Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qgg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 32.A OD1 no hydrogen 2.876 N/A SER 1.A N ARG 33.A O no hydrogen 3.305 N/A SER 1.A OG GLU 206.A OE1 no hydrogen 2.836 N/A SER 3.A N PHE 31.A O no hydrogen 2.887 N/A SER 3.A OG VAL 29.A O no hydrogen 2.719 N/A SER 3.A OG PHE 31.A O no hydrogen 3.228 N/A THR 5.A N TYR 252.A O no hydrogen 2.874 N/A TRP 6.A NE1 THR 30.A OG1 no hydrogen 2.669 N/A THR 7.A N CYS 250.A O no hydrogen 3.066 N/A THR 7.A OG1 ASN 249.A O no hydrogen 2.663 N/A THR 7.A OG1 CYS 250.A O no hydrogen 3.095 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.418 N/A THR 12.A OG1 SER 245.A OG no hydrogen 2.845 N/A THR 17.A OG1 LYS 118.A O no hydrogen 2.764 N/A THR 17.A OG1 GLU 120.A O no hydrogen 3.238 N/A SER 21.A N THR 18.A O no hydrogen 3.412 N/A SER 21.A OG THR 18.A O no hydrogen 2.692 N/A ALA 22.A N SER 19.A O no hydrogen 3.326 N/A LEU 24.A N SER 21.A O no hydrogen 2.972 N/A GLN 26.A N ALA 22.A O no hydrogen 2.850 N/A LYS 27.A N SER 23.A O no hydrogen 3.390 N/A LYS 28.A N LEU 24.A O no hydrogen 3.407 N/A VAL 29.A N ARG 25.A O no hydrogen 3.024 N/A THR 30.A OG1 GLN 26.A O no hydrogen 2.587 N/A PHE 31.A N SER 3.A OG no hydrogen 3.048 N/A ARG 33.A N SER 1.A O no hydrogen 3.176 N/A ARG 33.A NE SER 1.A O no hydrogen 2.771 N/A ARG 33.A NH1 SER 202.A O no hydrogen 2.636 N/A ARG 33.A NH1 VAL 204.A O no hydrogen 3.154 N/A ARG 33.A NH2 SER 1.A O no hydrogen 3.427 N/A ARG 33.A NH2 ARG 254.A O no hydrogen 2.664 N/A GLN 35.A NE2 ASP 208.A OD1 no hydrogen 3.236 N/A GLN 35.A NE2 TYR 322.A O no hydrogen 2.935 N/A VAL 36.A N ARG 321.A O no hydrogen 2.809 N/A TYR 41.A N ASP 38.A OD1 no hydrogen 3.351 N/A TYR 41.A OH ASP 208.A OD1 no hydrogen 3.283 N/A ARG 42.A N ASP 38.A O no hydrogen 3.265 N/A ARG 42.A NH1 LEU 37.A O no hydrogen 3.519 N/A ARG 42.A NH2 ASP 39.A OD1 no hydrogen 3.551 N/A ASP 43.A N ASP 39.A O no hydrogen 2.897 N/A VAL 44.A N HIS 40.A O no hydrogen 2.919 N/A LEU 45.A N TYR 41.A O no hydrogen 3.065 N/A LYS 46.A N ARG 42.A O no hydrogen 3.030 N/A GLU 47.A N ASP 43.A O no hydrogen 3.221 N/A MET 48.A N VAL 44.A O no hydrogen 2.962 N/A LYS 49.A N LEU 45.A O no hydrogen 2.994 N/A ALA 50.A N LYS 46.A O no hydrogen 3.117 N/A LYS 51.A N MET 48.A O no hydrogen 2.987 N/A LYS 51.A NZ VAL 162.A O no hydrogen 3.483 N/A ALA 52.A N MET 48.A O no hydrogen 3.107 N/A SER 53.A N LYS 49.A O no hydrogen 3.075 N/A SER 53.A OG LYS 49.A O no