Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG CYS 59.A O no hydrogen 2.598 N/A ALA 5.A N SER 2.A OG no hydrogen 3.420 N/A HIS 6.A N SER 2.A O no hydrogen 3.053 N/A ARG 7.A N GLU 3.A O no hydrogen 3.006 N/A ARG 7.A NE GLU 3.A OE1 no hydrogen 3.003 N/A ARG 7.A NH1 ASP 251.A OD2 no hydrogen 2.717 N/A ARG 7.A NH2 GLU 3.A OE1 no hydrogen 3.275 N/A PHE 8.A N ILE 4.A O no hydrogen 2.937 N/A ASN 9.A N ALA 5.A O no hydrogen 2.782 N/A ASP 10.A N HIS 6.A O no hydrogen 3.037 N/A LEU 11.A N ARG 7.A O no hydrogen 2.999 N/A GLY 12.A N PHE 8.A O no hydrogen 3.075 N/A PHE 16.A N GLY 12.A O no hydrogen 2.843 N/A LYS 17.A N GLU 13.A O no hydrogen 2.800 N/A LYS 17.A NZ ASN 41.A OD1 no hydrogen 2.628 N/A GLY 18.A N LYS 14.A O no hydrogen 3.016 N/A LEU 19.A N HIS 15.A O no hydrogen 3.135 N/A VAL 20.A N PHE 16.A O no hydrogen 2.985 N/A LEU 21.A N LYS 17.A O no hydrogen 2.850 N/A VAL 22.A N GLY 18.A O no hydrogen 2.977 N/A ALA 23.A N LEU 19.A O no hydrogen 2.866 N/A PHE 24.A N VAL 20.A O no hydrogen 2.990 N/A SER 25.A N LEU 21.A O no hydrogen 2.740 N/A SER 25.A OG LEU 21.A O no hydrogen 2.730 N/A GLN 26.A N VAL 22.A O no hydrogen 2.966 N/A GLN 26.A NE2 HIS 142.A O no hydrogen 3.372 N/A GLN 26.A NE2 PHE 145.A O no hydrogen 3.051 N/A TYR 27.A N ALA 23.A O no hydrogen 2.963 N/A LEU 28.A N PHE 24.A O no hydrogen 2.803 N/A GLN 29.A NE2 ASP 104.A O no hydrogen 2.897 N/A GLN 29.A NE2 ARG 140.A O no hydrogen 2.671 N/A CYS 31.A SG PRO 32.A O no hydrogen 3.734 N/A GLU 34.A N GLU 34.A OE2 no hydrogen 2.819 N/A HIS 36.A N PRO 32.A O no hydrogen 3.355 N/A VAL 37.A N PHE 33.A O no hydrogen 2.908 N/A LYS 38.A N GLU 34.A O no hydrogen 3.303 N/A LEU 39.A N ASP 35.A O no hydrogen 3.254 N/A VAL 40.A N HIS 36.A O no hydrogen 3.022 N/A ASN 41.A N VAL 37.A O no hydrogen 2.949 N/A GLU 42.A N LYS 38.A O no hydrogen 2.922 N/A VAL 43.A N LEU 39.A O no hydrogen 3.123 N/A THR 44.A N VAL 40.A O no hydrogen 2.863 N/A THR 44.A OG1 VAL 40.A O no hydrogen 2.672 N/A GLU 45.A N ASN 41.A O no hydrogen 2.912 N/A PHE 46.A N GLU 42.A O no hydrogen 3.370 N/A ALA 47.A N VAL 43.A O no hydrogen 3.044 N/A LYS 48.A N THR 44.A O no hydrogen 3.097 N/A LYS 48.A NZ GLU 13.A OE2 no hydrogen 2.722 N/A LYS 49.A N GLU 45.A O no hydrogen 3.195 N/A CYS 50.A N PHE 46.A O no hydrogen 2.841 N/A CYS 50.A SG PHE 46.A O no hydrogen 3.278 N/A ALA 51.A N ALA 47.A O no hydrogen 2.696 N/A ALA 52.A N LYS 48.A O no hydrogen 3.208 N/A ALA 52.A N LYS 49.A O no hydrogen 2.999 N/A ASP 53.A N LYS 49.A O no hydrogen 3.047 N/A SER 55.A N ASP 53.A OD1 no hydrogen 2.940 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 2.809 N/A SER 55.A OG ASP 53.A OD2 no hydrogen 3.300 N/A ALA 56.A N ASP 53.A O no hydrogen 3.040 N/A CYS 59.A N ALA 56.A O no hydrogen 2.969 N/A CYS 59.A SG ASP 53.A O no hydrogen 3.873 N/A CYS 59.A SG ALA 56.A O no hydrogen 3.448 N/A LYS 61.A N ASN 58.A O no hydrogen 3.240 N/A SER 62.A OG THR 65.A OG1 no hydrogen 3.286 N/A HIS 64.A NE2 ASP 245.A OD1 no hydrogen 2.582 N/A THR 65.A N SER 62.A OG no hydrogen 3.242 N/A THR 65.A OG1 SER 62.A OG no hydrogen 3.286 N/A LEU 66.A N SER 62.A O no hydrogen 2.963 N/A PHE 67.A N LEU 63.A O no hydrogen 2.715 N/A GLY 68.A N HIS 64.A O no hydrogen 2.846 N/A ASP 69.A N THR 65.A O no hydrogen 3.056 N/A LYS 70.A N LEU 66.A O no hydrogen 3.112 N/A LYS 70.A NZ GLU 42.A OE2 no hydrogen 2.829 N/A LEU 71.A N PHE 67.A O no hydrogen 2.917 N/A CYS 72.A N GLY 68.A O no hydrogen 3.133 N/A CYS 72.A SG GLY 68.A O no hydrogen 3.001 N/A THR 73.A N LYS 70.A O no hydrogen 3.189 N/A THR 73.A OG1 LYS 70.A O no hydrogen 2.574 N/A VAL 74.A N LEU 71.A O no hydrogen 