Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w6q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 5.A O no hydrogen 2.833 N/A GLY 1.A N ASP 79.A OD1 no hydrogen 2.913 N/A GLY 4.A N GLY 1.A O no hydrogen 3.063 N/A SER 5.A N PRO 2.A O no hydrogen 3.321 N/A TYR 7.A N ASP 79.A OD1 no hydrogen 2.977 N/A TYR 7.A N ASP 79.A OD2 no hydrogen 2.937 N/A TYR 7.A OH GLU 116.A OE1 no hydrogen 2.648 N/A TYR 7.A OH GLU 116.A OE2 no hydrogen 3.186 N/A ILE 9.A N HIS 378.A O no hydrogen 3.029 N/A THR 10.A N GLN 112.A OE1 no hydrogen 2.822 N/A THR 10.A OG1 GLY 11.A O no hydrogen 2.675 N/A THR 10.A OG1 GLN 112.A OE1 no hydrogen 3.333 N/A GLY 11.A N GLN 112.A OE1 no hydrogen 2.928 N/A LYS 14.A NZ SER 400.A O no hydrogen 3.235 N/A LYS 17.A N ASP 15.A OD1 no hydrogen 2.945 N/A HIS 18.A N ASP 15.A O no hydrogen 2.692 N/A HIS 18.A NE2 ASN 136.A OD1 no hydrogen 2.959 N/A ARG 23.A N ASP 404.A O no hydrogen 2.933 N/A ARG 23.A NE GLU 111.A OE1 no hydrogen 2.852 N/A ARG 23.A NH1 TYR 405.A OH no hydrogen 3.032 N/A ARG 23.A NH2 GLU 111.A OE2 no hydrogen 2.908 N/A LYS 24.A NZ GLU 32.A OE1.A no hydrogen 3.346 N/A ILE 26.A N TYR 145.A O no hydrogen 2.777 N/A ASP 27.A N ASP 25.A OD1 no hydrogen 2.802 N/A ASP 28.A N ASP 25.A OD1 no hydrogen 3.226 N/A TRP 29.A N ASP 25.A O no hydrogen 2.838 N/A TRP 29.A NE1 GLN 42.A OE1 no hydrogen 2.867 N/A TYR 30.A N ILE 26.A O no hydrogen 2.941 N/A LEU 31.A N ASP 27.A O no hydrogen 2.954 N/A GLU 32.A N ASP 28.A O no hydrogen 2.890 N/A GLN 33.A N TRP 29.A O no hydrogen 2.807 N/A GLN 33.A NE2 GLU 32.A OE1.B no hydrogen 2.823 N/A GLN 33.A NE2 GLU 32.A OE2.A no hydrogen 2.997 N/A THR 34.A N TYR 30.A O no hydrogen 3.068 N/A THR 34.A OG1 TYR 30.A O no hydrogen 2.924 N/A THR 34.A OG1 LEU 31.A O no hydrogen 3.356 N/A SER 35.A N GLU 32.A O no hydrogen 2.990 N/A SER 35.A OG GLU 32.A O no hydrogen 2.730 N/A GLY 37.A N SER 35.A OG no hydrogen 3.308 N/A SER 38.A N SER 35.A O no hydrogen 3.199 N/A SER 38.A OG GLU 32.A OE2.B no hydrogen 3.044 N/A ASN 39.A ND2 GLU 137.A OE1 no hydrogen 2.807 N/A ARG 40.A N SER 38.A OG no hydrogen 3.168 N/A ARG 40.A NE LYS 170.A O no hydrogen 2.864 N/A ARG 40.A NH2 LYS 170.A O no hydrogen 3.013 N/A ILE 41.A N ASN 39.A OD1 no hydrogen 2.906 N/A GLN 42.A NE2 GLU 137.A O no hydrogen 3.452 N/A GLN 42.A NE2 GLU 137.A OE2 no hydrogen 3.224 N/A LEU 43.A N GLN 33.A OE1 no hydrogen 3.034 N/A THR 44.A N ARG 40.A O no hydrogen 3.176 N/A THR 44.A OG1 ARG 40.A O no hydrogen 2.799 N/A LEU 45.A N ILE 41.A O no hydrogen 2.791 N/A PHE 46.A N GLN 42.A O no hydrogen 2.867 N/A VAL 47.A N LEU 43.A O no hydrogen 2.959 N/A GLU 48.A N THR 44.A O no hydrogen 2.914 N/A ALA 49.A N LEU 45.A O no hydrogen 2.887 N/A LEU 50.A N PHE 46.A O no hydrogen 3.002 N/A THR 51.A N VAL 47.A O no hydrogen 3.048 N/A THR 51.A OG1 VAL 47.A O no hydrogen 2.822 N/A VAL 52.A N GLU 48.A O no hydrogen 3.146 N/A ILE 53.A N ALA 49.A O no hydrogen 2.961 N/A GLN 54.A N LEU 50.A O no hydrogen 2.885 N/A GLN 54.A NE2 PRO 186.A O no hydrogen 2.915 N/A ASN 55.A N THR 51.A O no hydrogen 3.006 N/A ASN 55.A N VAL 52.A O no hydrogen 3.049 N/A ARG 56.A N ILE 53.A O no hydrogen 3.411 N/A ARG 56.A NH1 LEU 62.A O no hydrogen 2.942 N/A ASP 60.A N PRO 57.A O no hydrogen 3.072 N/A GLN 61.A NE2 ASP 79.A OD1 no hydrogen 3.005 N/A LEU 62.A N ASP 60.A OD1 no hydrogen 2.935 N/A SER 63.A N ASP 60.A O no hydrogen 