hydrogen 3.318 N/A THR 54.A OG1 LYS 51.A O no hydrogen 2.572 N/A VAL 55.A N ALA 52.A O no hydrogen 2.955 N/A ALA 57.A N ASP 220.A O no hydrogen 3.056 N/A LYS 58.A N ASP 153.A OD2 no hydrogen 2.656 N/A LEU 60.A N MET 149.A O no hydrogen 3.129 N/A SER 61.A N GLU 64.A OE1 no hydrogen 3.028 N/A SER 61.A OG GLU 63.A OE2 no hydrogen 3.047 N/A SER 61.A OG GLU 64.A OE1 no hydrogen 3.384 N/A GLU 64.A N SER 61.A OG no hydrogen 2.997 N/A ALA 65.A N SER 61.A O no hydrogen 2.944 N/A CYS 66.A SG VAL 62.A O no hydrogen 3.054 N/A LEU 68.A N ALA 65.A O no hydrogen 3.217 N/A THR 69.A N CYS 66.A O no hydrogen 3.394 N/A THR 69.A OG1 ALA 65.A O no hydrogen 3.388 N/A THR 69.A OG1 CYS 66.A O no hydrogen 3.092 N/A SER 73.A N PRO 70.A O no hydrogen 3.236 N/A SER 76.A N TYR 80.A O no hydrogen 2.881 N/A SER 76.A OG ASP 140.A OD1 no hydrogen 3.521 N/A SER 76.A OG ASP 140.A OD2 no hydrogen 2.912 N/A LYS 77.A N ASP 140.A OD1 no hydrogen 2.991 N/A PHE 78.A N SER 76.A OG no hydrogen 2.998 N/A TYR 80.A OH HIS 95.A ND1 no hydrogen 2.735 N/A VAL 85.A N GLY 81.A O no hydrogen 3.064 N/A ARG 86.A N ALA 82.A O no hydrogen 2.959 N/A ARG 86.A NH1 LYS 67.A O no hydrogen 3.050 N/A ASN 87.A N LYS 83.A O no hydrogen 2.995 N/A LEU 88.A N VAL 85.A O no hydrogen 2.967 N/A SER 89.A N ASP 84.A O no hydrogen 3.081 N/A SER 89.A OG ASP 84.A O no hydrogen 2.756 N/A VAL 93.A N SER 89.A O no hydrogen 3.011 N/A ASN 94.A N SER 90.A O no hydrogen 2.960 N/A HIS 95.A N LYS 91.A O no hydrogen 3.068 N/A HIS 95.A ND1 TYR 80.A OH no hydrogen 2.735 N/A ILE 96.A N ALA 92.A O no hydrogen 2.790 N/A ARG 97.A N VAL 93.A O no hydrogen 2.943 N/A SER 98.A N ASN 94.A O no hydrogen 3.331 N/A SER 98.A OG HIS 95.A O no hydrogen 2.609 N/A VAL 99.A N HIS 95.A O no hydrogen 3.131 N/A TRP 100.A N ILE 96.A O no hydrogen 2.899 N/A LYS 101.A N ARG 97.A O no hydrogen 2.782 N/A ASP 102.A N SER 98.A O no hydrogen 2.848 N/A LEU 103.A N VAL 99.A O no hydrogen 2.926 N/A LEU 104.A N TRP 100.A O no hydrogen 3.317 N/A GLU 105.A N ASP 102.A O no hydrogen 3.100 N/A ASP 106.A N ASP 102.A O no hydrogen 2.717 N/A GLU 108.A N ASP 106.A OD1 no hydrogen 3.139 N/A THR 109.A N ASP 106.A OD1 no hydrogen 2.839 N/A THR 109.A OG1 ASP 106.A OD1 no hydrogen 3.332 N/A THR 109.A OG1 ASP 106.A OD2 no hydrogen 2.868 N/A ILE 111.A N ARG 235.A O no hydrogen 2.795 N/A THR 113.A N PRO 241.A O no hydrogen 3.331 N/A THR 113.A OG1 PRO 241.A O no hydrogen 2.652 N/A THR 114.A N PHE 138.A O no hydrogen 2.924 N/A THR 114.A