 89.A OG1 GLU 76.A O no hydrogen 3.313 N/A ARG 90.A N GLU 76.A O no hydrogen 2.756 N/A ARG 90.A NE GLU 76.A OE2 no hydrogen 2.740 N/A ARG 90.A NH2 GLU 76.A OE2 no hydrogen 2.801 N/A LEU 92.A N VAL 74.A O no hydrogen 2.928 N/A GLN 96.A NE2 THR 149.A O no hydrogen 3.066 N/A LEU 99.A N GLU 305.A O no hydrogen 2.900 N/A THR 100.A OG1 ASP 103.A OD1 no hydrogen 2.445 N/A GLU 102.A N THR 100.A OG1 no hydrogen 3.238 N/A ASP 103.A N THR 100.A OG1 no hydrogen 3.252 N/A LEU 104.A N THR 100.A O no hydrogen 3.105 N/A CYS 105.A N VAL 101.A O no hydrogen 2.840 N/A CYS 105.A SG VAL 101.A O no hydrogen 3.178 N/A THR 107.A OG1 LEU 104.A O no hydrogen 3.529 N/A THR 107.A OG1 GLN 154.A OE1 no hydrogen 2.506 N/A VAL 110.A N SER 106.A O no hydrogen 3.247 N/A ILE 111.A N THR 107.A O no hydrogen 3.126 N/A ARG 112.A N GLU 108.A O no hydrogen 3.163 N/A ARG 112.A NE MET 131.A O no hydrogen 3.187 N/A ARG 112.A NE VAL 134.A O no hydrogen 2.707 N/A ARG 112.A NH1 GLU 109.A OE1 no hydrogen 3.133 N/A ARG 112.A NH2 VAL 134.A O no hydrogen 2.926 N/A ASN 113.A N GLU 109.A O no hydrogen 3.065 N/A ASP 114.A N ILE 111.A O no hydrogen 3.279 N/A VAL 117.A N ASP 114.A OD2 no hydrogen 2.835 N/A ILE 118.A N ASP 114.A O no hydrogen 2.843 N/A GLU 119.A N PRO 115.A O no hydrogen 2.980 N/A GLN 120.A N ALA 116.A O no hydrogen 3.106 N/A CYS 121.A N VAL 117.A O no hydrogen 2.934 N/A CYS 121.A SG VAL 117.A O no hydrogen 3.391 N/A VAL 122.A N ILE 118.A O no hydrogen 2.944 N/A LEU 123.A N GLU 119.A O no hydrogen 2.887 N/A SER 124.A N GLN 120.A O no hydrogen 2.803 N/A SER 124.A OG GLN 120.A O no hydrogen 2.860 N/A GLY 125.A N VAL 122.A O no hydrogen 2.995 N/A ILE 126.A N CYS 121.A O no hydrogen 2.785 N/A GLU 130.A N PRO 127.A O no hydrogen 2.920 N/A LYS 133.A N GLU 130.A O no hydrogen 2.833 N/A LYS 133.A NZ GLU 130.A OE1 no hydrogen 3.335 N/A VAL 134.A N MET 131.A O no hydrogen 3.154 N/A TYR 135.A N TYR 159.A O no hydrogen 2.859 N/A CYS 136.A N GLU 108.A OE2 no hydrogen 2.786 N/A ASP 137.A N LEU 157.A O no hydrogen 2.910 N/A TRP 139.A N GLN 155.A O no hydrogen 2.911 N/A THR 140.A N TYR 306.A OH no hydrogen 3.033 N/A THR 140.A OG1 TYR 306.A OH no hydrogen 3.321 N/A TYR 143.A N ILE 141.A O no hydrogen 2.896 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.619 N/A ARG 146.A N ASP 144.A OD1 no hydrogen 2.910 N/A ARG 146.A NE ASP 144.A OD1 no hydrogen 2.976 N/A ARG 146.A NE ASP 144.A OD2 no hydrogen 3.320 N/A ARG 146.A NH1 ASP 190.A OD1 no hydrogen 3.223 N/A ARG 146.A NH2 ASP 144.A OD2 no hydrogen 2.764 N/A ARG 146.A NH2 ASP 190.A OD1 no hydrogen 3.053 N/A ARG 146.A NH2 ASP 190.A OD2 no hydrogen 3.183 N/A TRP 147.A N ASP 144.A O no hydrogen 3.042 N/A GLY 148.A N ASP 144.A O no hydrogen 3.059 N/A THR 149.A OG1 THR 94.A O no hydrogen 2.946 N/A GLY 150.A N TRP 147.A O no hydrogen 3.052 N/A ARG 152.A NH1 ASP 103.A OD2 no hydrogen 3.023 N/A ARG 152.A NH2 ASP 103.A OD2 no hydrogen 3.082 N/A LEU 153.A N GLN 571.A OE1 no hydrogen 2.912 N/A GLN 154.A N VAL 179.A O no hydrogen 3.008 N/A GLN 154.A NE2 ASP 103.A O no hydrogen 2.906 N/A GLN 154.A NE2 THR 181.A OG1 no hydrogen 