3.064 N/A THR 76.A OG1 ALA 75.A O no hydrogen 2.386 N/A THR 76.A OG1 THR 80.A OG1 no hydrogen 3.241 N/A ARG 78.A NH1 GLY 82.A O no hydrogen 2.782 N/A ARG 78.A NH1 ASP 86.A OD2 no hydrogen 2.821 N/A ARG 78.A NH2 ASP 86.A OD2 no hydrogen 2.872 N/A THR 80.A N THR 76.A O no hydrogen 3.312 N/A THR 80.A OG1 THR 76.A OG1 no hydrogen 3.241 N/A TYR 81.A N LEU 77.A O no hydrogen 3.149 N/A ALA 85.A N GLY 82.A O no hydrogen 3.320 N/A CYS 87.A N LEU 84.A O no hydrogen 3.056 N/A CYS 87.A SG GLU 83.A O no hydrogen 3.738 N/A CYS 88.A SG LEU 84.A O no hydrogen 3.825 N/A GLU 89.A N ASP 86.A O no hydrogen 3.376 N/A LYS 90.A N CYS 87.A O no hydrogen 2.907 N/A ARG 95.A N GLN 91.A O no hydrogen 2.804 N/A ARG 95.A NE GLU 92.A OE2 no hydrogen 2.916 N/A ARG 95.A NH1 ASP 69.A OD1 no hydrogen 2.917 N/A ARG 95.A NH2 HIS 64.A O no hydrogen 3.183 N/A ARG 95.A NH2 THR 65.A O no hydrogen 3.018 N/A ARG 95.A NH2 ASP 69.A OD1 no hydrogen 3.156 N/A ARG 95.A NH2 GLU 92.A OE2 no hydrogen 3.159 N/A ASN 96.A N GLU 92.A OE1 no hydrogen 2.708 N/A GLU 97.A N PRO 93.A O no hydrogen 3.147 N/A CYS 98.A N GLU 94.A O no hydrogen 2.906 N/A CYS 98.A N ARG 95.A O no hydrogen 3.224 N/A PHE 99.A N ARG 95.A O no hydrogen 3.127 N/A LEU 100.A N ASN 96.A O no hydrogen 2.913 N/A THR 101.A N GLU 97.A O no hydrogen 2.893 N/A THR 101.A OG1 GLU 97.A O no hydrogen 2.516 N/A HIS 102.A N CYS 98.A O no hydrogen 3.027 N/A HIS 102.A N PHE 99.A O no hydrogen 2.999 N/A LYS 103.A N LEU 100.A O no hydrogen 3.341 N/A LYS 103.A NZ PRO 143.A O no hydrogen 3.312 N/A ASP 104.A N GLN 29.A OE1 no hydrogen 2.720 N/A HIS 106.A N ASP 104.A OD1 no hydrogen 3.318 N/A ASN 108.A ND2 ASN 108.A O no hydrogen 2.925 N/A LYS 113.A NZ GLU 516.A OE2 no hydrogen 3.236 N/A GLU 115.A N GLN 119.A OE1 no hydrogen 2.901 N/A GLN 119.A N GLU 115.A O no hydrogen 2.723 N/A CYS 120.A N PRO 116.A O no hydrogen 3.208 N/A CYS 120.A SG PRO 116.A O no hydrogen 3.205 N/A ALA 121.A N ASP 117.A O no hydrogen 3.122 N/A ALA 122.A N ALA 118.A O no hydrogen 3.330 N/A PHE 123.A N GLN 119.A O no hydrogen 2.635 N/A GLN 124.A N CYS 120.A O no hydrogen 2.849 N/A GLU 125.A N ALA 121.A O no hydrogen 2.892 N/A ASP 126.A N ALA 122.A O no hydrogen 2.937 N/A LYS 129.A N ASP 126.A OD1 no hydrogen 3.280 N/A PHE 130.A N ASP 126.A O no hydrogen 3.023 N/A LEU 131.A N PRO 127.A O no hydrogen 2.710 N/A GLY 132.A N ASP 128.A O no hydrogen 2.781 N/A LYS 133.A N LYS 129.A O no hydrogen 2.964 N/A TYR 134.A N PHE 130.A O no hydrogen 3.211 N/A LEU 135.A N LEU 131.A O no hydrogen 3.087 N/A TYR 136.A N GLY 132.A O no hydrogen 2.945 N/A TYR 136.A OH CYS 31.A O no hydrogen 2.790 N/A GLU 137.A N LYS 133.A O no hydrogen 3.051 N/A VAL 138.A N TYR 134.A O no hydrogen 3.054 N/A ALA 139.A N LEU 135.A O no hydrogen 2.775 N/A ARG 140.A N TYR 136.A O no hydrogen 2.834 N/A ARG 140.A NE GLN 29.A O no hydrogen 2.971 N/A ARG 141.A N GLU 137.A O no hydrogen 3.387 N/A ARG 141.A N VAL 138.A O no hydrogen 2.944 N/A ARG 141.A NH1 GLU 137.A O no hydrogen 3.079 N/A ARG 141.A NH1 GLU 137.A OE1 no hydrogen 2.637 N/A ARG 141.A NH2 PRO 110.A O no hydrogen 2.877 N/A HIS 142.A N VAL 138.A O no hydrogen 3.037 N/A PHE 145.A N HIS 142.A O no hydrogen 2.978 N/A LEU 150.A N TYR 146.A O no hydrogen 3.241 N/A LEU 150.A N GLY 147.A O no hydrogen 2.987 N/A LEU 151.A N GLY 147.A O no hydrogen 3.508 N/A PHE 152.A N PRO 148.A O no hydrogen 3.236 N/A HIS 153.A N GLU 149.A O no hydrogen 3.040 N/A HIS 153.A ND1 GLU 156.A OE2 no hydrogen 2.948 N/A ALA 154.A N LEU 150.A O no hydrogen 2.784 N/A GLU 155.A N LEU 151.A O no hydrogen 3.142 N/A GLU 155.A N PHE 152.A O no hydrogen 2.902 N/A