OG1 PHE 138.A O no hydrogen 3.357 N/A ILE 115.A N THR 243.A O no hydrogen 3.080 N/A MET 116.A N ILE 136.A O no hydrogen 2.988 N/A LYS 118.A N ARG 134.A O no hydrogen 2.747 N/A ASN 119.A ND2 THR 17.A O no hydrogen 2.607 N/A GLU 120.A N THR 17.A OG1 no hydrogen 2.739 N/A PHE 122.A N TYR 15.A O no hydrogen 2.894 N/A GLN 125.A NE2 LYS 127.A O no hydrogen 3.366 N/A LYS 127.A NZ LYS 127.A O no hydrogen 2.763 N/A LYS 131.A N TYR 15.A OH no hydrogen 3.181 N/A ALA 133.A N SER 21.A OG no hydrogen 3.124 N/A ILE 136.A N MET 116.A O no hydrogen 2.841 N/A PHE 138.A N THR 114.A O no hydrogen 3.139 N/A GLY 142.A N ASP 140.A OD2 no hydrogen 3.203 N/A ARG 144.A N ASP 140.A O no hydrogen 3.006 N/A ARG 144.A NH1 PRO 139.A O no hydrogen 2.881 N/A ARG 144.A NH2 ALA 74.A O no hydrogen 2.800 N/A VAL 145.A N LEU 141.A O no hydrogen 3.186 N/A VAL 145.A N GLY 142.A O no hydrogen 3.252 N/A CYS 146.A N GLY 142.A O no hydrogen 3.399 N/A CYS 146.A SG ILE 96.A O no hydrogen 3.731 N/A CYS 146.A SG GLY 142.A O no hydrogen 3.589 N/A GLU 147.A N VAL 143.A O no hydrogen 2.992 N/A LYS 148.A NZ GLY 530.A O no hydrogen 3.534 N/A MET 149.A N VAL 145.A O no hydrogen 3.066 N/A ALA 150.A N CYS 146.A O no hydrogen 3.049 N/A LEU 151.A N GLU 147.A O no hydrogen 2.798 N/A TYR 152.A N LYS 148.A O no hydrogen 3.114 N/A VAL 155.A N LEU 151.A O no hydrogen 3.029 N/A SER 156.A N TYR 152.A O no hydrogen 3.318 N/A SER 156.A OG TYR 152.A O no hydrogen 2.492 N/A SER 156.A OG ASP 153.A O no hydrogen 3.406 N/A THR 157.A N VAL 154.A O no hydrogen 2.940 N/A THR 157.A OG1 ASP 153.A O no hydrogen 2.944 N/A THR 157.A OG1 ASP 153.A OD1 no hydrogen 3.199 N/A LEU 158.A N VAL 154.A O no hydrogen 2.714 N/A ALA 161.A N LEU 158.A O no hydrogen 2.943 N/A VAL 162.A N LEU 158.A O no hydrogen 3.090 N/A MET 163.A N PRO 159.A O no hydrogen 2.848 N/A GLY 164.A N GLN 160.A O no hydrogen 3.011 N/A SER 166.A N MET 163.A O no hydrogen 3.238 N/A SER 166.A OG MET 289.A O no hydrogen 3.076 N/A GLY 168.A N VAL 291.A O no hydrogen 2.845 N/A GLN 170.A NE2 GLY 164.A O no hydrogen 2.481 N/A GLN 170.A NE2 TYR 167.A O no hydrogen 2.714 N/A TYR 171.A N GLY 168.A O no hydrogen 3.179 N/A TYR 171.A OH SER 165.A O no hydrogen 2.865 N/A SER 172.A N GLN 175.A OE1 no hydrogen 2.818 N/A SER 172.A OG GLN 175.A OE1 no hydrogen 3.409 N/A SER 172.A OG LEU 442.A O no hydrogen 3.269 N/A GLY 174.A N LEU 442.A O no hydrogen 3.159 N/A GLN 175.A N SER 172.A OG no hydrogen 3.243 N/A ARG 176.A N SER 172.A