Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vn4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N SER 1.A OG no hydrogen 3.110 N/A PHE 5.A N SER 1.A O no hydrogen 3.204 N/A ILE 6.A N VAL 2.A O no hydrogen 2.925 N/A SER 7.A N ASP 3.A O no hydrogen 2.978 N/A SER 7.A OG.B ASP 3.A O no hydrogen 3.536 N/A SER 7.A OG.B ASP 4.A O no hydrogen 2.987 N/A THR 8.A N ASP 4.A O no hydrogen 3.100 N/A THR 8.A OG1 ASP 4.A O no hydrogen 3.101 N/A GLU 9.A N PHE 5.A O no hydrogen 2.775 N/A THR 10.A N ILE 6.A O no hydrogen 3.056 N/A THR 10.A OG1 ILE 6.A O no hydrogen 2.586 N/A ALA 13.A N GLU 9.A O no hydrogen 2.787 N/A LEU 14.A N THR 10.A O no hydrogen 3.001 N/A ASN 15.A N PRO 11.A O no hydrogen 3.006 N/A ASN 15.A ND2 ASN 16.A OD1 no hydrogen 3.204 N/A ASN 16.A N ILE 12.A O no hydrogen 2.826 N/A ASN 16.A ND2 TYR 423.A OH no hydrogen 3.052 N/A LEU 17.A N ALA 13.A O no hydrogen 2.872 N/A LEU 18.A N LEU 14.A O no hydrogen 3.075 N/A CYS 19.A N ASN 15.A O no hydrogen 2.864 N/A CYS 19.A SG ASN 15.A O no hydrogen 3.383 N/A ASN 20.A N LEU 17.A O no hydrogen 3.049 N/A VAL 21.A N LEU 18.A O no hydrogen 3.189 N/A GLY 22.A N ALA 35.A O no hydrogen 2.754 N/A GLY 25.A N VAL 21.A O no hydrogen 2.960 N/A ARG 27.A N CYS 19.A O no hydrogen 2.846 N/A ARG 27.A NH1 ASN 16.A OD1 no hydrogen 3.189 N/A ALA 28.A N GLY 25.A O no hydrogen 3.054 N/A GLY 30.A N PRO 23.A O no hydrogen 2.847 N/A THR 31.A N ALA 28.A O no hydrogen 3.165 N/A THR 31.A OG1 ALA 28.A O no hydrogen 2.652 N/A SER 32.A N LEU 111.A O no hydrogen 3.298 N/A SER 32.A OG LEU 111.A O no hydrogen 2.736 N/A GLY 34.A N GLY 22.A O no hydrogen 3.183 N/A ALA 35.A N SER 32.A O no hydrogen 3.033 N/A ILE 37.A N ASN 20.A O no hydrogen 3.020 N/A ALA 38.A N TYR 49.A O no hydrogen 3.146 N/A SER 39.A OG LEU 417.A O no hydrogen 2.576 N/A SER 41.A N SER 39.A OG no hydrogen 3.025 N/A SER 41.A OG.A PRO 45.A O no hydrogen 2.582 N/A SER 41.A OG.B SER 39.A OG no hydrogen 3.333 N/A TYR 47.A N SER 41.A O no hydrogen 2.938 N/A TYR 47.A OH TYR 315.A OH no hydrogen 2.686 N/A TYR 47.A OH GLU 404.A OE1 no hydrogen 3.350 N/A TYR 47.A OH GLU 404.A OE2 no hydrogen 2.436 N/A TYR 48.A N ASP 46.A OD1 no hydrogen 3.282 N/A TYR 49.A N TYR 47.A O no hydrogen 2.795 N/A TYR 49.A OH ASP 46.A OD2 no hydrogen 2.740 N/A MET 50.A N PHE 109.A O no hydrogen 2.953 N/A TRP 51.A NE1 GLU 179.A OE1 no hydrogen 2.903 N/A THR 52.A N PRO 107.A O no hydrogen 3.041 N/A ARG 53.A NH1 ASP 126.A OD2 no hydrogen 2.891 N/A SER 55.A N TRP 51.A O no hydrogen 3.113 N/A SER 55.A OG TRP 51.A O no hydrogen 2.695 N/A ALA 56.A N THR 52.A O no hydrogen 3.026 N/A LEU 57.A N ARG 53.A O no hydrogen 2.944 N/A VAL 58.A N ASP 54.A O no hydrogen 2.977 N/A PHE 59.A N SER 55.A O no hydrogen 2.906 N/A LYS 60.A N ALA 56.A O no hydrogen 2.912 N/A LYS 60.A NZ ASP 64.A OD1 no hydrogen 3.167 N/A LYS 60.A NZ ASP 64.A OD2 no hydrogen 2.687 N/A ASN 61.A N LEU 57.A O no hydrogen 3.253 N/A LEU 62.A N VAL 58.A O no hydrogen 3.072 N/A ILE 63.A N PHE 59.A O no hydrogen 2.766 N/A ASP 64.A N LYS 60.A O no hydrogen 2.892 N/A ARG 65.A N.A ASN 61.A O no hydrogen 2.974 N/A ARG 65.A N.B ASN 61.A O no hydrogen 2.996 N/A PHE 66.A N LEU 62.A O no hydrogen 2.830 N/A THR 67.A N ILE 63.A O no hydrogen 2.858 N/A THR 67.A OG1 ILE 63.A O no hydrogen 2.850 N/A GLU 68.A N ASP 64.A O no hydrogen 3.232 N/A GLU 68.A N ARG 65.A O.A no hydrogen 3.012 N/A THR 69.A N ARG 65.A O.A no hydrogen 3.140 N/A THR 69.A N ARG 65.A O.B no hydrogen 3.218 N/A TYR 70.A N PRO 481.A O no hydrogen 3.090 N/A LEU 74.A N ASP 71.A