2.903 N/A SER 63.A OG PRO 57.A O no hydrogen 3.431 N/A SER 63.A OG ASP 60.A O no hydrogen 2.858 N/A TYR 64.A N ILE 53.A O no hydrogen 2.907 N/A TYR 64.A OH TYR 334.A O no hydrogen 2.690 N/A ARG 66.A N SER 63.A OG no hydrogen 3.242 N/A ARG 66.A NH1 LEU 58.A O no hydrogen 3.080 N/A ARG 66.A NH2 GLU 77.A O no hydrogen 2.912 N/A ARG 66.A NH2 GLU 77.A OE1 no hydrogen 3.337 N/A LEU 67.A N SER 63.A O no hydrogen 3.003 N/A ALA 68.A N TYR 64.A O no hydrogen 2.947 N/A GLY 69.A N PHE 65.A O no hydrogen 2.789 N/A ILE 70.A N LEU 67.A O no hydrogen 3.212 N/A HIS 71.A N ALA 68.A O no hydrogen 3.142 N/A ALA 73.A N PRO 330.A O no hydrogen 2.866 N/A TRP 75.A N GLY 72.A O no hydrogen 2.973 N/A THR 76.A OG1 GLU 77.A O no hydrogen 3.030 N/A TRP 78.A N VAL 81.A O no hydrogen 3.122 N/A TRP 78.A NE1 GLN 61.A O no hydrogen 2.829 N/A ASP 79.A N GLN 61.A OE1 no hydrogen 2.869 N/A GLY 80.A N GLU 77.A OE2 no hydrogen 3.075 N/A VAL 81.A N TRP 78.A O no hydrogen 2.910 N/A GLY 84.A N TRP 75.A O no hydrogen 2.749 N/A PHE 91.A N ILE 70.A O no hydrogen 3.261 N/A CYS 92.A SG.A HIS 71.A O no hydrogen 3.193 N/A CYS 92.A SG.B HIS 71.A NE2 no hydrogen 3.289 N/A CYS 92.A SG.B VAL 93.A O no hydrogen 3.670 N/A CYS 92.A SG.B HIS 94.A NE2 no hydrogen 3.033 N/A CYS 92.A SG.B HIS 103.A NE2 no hydrogen 3.107 N/A ASN 95.A N GLU 295.A OE2 no hydrogen 2.670 N/A ASN 95.A ND2 LEU 487.A O no hydrogen 3.541 N/A TYR 97.A N ASN 96.A OD1 no hydrogen 2.853 N/A TYR 97.A OH ASP 286.A OD2 no hydrogen 2.706 N/A PHE 99.A N ASN 96.A O no hydrogen 3.007 N/A THR 101.A OG1 THR 98.A O no hydrogen 3.164 N/A THR 101.A OG1 SER 392.A OG no hydrogen 2.746 N/A TRP 102.A N THR 98.A O no hydrogen 2.876 N/A TRP 102.A NE1 ARG 375.A O no hydrogen 2.845 N/A HIS 103.A N PHE 99.A O no hydrogen 3.334 N/A HIS 103.A ND1 PHE 99.A O no hydrogen 2.846 N/A ARG 104.A N PRO 100.A O no hydrogen 2.889 N/A ARG 104.A NE ASP 346.A OD1 no hydrogen 2.670 N/A ARG 104.A NH1 GLN 353.A OE1 no hydrogen 2.906 N/A ARG 104.A NH1 VAL 395.A O no hydrogen 2.808 N/A ARG 104.A NH2 ASP 346.A O no hydrogen 3.559 N/A ARG 104.A NH2 ASP 346.A OD1 no hydrogen 3.549 N/A ARG 104.A NH2 GLN 353.A OE1 no hydrogen 3.029 N/A VAL 105.A N THR 101.A O no hydrogen 3.195 N/A TYR 106.A N TRP 102.A O no hydrogen 3.073 N/A TYR 106.A OH LEU 67.A O no hydrogen 2.658 N/A VAL 107.A N HIS 103.A O no hydrogen 2.943 N/A THR 108.A N ARG 104.A O no hydrogen 3.237 N/A THR 108.A OG1 ARG 104.A O no hydrogen 3.174 N/A LEU 109.A N VAL 105.A O no hydrogen 2.933 N/A TYR 110.A N TYR 106.A O no hydrogen 3.251 N/A GLU 111.A N VAL 107.A O no hydrogen 2.983 N/A GLN 112.A N THR 108.A O no hydrogen 2.843 N/A GLN 112.A NE2 LEU 8.A O no hydrogen 3.140 N/A GLN 112.A NE2 GLU 116.A OE2 no hydrogen 3.184 N/A VAL 113.A N LEU 109.A O no hydrogen 2.960 N/A ILE 114.A N TYR 110.A O no hydrogen 3.036 N/A TYR 115.A N GLU 111.A O no hydrogen 3.020 N/A GLU 116.A N GLN 112.A O no hydrogen 2.997 N/A ALA 117.A N VAL 113.A O no hydrogen 2.942 N/A MET 118.A N ILE 114.A O no hydrogen 2.771 N/A LEU 119.A N TYR 115.A O no hydrogen 3.052 N/A ASP 120.A N GLU 116.A O no hydrogen 3.112 N/A PHE 121.A N ALA 117.A O no hydrogen 2.906 N/A ILE 122.A N MET 118.A O no hydrogen 2.959 N/A LYS 123.A N LEU 119.A O no hydrogen 3.002 N/A GLN 124.A N ASP 120.A O no hydrogen 3.063 N/A GLN 124.A N PHE 121.A O no hydrogen 3.233 N/A ASN 125.A N PHE 121.A O no