O no hydrogen 2.932 N/A ARG 176.A NH1 SER 341.A OG no hydrogen 3.109 N/A ARG 176.A NH2 ASP 295.A OD2 no hydrogen 3.316 N/A VAL 177.A N PRO 173.A O no hydrogen 3.060 N/A GLU 178.A N GLY 174.A O no hydrogen 2.912 N/A PHE 179.A N GLN 175.A O no hydrogen 2.931 N/A LEU 180.A N ARG 176.A O no hydrogen 2.940 N/A VAL 181.A N VAL 177.A O no hydrogen 2.871 N/A ASN 182.A N GLU 178.A O no hydrogen 2.965 N/A ALA 183.A N PHE 179.A O no hydrogen 2.961 N/A TRP 184.A N LEU 180.A O no hydrogen 3.068 N/A LYS 185.A N VAL 181.A O no hydrogen 2.920 N/A ALA 186.A N ASN 182.A O no hydrogen 2.806 N/A LYS 187.A NZ ASP 286.A O no hydrogen 3.101 N/A LYS 187.A NZ THR 288.A OG1 no hydrogen 2.876 N/A CYS 189.A N GLU 301.A OE2 no hydrogen 2.715 N/A MET 191.A N CYS 300.A O no hydrogen 3.050 N/A GLY 192.A N GLU 333.A O no hydrogen 3.031 N/A PHE 193.A N VAL 298.A O no hydrogen 2.868 N/A TYR 195.A N LEU 296.A O no hydrogen 3.058 N/A TYR 195.A OH ALA 324.A O no hydrogen 2.593 N/A ARG 198.A N PRO 325.A O no hydrogen 3.028 N/A ARG 198.A NH1 LYS 28.A O no hydrogen 3.345 N/A CYS 199.A SG LYS 28.A O no hydrogen 3.697 N/A SER 202.A N CYS 199.A O no hydrogen 2.749 N/A SER 202.A OG VAL 29.A O no hydrogen 3.229 N/A THR 203.A N CYS 199.A O no hydrogen 3.305 N/A THR 203.A N PHE 200.A O no hydrogen 2.812 N/A THR 203.A OG1 PHE 200.A O no hydrogen 2.749 N/A THR 205.A N ASP 208.A OD2 no hydrogen 3.322 N/A THR 205.A OG1 GLN 35.A OE1 no hydrogen 3.212 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 3.273 N/A ASN 207.A ND2 GLN 35.A OE1 no hydrogen 3.321 N/A ASP 208.A N THR 205.A OG1 no hydrogen 3.210 N/A ILE 209.A N THR 205.A O no hydrogen 3.203 N/A ARG 210.A N GLU 206.A O no hydrogen 3.039 N/A ARG 210.A NE GLU 234.A OE2 no hydrogen 2.929 N/A ARG 210.A NH2 GLU 234.A OE1 no hydrogen 2.970 N/A ARG 210.A NH2 GLU 234.A OE2 no hydrogen 2.927 N/A VAL 211.A N ASN 207.A O no hydrogen 2.744 N/A GLU 212.A N ASP 208.A O no hydrogen 3.068 N/A GLU 213.A N ILE 209.A O no hydrogen 3.147 N/A SER 214.A N ARG 210.A O no hydrogen 2.916 N/A SER 214.A OG VAL 211.A O no hydrogen 2.744 N/A ILE 215.A N VAL 211.A O no hydrogen 3.195 N/A ILE 215.A N GLU 212.A O no hydrogen 2.954 N/A TYR 216.A N GLU 212.A O no hydrogen 3.013 N/A GLN 217.A N GLU 213.A O no hydrogen 2.869 N/A GLN 217.A NE2 GLU 213.A OE2 no hydrogen 3.031 N/A CYS 218.A N ILE 215.A O no hydrogen 3.104 N/A CYS 218.A SG LYS 49.A O no hydrogen 3.933 N/A CYS 218.A SG SER 214.A O no hydrogen 3.455 N/A CYS 219.A