3.059 N/A GLN 155.A N TRP 139.A O no hydrogen 2.900 N/A GLN 155.A NE2 THR 140.A O no hydrogen 2.709 N/A GLN 155.A NE2 ARG 297.A O no hydrogen 3.099 N/A ALA 156.A N PRO 177.A O no hydrogen 3.016 N/A LEU 157.A N ASP 137.A O no hydrogen 3.015 N/A TYR 159.A N TYR 135.A O no hydrogen 2.774 N/A TYR 159.A OH THR 413.A O no hydrogen 2.850 N/A TYR 160.A N HIS 171.A O no hydrogen 2.963 N/A ARG 161.A N LYS 133.A O no hydrogen 2.888 N/A ARG 161.A NE GLN 168.A OE1 no hydrogen 2.935 N/A ARG 161.A NH1 GLU 164.A O no hydrogen 2.825 N/A ARG 161.A NH2 GLN 168.A OE1 no hydrogen 2.908 N/A SER 162.A N ASP 166.A OD2 no hydrogen 3.073 N/A SER 162.A OG ASP 166.A OD2 no hydrogen 2.835 N/A SER 162.A OG HIS 203.A ND1 no hydrogen 3.211 N/A ASP 163.A N ASP 166.A OD2 no hydrogen 3.125 N/A ASP 165.A N ASP 163.A OD2 no hydrogen 2.793 N/A ASP 166.A N ASP 163.A O no hydrogen 2.870 N/A SER 167.A N ASN 205.A OD1 no hydrogen 2.703 N/A TYR 169.A OH ASP 137.A OD2 no hydrogen 2.659 N/A SER 170.A OG HIS 171.A ND1 no hydrogen 2.915 N/A HIS 171.A N GLN 168.A O no hydrogen 2.855 N/A HIS 171.A ND1 SER 170.A OG no hydrogen 2.915 N/A LEU 173.A N VAL 158.A O no hydrogen 2.904 N/A CYS 176.A N ASP 190.A O no hydrogen 2.811 N/A CYS 176.A SG GLN 155.A OE1 no hydrogen 4.011 N/A CYS 176.A SG ALA 156.A O no hydrogen 3.996 N/A ILE 178.A N PHE 188.A O no hydrogen 2.623 N/A VAL 179.A N GLN 154.A O no hydrogen 2.878 N/A ASP 180.A N LYS 185.A O no hydrogen 2.826 N/A THR 181.A N ARG 152.A O no hydrogen 2.814 N/A THR 181.A OG1 ARG 152.A O no hydrogen 3.361 N/A GLU 183.A N ASP 180.A OD1 no hydrogen 3.004 N/A LYS 184.A N THR 181.A O no hydrogen 3.320 N/A LYS 185.A N ASP 180.A O no hydrogen 3.405 N/A ILE 187.A N ILE 178.A O no hydrogen 2.859 N/A ASP 190.A N CYS 176.A O no hydrogen 2.825 N/A ARG 195.A NH1 ASP 174.A OD2 no hydrogen 2.428 N/A ARG 196.A N ASP 174.A OD2 no hydrogen 2.817 N/A ARG 196.A NE GLU 420.A OE1 no hydrogen 3.114 N/A ARG 196.A NH1 ARG 194.A O no hydrogen 2.874 N/A ARG 196.A NH2 GLU 420.A OE1 no hydrogen 3.306 N/A ARG 196.A NH2 GLU 420.A OE2 no hydrogen 3.190 N/A VAL 198.A N SER 124.A O no hydrogen 2.935 N/A SER 199.A OG HIS 201.A ND1 no hydrogen 3.391 N/A HIS 201.A N SER 199.A OG no hydrogen 3.111 N/A HIS 203.A NE2 TYR 160.A O no hydrogen 2.561 N/A ALA 204.A N SER 170.A OG no hydrogen 3.208 N/A ASN 205.A ND2 ASP 166.A OD1 no hydrogen 3.174 N/A TYR 207.A N HIS 210.A ND1 no hydrogen 3.040 N/A LYS 209.A NZ ASP 165.A OD2 no hydrogen 2.804 N/A MET 211.A N TYR 207.A O no hydrogen 2.857 N/A ILE 212.A N PRO 208.A O no hydrogen 2.789 N/A GLU 213.A N LYS 209.A O no hydrogen 3.374 N/A LYS 214.A N HIS 210.A O no hydrogen 2.835 N/A LYS 214.A NZ ASN 205.A O no hydrogen 2.902 N/A VAL 215.A N MET 211.A O no hydrogen 2.747 N/A GLN 229.A NE2 GLY 232.A O no hydrogen 3.422 N/A GLY 232.A N GLN 229.A O no hydrogen 3.001 N/A SER 234.A N GLU 350.A OE2 no hydrogen 2.641 N/A SER 234.A OG GLU 350.A OE1 no hydrogen 2.569 N/A SER 234.A OG GLU 350.A OE2 no hydrogen 3.286 N/A LYS 236.A N GLU 243.A O no hydrogen 2.853 N/A THR 238.A N VAL 241.A O no hydrogen 2.748 N/A ASN 240.A ND2 ASP 9.A