hydrogen 2.875 N/A ASN 125.A ND2 PHE 121.A O no hydrogen 3.001 N/A VAL 126.A N ILE 122.A O no hydrogen 3.100 N/A GLY 130.A N PRO 127.A O no hydrogen 2.819 N/A LYS 131.A N GLN 128.A O no hydrogen 3.269 N/A LYS 131.A NZ LYS 123.A O no hydrogen 3.176 N/A TRP 134.A N GLY 130.A O no hydrogen 3.016 N/A GLU 135.A N LYS 131.A O no hydrogen 2.833 N/A ASN 136.A N ALA 132.A O no hydrogen 3.037 N/A GLU 137.A N ASP 133.A O no hydrogen 3.284 N/A ALA 138.A N TRP 134.A O no hydrogen 2.997 N/A LYS 139.A N GLU 135.A O no hydrogen 2.911 N/A LYS 139.A NZ ASP 15.A OD2 no hydrogen 3.121 N/A GLN 140.A N ASN 136.A O no hydrogen 3.127 N/A GLN 140.A N GLU 137.A O no hydrogen 3.228 N/A GLN 140.A NE2 HIS 18.A ND1 no hydrogen 2.843 N/A TRP 141.A N GLU 137.A O no hydrogen 2.983 N/A TRP 141.A N ALA 138.A O no hydrogen 3.179 N/A ARG 142.A NE ASN 402.A O no hydrogen 2.873 N/A ARG 142.A NH1 LYS 139.A O no hydrogen 2.935 N/A ARG 142.A NH1 TRP 141.A O no hydrogen 2.807 N/A ARG 142.A NH2 ASN 402.A O no hydrogen 3.093 N/A LEU 143.A N GLU 111.A OE1 no hydrogen 2.802 N/A TYR 145.A N LYS 24.A O no hydrogen 2.884 N/A TRP 146.A N LEU 340.A O no hydrogen 3.098 N/A TRP 146.A NE1 ARG 159.A O no hydrogen 2.876 N/A ALA 149.A N ASP 147.A OD1 no hydrogen 3.355 N/A ARG 150.A N ASP 147.A O no hydrogen 3.212 N/A ARG 150.A NH1 ASP 25.A OD2 no hydrogen 3.192 N/A ARG 150.A NH1 ASP 28.A OD1 no hydrogen 3.498 N/A ARG 150.A NH1 ASP 28.A OD2 no hydrogen 2.877 N/A ALA 152.A N GLU 157.A O no hydrogen 2.868 N/A ARG 153.A NE ASP 28.A OD1 no hydrogen 3.421 N/A ARG 153.A NH2 ASP 25.A OD1 no hydrogen 3.265 N/A LEU 158.A N ASN 245.A OD1 no hydrogen 2.821 N/A ARG 159.A NE GLU 157.A OE2 no hydrogen 2.771 N/A ARG 159.A NH2 GLU 157.A OE2 no hydrogen 3.411 N/A LEU 160.A N ASN 241.A OD1 no hydrogen 2.755 N/A ILE 162.A N ASP 27.A OD1 no hydrogen 2.768 N/A VAL 164.A N PRO 161.A O no hydrogen 3.123 N/A THR 165.A N ILE 162.A O no hydrogen 2.911 N/A THR 165.A OG1 ILE 162.A O no hydrogen 2.680 N/A MET 166.A N LEU 163.A O no hydrogen 3.357 N/A VAL 169.A N LYS 183.A O no hydrogen 2.846 N/A VAL 171.A N LEU 181.A O no hydrogen 2.874 N/A LEU 172.A N THR 44.A OG1 no hydrogen 2.958 N/A VAL 173.A N LYS 179.A O no hydrogen 3.126 N/A GLN 176.A N VAL 173.A O no hydrogen 2.986 N/A LYS 179.A N GLN 176.A O no hydrogen 2.957 N/A LYS 179.A NZ PRO 177.A O no hydrogen 2.930 N/A LEU 181.A N VAL 171.A O no hydrogen 2.840 N/A LYS 183.A N VAL 169.A O no hydrogen 2.862 N/A LYS 183.A NZ GLU 48.A OE1 no hydrogen 3.501 N/A LYS 183.A NZ GLU 48.A OE2 no hydrogen 2.506 N/A ASN 185.A N PRO 167.A O no hydrogen 2.973 N/A ASN 185.A ND2 LEU 163.A O no hydrogen 2.652 N/A ASN 185.A ND2 MET 166.A O no hydrogen 2.812 N/A LEU 187.A N ASN 185.A OD1 no hydrogen 3.006 N/A TYR 188.A N ASN 185.A O no hydrogen 3.133 N/A PHE 190.A N THR 216.A OG1 no hydrogen 2.952 N/A MET 192.A N GLN 214.A O no hydrogen 2.873 N/A MET 196.A N CYS 213.A O no hydrogen 2.749 N/A GLY 197.A N ASP 211.A O no hydrogen 2.987 N/A THR 198.A N LEU 195.A O no hydrogen 2.924 N/A THR 198.A OG1 LEU 195.A O no hydrogen 2.785 N/A TYR 203.A N GLU 200.A O no hydrogen 2.862 N/A ILE 205.A N MET 196.A O no hydrogen 2.812 N/A PHE 210.A N LEU 208.A O no hydrogen 2.747 N/A LYS 212.A N PRO 209.A O no hydrogen 2.930 N/A LYS 212.A NZ ASP 211.A OD2 no hydrogen 2.943 N/A CYS 213.A N PHE 210.A O no hydrogen 3.177 N/A CYS 213.A SG PRO 209.A