N TYR 216.A O no hydrogen 3.357 N/A CYS 219.A SG ALA 52.A O no hydrogen 4.033 N/A CYS 219.A SG TYR 216.A O no hydrogen 3.276 N/A ASP 220.A N VAL 55.A O no hydrogen 3.064 N/A ARG 226.A N ALA 222.A O no hydrogen 2.897 N/A ARG 226.A NH1 GLN 217.A O no hydrogen 2.891 N/A ARG 226.A NH1 GLN 217.A OE1 no hydrogen 3.386 N/A ARG 226.A NH2 CYS 219.A O no hydrogen 2.974 N/A GLN 227.A N PRO 223.A O no hydrogen 3.001 N/A ALA 228.A N GLU 224.A O no hydrogen 2.830 N/A ILE 229.A N ALA 225.A O no hydrogen 2.892 N/A ARG 230.A N ARG 226.A O no hydrogen 3.141 N/A ARG 230.A NE GLU 213.A OE2 no hydrogen 2.954 N/A ARG 230.A NH2 GLU 213.A OE1 no hydrogen 3.289 N/A ARG 230.A NH2 GLU 234.A OE2 no hydrogen 3.240 N/A SER 231.A N GLN 227.A O no hydrogen 2.797 N/A SER 231.A OG LEU 103.A O no hydrogen 2.860 N/A SER 231.A OG ASP 106.A O no hydrogen 3.509 N/A SER 231.A OG GLN 227.A O no hydrogen 3.289 N/A SER 231.A OG GLN 227.A OE1 no hydrogen 3.536 N/A LEU 232.A N ALA 228.A O no hydrogen 2.685 N/A THR 233.A N ILE 229.A O no hydrogen 2.928 N/A THR 233.A OG1 ILE 229.A O no hydrogen 2.798 N/A GLU 234.A N ARG 230.A O no hydrogen 3.167 N/A ARG 235.A N SER 231.A O no hydrogen 2.831 N/A ARG 235.A NE THR 109.A O no hydrogen 2.695 N/A ARG 235.A NH1 ASP 102.A O no hydrogen 3.330 N/A ARG 235.A NH1 ASP 102.A OD2 no hydrogen 3.359 N/A ARG 235.A NH1 ASP 106.A O no hydrogen 3.034 N/A ARG 235.A NH2 ASP 102.A OD2 no hydrogen 2.772 N/A ARG 235.A NH2 THR 109.A O no hydrogen 3.546 N/A LEU 236.A N LEU 232.A O no hydrogen 3.163 N/A TYR 237.A N LEU 232.A O no hydrogen 2.969 N/A TYR 237.A OH GLU 147.A OE1 no hydrogen 2.720 N/A ILE 238.A N THR 233.A O no hydrogen 3.099 N/A GLY 239.A N LEU 236.A O no hydrogen 3.408 N/A GLY 240.A N ARG 253.A O no hydrogen 3.147 N/A LEU 242.A N GLY 251.A O no hydrogen 2.820 N/A THR 243.A OG1 ASP 112.A OD1 no hydrogen 2.852 N/A THR 243.A OG1 ASP 112.A OD2 no hydrogen 3.416 N/A ASN 244.A N GLN 248.A O no hydrogen 3.134 N/A ASN 244.A ND2 LEU 10.A O no hydrogen 2.667 N/A SER 245.A OG THR 12.A O no hydrogen 2.758 N/A SER 245.A OG THR 12.A OG1 no hydrogen 2.845 N/A SER 245.A OG PRO 13.A O no hydrogen 2.847 N/A GLY 247.A N ASN 244.A OD1 no hydrogen 3.251 N/A GLN 248.A N ASN 244.A OD1 no hydrogen 3.035 N/A ASN 249.A ND2 LEU 242.A O no hydrogen 3.312 N/A CYS 250.A N LEU 242.A O no hydrogen 2.994 N/A CYS 250.A SG ALA 9.A O no hydrogen 3.130 N/A TYR 252.A N THR 5.A O no hydrogen 2.608 N/A ARG 253.A N GLY 240.A O no hydrogen 2.912 