OD1 no hydrogen 3.149 N/A GLN 75.A N ASP 71.A O no hydrogen 2.954 N/A ARG 76.A N ALA 72.A O no hydrogen 3.053 N/A ARG 76.A NH1 ASP 24.A OD1 no hydrogen 2.955 N/A ARG 76.A NH1 GLN 80.A OE1 no hydrogen 3.460 N/A ARG 76.A NH2 ASP 24.A OD2 no hydrogen 2.754 N/A ARG 77.A NH1 GLY 73.A O no hydrogen 2.875 N/A ILE 78.A N LEU 74.A O no hydrogen 2.863 N/A GLU 79.A N GLN 75.A O no hydrogen 2.919 N/A GLN 80.A N ARG 76.A O no hydrogen 3.098 N/A TYR 81.A N ARG 77.A O no hydrogen 2.907 N/A ILE 82.A N ILE 78.A O no hydrogen 3.015 N/A THR 83.A N GLU 79.A O no hydrogen 2.995 N/A THR 83.A OG1 GLU 79.A O no hydrogen 3.176 N/A THR 83.A OG1 GLN 80.A O no hydrogen 3.222 N/A ALA 84.A N GLN 80.A O no hydrogen 2.915 N/A GLN 85.A N ILE 82.A O no hydrogen 3.052 N/A VAL 86.A N THR 83.A O no hydrogen 3.047 N/A LEU 88.A N ALA 84.A O no hydrogen 3.128 N/A GLN 89.A N GLN 85.A O no hydrogen 2.878 N/A GLN 89.A NE2 ILE 158.A O no hydrogen 3.080 N/A GLN 89.A NE2 ASP 162.A OD1 no hydrogen 3.445 N/A GLY 90.A N VAL 86.A O no hydrogen 3.438 N/A LEU 91.A N LEU 88.A O no hydrogen 3.174 N/A ASN 93.A N GLY 96.A O no hydrogen 2.879 N/A ASN 93.A ND2 GLY 103.A O no hydrogen 3.011 N/A SER 95.A N ASN 93.A OD1 no hydrogen 2.856 N/A SER 95.A OG GLU 106.A OE1 no hydrogen 2.663 N/A GLY 96.A N ASN 93.A O no hydrogen 2.818 N/A GLY 101.A N LEU 98.A O no hydrogen 2.884 N/A SER 102.A N ASP 100.A OD1 no hydrogen 3.114 N/A SER 102.A OG SER 95.A O no hydrogen 3.481 N/A SER 102.A OG ASP 100.A OD1 no hydrogen 2.747 N/A GLY 103.A N SER 97.A O no hydrogen 2.938 N/A LEU 104.A N GLY 101.A O no hydrogen 3.070 N/A GLY 105.A N SER 102.A O no hydrogen 3.256 N/A GLU 106.A N GLY 103.A O no hydrogen 3.291 N/A PHE 109.A N MET 50.A O no hydrogen 2.856 N/A GLU 110.A N LYS 114.A O no hydrogen 2.873 N/A LEU 113.A N GLU 110.A O no hydrogen 2.807 N/A THR 117.A OG1 ASN 541.A O no hydrogen 2.574 N/A TRP 120.A NE1 GLU 179.A OE1 no hydrogen 2.757 N/A ARG 122.A NE GLU 106.A OE1 no hydrogen 2.817 N/A ARG 122.A NE GLU 106.A OE2 no hydrogen 3.408 N/A ARG 122.A NH1 GLY 118.A O no hydrogen 2.854 N/A ARG 122.A NH2 GLU 106.A OE2 no hydrogen 2.875 N/A ARG 122.A NH2 GLY 118.A O no hydrogen 3.178 N/A GLN 124.A N GLY 105.A O no hydrogen 2.888 N/A ARG 125.A NE THR 173.A O no hydrogen 3.008 N/A ARG 125.A NH1 TYR 165.A OH no hydrogen 2.980 N/A ARG 125.A NH2 THR 173.A O no hydrogen 3.075 N/A LEU 130.A N ASP 126.A O no hydrogen 2.962 N/A ARG 131.A N GLY 127.A O no hydrogen 2.932 N/A ARG 131.A NE ASP 162.A OD1 no hydrogen 3.455 N/A ARG 131.A NE ASP 162.A OD2 no hydrogen 2.691 N/A ARG 131.A NH2 ASP 162.A OD1 no hydrogen 2.807 N/A ALA 132.A N PRO 128.A O no hydrogen 2.988 N/A ILE 133.A N ALA 129.A O no hydrogen 2.995 N/A ALA 134.A N LEU 130.A O no hydrogen 3.085 N/A LEU 135.A N ARG 131.A O no hydrogen 3.013 N/A ILE 136.A N ALA 132.A O no hydrogen 2.761 N/A GLY 137.A N ILE 133.A O no hydrogen 2.945 N/A TYR 138.A N ALA 134.A O no hydrogen 3.077 N/A TYR 138.A OH GLN 75.A OE1 no hydrogen 2.981 N/A SER 139.A N LEU 135.A O no hydrogen 2.918 N/A SER 139.A OG LEU 135.A O no hydrogen 2.867 N/A LYS 140.A N ILE 136.A O no hydrogen 2.925 N/A LYS 140.A NZ GLU 198.A OE1 no hydrogen 2.810 N/A LYS 140.A NZ SER 440.A O no hydrogen 2.948 N/A LEU 142.A N TYR 138.A O no hydrogen 3.031 N/A ILE 143.A N SER 139.A O no hydrogen 2.872 N/A ASN 144.A N.A LYS 140.A O no hydrogen 3.014 N/A ASN 145.A N TRP 141.A O no hydrogen 3.076 N/A ASN 145.A N LEU 142.A O no hydrogen 3.091 N/A ASN 145.A ND2 TRP 141.A O no hydrogen 2.905 N/A ASN 146.A N ILE 143.A O