GLU 156.A N PHE 152.A O no hydrogen 3.340 N/A TYR 157.A N HIS 153.A O no hydrogen 2.987 N/A LYS 158.A N ALA 154.A O no hydrogen 3.205 N/A ALA 159.A N GLU 155.A O no hydrogen 2.951 N/A ASP 160.A N GLU 156.A O no hydrogen 3.217 N/A PHE 161.A N TYR 157.A O no hydrogen 3.244 N/A THR 162.A N LYS 158.A O no hydrogen 2.866 N/A THR 162.A OG1 LYS 158.A O no hydrogen 3.126 N/A GLU 163.A N ALA 159.A O no hydrogen 3.150 N/A GLU 163.A N ASP 160.A O no hydrogen 3.171 N/A CYS 164.A N ASP 160.A O no hydrogen 3.094 N/A CYS 164.A SG ASP 160.A O no hydrogen 3.397 N/A CYS 165.A N PHE 161.A O no hydrogen 3.230 N/A CYS 165.A SG PHE 161.A O no hydrogen 2.821 N/A ALA 167.A N CYS 164.A O no hydrogen 3.195 N/A ASP 169.A N ASP 168.A OD1 no hydrogen 2.453 N/A GLY 172.A N ASP 169.A OD1 no hydrogen 3.077 N/A CYS 173.A SG GLU 163.A OE1 no hydrogen 3.865 N/A LEU 174.A N LYS 170.A O no hydrogen 3.030 N/A LEU 178.A N LEU 174.A O no hydrogen 2.956 N/A ASP 179.A N ILE 175.A O no hydrogen 2.872 N/A ALA 180.A N PRO 176.A O no hydrogen 3.011 N/A LEU 181.A N LYS 177.A O no hydrogen 2.932 N/A LYS 182.A N LEU 178.A O no hydrogen 3.308 N/A GLU 183.A N ASP 179.A O no hydrogen 3.208 N/A ARG 184.A N ALA 180.A O no hydrogen 3.013 N/A ARG 184.A NH2 GLU 156.A OE2 no hydrogen 3.265 N/A ILE 185.A N LEU 181.A O no hydrogen 2.686 N/A LEU 186.A N LYS 182.A O no hydrogen 3.019 N/A LEU 187.A N GLU 183.A O no hydrogen 3.061 N/A SER 188.A N ARG 184.A O no hydrogen 3.076 N/A SER 189.A N ILE 185.A O no hydrogen 2.879 N/A SER 189.A OG HIS 142.A ND1 no hydrogen 2.952 N/A ALA 190.A N LEU 186.A O no hydrogen 3.101 N/A LYS 191.A N LEU 187.A O no hydrogen 2.911 N/A LYS 191.A NZ GLU 288.A OE1 no hydrogen 3.544 N/A LYS 191.A NZ GLU 288.A OE2 no hydrogen 3.058 N/A GLU 192.A N SER 188.A O no hydrogen 3.057 N/A ARG 193.A N SER 189.A O no hydrogen 2.926 N/A ARG 193.A NE ASP 105.A OD1 no hydrogen 2.720 N/A ARG 193.A NH1 ARG 193.A O no hydrogen 3.362 N/A ARG 193.A NH1 GLN 200.A OE1 no hydrogen 3.350 N/A ARG 193.A NH2 ASP 105.A OD1 no hydrogen 3.360 N/A ARG 193.A NH2 ASP 105.A OD2 no hydrogen 2.925 N/A LEU 194.A N ALA 190.A O no hydrogen 3.135 N/A LYS 195.A N LYS 191.A O no hydrogen 3.183 N/A CYS 196.A N GLU 192.A O no hydrogen 2.918 N/A CYS 196.A SG GLU 192.A O no hydrogen 3.484 N/A SER 197.A N ARG 193.A O no hydrogen 2.847 N/A SER 197.A OG ARG 193.A O no hydrogen 3.060 N/A SER 197.A OG ASN 454.A OD1 no hydrogen 3.414 N/A SER 198.A N LEU 194.A O no hydrogen 3.022 N/A SER 198.A OG LEU 194.A O no hydrogen 2.852 N/A PHE 199.A N LYS 195.A O no hydrogen 3.200 N/A GLN 200.A N CYS 196.A O no hydrogen 3.023 N/A ASN 201.A N SER 197.A O no hydrogen 2.933 N/A ASN 201.A ND2 SER 197.A O no hydrogen 2.914 N/A PHE 202.A N SER 198.A O no hydrogen 2.836 N/A GLY 203.A N SER 198.A O no hydrogen 2.873 N/A GLY 203.A N PHE 199.A O no hydrogen 3.217 N/A ARG 205.A NH1 ASP 320.A OD1 no hydrogen 3.121 N/A ALA 206.A N GLY 203.A O no hydrogen 3.285 N/A LYS 208.A N GLU 204.A O no hydrogen 3.051 N/A LYS 208.A NZ GLU 204.A OE1 no hydrogen 3.009 N/A ALA 209.A N ARG 205.A O no hydrogen 2.923 N/A TRP 210.A N ALA 206.A O no hydrogen 3.157 N/A SER 211.A N VAL 207.A O no hydrogen 2.933 N/A VAL 212.A N LYS 208.A O no hydrogen 2.709 N/A ALA 213.A N ALA 209.A O no hydrogen 3.014 N/A ARG 214.A N TRP 210.A O no hydrogen 3.102 N/A ARG 214.A NH1 GLN 217.A OE1 no hydrogen 2.909 N/A ARG 214.A NH1 GLU 291.A OE2 no hydrogen 2.748 N/A ARG 214.A NH2 GLU 291.A OE2 no hydrogen 3.516 N/A LEU 215.A N SER 211.A O no hydrogen 2.935 N/A SER 216.A N VAL 212.A O no hydrogen 2.795 N/A SER 216.A OG VAL 212.A O no hydrogen 2.779 N/A GLN 