N/A ARG 253.A NH1 LEU 236.A O no hydrogen 3.266 N/A ARG 253.A NH1 TYR 237.A O no hydrogen 3.388 N/A ARG 253.A NH1 CYS 255.A O no hydrogen 2.831 N/A ARG 253.A NH2 LEU 236.A O no hydrogen 2.696 N/A ARG 254.A N SER 3.A O no hydrogen 2.854 N/A ARG 254.A NH1 THR 5.A OG1 no hydrogen 3.257 N/A CYS 255.A SG SER 3.A O no hydrogen 3.690 N/A CYS 255.A SG ARG 256.A O no hydrogen 3.907 N/A ARG 256.A N ASP 201.A O no hydrogen 3.209 N/A ARG 256.A NE ASN 267.A OD1 no hydrogen 2.815 N/A ARG 256.A NH1 GLU 212.A OE1 no hydrogen 3.042 N/A ARG 256.A NH1 GLU 212.A OE2 no hydrogen 3.433 N/A ARG 256.A NH2 GLU 212.A OE2 no hydrogen 2.712 N/A ARG 256.A NH2 ASN 267.A OD1 no hydrogen 3.150 N/A SER 258.A OG LEU 135.A O no hydrogen 3.485 N/A GLY 259.A N VAL 137.A O no hydrogen 2.708 N/A LEU 261.A N GLU 147.A OE1 no hydrogen 2.833 N/A THR 263.A N VAL 260.A O no hydrogen 3.355 N/A THR 263.A OG1 ALA 257.A O no hydrogen 2.589 N/A THR 263.A OG1 SER 258.A O no hydrogen 3.208 N/A THR 263.A OG1 VAL 260.A O no hydrogen 3.062 N/A CYS 265.A SG TYR 216.A OH no hydrogen 3.822 N/A GLY 266.A N THR 262.A O no hydrogen 2.563 N/A ASN 267.A N THR 263.A O no hydrogen 2.834 N/A ASN 267.A ND2 ASP 201.A OD1 no hydrogen 2.965 N/A THR 268.A N SER 264.A O no hydrogen 3.031 N/A THR 268.A OG1 SER 264.A O no hydrogen 2.692 N/A LEU 269.A N CYS 265.A O no hydrogen 3.085 N/A THR 270.A N GLY 266.A O no hydrogen 2.766 N/A THR 270.A OG1 GLU 212.A OE2 no hydrogen 2.978 N/A THR 270.A OG1 GLY 266.A O no hydrogen 3.380 N/A CYS 271.A N ASN 267.A O no hydrogen 2.742 N/A CYS 271.A SG ASP 294.A O no hydrogen 3.977 N/A TYR 272.A N THR 268.A O no hydrogen 2.790 N/A LEU 273.A N LEU 269.A O no hydrogen 2.979 N/A LYS 274.A N THR 270.A O no hydrogen 2.986 N/A LYS 274.A NZ ASP 208.A OD2 no hydrogen 2.857 N/A LYS 274.A NZ TYR 322.A O no hydrogen 3.179 N/A LYS 274.A NZ SER 323.A O no hydrogen 3.358 N/A ALA 275.A N CYS 271.A O no hydrogen 2.898 N/A ALA 276.A N TYR 272.A O no hydrogen 2.793 N/A ALA 277.A N LEU 273.A O no hydrogen 3.016 N/A ALA 278.A N LYS 274.A O no hydrogen 2.854 N/A CYS 279.A N ALA 275.A O no hydrogen 2.867 N/A CYS 279.A SG ALA 275.A O no hydrogen 3.195 N/A ARG 280.A N ALA 277.A O no hydrogen 3.157 N/A ARG 280.A NH1 GLU 47.A OE2 no hydrogen 3.238 N/A ARG 280.A NH2 GLU 47.A OE1 no hydrogen 2.748 N/A ARG 280.A NH2 GLU 47.A OE2 no hydrogen 3.456 N/A ALA 281.A N ALA 277.A O no hydrogen 3.272 N/A ALA 282.A N ALA 278.A O no hydrogen 3.060 N/A LYS 283.A N ARG 280.A