no hydrogen 3.150 N/A TYR 147.A N LEU 142.A O no hydrogen 2.837 N/A TYR 147.A OH THR 475.A O no hydrogen 2.640 N/A THR 150.A N TYR 147.A O no hydrogen 3.073 N/A SER 152.A N GLN 148.A O no hydrogen 3.066 N/A SER 152.A OG.A SER 149.A O no hydrogen 2.552 N/A ASN 153.A N SER 149.A O no hydrogen 2.936 N/A VAL 154.A N THR 150.A O no hydrogen 2.825 N/A ILE 155.A N VAL 151.A O no hydrogen 3.096 N/A TRP 156.A N VAL 151.A O no hydrogen 2.847 N/A ILE 158.A N ILE 155.A O no hydrogen 2.921 N/A VAL 159.A N ILE 155.A O no hydrogen 3.039 N/A ARG 160.A N TRP 156.A O no hydrogen 2.691 N/A ASN 161.A N PRO 157.A O no hydrogen 3.410 N/A ASN 161.A ND2 GLN 89.A OE1 no hydrogen 3.074 N/A ASN 161.A ND2 SER 463.A O no hydrogen 2.850 N/A ASP 162.A N ILE 158.A O no hydrogen 3.346 N/A LEU 163.A N VAL 159.A O no hydrogen 2.866 N/A ASN 164.A N ARG 160.A O no hydrogen 2.962 N/A ASN 164.A ND2 SER 461.A O no hydrogen 2.878 N/A TYR 165.A N ASN 161.A O no hydrogen 3.018 N/A VAL 166.A N ASP 162.A O no hydrogen 3.106 N/A ALA 167.A N LEU 163.A O no hydrogen 2.982 N/A GLN 168.A N ASN 164.A O no hydrogen 2.960 N/A TYR 169.A N TYR 165.A O no hydrogen 2.796 N/A TYR 169.A OH ASP 100.A O no hydrogen 2.598 N/A TRP 170.A N VAL 166.A O no hydrogen 3.096 N/A TRP 170.A NE1 ALA 456.A O no hydrogen 2.828 N/A GLN 172.A N.A TYR 169.A O no hydrogen 3.186 N/A GLY 174.A N GLY 183.A O no hydrogen 2.939 N/A PHE 175.A N PRO 123.A O no hydrogen 2.934 N/A ASP 176.A N VAL 181.A O no hydrogen 3.106 N/A TRP 178.A N ASP 176.A OD2 no hydrogen 3.373 N/A TRP 178.A NE1 ASP 249.A OD1 no hydrogen 2.924 N/A GLU 179.A N ASP 176.A O no hydrogen 2.878 N/A GLU 180.A N ASP 176.A OD1 no hydrogen 2.934 N/A VAL 181.A N ASP 176.A OD1 no hydrogen 2.791 N/A GLY 183.A N GLY 174.A O no hydrogen 2.821 N/A SER 184.A N ILE 239.A O no hydrogen 2.905 N/A SER 185.A OG ASN 238.A OD1 no hydrogen 2.764 N/A PHE 186.A N SER 237.A O no hydrogen 2.862 N/A PHE 187.A N ASN 251.A OD1 no hydrogen 2.984 N/A VAL 189.A N SER 185.A O no hydrogen 2.977 N/A ALA 190.A N PHE 186.A O no hydrogen 2.930 N/A ASN 191.A N PHE 187.A O no hydrogen 3.177 N/A ASN 191.A ND2 PHE 187.A O no hydrogen 2.767 N/A GLN 192.A N THR 188.A O no hydrogen 2.910 N/A GLN 192.A NE2 ARG 125.A O no hydrogen 2.986 N/A HIS 193.A N VAL 189.A O no hydrogen 2.882 N/A ARG 194.A N ALA 190.A O no hydrogen 3.079 N/A ARG 194.A NE GLU 198.A OE2 no hydrogen 2.706 N/A ARG 194.A NH1 HIS 258.A O no hydrogen 2.976 N/A ARG 194.A NH2 GLU 198.A OE2 no hydrogen 2.921 N/A ALA 195.A N ASN 191.A O no hydrogen 2.920 N/A LEU 196.A N GLN 192.A O no hydrogen 3.121 N/A VAL 197.A N HIS 193.A O no hydrogen 3.168 N/A GLU 198.A N ARG 194.A O no hydrogen 2.993 N/A GLY 199.A N ALA 195.A O no hydrogen 2.832 N/A ALA 200.A N LEU 196.A O no hydrogen 2.977 N/A THR 201.A N VAL 197.A O no hydrogen 3.187 N/A THR 201.A OG1 VAL 197.A O no hydrogen 3.150 N/A LEU 202.A N GLU 198.A O no hydrogen 2.892 N/A ALA 203.A N GLY 199.A O no hydrogen 2.840 N/A ALA 204.A N ALA 200.A O no hydrogen 3.050 N/A THR 205.A N THR 201.A O no hydrogen 3.134 N/A THR 205.A OG1 THR 201.A O no hydrogen 3.160 N/A LEU 206.A N LEU 202.A O no hydrogen 2.942 N/A GLY 207.A N ALA 204.A O no hydrogen 3.291 N/A GLN 208.A N ALA 203.A O no hydrogen 2.857 N/A TYR 213.A N GLY 210.A O no hydrogen 3.071 N/A TYR 213.A OH ASN 164.A OD1 no hydrogen 2.677 N/A SER 214.A N GLY 210.A O no hydrogen 3.169 N/A SER 214.A OG GLY 210.A O no hydrogen 3.504 N/A SER 214.A OG SER 211.A O no hydrogen 3.194 N/A SER 215.A N SER 211.A O no hydrogen 2.920 N/A SER 