O no hydrogen 3.642 N/A CYS 213.A SG TRP 230.A O no hydrogen 3.518 N/A GLN 214.A N ALA 231.A O no hydrogen 2.769 N/A GLN 214.A NE2 MET 192.A O no hydrogen 2.880 N/A SER 215.A N ALA 231.A O no hydrogen 3.030 N/A SER 215.A OG.B PHE 190.A O no hydrogen 3.569 N/A SER 215.A OG.B THR 216.A O no hydrogen 2.976 N/A THR 216.A N PHE 190.A O no hydrogen 2.974 N/A THR 217.A N HIS 325.A ND1 no hydrogen 3.150 N/A THR 217.A OG1 GLY 234.A O no hydrogen 2.578 N/A LYS 218.A N GLY 234.A O no hydrogen 3.157 N/A LYS 218.A NZ GLN 235.A OE1 no hydrogen 3.161 N/A LYS 218.A NZ ASP 335.A OD1 no hydrogen 3.312 N/A LYS 218.A NZ ASP 335.A OD2 no hydrogen 3.070 N/A TYR 219.A N GLY 306.A O no hydrogen 2.821 N/A TYR 219.A OH TRP 304.A O no hydrogen 2.564 N/A LEU 221.A N ALA 323.A O no hydrogen 2.937 N/A GLU 223.A N PHE 310.A O no hydrogen 2.926 N/A ASP 228.A N ASN 226.A OD1 no hydrogen 2.785 N/A VAL 229.A N ASN 226.A O no hydrogen 2.859 N/A TRP 230.A N ALA 227.A O no hydrogen 2.982 N/A TRP 230.A NE1 LEU 222.A O no hydrogen 2.968 N/A ALA 231.A N ASP 228.A O no hydrogen 3.267 N/A GLY 234.A N ASP 232.A OD1 no hydrogen 3.057 N/A GLN 235.A NE2 THR 216.A O no hydrogen 2.861 N/A ASN 236.A N LYS 218.A O no hydrogen 3.101 N/A TRP 237.A N GLN 235.A O no hydrogen 2.812 N/A ARG 239.A N ASN 236.A OD1 no hydrogen 3.159 N/A ARG 239.A NE LEU 320.A O no hydrogen 2.942 N/A ARG 239.A NH1 ARG 239.A O no hydrogen 2.989 N/A ARG 239.A NH2 LEU 320.A O no hydrogen 2.977 N/A ALA 240.A N ASN 236.A O no hydrogen 3.146 N/A ASN 241.A N TRP 237.A O no hydrogen 2.875 N/A LEU 242.A N LEU 238.A O no hydrogen 3.087 N/A ALA 243.A N ARG 239.A O no hydrogen 3.129 N/A LEU 244.A N ALA 240.A O no hydrogen 2.937 N/A ASN 245.A N ASN 241.A O no hydrogen 3.172 N/A ASN 245.A N LEU 242.A O no hydrogen 3.166 N/A ASN 245.A ND2 LEU 158.A O no hydrogen 2.741 N/A ASN 245.A ND2 ASN 241.A O no hydrogen 2.835 N/A GLU 246.A N ALA 243.A O no hydrogen 3.015 N/A HIS 247.A ND1 PRO 248.A O no hydrogen 2.769 N/A TRP 249.A N PHE 476.A O no hydrogen 2.865 N/A GLN 251.A N PRO 248.A O no hydrogen 3.323 N/A GLN 251.A NE2 TYR 250.A OH no hydrogen 3.214 N/A ASN 252.A N TRP 249.A O no hydrogen 3.118 N/A ASN 252.A ND2 TRP 249.A O no hydrogen 3.661 N/A LEU 253.A N TYR 250.A O no hydrogen 2.956 N/A VAL 259.A N GLN 251.A OE1 no hydrogen 3.153 N/A THR 261.A N GLU 246.A O no hydrogen 2.905 N/A THR 261.A OG1 GLU 246.A O no hydrogen 3.414 N/A GLN 263.A N PRO 260.A O no hydrogen 3.059 N/A GLN 263.A NE2 ALA 149.A O no hydrogen 2.904 N/A ASP 264.A N PRO 260.A O no hydrogen 3.225 N/A MET 265.A N THR 261.A O no hydrogen 2.832 N/A THR 266.A N LEU 262.A O no hydrogen 2.997 N/A THR 266.A OG1 LEU 262.A O no hydrogen 2.860 N/A PHE 267.A N GLN 263.A O no hydrogen 2.850 N/A ARG 268.A N ASP 264.A O no hydrogen 2.857 N/A ARG 268.A NE ASP 264.A OD1 no hydrogen 2.795 N/A ARG 268.A NH1 ASP 437.A OD2 no hydrogen 2.931 N/A ARG 268.A NH2 TYR 430.A OH no hydrogen 3.122 N/A ARG 268.A NH2 ASP 437.A OD1 no hydrogen 2.730 N/A LEU 269.A N MET 265.A O no hydrogen 2.851 N/A LEU 270.A N THR 266.A O no hydrogen 3.076 N/A THR 271.A N PHE 267.A O no hydrogen 3.087 N/A THR 271.A OG1 PHE 267.A O no hydrogen 2.913 N/A THR 272.A N ARG 268.A O no hydrogen 3.043 N/A THR 272.A OG1 ARG 268.A O no hydrogen 2.791 N/A ASN 276.A N GLU 279.A OE1 no hydrogen 2.881 N/A TRP 277.A N ASN 362.A OD1 no hydrogen 2.997 N/A