O no hydrogen 3.166 N/A LEU 284.A N CYS 279.A O no hydrogen 3.101 N/A CYS 287.A SG LEU 284.A O no hydrogen 3.809 N/A THR 288.A N ILE 299.A O no hydrogen 2.797 N/A LEU 290.A N VAL 297.A O no hydrogen 2.926 N/A VAL 291.A N SER 166.A O no hydrogen 2.849 N/A CYS 292.A N ASP 295.A O no hydrogen 2.804 N/A ASP 295.A N CYS 292.A O no hydrogen 3.131 N/A VAL 297.A N LEU 290.A O no hydrogen 3.016 N/A VAL 298.A N PHE 193.A O no hydrogen 2.840 N/A ILE 299.A N THR 288.A O no hydrogen 2.966 N/A CYS 300.A N MET 191.A O no hydrogen 3.137 N/A CYS 300.A SG MET 191.A O no hydrogen 3.331 N/A CYS 300.A SG GLU 301.A O no hydrogen 3.999 N/A GLU 301.A N GLN 285.A O no hydrogen 3.025 N/A SER 302.A N CYS 189.A O no hydrogen 2.728 N/A SER 302.A OG ASP 308.A OD2 no hydrogen 2.525 N/A ALA 303.A N ASP 308.A OD1 no hydrogen 3.061 N/A GLY 304.A N SER 302.A OG no hydrogen 3.393 N/A GLU 307.A N GLU 307.A OE1 no hydrogen 2.786 N/A ASP 308.A N GLY 304.A O no hydrogen 2.802 N/A GLU 309.A N THR 305.A O no hydrogen 3.211 N/A ALA 310.A N GLN 306.A O no hydrogen 3.146 N/A SER 311.A N GLU 307.A O no hydrogen 2.892 N/A SER 311.A OG ASP 308.A O no hydrogen 3.116 N/A LEU 312.A N ASP 308.A O no hydrogen 2.944 N/A ARG 313.A N GLU 309.A O no hydrogen 3.262 N/A ARG 313.A N ALA 310.A O no hydrogen 3.125 N/A ALA 314.A N ALA 310.A O no hydrogen 3.047 N/A PHE 315.A N SER 311.A O no hydrogen 2.926 N/A THR 316.A N LEU 312.A O no hydrogen 3.121 N/A THR 316.A OG1 LEU 312.A O no hydrogen 2.966 N/A GLU 317.A N ARG 313.A O no hydrogen 2.808 N/A ALA 318.A N ALA 314.A O no hydrogen 2.981 N/A MET 319.A N PHE 315.A O no hydrogen 2.862 N/A THR 320.A N THR 316.A O no hydrogen 2.822 N/A THR 320.A OG1 THR 316.A O no hydrogen 2.784 N/A ARG 321.A N GLU 317.A O no hydrogen 2.895 N/A TYR 322.A N ALA 318.A O no hydrogen 3.072 N/A TYR 322.A OH ASP 38.A OD1 no hydrogen 2.611 N/A TYR 322.A OH ASP 38.A OD2 no hydrogen 3.134 N/A SER 323.A N THR 320.A O no hydrogen 3.081 N/A SER 323.A OG THR 203.A O no hydrogen 3.124 N/A GLY 327.A N ASP 196.A O no hydrogen 3.018 N/A GLU 333.A N GLY 192.A O no hydrogen 2.904 N/A TYR 334.A OH ASP 308.A OD2 no hydrogen 3.028 N/A GLU 337.A N ASP 335.A OD1 no hydrogen 3.423 N/A LEU 338.A N ASP 335.A O no hydrogen 3.247 N/A SER 341.A N SER 344.A O no hydrogen 2.974 N/A CYS 342.A N ASP 295.A OD1 no hydrogen 2.946 N/A CYS 342.A SG ASP 295.A OD2 no hydrogen 3.714 N/A SER 344.A N SER 341.A O no hydrogen 3.104 N/A SER 344.A OG SER 341.A O no hydrogen 