217.A N ALA 213.A O no hydrogen 3.076 N/A GLN 217.A NE2 HIS 334.A O no hydrogen 3.024 N/A GLN 217.A NE2 TYR 337.A O no hydrogen 2.834 N/A LYS 218.A N ARG 214.A O no hydrogen 3.041 N/A LYS 218.A NZ ALA 287.A O no hydrogen 3.166 N/A LYS 218.A NZ VAL 289.A O no hydrogen 3.534 N/A PHE 219.A N LEU 215.A O no hydrogen 2.799 N/A LYS 221.A NZ ASP 292.A OD2 no hydrogen 3.461 N/A ALA 222.A N PHE 219.A O no hydrogen 3.107 N/A GLU 226.A N ASP 223.A O no hydrogen 2.860 N/A GLU 226.A N ASP 223.A OD1 no hydrogen 3.202 N/A VAL 227.A N ASP 223.A O no hydrogen 3.182 N/A SER 228.A N PHE 224.A O no hydrogen 2.781 N/A SER 228.A OG PHE 224.A O no hydrogen 3.303 N/A LYS 229.A N ALA 225.A O no hydrogen 3.051 N/A LYS 229.A NZ ASP 233.A OD2 no hydrogen 2.756 N/A ILE 230.A N GLU 226.A O no hydrogen 2.943 N/A VAL 231.A N VAL 227.A O no hydrogen 2.836 N/A THR 232.A N SER 228.A O no hydrogen 2.772 N/A THR 232.A OG1 SER 228.A O no hydrogen 3.192 N/A ASP 233.A N LYS 229.A O no hydrogen 3.064 N/A LEU 234.A N ILE 230.A O no hydrogen 2.687 N/A THR 235.A N VAL 231.A O no hydrogen 2.941 N/A THR 235.A OG1 VAL 231.A O no hydrogen 2.783 N/A LYS 236.A N THR 232.A O no hydrogen 3.207 N/A VAL 237.A N ASP 233.A O no hydrogen 3.134 N/A HIS 238.A N LEU 234.A O no hydrogen 3.268 N/A HIS 238.A ND1 GLU 192.A OE2 no hydrogen 2.801 N/A LYS 239.A N THR 235.A O no hydrogen 3.010 N/A LYS 239.A NZ GLU 204.A OE2 no hydrogen 3.158 N/A GLU 240.A N LYS 236.A O no hydrogen 3.159 N/A CYS 241.A N VAL 237.A O no hydrogen 3.020 N/A CYS 242.A N HIS 238.A O no hydrogen 2.881 N/A CYS 242.A SG GLU 192.A OE2 no hydrogen 3.884 N/A CYS 242.A SG HIS 238.A O no hydrogen 3.140 N/A HIS 243.A N LYS 239.A O no hydrogen 3.162 N/A HIS 243.A N GLU 240.A O no hydrogen 3.167 N/A GLY 244.A N CYS 241.A O no hydrogen 2.902 N/A ASP 245.A N GLU 240.A O no hydrogen 2.903 N/A CYS 249.A N ASP 245.A O no hydrogen 3.141 N/A CYS 249.A SG VAL 237.A O no hydrogen 3.291 N/A ALA 250.A N LEU 246.A O no hydrogen 3.027 N/A ASP 251.A N LEU 247.A O no hydrogen 3.186 N/A ASP 252.A N GLU 248.A O no hydrogen 2.800 N/A ARG 253.A N CYS 249.A O no hydrogen 2.924 N/A ARG 253.A NE TYR 146.A OH no hydrogen 2.864 N/A ARG 253.A NH2 GLU 149.A OE2 no hydrogen 3.315 N/A ALA 254.A N ALA 250.A O no hydrogen 3.029 N/A ALA 254.A N ASP 251.A O no hydrogen 3.168 N/A ASP 255.A N ASP 251.A O no hydrogen 3.228 N/A LEU 256.A N ASP 252.A O no hydrogen 3.059 N/A ALA 257.A N ARG 253.A O no hydrogen 3.011 N/A LYS 258.A N ALA 254.A O no hydrogen 2.875 N/A LYS 258.A NZ GLU 262.A OE1 no hydrogen 3.485 N/A TYR 259.A N ASP 255.A O no hydrogen 3.067 N/A TYR 259.A OH GLU 226.A OE2 no hydrogen 2.520 N/A ILE 260.A N LEU 256.A O no hydrogen 3.023 N/A CYS 261.A N ALA 257.A O no hydrogen 3.153 N/A CYS 261.A SG ALA 257.A O no hydrogen 3.387 N/A GLU 262.A N LYS 258.A O no hydrogen 2.774 N/A HIS 263.A N ILE 260.A O no hydrogen 3.117 N/A HIS 263.A ND1 TYR 259.A O no hydrogen 3.093 N/A SER 266.A N HIS 263.A O no hydrogen 2.872 N/A SER 266.A OG GLU 226.A OE1 no hydrogen 3.259 N/A SER 266.A OG HIS 263.A O no hydrogen 3.330 N/A ILE 267.A N GLN 264.A O no hydrogen 2.786 N/A SER 268.A N GLN 264.A O no hydrogen 2.784 N/A SER 268.A OG ASP 292.A OD2 no hydrogen 3.232 N/A GLY 269.A N ASP 292.A OD2 no hydrogen 3.044 N/A LYS 270.A N SER 268.A OG no hydrogen 2.795 N/A CYS 275.A N LEU 271.A O no hydrogen 2.939 N/A CYS 275.A SG LEU 271.A O no hydrogen 2.911 N/A LYS 277.A NZ ALA 273.A O no hydrogen 3.147 N/A GLN 281.A NE2 GLU 155.A OE2 no hydrogen 2.817 N/A LYS 282.A N PRO 278.A O no hydrogen 2.902 N/A LYS 282.A N LEU 279.A O no hydrogen 3.112 N/A SER 283.A N LEU 