TRP 277.A NE1 TYR 97.A O no hydrogen 2.966 N/A GLY 278.A N ASP 363.A OD1 no hydrogen 2.924 N/A GLU 279.A N ASN 276.A O no hydrogen 3.190 N/A GLU 279.A N ASN 276.A OD1 no hydrogen 3.004 N/A PHE 280.A N ASN 276.A O no hydrogen 3.168 N/A SER 281.A N TRP 277.A O no hydrogen 2.843 N/A SER 281.A OG TRP 277.A O no hydrogen 2.772 N/A SER 282.A OG ASN 96.A O no hydrogen 3.230 N/A SER 282.A OG GLU 295.A OE1 no hydrogen 2.753 N/A THR 283.A N GLU 295.A OE1 no hydrogen 3.028 N/A THR 283.A OG1 ASN 95.A OD1 no hydrogen 2.665 N/A THR 283.A OG1 GLU 295.A OE1 no hydrogen 3.367 N/A ARG 284.A N SER 282.A OG no hydrogen 3.021 N/A ARG 284.A NE ASP 286.A OD2 no hydrogen 3.136 N/A ARG 284.A NH1 ASN 95.A O no hydrogen 2.928 N/A TYR 285.A N LEU 487.A O no hydrogen 2.944 N/A ASN 290.A N ALA 287.A O no hydrogen 2.911 N/A ASN 290.A ND2 GLU 279.A OE1 no hydrogen 3.463 N/A ASN 290.A ND2 GLU 279.A OE2 no hydrogen 3.202 N/A TRP 291.A N PRO 288.A O no hydrogen 3.077 N/A ASN 293.A ND2 TRP 291.A O no hydrogen 2.911 N/A ASN 293.A ND2 VAL 489.A O no hydrogen 2.991 N/A LEU 294.A N PHE 280.A O no hydrogen 2.958 N/A ALA 296.A N ASN 293.A OD1 no hydrogen 2.894 N/A ILE 297.A N ASN 293.A O no hydrogen 3.438 N/A HIS 298.A N LEU 294.A O no hydrogen 2.998 N/A HIS 298.A ND1 ASN 299.A OD1 no hydrogen 2.942 N/A ASN 299.A N GLU 295.A O no hydrogen 2.801 N/A ASN 300.A N ALA 296.A O no hydrogen 3.154 N/A ASN 300.A ND2 SER 479.A O no hydrogen 2.832 N/A VAL 301.A N ILE 297.A O no hydrogen 3.059 N/A HIS 302.A N HIS 298.A O no hydrogen 3.070 N/A HIS 302.A ND1 MET 326.A O no hydrogen 2.758 N/A HIS 302.A NE2 HIS 342.A NE2 no hydrogen 3.108 N/A ASN 303.A N ASN 299.A O no hydrogen 3.217 N/A ASN 303.A ND2 GLN 455.A OE1 no hydrogen 2.804 N/A TRP 304.A N ASN 300.A O no hydrogen 2.971 N/A VAL 305.A N VAL 301.A O no hydrogen 2.947 N/A GLY 306.A N HIS 302.A O no hydrogen 3.199 N/A GLY 307.A N ASN 303.A O no hydrogen 2.738 N/A PHE 310.A N SER 519.A O no hydrogen 2.859 N/A HIS 316.A NE2 PRO 313.A O no hydrogen 2.762 N/A LYS 319.A NZ HIS 316.A O no hydrogen 2.701 N/A GLY 322.A N MET 309.A O no hydrogen 2.734 N/A ALA 323.A N LEU 221.A O no hydrogen 2.885 N/A GLY 324.A N GLY 307.A O no hydrogen 2.899 N/A HIS 325.A N THR 217.A O no hydrogen 3.176 N/A SER 327.A N GLY 324.A O no hydrogen 3.230 N/A SER 327.A OG GLY 307.A O no hydrogen 2.772 N/A SER 327.A OG GLY 324.A O no hydrogen 3.142 N/A SER 328.A N HIS 325.A O no hydrogen 3.016 N/A VAL 331.A N SER 328.A O no hydrogen 3.132 N/A ALA 332.A N SER 328.A O no hydrogen 2.870 N/A TYR 334.A N VAL 331.A O no hydrogen 3.135 N/A TYR 334.A OH ALA 73.A O no hydrogen 2.669 N/A ASP 335.A N ALA 332.A O no hydrogen 3.125 N/A ILE 337.A N ASP 335.A OD1 no hydrogen 3.156 N/A PHE 338.A N ASP 335.A O no hydrogen 2.821 N/A TRP 339.A N PRO 336.A O no hydrogen 3.380 N/A TRP 339.A NE1 TYR 64.A OH no hydrogen 3.218 N/A HIS 341.A N ILE 337.A O no hydrogen 2.865 N/A HIS 342.A N PHE 338.A O no hydrogen 2.920 N/A HIS 342.A NE2 HIS 302.A NE2 no hydrogen 3.108 N/A CYS 343.A N TRP 339.A O no hydrogen 2.872 N/A CYS 343.A SG LEU 143.A O no hydrogen 3.450 N/A CYS 343.A SG PRO 144.A O no hydrogen 3.705 N/A ASN 344.A N LEU 340.A O no hydrogen 3.208 N/A ILE 345.A N HIS 341.A O no hydrogen 2.993 N/A ASP 346.A N HIS 342.A O no hydrogen 2.927 N/A ARG 347.A N CYS 343.A O no hydrogen 2.996 N/A ARG 347.A NH1 ASN 344.A OD1 no