OD1 no hydrogen 2.761 N/A VAL 241.A N THR 238.A O no hydrogen 3.254 N/A MET 242.A N PHE 249.A O no hydrogen 2.692 N/A GLU 243.A N LYS 236.A O no hydrogen 2.914 N/A TRP 244.A N PHE 247.A O no hydrogen 3.052 N/A TRP 244.A NE1 GLU 350.A OE1 no hydrogen 3.000 N/A ASN 246.A ND2 TYR 266.A OH no hydrogen 2.989 N/A PHE 247.A N TRP 244.A O no hydrogen 2.746 N/A LYS 248.A N SER 265.A O no hydrogen 2.985 N/A PHE 249.A N MET 242.A O no hydrogen 3.099 N/A HIS 250.A N SER 262.A O no hydrogen 2.923 N/A HIS 250.A NE2 ASP 9.A OD1 no hydrogen 2.788 N/A ILE 251.A N ASN 240.A O no hydrogen 2.926 N/A GLY 252.A N VAL 260.A O no hydrogen 2.713 N/A ASN 254.A N GLY 258.A O no hydrogen 3.033 N/A ASN 254.A ND2 GLU 257.A OE2 no hydrogen 3.044 N/A ARG 256.A N ASN 254.A OD1 no hydrogen 2.897 N/A ARG 256.A NH1 ASP 567.A O no hydrogen 2.757 N/A ARG 256.A NH2 GLY 566.A O no hydrogen 2.926 N/A ARG 256.A NH2 ASP 567.A O no hydrogen 3.316 N/A GLU 257.A N ASN 254.A OD1 no hydrogen 2.818 N/A GLY 258.A N ASN 254.A O no hydrogen 3.061 N/A ILE 259.A N GLN 381.A OE1 no hydrogen 3.043 N/A VAL 260.A N GLY 252.A O no hydrogen 3.004 N/A LEU 261.A N ILE 279.A O no hydrogen 3.124 N/A SER 262.A N HIS 250.A O no hydrogen 3.028 N/A ASP 263.A N HIS 277.A O no hydrogen 2.790 N/A VAL 264.A N PHE 276.A O no hydrogen 2.853 N/A SER 265.A N LYS 248.A O no hydrogen 2.979 N/A TYR 266.A N ARG 273.A O no hydrogen 2.858 N/A ASN 267.A N ASN 246.A O no hydrogen 2.687 N/A ASP 268.A N ASN 271.A O no hydrogen 2.619 N/A HIS 269.A N ASN 267.A O no hydrogen 2.941 N/A HIS 269.A NE2 ASP 638.A OD2 no hydrogen 2.897 N/A GLY 270.A N ASN 267.A OD1 no hydrogen 2.675 N/A ASN 271.A N ASP 268.A O no hydrogen 2.955 N/A ARG 273.A N TYR 266.A O no hydrogen 2.824 N/A ARG 273.A NE ASP 451.A OD1 no hydrogen 3.039 N/A ARG 273.A NH1 ASP 268.A OD2 no hydrogen 2.845 N/A ARG 273.A NH1 PHE 630.A O no hydrogen 2.970 N/A ARG 273.A NH2 ASP 451.A OD2 no hydrogen 3.168 N/A ARG 273.A NH2 PHE 630.A O no hydrogen 2.575 N/A ILE 275.A N VAL 264.A O no hydrogen 2.909 N/A PHE 276.A N VAL 264.A O no hydrogen 3.406 N/A HIS 277.A N ASP 447.A O no hydrogen 2.689 N/A HIS 277.A ND1 ASP 447.A OD2 no hydrogen 3.252 N/A ARG 278.A N ASP 447.A O no hydrogen 3.180 N/A ARG 278.A NE GLU 41.A OE1 no hydrogen 3.057 N/A ARG 278.A NH1 GLU 257.A OE1 no hydrogen 2.793 N/A ARG 278.A NH2 GLU 41.A OE2 no hydrogen 3.069 N/A ARG 278.A NH2 GLU 257.A OE1 no hydrogen 3.415 N/A ARG 278.A NH2 GLU 257.A OE2 no hydrogen 2.799 N/A ILE 279.A N LEU 261.A O no hydrogen 2.831 N/A SER 280.A N ARG 445.A O no hydrogen 3.143 N/A SER 280.A OG GLU 257.A OE1 no hydrogen 2.608 N/A SER 282.A N SER 443.A O no hydrogen 2.955 N/A SER 282.A OG SER 443.A O no hydrogen 3.023 N/A MET 284.A N GLU 283.A OE1 no hydrogen 2.988 N/A ILE 285.A N LEU 441.A O no hydrogen 3.082 N/A VAL 286.A N ALA 300.A O no hydrogen 2.842 N/A TYR 288.A N LYS 298.A O no hydrogen 3.151 N/A GLY 289.A N ASN 437.A O no hydrogen 2.844 N/A HIS 295.A N GLU 292.A O no hydrogen 2.760 N/A ARG 297.A N PRO 294.A O no hydrogen 3.036 N/A ARG 297.A NE GLN 155.A OE1 no hydrogen 2.984 N/A ARG 297.A NH1 ASP 144.A