279.A O no hydrogen 2.959 N/A SER 283.A OG LEU 279.A O no hydrogen 3.151 N/A HIS 284.A N LEU 280.A O no hydrogen 3.146 N/A HIS 284.A ND1 GLU 149.A OE1 no hydrogen 3.051 N/A HIS 284.A ND1 GLU 149.A OE2 no hydrogen 2.935 N/A CYS 285.A N GLN 281.A O no hydrogen 2.867 N/A ILE 286.A N LYS 282.A O no hydrogen 2.809 N/A ALA 287.A N SER 283.A O no hydrogen 2.874 N/A GLU 288.A N CYS 285.A O no hydrogen 3.146 N/A VAL 289.A N ILE 286.A O no hydrogen 3.341 N/A ASP 292.A N LYS 218.A O no hydrogen 2.988 N/A PHE 305.A N LEU 301.A O no hydrogen 2.862 N/A ALA 306.A N ALA 302.A O no hydrogen 2.721 N/A GLU 307.A N ALA 302.A O no hydrogen 2.965 N/A GLU 310.A N ASP 308.A OD1 no hydrogen 2.923 N/A HIS 314.A N GLU 310.A O no hydrogen 3.030 N/A TYR 315.A N ILE 311.A O no hydrogen 2.852 N/A TYR 315.A OH GLU 354.A OE2 no hydrogen 2.372 N/A LYS 316.A N CYS 312.A O no hydrogen 2.810 N/A ASP 317.A N LYS 313.A O no hydrogen 2.807 N/A LYS 319.A NZ GLU 354.A OE2 no hydrogen 2.916 N/A PHE 322.A N ALA 318.A O no hydrogen 3.121 N/A LEU 323.A N LYS 319.A O no hydrogen 2.617 N/A GLY 324.A N ASP 320.A O no hydrogen 2.835 N/A THR 325.A N VAL 321.A O no hydrogen 2.905 N/A THR 325.A OG1 VAL 321.A O no hydrogen 2.359 N/A PHE 326.A N PHE 322.A O no hydrogen 2.981 N/A LEU 327.A N LEU 323.A O no hydrogen 2.846 N/A TYR 328.A N GLY 324.A O no hydrogen 2.732 N/A TYR 328.A OH ALA 222.A O no hydrogen 2.491 N/A GLU 329.A N THR 325.A O no hydrogen 2.941 N/A TYR 330.A N PHE 326.A O no hydrogen 2.853 N/A SER 331.A N LEU 327.A O no hydrogen 2.945 N/A SER 331.A OG LEU 327.A O no hydrogen 2.837 N/A ARG 332.A N TYR 328.A O no hydrogen 3.104 N/A ARG 332.A NE GLU 329.A OE1 no hydrogen 3.351 N/A ARG 332.A NH1 GLU 329.A OE1 no hydrogen 3.147 N/A ARG 332.A NH1 GLU 329.A OE2 no hydrogen 3.303 N/A ARG 332.A NH2 PRO 220.A O no hydrogen 2.686 N/A ARG 333.A N GLU 329.A O no hydrogen 3.491 N/A HIS 334.A N SER 331.A O no hydrogen 2.932 N/A HIS 334.A ND1 ASP 336.A OD1 no hydrogen 3.238 N/A TYR 337.A N HIS 334.A O no hydrogen 3.150 N/A SER 338.A OG GLU 446.A OE1 no hydrogen 2.583 N/A VAL 339.A N ASN 447.A OD1 no hydrogen 3.031 N/A LEU 341.A N SER 338.A OG no hydrogen 3.179 N/A LEU 342.A N SER 338.A O no hydrogen 3.016 N/A LEU 343.A N VAL 339.A O no hydrogen 2.940 N/A ARG 344.A N SER 340.A O no hydrogen 2.913 N/A ARG 344.A NH1 GLU 446.A OE2 no hydrogen 3.327 N/A ARG 344.A NH1 ALA 478.A O no hydrogen 2.828 N/A ARG 344.A NH2 GLU 446.A OE1 no hydrogen 3.238 N/A ARG 344.A NH2 GLU 446.A OE2 no hydrogen 2.788 N/A ILE 345.A N LEU 341.A O no hydrogen 3.045 N/A ALA 346.A N LEU 342.A O no hydrogen 3.103 N/A LYS 347.A N LEU 343.A O no hydrogen 3.179 N/A LYS 347.A NZ SER 476.A OG no hydrogen 2.581 N/A THR 348.A N ARG 344.A O no hydrogen 2.943 N/A THR 348.A N ILE 345.A O no hydrogen 3.021 N/A THR 348.A OG1 ARG 344.A O no hydrogen 3.001 N/A TYR 349.A N ILE 345.A O no hydrogen 2.956 N/A TYR 349.A OH PHE 305.A O no hydrogen 2.606 N/A GLU 350.A N ALA 346.A O no hydrogen 2.911 N/A ALA 351.A N LYS 347.A O no hydrogen 3.100 N/A THR 352.A N THR 348.A O no hydrogen 2.863 N/A THR 352.A OG1 THR 348.A O no hydrogen 2.773 N/A LEU 353.A N TYR 349.A O no hydrogen 2.981 N/A GLU 354.A N GLU 350.A O no hydrogen 3.063 N/A LYS 355.A N ALA 351.A O no hydrogen 3.072 N/A LYS 355.A NZ GLU 359.A OE2 no hydrogen 2.756 N/A CYS 356.A N THR 352.A O no hydrogen 2.730 N/A CYS 356.A SG THR 352.A O no hydrogen 3.041 N/A CYS 357.A N LEU 353.A O no hydrogen 2.961 N/A GLU 359.A N CYS 356.A O no hydrogen 2.911 N/A ALA 364.A N ASP 361.A OD1 no hydrogen 3.512 N/A CYS 365.A SG GLU 359.A OE1 no hydrogen 3.380 N/A TYR 366.A N PRO 