215.A OG SER 211.A O no hydrogen 3.238 N/A SER 215.A OG ALA 212.A O no hydrogen 3.194 N/A VAL 216.A N ALA 212.A O no hydrogen 3.156 N/A ALA 217.A N TYR 213.A O no hydrogen 3.052 N/A GLN 219.A N VAL 216.A O no hydrogen 2.927 N/A VAL 220.A N VAL 216.A O no hydrogen 3.269 N/A LEU 221.A N ALA 217.A O no hydrogen 2.991 N/A CYS 222.A N.A PRO 218.A O no hydrogen 2.921 N/A CYS 222.A N.B PRO 218.A O no hydrogen 2.964 N/A CYS 222.A SG.A PRO 450.A O no hydrogen 3.962 N/A PHE 223.A N GLN 219.A O no hydrogen 3.117 N/A LEU 224.A N VAL 220.A O no hydrogen 3.048 N/A GLN 225.A N CYS 222.A O.A no hydrogen 3.324 N/A GLN 225.A N CYS 222.A O.B no hydrogen 3.224 N/A GLN 225.A NE2 LEU 221.A O no hydrogen 2.941 N/A GLN 225.A NE2 GLY 269.A O no hydrogen 2.951 N/A ARG 226.A N PHE 223.A O no hydrogen 3.003 N/A PHE 227.A N LEU 224.A O no hydrogen 3.401 N/A VAL 229.A N TYR 234.A O no hydrogen 2.846 N/A GLY 233.A N VAL 229.A O no hydrogen 2.830 N/A TYR 234.A OH THR 246.A O no hydrogen 3.369 N/A VAL 235.A N ASN 281.A OD1 no hydrogen 2.863 N/A ASP 236.A N PHE 227.A O no hydrogen 2.821 N/A SER 237.A N GLY 247.A O no hydrogen 2.969 N/A SER 237.A OG GLY 247.A O no hydrogen 2.906 N/A ILE 239.A N SER 184.A O no hydrogen 2.888 N/A ASN 240.A ND2 SER 184.A OG no hydrogen 2.816 N/A THR 241.A OG1 ASN 182.A O no hydrogen 3.507 N/A ARG 245.A NH2 GLU 180.A OE1 no hydrogen 3.375 N/A THR 246.A N GLU 312.A OE2 no hydrogen 3.006 N/A LYS 248.A N THR 246.A OG1 no hydrogen 3.060 N/A VAL 250.A N ARG 309.A O no hydrogen 2.795 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 2.842 N/A ASN 251.A ND2 SER 185.A OG no hydrogen 2.888 N/A SER 252.A N ASP 249.A O no hydrogen 3.073 N/A SER 252.A OG ASP 249.A O no hydrogen 2.878 N/A LEU 254.A N VAL 250.A O no hydrogen 2.825 N/A THR 255.A N ASN 251.A O no hydrogen 2.960 N/A THR 255.A OG1 ASN 251.A O no hydrogen 2.767 N/A THR 255.A OG1 ASN 251.A OD1 no hydrogen 3.546 N/A SER 256.A N SER 252.A O no hydrogen 3.149 N/A SER 256.A OG PHE 271.A O.A no hydrogen 2.943 N/A SER 256.A OG PHE 271.A O.B no hydrogen 2.947 N/A ILE 257.A N VAL 253.A O no hydrogen 3.149 N/A HIS 258.A N LEU 254.A O no hydrogen 2.971 N/A THR 259.A N THR 255.A O no hydrogen 3.068 N/A THR 259.A OG1 THR 255.A O no hydrogen 2.939 N/A ASP 261.A N GLN 272.A OE1 no hydrogen 2.842 N/A ASN 263.A N ASP 261.A OD1 no hydrogen 3.000 N/A LEU 264.A N ASP 261.A O no hydrogen 2.892 N/A GLY 265.A N PRO 262.A O no hydrogen 2.907 N/A CYS 266.A SG CYS 274.A O no hydrogen 3.589 N/A ASP 267.A N LEU 264.A O no hydrogen 3.267 N/A GLY 269.A N ASP 267.A OD1 no hydrogen 3.005 N/A THR 270.A N ASP 267.A OD2 no hydrogen 2.962 N/A THR 270.A OG1 ASP 267.A OD2 no hydrogen 2.620 N/A PHE 271.A N.A ALA 268.A O no hydrogen 3.082 N/A PHE 271.A N.B ALA 268.A O no hydrogen 3.062 N/A GLN 272.A N ASP 267.A O no hydrogen 3.042 N/A GLN 272.A NE2 THR 259.A O no hydrogen 3.190 N/A GLN 272.A NE2 THR 270.A OG1 no hydrogen 3.135 N/A SER 275.A N GLN 272.A O no hydrogen 2.838 N/A SER 275.A OG GLN 272.A O no hydrogen 2.731 N/A ALA 278.A N SER 275.A OG no hydrogen 3.140 N/A LEU 279.A N SER 275.A O no hydrogen 2.978 N/A SER 280.A N ASP 276.A O no hydrogen 2.937 N/A SER 280.A OG GLY 233.A O no hydrogen 2.587 N/A SER 280.A OG THR 350.A O no hydrogen 3.520 N/A ASN 281.A N LYS 277.A O no hydrogen 2.988 N/A ASN 281.A ND2 SER 252.A OG no hydrogen 2.741 N/A LEU 282.A N ALA 278.A O no hydrogen 2.920 N/A LYS 283.A N LEU 279.A O no hydrogen 3.183 N/A LYS 283.A NZ ASP 287.A OD2 no hydrogen 2.744 N/A LYS 283.A NZ GLU 357.A OE1 no