OD2 no hydrogen 2.900 N/A ARG 297.A NH1 ASP 190.A OD2 no hydrogen 2.739 N/A ARG 297.A NH2 GLN 155.A OE1 no hydrogen 3.312 N/A ARG 297.A NH2 ASP 190.A OD2 no hydrogen 2.956 N/A LYS 298.A N HIS 295.A O no hydrogen 3.217 N/A LYS 298.A NZ ASN 412.A OD1 no hydrogen 2.823 N/A LYS 298.A NZ HIS 436.A ND1 no hydrogen 2.988 N/A HIS 299.A ND1 GLN 296.A O no hydrogen 2.607 N/A LEU 301.A N GLU 305.A OE1 no hydrogen 3.041 N/A GLY 304.A N GLU 283.A OE1 no hydrogen 2.907 N/A GLU 305.A N LEU 301.A O no hydrogen 2.835 N/A TYR 306.A N ASP 302.A O no hydrogen 2.952 N/A GLY 307.A N ASP 302.A O no hydrogen 2.885 N/A ALA 308.A N ARG 256.A O no hydrogen 2.621 N/A GLY 309.A N TYR 255.A O no hydrogen 2.758 N/A TYR 310.A N TYR 255.A O no hydrogen 2.973 N/A TYR 310.A OH ASN 35.A O no hydrogen 2.856 N/A MET 311.A N GLY 307.A O no hydrogen 2.997 N/A THR 312.A N GLY 309.A O no hydrogen 3.088 N/A THR 312.A OG1 ILE 382.A O no hydrogen 3.540 N/A ASN 313.A N ILE 382.A O no hydrogen 2.759 N/A LEU 315.A N ASN 344.A O no hydrogen 2.542 N/A CYS 319.A N SER 316.A O no hydrogen 3.269 N/A CYS 319.A SG LEU 317.A O no hydrogen 3.863 N/A LYS 322.A NZ ILE 225.A O no hydrogen 2.744 N/A HIS 326.A N ILE 348.A O no hydrogen 2.909 N/A LEU 328.A N VAL 346.A O no hydrogen 2.952 N/A ALA 330.A N VAL 342.A O no hydrogen 2.912 N/A HIS 331.A ND1 THR 341.A OG1 no hydrogen 2.939 N/A PHE 332.A N ILE 340.A O no hydrogen 2.859 N/A SER 333.A OG ASP 334.A O no hydrogen 3.049 N/A ASP 334.A N ASP 338.A O no hydrogen 2.808 N/A ARG 335.A N GLU 102.A OE1 no hydrogen 2.683 N/A GLY 337.A N ASP 334.A O no hydrogen 2.851 N/A ASP 338.A N ASP 334.A OD1 no hydrogen 2.795 N/A ILE 340.A N PHE 332.A O no hydrogen 2.827 N/A THR 341.A OG1 HIS 331.A ND1 no hydrogen 2.939 N/A VAL 342.A N ALA 330.A O no hydrogen 2.848 N/A LYS 343.A NZ ASP 329.A OD2 no hydrogen 2.665 N/A ASN 344.A N ASP 329.A OD1 no hydrogen 2.738 N/A ALA 345.A N LEU 328.A O no hydrogen 2.727 N/A VAL 346.A N LEU 328.A O no hydrogen 3.296 N/A CYS 347.A N SER 380.A O no hydrogen 2.917 N/A CYS 347.A SG HIS 349.A ND1 no hydrogen 4.007 N/A ILE 348.A N HIS 326.A O no hydrogen 2.756 N/A HIS 349.A N VAL 378.A O no hydrogen 3.084 N/A GLU 351.A N LYS 376.A O no hydrogen 2.915 N/A ASP 353.A N ALA 374.A O no hydrogen 2.751 N/A LEU 356.A N THR 372.A O no hydrogen 2.799 N/A PHE 357.A N THR 372.A O no hydrogen 3.325 N/A HIS 359.A N LEU 370.A O no hydrogen 3.204 N/A SER 360.A OG SER 369.A OG no hydrogen 2.906 N/A ASP 361.A N THR 368.A O no hydrogen 2.885 N/A ARG 363.A N ASP 361.A OD1 no hydrogen 2.822 N/A ARG 363.A NH1 ASP 361.A OD1 no hydrogen 2.787 N/A ARG 363.A NH1 ASP 361.A OD2 no hydrogen 3.342 N/A ASN 365.A N PHE 362.A O no hydrogen 3.109 N/A PHE 366.A N ASP 361.A O no hydrogen 2.840 N/A ALA 367.A N ASP 364.A O no hydrogen 2.975 N/A THR 368.A N ASP 364.A OD1 no hydrogen 2.872 N/A THR 368.A OG1 ASP 364.A OD2 no hydrogen 2.394 N/A THR 368.A OG1 THR 647.A OG1 no hydrogen 2.562 N/A SER 369.A N MET 645.A O no hydrogen 2.957 N/A SER 369.A OG SER 360.A OG no hydrogen 2.906 N/A LEU 370.A N HIS 359.A O no hydrogen 3.165 N/A VAL 371.A N TYR 643.A