hydrogen 2.994 N/A ARG 347.A NH1 TYR 422.A OH no hydrogen 2.878 N/A ARG 347.A NH2 TYR 422.A OH no hydrogen 2.863 N/A LEU 348.A N ASN 344.A O no hydrogen 2.797 N/A THR 349.A N ILE 345.A O no hydrogen 3.032 N/A THR 349.A OG1 ILE 345.A O no hydrogen 2.912 N/A ALA 350.A N ASP 346.A O no hydrogen 2.954 N/A ILE 351.A N ARG 347.A O no hydrogen 2.867 N/A TRP 352.A N LEU 348.A O no hydrogen 2.870 N/A GLN 353.A N THR 349.A O no hydrogen 2.804 N/A GLN 353.A NE2 LYS 396.A O no hydrogen 2.754 N/A THR 354.A N ALA 350.A O no hydrogen 3.043 N/A THR 354.A OG1 ALA 350.A O no hydrogen 2.734 N/A VAL 355.A N ILE 351.A O no hydrogen 3.219 N/A ASN 356.A N GLN 353.A O no hydrogen 3.266 N/A ASN 356.A ND2 TRP 352.A O no hydrogen 2.853 N/A SER 359.A N ASN 356.A O no hydrogen 2.940 N/A SER 359.A OG LEU 275.A O no hydrogen 3.436 N/A TRP 360.A NE1 ASP 393.A OD1 no hydrogen 2.940 N/A SER 366.A N ASP 363.A OD2 no hydrogen 2.793 N/A SER 366.A OG ASP 363.A OD1 no hydrogen 2.574 N/A LYS 367.A N ASP 363.A O no hydrogen 3.127 N/A SER 369.A N SER 366.A O no hydrogen 3.055 N/A SER 369.A OG SER 366.A O no hydrogen 2.910 N/A LYS 370.A N LYS 367.A O no hydrogen 3.223 N/A LYS 370.A NZ ASP 371.A OD1 no hydrogen 3.150 N/A LYS 370.A NZ ASP 393.A OD2 no hydrogen 2.746 N/A ASP 372.A N SER 369.A O no hydrogen 3.101 N/A LEU 374.A N PHE 390.A O no hydrogen 2.873 N/A PHE 377.A N LEU 374.A O no hydrogen 3.243 N/A HIS 378.A ND1 ASP 79.A OD2 no hydrogen 2.652 N/A ARG 379.A N VAL 388.A O no hydrogen 2.880 N/A CYS 381.A N LYS 386.A O no hydrogen 2.892 N/A CYS 381.A SG THR 384.A OG1 no hydrogen 3.183 N/A ARG 385.A N CYS 381.A O no hydrogen 2.770 N/A VAL 388.A N ARG 379.A O no hydrogen 2.858 N/A PHE 390.A N PHE 377.A O no hydrogen 2.944 N/A ARG 391.A N ASP 394.A OD2 no hydrogen 2.724 N/A ARG 391.A NE ASP 373.A OD1 no hydrogen 2.934 N/A ARG 391.A NH2 ASP 373.A OD1 no hydrogen 3.178 N/A SER 392.A OG THR 101.A OG1 no hydrogen 2.746 N/A ASP 394.A N ARG 391.A O no hydrogen 2.865 N/A VAL 395.A N SER 392.A O no hydrogen 2.975 N/A LYS 396.A N ASP 393.A O no hydrogen 3.505 N/A TRP 398.A NE1 ASP 404.A OD1 no hydrogen 2.980 N/A ARG 399.A N ASP 397.A OD1 no hydrogen 3.085 N/A ARG 399.A NH1 ASP 397.A OD1 no hydrogen 3.011 N/A ARG 399.A NH2 THR 408.A O no hydrogen 3.415 N/A SER 400.A N ASP 397.A O no hydrogen 2.990 N/A SER 400.A OG ASP 394.A O no hydrogen 3.480 N/A SER 400.A OG ASP 397.A O no hydrogen 2.967 N/A LEU 401.A N TRP 398.A O no hydrogen 2.909 N/A ASN 402.A N ARG 399.A O no hydrogen 2.918 N/A ASN 402.A ND2 ILE 12.A O no hydrogen 2.869 N/A TYR 403.A OH ASP 346.A OD2 no hydrogen 2.750 N/A ASP 404.A N PRO 21.A O no hydrogen 3.126 N/A TYR 405.A N ASP 404.A OD1 no hydrogen 2.783 N/A TYR 405.A OH ASP 346.A OD2 no hydrogen 2.492 N/A THR 408.A N TYR 405.A O no hydrogen 3.138 N/A THR 408.A OG1 ASP 404.A OD1 no hydrogen 2.841 N/A THR 408.A OG1 TYR 405.A O no hydrogen 3.048 N/A LYS 409.A N ALA 406.A O no hydrogen 3.119 N/A LYS 409.A NZ LEU 20.A O no hydrogen 3.223 N/A LYS 409.A NZ ASP 404.A OD2 no hydrogen 3.143 N/A SER 412.A N ASP 410.A OD1 no hydrogen 3.097 N/A SER 412.A OG ASP 410.A OD1 no hydrogen 2.623 N/A ARG 413.A N ASP 410.A O no hydrogen 2.949 N/A ILE 414.A N ALA 411.A O no hydrogen 3.461 N/A LYS 416.A NZ ASP 420.A OD2 no hydrogen 2.718 N/A GLU 417.A N ARG 413.A O no hydrogen 3.115 N/A ILE 418.A N ILE 414.A O no hydrogen 2.899 N/A