hydrogen 2.953 N/A VAL 284.A N SER 280.A O no hydrogen 3.067 N/A VAL 285.A N ASN 281.A O no hydrogen 2.824 N/A VAL 286.A N LEU 282.A O no hydrogen 2.857 N/A ASP 287.A N LYS 283.A O no hydrogen 2.876 N/A SER 288.A N VAL 284.A O no hydrogen 3.221 N/A SER 288.A N VAL 285.A O no hydrogen 3.088 N/A SER 288.A OG VAL 285.A O no hydrogen 2.726 N/A PHE 289.A N VAL 286.A O no hydrogen 2.985 N/A ARG 290.A N ASP 287.A O no hydrogen 3.297 N/A ARG 290.A NE ASP 287.A OD1 no hydrogen 3.096 N/A ARG 290.A NH1 ALA 303.A O no hydrogen 3.000 N/A ARG 290.A NH2 ALA 303.A O no hydrogen 3.013 N/A ILE 292.A N PHE 289.A O no hydrogen 3.477 N/A VAL 295.A N ARG 408.A O no hydrogen 2.857 N/A ASN 296.A N TYR 293.A O no hydrogen 2.911 N/A ASN 296.A ND2 PHE 289.A O no hydrogen 3.255 N/A ASN 296.A ND2 ALA 306.A O no hydrogen 2.905 N/A LYS 297.A N GLY 294.A O no hydrogen 3.125 N/A ILE 299.A N ASN 296.A O no hydrogen 3.130 N/A GLY 302.A N GLU 357.A OE2 no hydrogen 2.812 N/A ALA 303.A N PRO 300.A O no hydrogen 3.325 N/A ALA 306.A N ASN 296.A OD1 no hydrogen 2.989 N/A ILE 307.A N THR 325.A OG1 no hydrogen 3.036 N/A ARG 309.A NE ASP 313.A OD2 no hydrogen 2.944 N/A ARG 309.A NH2 GLU 180.A OE2 no hydrogen 3.029 N/A ARG 309.A NH2 ASP 313.A OD1 no hydrogen 2.918 N/A ARG 309.A NH2 ASP 313.A OD2 no hydrogen 3.282 N/A TYR 310.A OH GLU 180.A OE1 no hydrogen 2.491 N/A GLU 312.A N GLU 312.A OE1 no hydrogen 2.828 N/A ASP 313.A N TYR 310.A O no hydrogen 3.080 N/A TYR 315.A N ASP 313.A OD1 no hydrogen 2.975 N/A TYR 315.A OH TYR 47.A OH no hydrogen 2.686 N/A TYR 316.A OH ASP 44.A OD1.A no hydrogen 2.749 N/A ASN 317.A N VAL 314.A O no hydrogen 2.952 N/A GLY 318.A N TYR 315.A O no hydrogen 2.939 N/A ASN 319.A ND2 TYR 316.A O no hydrogen 2.810 N/A ASN 319.A ND2 GLN 405.A OE1 no hydrogen 2.900 N/A TRP 321.A N ILE 307.A O no hydrogen 3.058 N/A TYR 322.A OH TYR 395.A O no hydrogen 2.667 N/A ALA 324.A N TRP 321.A O no hydrogen 3.222 N/A THR 325.A N TRP 321.A O no hydrogen 3.112 N/A THR 325.A OG1 ILE 307.A O no hydrogen 3.160 N/A THR 325.A OG1 TRP 321.A O no hydrogen 3.294 N/A PHE 326.A N TYR 322.A O no hydrogen 2.837 N/A ALA 327.A N LEU 323.A O no hydrogen 3.005 N/A ALA 328.A N ALA 324.A O no hydrogen 3.340 N/A GLU 330.A N PHE 326.A O no hydrogen 2.915 N/A GLN 331.A N ALA 327.A O no hydrogen 2.920 N/A GLN 331.A NE2 PRO 273.A O no hydrogen 3.200 N/A GLN 331.A NE2 ALA 278.A O no hydrogen 3.132 N/A LEU 332.A N ALA 328.A O no hydrogen 3.326 N/A TYR 333.A N ALA 329.A O no hydrogen 2.911 N/A TYR 333.A OH ASP 386.A OD1 no hydrogen 2.651 N/A ASP 334.A N GLU 330.A O no hydrogen 2.931 N/A ALA 335.A N GLN 331.A O no hydrogen 2.970 N/A ILE 336.A N LEU 332.A O no hydrogen 2.905 N/A TYR 337.A N TYR 333.A O no hydrogen 2.982 N/A VAL 338.A N ASP 334.A O no hydrogen 3.283 N/A TRP 339.A N ALA 335.A O no hydrogen 2.959 N/A LYS 340.A N ILE 336.A O no hydrogen 2.987 N/A LYS 341.A N TYR 337.A O no hydrogen 3.027 N/A LYS 341.A NZ PRO 262.A O no hydrogen 3.550 N/A THR 342.A N VAL 338.A O no hydrogen 2.947 N/A THR 342.A OG1 VAL 338.A O no hydrogen 2.933 N/A THR 342.A OG1 TRP 339.A O no hydrogen 3.562 N/A THR 342.A OG1 SER 344.A O no hydrogen 3.487 N/A GLY 343.A N TRP 339.A O no hydrogen 2.831 N/A SER 344.A N TRP 339.A O no hydrogen 3.339 N/A ILE 345.A N TYR 367.A O no hydrogen 2.838 N/A THR 346.A OG1 THR 366.A OG1 no hydrogen 2.980 N/A VAL 347.A N GLY 365.A O no hydrogen 2.802 N/A THR 348.A N SER 351.A OG no hydrogen 3.270 N/A THR 348.A OG1 ASP 276.A OD2 no hydrogen 2.773 N/A THR 350.A N THR 348.A OG1 no