O no hydrogen 2.914 N/A THR 372.A N PHE 357.A O no hydrogen 3.169 N/A ALA 374.A N GLY 354.A O no hydrogen 2.568 N/A THR 375.A N GLN 397.A OE1 no hydrogen 2.813 N/A THR 375.A OG1 GLU 351.A O no hydrogen 3.326 N/A LYS 376.A N GLU 351.A O no hydrogen 2.834 N/A LEU 377.A N PHE 395.A O no hydrogen 3.039 N/A VAL 378.A N HIS 349.A O no hydrogen 2.827 N/A VAL 379.A N TRP 393.A O no hydrogen 2.926 N/A SER 380.A N CYS 347.A O no hydrogen 2.915 N/A SER 380.A OG GLN 381.A O no hydrogen 3.553 N/A SER 380.A OG LEU 391.A O no hydrogen 2.865 N/A GLN 381.A N LEU 391.A O no hydrogen 3.177 N/A GLN 381.A NE2 ALA 308.A O no hydrogen 2.927 N/A GLN 381.A NE2 THR 312.A OG1 no hydrogen 2.947 N/A PHE 383.A N TYR 389.A O no hydrogen 3.016 N/A THR 384.A N MET 311.A O no hydrogen 2.978 N/A THR 384.A OG1 ASN 313.A OD1 no hydrogen 3.003 N/A THR 384.A OG1 GLU 388.A OE1 no hydrogen 2.557 N/A ASN 387.A ND2 ILE 410.A O no hydrogen 2.828 N/A GLU 388.A N THR 408.A O no hydrogen 3.021 N/A TYR 389.A N PHE 383.A O no hydrogen 2.915 N/A TYR 389.A OH HIS 440.A ND1 no hydrogen 2.954 N/A CYS 390.A N ARG 406.A O no hydrogen 2.978 N/A CYS 390.A SG ARG 406.A O no hydrogen 3.507 N/A LEU 391.A N GLN 381.A O no hydrogen 2.929 N/A TYR 392.A N ASP 404.A O no hydrogen 2.856 N/A TRP 393.A N VAL 379.A O no hydrogen 2.882 N/A VAL 394.A N ARG 402.A O no hydrogen 2.811 N/A PHE 395.A N LEU 377.A O no hydrogen 2.885 N/A MET 396.A N ALA 400.A O no hydrogen 2.923 N/A GLN 397.A NE2 SER 245.A OG no hydrogen 3.191 N/A GLY 399.A N MET 396.A O no hydrogen 3.115 N/A ALA 400.A N ASP 398.A OD1 no hydrogen 3.002 N/A ILE 401.A N LEU 625.A O no hydrogen 3.196 N/A ARG 402.A N VAL 394.A O no hydrogen 2.800 N/A ARG 402.A NE ASP 404.A OD1 no hydrogen 3.027 N/A ARG 402.A NE ASP 404.A OD2 no hydrogen 2.996 N/A ARG 402.A NH2 ASP 404.A OD2 no hydrogen 3.067 N/A LEU 403.A N LEU 623.A O no hydrogen 2.998 N/A ASP 404.A N TYR 392.A O no hydrogen 2.993 N/A ILE 405.A N ILE 621.A O no hydrogen 2.768 N/A ARG 406.A N CYS 390.A O no hydrogen 2.925 N/A LEU 407.A N GLU 619.A O no hydrogen 2.763 N/A THR 408.A N GLU 388.A O no hydrogen 3.172 N/A THR 408.A OG1 MET 616.A O no hydrogen 2.617 N/A GLY 409.A N THR 408.A OG1 no hydrogen 2.690 N/A ILE 410.A N ASN 387.A O no hydrogen 2.684 N/A THR 413.A OG1 TYR 169.A O no hydrogen 2.588 N/A TYR 414.A N ASN 434.A O no hydrogen 2.942 N/A TYR 414.A OH ASP 174.A O no hydrogen 2.831 N/A LEU 416.A N ASN 432.A O no hydrogen 2.936 N/A GLY 417.A N GLU 420.A OE1 no hydrogen 2.662 N/A GLU 420.A N GLY 417.A O no hydrogen 3.015 N/A GLY 426.A N ALA 422.A O no hydrogen 3.028 N/A THR 427.A N ALA 435.A O no hydrogen 2.794 N/A THR 427.A OG1 PRO 608.A O no hydrogen 2.590 N/A TYR 430.A OH LYS 202.A O no hydrogen 2.606 N/A ASN 432.A ND2 HIS 201.A ND1 no hydrogen 3.027 N/A VAL 433.A N TYR 430.A O no hydrogen 2.804 N/A ASN 434.A N TYR 414.A O no hydrogen 2.893 N/A ASN 434.A ND2 THR 427.A O no hydrogen 3.684 N/A ALA 435.A N THR 427.A O no hydrogen 2.879 N/A ASN 437.A N TRP 425.A O no hydrogen 2.723 N/A ASN 437.A ND2 PRO 424.A O no hydrogen 2.972 N/A HIS 438.A N HIS 606.A O no hydrogen 