362.A O no hydrogen 2.789 N/A TYR 366.A OH ASP 308.A O no hydrogen 2.465 N/A VAL 369.A N TYR 366.A O no hydrogen 3.257 N/A ASP 371.A N THR 368.A O no hydrogen 2.976 N/A GLN 372.A N VAL 369.A O no hydrogen 3.195 N/A GLN 372.A NE2 THR 368.A O no hydrogen 3.119 N/A PHE 373.A N PHE 370.A O no hydrogen 3.051 N/A THR 374.A N ASP 371.A O no hydrogen 3.282 N/A VAL 377.A N PHE 373.A O no hydrogen 3.228 N/A VAL 377.A N THR 374.A O no hydrogen 3.141 N/A GLU 378.A N THR 374.A O no hydrogen 3.106 N/A GLU 379.A N PRO 375.A O no hydrogen 3.124 N/A LYS 381.A N VAL 377.A O no hydrogen 3.312 N/A SER 382.A N GLU 378.A O no hydrogen 3.088 N/A SER 382.A N GLU 379.A O no hydrogen 3.260 N/A LEU 383.A N GLU 379.A O no hydrogen 3.259 N/A VAL 384.A N PRO 380.A O no hydrogen 3.085 N/A LYS 385.A N LYS 381.A O no hydrogen 3.093 N/A LYS 386.A N SER 382.A O no hydrogen 2.941 N/A ASN 387.A N LEU 383.A O no hydrogen 2.866 N/A ASN 387.A ND2 LEU 383.A O no hydrogen 3.053 N/A CYS 388.A N VAL 384.A O no hydrogen 2.955 N/A ASP 389.A N LYS 385.A O no hydrogen 2.928 N/A LEU 390.A N LYS 386.A O no hydrogen 3.217 N/A PHE 391.A N ASN 387.A O no hydrogen 2.874 N/A GLU 392.A N CYS 388.A O no hydrogen 2.956 N/A GLU 393.A N LEU 390.A O no hydrogen 3.250 N/A VAL 394.A N LEU 390.A O no hydrogen 3.064 N/A GLY 395.A N PHE 391.A O no hydrogen 3.041 N/A PHE 399.A N GLY 395.A O no hydrogen 3.010 N/A GLN 400.A N GLU 396.A O no hydrogen 2.705 N/A GLN 400.A NE2 ARG 424.A O no hydrogen 3.241 N/A ASN 401.A N TYR 397.A O no hydrogen 3.005 N/A ALA 402.A N ASP 398.A O no hydrogen 2.785 N/A LEU 403.A N PHE 399.A O no hydrogen 3.095 N/A ILE 404.A N GLN 400.A O no hydrogen 2.794 N/A VAL 405.A N ASN 401.A O no hydrogen 2.938 N/A ARG 406.A N ALA 402.A O no hydrogen 2.900 N/A ARG 406.A NH1 ASN 387.A OD1 no hydrogen 2.872 N/A ARG 406.A NH2 ASN 387.A OD1 no hydrogen 3.096 N/A TYR 407.A N LEU 403.A O no hydrogen 2.865 N/A THR 408.A N ILE 404.A O no hydrogen 2.953 N/A THR 408.A OG1 ILE 404.A O no hydrogen 2.597 N/A LYS 409.A N VAL 405.A O no hydrogen 2.835 N/A LYS 409.A NZ PRO 533.A O no hydrogen 2.748 N/A LYS 409.A NZ ALA 535.A O no hydrogen 2.644 N/A LYS 410.A N TYR 407.A O no hydrogen 3.131 N/A LYS 410.A NZ PHE 484.A O no hydrogen 2.648 N/A LYS 410.A NZ LEU 487.A O no hydrogen 2.888 N/A ALA 411.A N TYR 407.A O no hydrogen 3.033 N/A GLN 413.A NE2 ASP 490.A OD2 no hydrogen 2.865 N/A VAL 414.A N ALA 411.A O no hydrogen 3.083 N/A THR 416.A OG1 GLU 527.A OE2 no hydrogen 2.637 N/A THR 418.A N SER 415.A OG no hydrogen 3.354 N/A THR 418.A OG1 SER 415.A OG no hydrogen 3.158 N/A LEU 419.A N SER 415.A O no hydrogen 3.178 N/A VAL 420.A N THR 416.A O no hydrogen 2.895 N/A GLU 421.A N PRO 417.A O no hydrogen 2.828 N/A ILE 422.A N THR 418.A O no hydrogen 2.884 N/A GLY 423.A N LEU 419.A O no hydrogen 2.957 N/A ARG 424.A N VAL 420.A O no hydrogen 2.878 N/A ARG 424.A NH1 GLN 518.A OE1 no hydrogen 3.473 N/A ARG 424.A NH1 GLN 522.A OE1 no hydrogen 2.523 N/A THR 425.A N GLU 421.A O no hydrogen 2.933 N/A THR 425.A OG1 GLU 421.A O no hydrogen 2.959 N/A LEU 426.A N ILE 422.A O no hydrogen 2.927 N/A GLY 427.A N GLY 423.A O no hydrogen 2.918 N/A LYS 428.A N ARG 424.A O no hydrogen 3.092 N/A VAL 429.A N THR 425.A O no hydrogen 3.165 N/A VAL 429.A N LEU 426.A O no hydrogen 3.039 N/A GLY 430.A N LEU 426.A O no hydrogen 3.441 N/A SER 431.A N GLY 427.A O no hydrogen 3.290 N/A SER 431.A OG GLU 396.A OE1 no hydrogen 2.557 N/A ARG 432.A N LYS 428.A O no hydrogen 3.075 N/A CYS 433.A N VAL 429.A O no hydrogen 2.917 N/A CYS 433.A SG VAL 429.A O no hydrogen 3.359 N/A CYS 434.A N GLY 430.A O no hydrogen 3.018 