hydrogen 3.128 N/A SER 351.A N THR 348.A OG1 no hydrogen 3.365 N/A PHE 355.A N SER 351.A O no hydrogen 3.135 N/A GLN 356.A N LEU 352.A O no hydrogen 2.850 N/A GLN 356.A NE2 VAL 362.A O no hydrogen 2.990 N/A GLU 357.A N ALA 353.A O no hydrogen 3.208 N/A LEU 358.A N PHE 355.A O no hydrogen 3.007 N/A VAL 359.A N PHE 355.A O no hydrogen 2.762 N/A VAL 362.A N VAL 359.A O no hydrogen 3.189 N/A THR 363.A OG1 ALA 364.A O no hydrogen 3.408 N/A GLY 365.A N VAL 347.A O no hydrogen 2.895 N/A THR 366.A OG1 THR 346.A OG1 no hydrogen 2.980 N/A TYR 367.A N ILE 345.A O no hydrogen 2.761 N/A TYR 367.A OH THR 363.A O no hydrogen 2.720 N/A SER 368.A OG SER 370.A OG.A no hydrogen 3.053 N/A SER 369.A N GLY 343.A O no hydrogen 2.807 N/A SER 370.A OG.A SER 368.A OG no hydrogen 3.053 N/A SER 371.A N SER 368.A O no hydrogen 2.960 N/A SER 371.A OG SER 368.A O no hydrogen 2.869 N/A PHE 374.A N SER 371.A OG no hydrogen 3.012 N/A THR 375.A N SER 371.A O no hydrogen 3.516 N/A ASN 376.A N.A SER 372.A O no hydrogen 2.946 N/A ASN 376.A N.B SER 372.A O no hydrogen 2.973 N/A ILE 377.A N THR 373.A O no hydrogen 2.895 N/A ILE 378.A N PHE 374.A O no hydrogen 2.925 N/A ASN 379.A N THR 375.A O no hydrogen 3.003 N/A ALA 380.A N ASN 376.A O.A no hydrogen 2.926 N/A ALA 380.A N ASN 376.A O.B no hydrogen 2.978 N/A VAL 381.A N ILE 377.A O no hydrogen 2.827 N/A SER 382.A N ILE 378.A O no hydrogen 2.869 N/A SER 382.A OG ILE 378.A O no hydrogen 2.785 N/A THR 383.A N ASN 379.A O no hydrogen 2.950 N/A THR 383.A OG1 ASN 379.A O no hydrogen 3.034 N/A TYR 384.A N ALA 380.A O no hydrogen 3.032 N/A ALA 385.A N VAL 381.A O no hydrogen 2.835 N/A ASP 386.A N SER 382.A O no hydrogen 2.971 N/A GLY 387.A N THR 383.A O no hydrogen 2.921 N/A PHE 388.A N TYR 384.A O no hydrogen 3.217 N/A LEU 389.A N ALA 385.A O no hydrogen 3.406 N/A SER 390.A N ASP 386.A O no hydrogen 2.900 N/A SER 390.A OG.A ASP 386.A O no hydrogen 2.821 N/A SER 390.A OG.A GLY 387.A O no hydrogen 2.950 N/A SER 390.A OG.B ASP 386.A O no hydrogen 3.123 N/A GLU 391.A N GLY 387.A O no hydrogen 2.929 N/A ALA 392.A N PHE 388.A O no hydrogen 3.119 N/A ALA 393.A N LEU 389.A O no hydrogen 2.902 N/A LYS 394.A N SER 390.A O no hydrogen 3.142 N/A LYS 394.A NZ GLU 391.A OE1.A no hydrogen 3.315 N/A LYS 394.A NZ GLU 391.A OE1.B no hydrogen 2.870 N/A LYS 394.A NZ GLU 391.A OE2.B no hydrogen 3.015 N/A TYR 395.A N ALA 392.A O no hydrogen 2.909 N/A VAL 396.A N ALA 393.A O no hydrogen 3.281 N/A GLY 400.A N PRO 397.A O no hydrogen 2.951 N/A SER 401.A N ASP 399.A OD1 no hydrogen 3.036 N/A SER 401.A OG ASP 399.A OD1 no hydrogen 2.698 N/A SER 401.A OG ASP 399.A OD2 no hydrogen 3.564 N/A LEU 402.A N TYR 423.A OH no hydrogen 2.987 N/A GLU 404.A N ALA 416.A O no hydrogen 2.940 N/A GLN 405.A N LEU 414.A O no hydrogen 3.302 N/A GLN 405.A NE2 GLU 404.A OE1 no hydrogen 2.819 N/A PHE 406.A N PRO 320.A O no hydrogen 3.090 N/A ASP 407.A N THR 412.A O no hydrogen 2.801 N/A ARG 408.A N ASN 319.A OD1 no hydrogen 2.888 N/A ARG 408.A NH1 ASN 317.A O no hydrogen 3.052 N/A ARG 408.A NH1 GLY 318.A O no hydrogen 2.853 N/A ARG 408.A NH2 ILE 292.A O no hydrogen 2.940 N/A ASN 409.A N ASP 407.A OD1 no hydrogen 2.854 N/A SER 410.A N ASP 407.A OD1 no hydrogen 3.021 N/A SER 410.A OG THR 412.A OG1.A no hydrogen 3.406 N/A GLY 411.A N ASP 407.A O no hydrogen 2.885 N/A THR 412.A OG1.A SER 410.A OG no hydrogen 3.406 N/A LEU 414.A N GLN 405.A O no hydrogen 2.948 N/A SER 415.A OG GLU 404.A OE1 no hydrogen 2.726 N/A LEU 417.A N SER 41.A OG.B no hydrogen 3.020 N/A HIS 418.A ND1 