SER 419.A N ARG 415.A O no hydrogen 3.131 N/A SER 419.A OG GLN 424.A OE1.B no hydrogen 3.265 N/A ASP 420.A N LYS 416.A O no hydrogen 2.776 N/A LEU 421.A N GLU 417.A O no hydrogen 2.964 N/A TYR 422.A N ILE 418.A O no hydrogen 2.942 N/A TYR 422.A OH ASP 147.A OD1 no hydrogen 3.267 N/A TYR 422.A OH ASP 147.A OD2 no hydrogen 2.645 N/A GLY 423.A N SER 419.A O no hydrogen 2.887 N/A GLN 424.A NE2.A ASP 420.A O no hydrogen 2.478 N/A ARG 425.A NE SER 258.A O no hydrogen 2.812 N/A ARG 425.A NH1 GLU 428.A OE1 no hydrogen 3.065 N/A ARG 425.A NH2 SER 258.A O no hydrogen 3.071 N/A LYS 427.A N GLY 423.A O no hydrogen 2.993 N/A LYS 427.A NZ SER 419.A OG no hydrogen 2.904 N/A GLU 428.A N GLN 424.A O no hydrogen 2.929 N/A VAL 429.A N ARG 425.A O no hydrogen 2.968 N/A TYR 430.A N THR 426.A O no hydrogen 2.865 N/A TYR 430.A OH ASP 264.A OD2 no hydrogen 2.482 N/A LYS 431.A N LYS 427.A O no hydrogen 3.053 N/A LYS 431.A NZ GLU 428.A O no hydrogen 2.709 N/A LYS 431.A NZ ASP 432.A OD1 no hydrogen 3.569 N/A ASP 432.A N VAL 429.A O no hydrogen 3.324 N/A PHE 433.A N TYR 430.A O no hydrogen 3.034 N/A GLU 436.A N GLY 434.A O no hydrogen 2.840 N/A ASP 437.A N THR 536.A O no hydrogen 2.926 N/A TYR 438.A OH GLU 436.A OE2 no hydrogen 2.941 N/A ILE 439.A N HIS 534.A O no hydrogen 2.843 N/A LEU 440.A N LEU 492.A O no hydrogen 2.885 N/A SER 441.A N ALA 532.A O no hydrogen 2.842 N/A SER 441.A OG ALA 532.A O no hydrogen 3.422 N/A SER 441.A OG HIS 534.A NE2 no hydrogen 2.721 N/A ILE 442.A N SER 490.A O no hydrogen 3.015 N/A ARG 443.A N GLU 530.A O no hydrogen 2.990 N/A ARG 443.A NE GLU 530.A OE2 no hydrogen 2.901 N/A ARG 443.A NH2 GLU 530.A OE1 no hydrogen 2.794 N/A TYR 444.A N SER 488.A O no hydrogen 2.974 N/A TYR 447.A N SER 445.A OG no hydrogen 3.165 N/A ALA 448.A N SER 445.A O no hydrogen 3.186 N/A GLY 450.A N TYR 447.A O no hydrogen 2.995 N/A LYS 452.A N LEU 449.A O no hydrogen 3.167 N/A GLN 455.A N VAL 517.A O no hydrogen 2.922 N/A GLN 455.A NE2 ASN 457.A OD1 no hydrogen 2.798 N/A ILE 456.A N VAL 480.A O no hydrogen 2.871 N/A ASN 457.A N VAL 515.A O no hydrogen 2.943 N/A ASN 457.A ND2 PHE 468.A O no hydrogen 2.876 N/A ASN 457.A ND2 TYR 469.A O no hydrogen 3.170 N/A ILE 458.A N GLY 478.A O no hydrogen 2.828 N/A PHE 459.A N ARG 513.A O no hydrogen 2.691 N/A PHE 460.A N ASN 475.A O no hydrogen 3.049 N/A LYS 466.A N ASP 464.A OD1 no hydrogen 3.005 N/A ASP 467.A N ASP 464.A O no hydrogen 3.029 N/A TYR 469.A N SER 473.A OG no hydrogen 2.897 N/A TYR 469.A OH GLY 521.A O no hydrogen 2.624 N/A ASP 470.A N SER 473.A OG no hydrogen 3.088 N/A ARG 472.A N ASP 470.A OD1 no hydrogen 3.097 N/A SER 473.A N ASP 470.A O no hydrogen 2.823 N/A SER 473.A OG ASP 467.A OD1 no hydrogen 2.642 N/A SER 473.A OG ASP 470.A O no hydrogen 3.283 N/A SER 473.A OG ASP 470.A OD1 no hydrogen 3.379 N/A GLN 474.A NE2 ASP 462.A O no hydrogen 3.069 N/A ASN 475.A ND2 ASP 462.A O no hydrogen 2.887 N/A PHE 476.A N SER 473.A O no hydrogen 3.111 N/A VAL 477.A N ILE 458.A O no hydrogen 2.698 N/A GLY 478.A N ILE 458.A O no hydrogen 3.454 N/A SER 479.A OG GLU 246.A OE2 no hydrogen 2.619 N/A VAL 480.A N ILE 456.A O no hydrogen 2.928 N/A PHE 481.A N ASN 300.A OD1 no hydrogen 2.901 N/A ASN 482.A N PHE 454.A O no hydrogen 2.940 N/A ASN 482.A ND2 ARG 446.A O no hydrogen 3.013 N/A ASN 482.A ND2 LYS 452.A O no hydrogen 3.552 N/A SER 484.A OG GLY 451.A O