N/A CYS 434.A SG GLY 430.A O no hydrogen 3.301 N/A LEU 436.A N CYS 433.A O no hydrogen 3.199 N/A GLU 440.A N PRO 437.A O no hydrogen 2.762 N/A ARG 441.A NH2 CYS 434.A O no hydrogen 3.069 N/A CYS 444.A N GLU 440.A O no hydrogen 3.150 N/A CYS 444.A SG HIS 448.A ND1 no hydrogen 3.881 N/A SER 445.A N ARG 441.A O no hydrogen 2.679 N/A SER 445.A OG ARG 441.A O no hydrogen 2.630 N/A GLU 446.A N LEU 442.A O no hydrogen 2.960 N/A ASN 447.A N PRO 443.A O no hydrogen 2.816 N/A HIS 448.A N CYS 444.A O no hydrogen 3.077 N/A HIS 448.A ND1 CYS 444.A O no hydrogen 2.856 N/A LEU 449.A N SER 445.A O no hydrogen 2.923 N/A ALA 450.A N GLU 446.A O no hydrogen 3.102 N/A ALA 452.A N HIS 448.A O no hydrogen 3.149 N/A LEU 453.A N LEU 449.A O no hydrogen 2.795 N/A ASN 454.A N ALA 450.A O no hydrogen 3.064 N/A ASN 454.A ND2 SER 197.A OG no hydrogen 3.247 N/A ARG 455.A N LEU 451.A O no hydrogen 3.159 N/A ARG 455.A NE GLU 421.A OE2 no hydrogen 2.994 N/A ARG 455.A NH1 ASP 105.A O no hydrogen 3.538 N/A ARG 455.A NH2 GLU 421.A OE2 no hydrogen 3.282 N/A LEU 456.A N ALA 452.A O no hydrogen 3.062 N/A CYS 457.A N LEU 453.A O no hydrogen 2.925 N/A CYS 457.A SG LEU 453.A O no hydrogen 3.058 N/A VAL 458.A N ASN 454.A O no hydrogen 2.799 N/A LEU 459.A N ARG 455.A O no hydrogen 2.957 N/A HIS 460.A N LEU 456.A O no hydrogen 2.952 N/A GLU 461.A N CYS 457.A O no hydrogen 3.090 N/A GLU 461.A N VAL 458.A O no hydrogen 3.191 N/A LYS 462.A N VAL 458.A O no hydrogen 3.409 N/A LYS 462.A NZ ASP 104.A OD1 no hydrogen 2.824 N/A LYS 462.A NZ ASP 104.A OD2 no hydrogen 3.501 N/A THR 463.A N LEU 459.A O no hydrogen 2.963 N/A VAL 465.A N HIS 460.A NE2 no hydrogen 3.143 N/A LYS 468.A NZ GLU 488.A O no hydrogen 2.598 N/A THR 470.A N SER 466.A O no hydrogen 3.170 N/A THR 470.A OG1 SER 466.A O no hydrogen 3.345 N/A LYS 471.A N GLU 467.A O no hydrogen 3.098 N/A CYS 472.A N LYS 468.A O no hydrogen 3.164 N/A CYS 472.A SG LYS 468.A O no hydrogen 3.687 N/A CYS 473.A N ILE 469.A O no hydrogen 2.821 N/A CYS 473.A SG ILE 469.A O no hydrogen 3.172 N/A THR 474.A N LYS 471.A O no hydrogen 3.342 N/A THR 474.A OG1 THR 470.A O no hydrogen 2.972 N/A THR 474.A OG1 LYS 471.A O no hydrogen 3.390 N/A ASP 475.A N LYS 471.A O no hydrogen 2.972 N/A ARG 480.A N LEU 477.A O no hydrogen 3.405 N/A ARG 480.A NE CYS 473.A O no hydrogen 3.395 N/A ARG 480.A NH1 ASN 454.A OD1 no hydrogen 2.795 N/A ARG 480.A NH2 CYS 473.A O no hydrogen 2.972 N/A ARG 481.A NE GLU 446.A OE2 no hydrogen 3.017 N/A ARG 481.A NH1 GLU 379.A OE2 no hydrogen 3.007 N/A ARG 481.A NH1 SER 485.A OG no hydrogen 2.870 N/A ARG 481.A NH2 GLU 379.A OE1 no hydrogen 3.151 N/A ARG 481.A NH2 GLU 379.A OE2 no hydrogen 3.487 N/A ARG 481.A NH2 GLU 446.A OE2 no hydrogen 3.214 N/A CYS 483.A N GLU 479.A O no hydrogen 2.907 N/A PHE 484.A N ARG 480.A O no hydrogen 2.857 N/A SER 485.A N ARG 481.A O no hydrogen 3.030 N/A SER 485.A OG ARG 481.A O no hydrogen 3.111 N/A ALA 486.A N PRO 482.A O no hydrogen 3.217 N/A ASP 490.A N LYS 409.A O no hydrogen 3.155 N/A GLY 492.A N ASP 490.A OD1 no hydrogen 2.993 N/A LYS 496.A N LYS 530.A O no hydrogen 3.051 N/A LYS 496.A NZ GLU 527.A OE1 no hydrogen 2.661 N/A PHE 498.A N GLU 497.A OE2 no hydrogen 3.064 N/A THR 502.A N LYS 499.A O no hydrogen 3.113 N/A PHE 503.A N ALA 500.A O no hydrogen 2.926 N/A THR 504.A N GLU 501.A O no hydrogen 3.237 N/A THR 504.A OG1 ALA 500.A O no hydrogen 2.416 N/A HIS 506.A ND1 GLU 561.A OE2 no hydrogen 2.711 N/A HIS 506.A NE2 GLU 501.A OE1 no hydrogen 3.108 N/A ALA 507.A N GLU 561.A OE1 no hydrogen 2.831 N/A ILE 509.A N HIS 506.A O no hydrogen 3.521 N/A CYS 510.A N ALA 507.A O no