TYR 423.A OH no hydrogen 2.478 N/A LEU 419.A N LEU 402.A O no hydrogen 3.123 N/A THR 420.A N ALA 38.A O no hydrogen 3.010 N/A THR 420.A OG1 ASN 20.A OD1 no hydrogen 2.840 N/A THR 420.A OG1 ILE 37.A O no hydrogen 2.580 N/A THR 420.A OG1 ALA 38.A O no hydrogen 3.176 N/A SER 422.A OG ALA 403.A O no hydrogen 2.772 N/A TYR 423.A N LEU 419.A O no hydrogen 3.344 N/A TYR 423.A OH HIS 418.A ND1 no hydrogen 2.478 N/A ALA 424.A N THR 420.A O no hydrogen 3.064 N/A SER 425.A N TRP 421.A O no hydrogen 2.899 N/A SER 425.A OG TRP 421.A O no hydrogen 3.382 N/A SER 425.A OG SER 422.A O no hydrogen 2.728 N/A PHE 426.A N SER 422.A O no hydrogen 3.115 N/A LEU 427.A N TYR 423.A O no hydrogen 3.057 N/A THR 428.A N ALA 424.A O no hydrogen 2.893 N/A THR 428.A OG1 GLU 330.A OE1 no hydrogen 2.653 N/A THR 428.A OG1 ALA 424.A O no hydrogen 3.416 N/A THR 428.A OG1 SER 425.A O no hydrogen 3.431 N/A ALA 429.A N SER 425.A O no hydrogen 3.214 N/A THR 430.A N PHE 426.A O no hydrogen 3.085 N/A THR 430.A OG1 PHE 426.A O no hydrogen 2.953 N/A THR 430.A OG1 LEU 427.A O no hydrogen 3.310 N/A ALA 431.A N LEU 427.A O no hydrogen 3.080 N/A ARG 432.A N THR 428.A O no hydrogen 3.018 N/A ARG 432.A NH1 ILE 436.A O no hydrogen 2.954 N/A ARG 433.A N ALA 429.A O no hydrogen 3.102 N/A ARG 433.A NE ASP 386.A OD1 no hydrogen 2.820 N/A ARG 433.A NH1 ASP 3.A OD1 no hydrogen 2.996 N/A ARG 433.A NH2 ASP 3.A OD1 no hydrogen 3.563 N/A ARG 433.A NH2 ASP 386.A OD2 no hydrogen 2.895 N/A ALA 434.A N THR 430.A O no hydrogen 3.200 N/A GLY 435.A N ARG 432.A O no hydrogen 2.934 N/A ILE 436.A N ALA 431.A O no hydrogen 2.915 N/A SER 440.A OG.A ASP 261.A OD1 no hydrogen 2.736 N/A SER 440.A OG.B ASP 261.A OD1 no hydrogen 3.325 N/A SER 440.A OG.B ASP 261.A OD2 no hydrogen 2.675 N/A TRP 441.A N ASP 261.A OD2 no hydrogen 2.910 N/A TRP 441.A NE1 THR 259.A O no hydrogen 2.849 N/A ALA 442.A N ASP 261.A OD2 no hydrogen 2.877 N/A SER 445.A OG ASN 443.A OD1 no hydrogen 2.573 N/A ALA 446.A N ASN 443.A O no hydrogen 2.860 N/A ALA 446.A N ASN 443.A OD1 no hydrogen 3.342 N/A SER 447.A N SER 444.A O no hydrogen 3.244 N/A SER 447.A OG SER 444.A O no hydrogen 2.597 N/A THR 448.A N SER 445.A O no hydrogen 2.916 N/A THR 448.A OG1 SER 445.A O no hydrogen 2.829 N/A CYS 453.A SG.B PRO 450.A O no hydrogen 3.800 N/A SER 454.A N GLN 219.A OE1 no hydrogen 2.890 N/A VAL 458.A N ALA 167.A O no hydrogen 3.071 N/A GLY 460.A N GLN 168.A OE1 no hydrogen 3.015 N/A TYR 462.A OH GLN 168.A OE1 no hydrogen 2.717 N/A SER 463.A N ASN 161.A OD1 no hydrogen 3.329 N/A GLN 474.A NE2 THR 150.A OG1 no hydrogen 2.897 N/A THR 475.A N SER 473.A O no hydrogen 2.918 N/A THR 475.A OG1 SER 473.A O no hydrogen 3.548 N/A LYS 477.A N ASN 145.A OD1 no hydrogen 2.838 N/A LYS 477.A NZ ASN 144.A O.A no hydrogen 2.807 N/A LYS 477.A NZ ASN 144.A OD1.A no hydrogen 3.289 N/A VAL 480.A N LYS 477.A O no hydrogen 3.293 N/A GLY 483.A N TYR 70.A O no hydrogen 2.965 N/A TYR 486.A N ASP 71.A OD1 no hydrogen 2.894 N/A LEU 489.A N ASN 15.A OD1 no hydrogen 3.044 N/A CYS 491.A SG LEU 489.A O no hydrogen 3.966 N/A VAL 497.A N LEU 551.A O no hydrogen 2.794 N/A ALA 498.A N THR 589.A O no hydrogen 2.933 N/A VAL 499.A N VAL 549.A O no hydrogen 2.764 N/A THR 500.A N VAL 591.A O no hydrogen 2.909 N/A THR 500.A OG1 THR 548.A OG1 no hydrogen 2.822 N/A PHE 501.A N GLY 547.A O no hydrogen 2.699 N/A HIS 502.A N LYS 593.A O no hydrogen 2.926 N/A GLU 503.A N TRP 545.A O no hydrogen 2.809 N/A LEU 504.A N ASP 595.A O no hydrogen 3.046 N/A VAL 505.A N PRO 543.A O no hydrogen 2.882 