3.132 N/A HIS 438.A ND1 HIS 436.A O no hydrogen 2.957 N/A HIS 438.A NE2 HIS 440.A NE2 no hydrogen 2.779 N/A GLN 439.A N PRO 287.A O no hydrogen 2.953 N/A HIS 440.A N ILE 604.A O no hydrogen 2.913 N/A HIS 440.A ND1 TYR 389.A OH no hydrogen 2.954 N/A HIS 440.A NE2 HIS 438.A NE2 no hydrogen 2.779 N/A LEU 441.A N ILE 285.A O no hydrogen 2.944 N/A PHE 442.A N PHE 602.A O no hydrogen 2.728 N/A SER 443.A N GLU 283.A O no hydrogen 2.967 N/A SER 443.A OG SER 282.A OG no hydrogen 3.395 N/A LEU 444.A N HIS 600.A O no hydrogen 2.782 N/A ARG 445.A N SER 280.A O no hydrogen 2.824 N/A ARG 445.A NE ARG 561.A O no hydrogen 2.888 N/A ARG 445.A NH2 ARG 561.A O no hydrogen 3.050 N/A ILE 446.A N PHE 598.A O no hydrogen 2.890 N/A ASP 447.A N ARG 278.A O no hydrogen 2.808 N/A ARG 449.A N ILE 275.A O no hydrogen 2.937 N/A ARG 449.A NH1 GLU 52.A OE1 no hydrogen 3.484 N/A ARG 449.A NH1 ASP 453.A OD1 no hydrogen 3.268 N/A ARG 449.A NH1 ASP 453.A OD2 no hydrogen 3.260 N/A ARG 449.A NH2 GLU 52.A OE2 no hydrogen 2.443 N/A ASP 451.A N PRO 274.A O no hydrogen 2.827 N/A GLY 452.A N ARG 449.A O no hydrogen 2.894 N/A ASN 455.A N THR 594.A O no hydrogen 3.014 N/A SER 456.A N PHE 508.A O no hydrogen 2.867 N/A SER 456.A OG ASP 592.A OD1 no hydrogen 2.773 N/A ALA 458.A N ASP 506.A O no hydrogen 2.860 N/A ALA 459.A N THR 485.A O no hydrogen 2.990 N/A CYS 460.A N SER 504.A O no hydrogen 2.746 N/A ASP 461.A N GLU 483.A O no hydrogen 2.937 N/A ALA 462.A N THR 501.A O no hydrogen 2.958 N/A LYS 463.A N TYR 481.A O no hydrogen 2.842 N/A SER 465.A N ALA 479.A O no hydrogen 2.944 N/A TYR 467.A N SER 465.A OG no hydrogen 3.040 N/A GLY 470.A N MET 475.A O no hydrogen 2.895 N/A SER 471.A N PRO 468.A O no hydrogen 3.129 N/A SER 471.A OG PRO 468.A O no hydrogen 2.602 N/A GLU 473.A N GLU 473.A OE1 no hydrogen 2.847 N/A ASN 474.A N SER 471.A O no hydrogen 3.003 N/A ASN 474.A ND2 TYR 467.A O no hydrogen 2.880 N/A GLY 477.A N ASN 474.A O no hydrogen 2.875 N/A ALA 479.A N ASN 474.A OD1 no hydrogen 3.119 N/A TYR 481.A N LYS 463.A O no hydrogen 2.835 N/A GLU 483.A N ASP 461.A O no hydrogen 2.622 N/A THR 485.A N ALA 459.A O no hydrogen 2.971 N/A PHE 487.A N ALA 457.A O no hydrogen 2.993 N/A LYS 488.A N ASP 492.A OD2 no hydrogen 3.096 N/A THR 489.A N ASP 492.A OD2 no hydrogen 2.791 N/A THR 489.A OG1 SER 588.A O no hydrogen 3.224 N/A VAL 490.A N GLU 589.A O no hydrogen 2.890 N/A LYS 491.A N GLY 587.A O no hydrogen 2.871 N/A ASP 492.A N THR 489.A O no hydrogen 2.701 N/A SER 493.A N VAL 490.A O no hydrogen 2.975 N/A SER 493.A OG VAL 490.A O no hydrogen 2.705 N/A SER 493.A OG VAL 554.A O no hydrogen 3.306 N/A THR 495.A N VAL 552.A O no hydrogen 3.356 N/A THR 495.A OG1 SER 493.A O no hydrogen 2.784 N/A TYR 497.A N SER 551.A OG no hydrogen 3.049 N/A THR 501.A N GLU 498.A O no hydrogen 3.408 N/A THR 501.A OG1 ASP 461.A OD1 no hydrogen 2.533 N/A GLY 502.A N SER 499.A O no hydrogen 3.056 N/A ARG 503.A N GLU 498.A O no hydrogen 3.235 N/A ARG 503.A NE ASP 461.A OD1 no hydrogen 2.819 N/A ARG 503.A NH1 ASN 496.A O no hydrogen 2.803 N/A ARG 503.A NH2 ASP 461.A OD1 no hydrogen 3.352 N/A