hydrogen 3.159 N/A CYS 510.A SG ALA 507.A O no hydrogen 3.559 N/A THR 511.A OG1 ASP 508.A O no hydrogen 2.953 N/A LYS 517.A N PRO 513.A O no hydrogen 2.862 N/A LYS 517.A NZ GLU 514.A OE2 no hydrogen 3.318 N/A GLN 518.A N GLU 514.A O no hydrogen 3.083 N/A GLN 518.A NE2 GLU 514.A OE1 no hydrogen 3.075 N/A ILE 519.A N ASP 515.A O no hydrogen 2.981 N/A LYS 520.A N GLU 516.A O no hydrogen 3.316 N/A LYS 521.A N LYS 517.A O no hydrogen 3.144 N/A LYS 521.A NZ SER 548.A OG no hydrogen 2.762 N/A GLN 522.A N GLN 518.A O no hydrogen 2.614 N/A GLN 522.A NE2 GLN 400.A OE1 no hydrogen 3.207 N/A GLN 522.A NE2 ASN 401.A OD1 no hydrogen 3.008 N/A SER 523.A N ILE 519.A O no hydrogen 2.740 N/A SER 523.A OG ILE 519.A O no hydrogen 2.556 N/A ALA 524.A N LYS 520.A O no hydrogen 2.935 N/A LEU 525.A N LYS 521.A O no hydrogen 2.791 N/A ALA 526.A N GLN 522.A O no hydrogen 2.899 N/A GLU 527.A N SER 523.A O no hydrogen 3.004 N/A LEU 528.A N ALA 524.A O no hydrogen 2.585 N/A VAL 529.A N LEU 525.A O no hydrogen 3.102 N/A VAL 529.A N ALA 526.A O no hydrogen 2.881 N/A LYS 530.A N ALA 526.A O no hydrogen 3.081 N/A LYS 530.A NZ VAL 414.A O no hydrogen 2.832 N/A LYS 530.A NZ THR 416.A OG1 no hydrogen 3.282 N/A HIS 531.A N GLU 527.A O no hydrogen 3.180 N/A HIS 531.A ND1 LYS 496.A O no hydrogen 3.018 N/A LYS 532.A N LEU 528.A O no hydrogen 3.124 N/A LYS 532.A NZ GLN 576.A O no hydrogen 2.941 N/A ALA 535.A N LYS 532.A O no hydrogen 3.111 N/A THR 536.A N GLN 539.A OE1 no hydrogen 2.436 N/A THR 536.A OG1 GLN 539.A OE1 no hydrogen 2.958 N/A GLN 539.A N THR 536.A OG1 no hydrogen 3.162 N/A GLN 539.A NE2 ALA 578.A O no hydrogen 3.034 N/A LEU 540.A N THR 536.A O no hydrogen 3.165 N/A LYS 541.A N LYS 537.A O no hydrogen 2.957 N/A THR 542.A N GLU 538.A O no hydrogen 3.265 N/A THR 542.A OG1 GLU 538.A O no hydrogen 3.289 N/A THR 542.A OG1 GLU 538.A OE2 no hydrogen 2.965 N/A VAL 543.A N GLN 539.A O no hydrogen 3.085 N/A LEU 544.A N LEU 540.A O no hydrogen 2.932 N/A GLY 545.A N LYS 541.A O no hydrogen 3.011 N/A ASN 546.A N THR 542.A O no hydrogen 2.839 N/A PHE 547.A N VAL 543.A O no hydrogen 2.977 N/A SER 548.A N LEU 544.A O no hydrogen 2.860 N/A ALA 549.A N GLY 545.A O no hydrogen 3.032 N/A PHE 550.A N ASN 546.A O no hydrogen 3.186 N/A VAL 551.A N PHE 547.A O no hydrogen 2.889 N/A ALA 552.A N SER 548.A O no hydrogen 2.814 N/A LYS 553.A N ALA 549.A O no hydrogen 3.037 N/A LYS 553.A NZ GLU 567.A OE1 no hydrogen 3.450 N/A LYS 553.A NZ GLU 567.A OE2 no hydrogen 2.814 N/A CYS 554.A N PHE 550.A O no hydrogen 3.215 N/A CYS 554.A SG PHE 550.A O no hydrogen 3.630 N/A CYS 555.A N VAL 551.A O no hydrogen 3.087 N/A CYS 555.A SG VAL 551.A O no hydrogen 3.257 N/A GLY 556.A N LYS 553.A O no hydrogen 3.078 N/A ALA 557.A N CYS 554.A O no hydrogen 3.442 N/A LYS 560.A NZ CYS 555.A O no hydrogen 2.986 N/A LYS 560.A NZ ALA 557.A O no hydrogen 2.794 N/A CYS 563.A N ASP 559.A O no hydrogen 3.119 N/A PHE 564.A N LYS 560.A O no hydrogen 2.962 N/A ALA 565.A N GLU 561.A O no hydrogen 2.805 N/A GLU 566.A N ALA 562.A O no hydrogen 3.069 N/A GLU 567.A N CYS 563.A O no hydrogen 3.166 N/A GLY 568.A N PHE 564.A O no hydrogen 2.846 N/A LEU 571.A N GLY 568.A O no hydrogen 2.944 N/A VAL 572.A N GLY 568.A O no hydrogen 3.093 N/A ALA 573.A N PRO 569.A O no hydrogen 2.919 N/A SER 574.A N LYS 570.A O no hydrogen 2.843 N/A SER 574.A OG LYS 570.A O no hydrogen 3.024 N/A SER 575.A N LEU 571.A O no hydrogen 3.074 N/A SER 575.A OG LEU 571.A O no hydrogen 2.602 N/A SER 575.A OG VAL 572.A O no hydrogen 3.234 N/A GLN 576.A N ALA 573.A O no hydrogen 3.335 N/A LEU 577.A N SER 574.A O no hydrogen 2.937 N/A