N/A THR 507.A N TYR 538.A OH no hydrogen 2.995 N/A GLN 508.A N GLN 511.A OE1 no hydrogen 2.771 N/A GLN 511.A N GLN 508.A O no hydrogen 3.077 N/A THR 512.A N VAL 564.A O no hydrogen 2.962 N/A LYS 514.A N ILE 562.A O no hydrogen 2.967 N/A VAL 515.A N VAL 531.A O no hydrogen 2.859 N/A ALA 516.A N LYS 560.A O no hydrogen 2.932 N/A ASN 518.A N GLU 558.A O no hydrogen 2.975 N/A LEU 522.A N ALA 519.A O no hydrogen 2.932 N/A GLY 523.A N ALA 520.A O no hydrogen 3.034 N/A ASN 524.A N ALA 519.A O no hydrogen 3.144 N/A TRP 525.A N GLY 517.A O no hydrogen 2.847 N/A SER 526.A N GLY 523.A O no hydrogen 3.069 N/A SER 528.A OG SER 526.A OG no hydrogen 2.921 N/A ALA 529.A N SER 526.A O no hydrogen 3.230 N/A ALA 529.A N SER 526.A OG no hydrogen 3.405 N/A VAL 531.A N VAL 515.A O no hydrogen 2.945 N/A LEU 533.A N VAL 513.A O no hydrogen 2.935 N/A ASP 534.A N ILE 546.A O no hydrogen 2.772 N/A ASN 537.A ND2 THR 42.A O no hydrogen 2.807 N/A TYR 538.A N ALA 535.A O no hydrogen 2.996 N/A ALA 539.A N HIS 542.A O no hydrogen 3.020 N/A HIS 542.A N ALA 539.A O no hydrogen 2.815 N/A HIS 542.A NE2 GLU 110.A OE2 no hydrogen 2.586 N/A LEU 544.A N HIS 542.A O no hydrogen 2.907 N/A TRP 545.A N GLU 503.A O no hydrogen 2.833 N/A TRP 545.A NE1 THR 507.A OG1 no hydrogen 3.249 N/A ILE 546.A N ASP 534.A O no hydrogen 3.016 N/A GLY 547.A N PHE 501.A O no hydrogen 3.054 N/A THR 548.A OG1 THR 500.A OG1 no hydrogen 2.822 N/A VAL 549.A N VAL 499.A O no hydrogen 2.964 N/A LEU 551.A N VAL 497.A O no hydrogen 2.946 N/A ALA 553.A N THR 495.A O no hydrogen 2.854 N/A GLY 554.A N VAL 582.A O no hydrogen 2.776 N/A ASP 555.A N GLU 552.A O no hydrogen 3.150 N/A VAL 557.A N TYR 580.A O no hydrogen 2.782 N/A GLU 558.A N ASN 518.A OD1 no hydrogen 3.020 N/A TYR 559.A N HIS 578.A O no hydrogen 3.051 N/A TYR 559.A OH ASP 595.A OD2 no hydrogen 2.588 N/A LYS 560.A N ALA 516.A O no hydrogen 2.904 N/A LYS 560.A NZ GLU 573.A O no hydrogen 2.867 N/A LYS 560.A NZ ASP 575.A OD1 no hydrogen 2.671 N/A TYR 561.A N GLU 573.A OE2 no hydrogen 2.866 N/A TYR 561.A OH ASP 595.A OD2 no hydrogen 2.572 N/A ILE 562.A N LYS 514.A O no hydrogen 2.898 N/A ASN 563.A N THR 571.A O no hydrogen 2.802 N/A ASN 563.A ND2 GLN 511.A OE1 no hydrogen 3.180 N/A VAL 564.A N THR 512.A O no hydrogen 2.873 N/A GLY 565.A N SER 569.A O no hydrogen 2.919 N/A GLY 568.A N GLY 565.A O no hydrogen 3.028 N/A SER 569.A N ASP 567.A OD1 no hydrogen 3.396 N/A SER 569.A OG ASP 567.A OD1 no hydrogen 2.719 N/A SER 569.A OG ASP 567.A OD2 no hydrogen 3.168 N/A THR 571.A N ASN 563.A O no hydrogen 2.810 N/A GLU 573.A N TYR 561.A O no hydrogen 3.211 N/A SER 574.A N GLN 598.A O no hydrogen 3.042 N/A SER 574.A OG.A GLN 598.A O no hydrogen 3.455 N/A SER 574.A OG.B ASP 575.A O no hydrogen 3.208 N/A SER 574.A OG.B SER 599.A O.A no hydrogen 3.068 N/A ASN 577.A ND2 GLU 558.A OE1 no hydrogen 2.995 N/A HIS 578.A N TYR 559.A O no hydrogen 2.853 N/A HIS 578.A NE2 GLU 573.A OE2 no hydrogen 2.665 N/A TYR 580.A N VAL 557.A O no hydrogen 2.867 N/A VAL 582.A N ASP 555.A O no hydrogen 2.893 N/A CYS 587.A SG LEU 489.A O no hydrogen 3.483 N/A VAL 588.A N VAL 585.A O no hydrogen 3.028 N/A GLN 590.A NE2 THR 500.A OG1 no hydrogen 3.086 N/A VAL 591.A N ALA 498.A O no hydrogen 2.920 N/A LYS 593.A N THR 500.A O no hydrogen 2.823 N/A LYS 593.A NZ TYR 559.A OH no hydrogen 3.469 N/A LYS 593.A NZ ASP 595.A OD1 no hydrogen 2.867 N/A ASP 595.A N HIS 502.A O no hydrogen 2.809 N/A TRP 597.A N LEU 504.A O no hydrogen 3.047 N/A GLN 598.A N GLU 573.A OE1 no hydrogen 2.987 N/A