no hydrogen 3.030 N/A LEU 487.A N TYR 285.A O no hydrogen 3.080 N/A SER 488.A N TYR 444.A O no hydrogen 2.821 N/A SER 488.A OG ASN 95.A OD1 no hydrogen 2.686 N/A VAL 489.A N THR 283.A O no hydrogen 2.744 N/A SER 490.A N ILE 442.A O no hydrogen 2.927 N/A GLN 491.A NE2 PRO 288.A O no hydrogen 2.773 N/A GLN 491.A NE2 LYS 289.A O no hydrogen 3.035 N/A LEU 492.A N LEU 440.A O no hydrogen 2.979 N/A ALA 494.A N TYR 438.A O no hydrogen 2.995 N/A ARG 495.A NH1 ARG 495.A O no hydrogen 2.987 N/A ARG 495.A NH2 GLY 434.A O no hydrogen 2.666 N/A VAL 498.A N ALA 494.A O no hydrogen 2.895 N/A HIS 499.A N ARG 495.A O no hydrogen 3.205 N/A TYR 500.A N LEU 496.A O no hydrogen 3.116 N/A TYR 501.A N ALA 497.A O no hydrogen 3.069 N/A LYS 502.A N VAL 498.A O no hydrogen 2.900 N/A LYS 503.A N HIS 499.A O no hydrogen 3.022 N/A GLN 504.A N TYR 500.A O no hydrogen 3.208 N/A GLN 504.A N TYR 501.A O no hydrogen 2.970 N/A ASN 505.A N LYS 502.A O no hydrogen 3.179 N/A ASN 505.A ND2 TYR 501.A O no hydrogen 2.905 N/A GLY 507.A N LYS 502.A O no hydrogen 2.844 N/A GLU 508.A N ASN 505.A O no hydrogen 3.014 N/A ARG 513.A N PHE 459.A O no hydrogen 2.820 N/A TYR 514.A N LYS 554.A O no hydrogen 3.205 N/A VAL 515.A N ASN 457.A O no hydrogen 3.014 N/A VAL 517.A N GLN 455.A O no hydrogen 2.759 N/A ASN 518.A N LYS 522.A O no hydrogen 2.898 N/A ASN 518.A ND2 GLU 524.A OE2 no hydrogen 2.903 N/A GLN 520.A N ASN 518.A OD1 no hydrogen 2.806 N/A GLY 521.A N ASN 518.A O no hydrogen 2.930 N/A LYS 522.A N ASN 518.A OD1 no hydrogen 3.029 N/A ALA 523.A N TYR 562.A O no hydrogen 2.821 N/A GLU 524.A N VAL 516.A O no hydrogen 2.784 N/A GLU 530.A N ARG 443.A O no hydrogen 2.938 N/A ALA 532.A N SER 441.A O no hydrogen 3.131 N/A LEU 533.A N ALA 551.A O no hydrogen 2.824 N/A HIS 534.A N ILE 439.A O no hydrogen 2.772 N/A HIS 534.A NE2 SER 441.A OG no hydrogen 2.721 N/A LYS 535.A N ARG 548.A O no hydrogen 2.839 N/A LYS 535.A NZ GLU 436.A OE1 no hydrogen 3.309 N/A LYS 535.A NZ TYR 438.A OH no hydrogen 3.137 N/A THR 536.A N ASP 437.A O no hydrogen 2.934 N/A THR 536.A OG1 GLU 537.A O no hydrogen 3.386 N/A THR 536.A OG1 ASP 546.A O no hydrogen 2.979 N/A GLY 538.A N GLU 435.A O no hydrogen 2.838 N/A THR 539.A OG1 ASP 542.A OD2 no hydrogen 2.821 N/A ASP 542.A N THR 539.A OG1 no hydrogen 3.212 N/A ALA 545.A N ASP 542.A O no hydrogen 3.085 N/A TYR 547.A OH ASP 437.A OD2 no hydrogen 2.465 N/A ARG 548.A N LYS 535.A O no hydrogen 2.815 N/A ARG 548.A NH1.A GLU 537.A OE1 no hydrogen 3.100 N/A ARG 548.A NH1.A GLU 537.A OE2 no hydrogen 2.649 N/A ARG 548.A NH2.A GLU 537.A OE2 no hydrogen 2.935 N/A ARG 549.A NH1 ASP 552.A OD1 no hydrogen 2.707 N/A VAL 550.A N LEU 533.A O no hydrogen 2.780 N/A ALA 551.A N LEU 533.A O no hydrogen 3.415 N/A GLY 553.A N VAL 531.A O no hydrogen 2.759 N/A LYS 554.A N PRO 512.A O no hydrogen 2.991 N/A ARG 555.A NH1.A VAL 527.A O no hydrogen 2.764 N/A ARG 555.A NH1.B GLU 557.A OE2 no hydrogen 2.979 N/A ARG 555.A NH2.A VAL 527.A O no hydrogen 2.789 N/A ALA 556.A N TYR 514.A O no hydrogen 2.871 N/A ASP 559.A N GLY 465.A O no hydrogen 2.907 N/A TYR 562.A N ASP 559.A O no hydrogen 2.781 N/A TYR 562.A OH HIS 316.A NE2 no hydrogen 3.146 N/A ARG 563.A N ASP 560.A O no hydrogen 3.294 N/A ARG 563.A NE VAL 558.A O no hydrogen 2.993 N/A ARG 563.A NH2 VAL 558.A O no hydrogen 2.957 N/A ALA 564.A N ALA 523.A O no hydrogen 2.811 N/A