ARG 503.A NH2 ASP 461.A OD2 no hydrogen 2.956 N/A SER 504.A N CYS 460.A O no hydrogen 3.139 N/A TRP 505.A N LEU 525.A O no hydrogen 3.307 N/A TRP 505.A NE1 THR 495.A OG1 no hydrogen 3.021 N/A ASP 506.A N ALA 458.A O no hydrogen 2.857 N/A ILE 507.A N TYR 523.A O no hydrogen 3.087 N/A PHE 508.A N SER 456.A O no hydrogen 2.937 N/A ASN 509.A N PRO 521.A O no hydrogen 3.193 N/A ASN 511.A ND2 ASN 593.A OD1 no hydrogen 2.924 N/A LYS 512.A N ASN 509.A O no hydrogen 3.177 N/A LYS 512.A NZ ASP 451.A O no hydrogen 2.596 N/A ASN 514.A N LYS 519.A O no hydrogen 2.575 N/A ASN 514.A ND2 HIS 629.A O no hydrogen 2.926 N/A ASN 514.A ND2 PHE 631.A O no hydrogen 2.904 N/A TYR 516.A N ASN 514.A OD1 no hydrogen 2.788 N/A SER 517.A N ASN 514.A OD1 no hydrogen 3.129 N/A SER 517.A OG HIS 629.A ND1 no hydrogen 2.621 N/A GLY 518.A N ASN 514.A O no hydrogen 2.850 N/A LYS 519.A N SER 517.A OG no hydrogen 3.238 N/A SER 522.A OG ARG 628.A O no hydrogen 2.894 N/A TYR 523.A N ILE 507.A O no hydrogen 3.031 N/A TYR 523.A OH GLY 399.A O no hydrogen 2.516 N/A LYS 524.A N ARG 626.A O no hydrogen 2.683 N/A LYS 524.A NZ SER 504.A OG no hydrogen 2.914 N/A LYS 524.A NZ ASP 506.A OD1 no hydrogen 2.645 N/A LEU 525.A N TRP 505.A O no hydrogen 2.746 N/A VAL 526.A N MET 624.A O no hydrogen 2.816 N/A SER 527.A OG HIS 600.A NE2 no hydrogen 2.752 N/A GLN 529.A NE2 THR 622.A O no hydrogen 3.565 N/A CYS 530.A SG SER 527.A OG no hydrogen 3.521 N/A SER 539.A N LYS 536.A O no hydrogen 3.152 N/A SER 539.A OG LYS 536.A O no hydrogen 2.608 N/A ALA 542.A N SER 539.A OG no hydrogen 3.061 N/A LYS 543.A N SER 539.A O no hydrogen 2.899 N/A LYS 543.A NZ ASP 575.A OD1 no hydrogen 2.606 N/A LYS 543.A NZ ASP 575.A OD2 no hydrogen 3.173 N/A ARG 544.A N LEU 540.A O no hydrogen 2.902 N/A ARG 544.A NE TRP 572.A O no hydrogen 2.723 N/A ARG 544.A NH1 HIS 299.A NE2 no hydrogen 2.859 N/A ARG 544.A NH2 GLU 305.A OE2 no hydrogen 3.058 N/A ARG 544.A NH2 VAL 569.A O no hydrogen 2.881 N/A ALA 545.A N VAL 541.A O no hydrogen 3.049 N/A TRP 547.A NE1 SER 565.A OG no hydrogen 2.944 N/A ALA 548.A N ALA 545.A O no hydrogen 3.019 N/A SER 549.A OG PRO 546.A O no hydrogen 3.168 N/A SER 551.A N ASN 496.A OD1 no hydrogen 2.957 N/A VAL 552.A N THR 495.A O no hydrogen 2.894 N/A ASN 553.A N PHE 599.A O no hydrogen 2.973 N/A ASN 553.A ND2 TRP 547.A O no hydrogen 3.163 N/A ASN 553.A ND2 HIS 550.A O no hydrogen 3.654 N/A ASN 553.A ND2 PHE 599.A O no hydrogen 3.423 N/A VAL 554.A N SER 493.A OG no hydrogen 2.906 N/A VAL 555.A N LEU 597.A O no hydrogen 2.955 N/A TYR 557.A N ASP 595.A O no hydrogen 2.849 N/A TYR 557.A OH ASP 559.A OD1 no hydrogen 2.562 N/A ARG 561.A N LYS 558.A O no hydrogen 3.312 N/A ARG 561.A NH1 PRO 556.A O no hydrogen 2.702 N/A TYR 563.A OH GLU 257.A OE2 no hydrogen 3.006 N/A SER 565.A OG ARG 544.A O no hydrogen 2.689 N/A GLY 566.A N TYR 563.A O no hydrogen 3.087 N/A HIS 568.A NE2 GLU 76.A OE1 no hydrogen 2.867 N/A GLN 571.A N GLY 142.A O no hydrogen 3.015 N/A GLN 571.A NE2 GLY 148.A O no hydrogen 2.753 N/A GLN 571.A NE2 LYS 151.A O no hydrogen 2.566 N/A TRP 572.A N VAL 569.A O no hydrogen 3.231 N/A TRP 572.A NE1 ASP 575.A O no hydrogen 2.890 N/A SER 573.A OG ASP 575.A OD2 no hydrogen 2.563 N/A ASP 575.A N SER 573.A OG no hydrogen 3.144 N/A MET 580.A N PRO 564.A O no hydrogen 2.942 N/A ARG 581.A NH1 GLY 574.A O no hydrogen 2.715 N/A ARG 581.A NH1 GLY 576.A O no hydrogen 2.782 N/A ARG 581.A NH2 LYS 543.A O no hydrogen 2.890 N/A GLU 582.A N GLY 579.A O no hydrogen 2.800 N/A TRP 583.A N GLY 579.A O no hydrogen 2.975 N/A ILE 584.A N MET 580.A O no hydrogen 2.730 N/A GLY 585.A N ARG 581.A O no hydrogen 3.151 N/A GLY 587.A N ILE 584.A O no hydrogen 2.805 N/A SER 588.A N ASP 586.A OD1 no hydrogen 2.705 N/A SER 588.A OG ASP 586.A OD1 no hydrogen 2.784 N/A SER 588.A OG ASP 586.A OD2 no hydrogen 3.428 N/A ASN 590.A ND2 ASP 592.A O no hydrogen 3.290 N/A ILE 591.A N LYS 488.A O no hydrogen 3.108 N/A ASP 592.A N ASN 590.A OD1 no hydrogen 2.824 N/A ASN 593.A N SER 456.A OG no hydrogen 2.635 N/A ASN 593.A ND2 ASN 511.A OD1 no hydrogen 3.145 N/A THR 594.A N ASN 455.A O no hydrogen 2.979 N/A ASP 595.A N THR 594.A OG1 no hydrogen 2.820 N/A LEU 597.A N VAL 555.A O no hydrogen 2.780 N/A PHE 598.A N ILE 446.A O no hydrogen 2.930 N/A PHE 599.A N ASN 553.A O no hydrogen 2.817 N/A HIS 600.A N LEU 444.A O no hydrogen 2.796 N/A HIS 600.A ND1 SER 551.A O no hydrogen 2.799 N/A HIS 600.A NE2 SER 527.A OG no hydrogen 2.752 N/A THR 601.A N SER 551.A O no hydrogen 2.767 N/A THR 601.A OG1 TRP 547.A O no hydrogen 2.912 N/A THR 601.A OG1 HIS 550.A O no hydrogen 2.930 N/A PHE 602.A N PHE 442.A O no hydrogen 3.123 N/A GLY 603.A N GLN 529.A O no hydrogen 2.831 N/A ILE 604.A N HIS 440.A O no hydrogen 2.956 N/A THR 605.A OG1 GLN 439.A OE1 no hydrogen 3.216 N/A HIS 606.A N HIS 438.A O no hydrogen 2.678 N/A HIS 606.A NE2 ASP 612.A OD2 no hydrogen 2.809 N/A ALA 609.A N ASP 612.A OD2 no hydrogen 3.207 N/A GLU 611.A N GLU 611.A OE1 no hydrogen 2.994 N/A ASP 612.A N ALA 609.A O no hydrogen 2.801 N/A PHE 613.A N PRO 610.A O no hydrogen 2.850 N/A MET 616.A N GLY 409.A O no hydrogen 2.956 N/A GLU 619.A N LEU 407.A O no hydrogen 2.836 N/A ILE 621.A N ILE 405.A O no hydrogen 2.874 N/A THR 622.A OG1 LEU 403.A O no hydrogen 3.515 N/A THR 622.A OG1 ASP 404.A OD1 no hydrogen 2.718 N/A LEU 623.A N LEU 403.A O no hydrogen 3.270 N/A MET 624.A N VAL 526.A O no hydrogen 3.054 N/A LEU 625.A N ILE 401.A O no hydrogen 2.798 N/A ARG 626.A N LYS 524.A O no hydrogen 2.921 N/A ARG 628.A N SER 522.A O no hydrogen 2.871 N/A HIS 629.A ND1 SER 517.A OG no hydrogen 2.621 N/A GLY 636.A N ASN 634.A OD1 no hydrogen 2.848 N/A ILE 639.A N GLY 636.A O no hydrogen 3.155 N/A SER 642.A N VAL 371.A O no hydrogen 2.539 N/A TYR 643.A N VAL 371.A O no hydrogen 3.150 N/A MET 645.A N SER 369.A O no hydrogen 2.665 N/A THR 646.A N GLU 649.A OE1 no hydrogen 3.213 N/A THR 647.A OG1 THR 368.A OG1 no hydrogen 2.562 N/A ALA 650.A N THR 646.A O no hydrogen 2.914 N/A LYS 651.A N THR 647.A O no hydrogen 3.210 N/A LYS 651.A N SER 648.A O no hydrogen 3.029 N/A ARG 652.A N SER 648.A O no hydrogen 3.003 N/A ALA 653.A N GLU 649.A O no hydrogen 3.050 N/A VAL 654.A N LYS 651.A O no hydrogen 2.595 N/A