3.296 N/A SER 344.A OG CYS 342.A O no hydrogen 2.999 N/A SER 344.A OG TYR 391.A OH no hydrogen 3.282 N/A ASN 345.A N THR 361.A O no hydrogen 2.754 N/A SER 347.A N TYR 359.A O no hydrogen 2.698 N/A SER 347.A OG TYR 359.A OH no hydrogen 3.428 N/A ALA 349.A N VAL 357.A O no hydrogen 2.967 N/A HIS 350.A N HIS 451.A O no hydrogen 2.875 N/A HIS 350.A ND1 GLY 354.A O no hydrogen 2.947 N/A ASP 351.A N LYS 355.A O no hydrogen 3.125 N/A SER 353.A OG ASP 351.A OD1 no hydrogen 2.912 N/A SER 353.A OG ASP 351.A OD2 no hydrogen 2.928 N/A GLY 354.A N ASP 351.A O no hydrogen 2.901 N/A ARG 356.A NH1 TYR 358.A OH no hydrogen 2.753 N/A VAL 357.A N ALA 349.A O no hydrogen 2.748 N/A TYR 359.A N SER 347.A O no hydrogen 2.758 N/A THR 361.A N ASN 345.A O no hydrogen 3.042 N/A THR 361.A OG1 ARG 362.A O no hydrogen 3.569 N/A THR 361.A OG1 GLU 457.A OE1 no hydrogen 3.416 N/A THR 361.A OG1 GLU 457.A OE2 no hydrogen 3.212 N/A ARG 362.A NE ASP 363.A O no hydrogen 3.344 N/A THR 365.A OG1 ASP 363.A OD2 no hydrogen 2.840 N/A LEU 368.A N PRO 364.A O no hydrogen 2.944 N/A ALA 369.A N THR 365.A O no hydrogen 2.896 N/A ARG 370.A N THR 366.A O no hydrogen 2.854 N/A ARG 370.A NE VAL 121.A O no hydrogen 2.658 N/A ALA 371.A N PRO 367.A O no hydrogen 3.034 N/A ALA 372.A N LEU 368.A O no hydrogen 2.927 N/A TRP 373.A N ALA 369.A O no hydrogen 3.011 N/A GLU 374.A N ARG 370.A O no hydrogen 3.033 N/A THR 375.A N ALA 371.A O no hydrogen 3.018 N/A THR 375.A OG1 ALA 371.A O no hydrogen 3.073 N/A ALA 376.A N ALA 372.A O no hydrogen 3.399 N/A THR 379.A OG1 VAL 381.A O no hydrogen 2.669 N/A VAL 381.A N THR 379.A OG1 no hydrogen 2.972 N/A SER 383.A N GLU 374.A OE2 no hydrogen 3.432 N/A SER 383.A OG GLU 374.A OE1 no hydrogen 2.692 N/A SER 383.A OG GLU 374.A OE2 no hydrogen 3.303 N/A TRP 384.A N GLU 374.A OE1 no hydrogen 3.184 N/A GLY 386.A N ASN 382.A O no hydrogen 3.421 N/A ASN 387.A N SER 383.A O no hydrogen 2.881 N/A ILE 388.A N TRP 384.A O no hydrogen 2.811 N/A ILE 389.A N LEU 385.A O no hydrogen 2.958 N/A MET 390.A N GLY 386.A O no hydrogen 2.763 N/A TYR 391.A N ASN 387.A O no hydrogen 2.715 N/A TYR 391.A OH SER 344.A OG no hydrogen 3.282 N/A THR 394.A N TYR 391.A O no hydrogen 3.180 N/A THR 394.A OG1 TYR 391.A O no hydrogen 3.000 N/A TRP 396.A NE1 THR 361.A OG1 no hydrogen 3.266 N/A ALA 397.A N THR 394.A OG1 no hydrogen 3.155 N/A ARG 398.A N THR 394.A O no hydrogen 3.296 N/A ARG 398.A NH1 LEU 450.A O no hydrogen 2.895 N/A ARG 398.A NH1 TYR 453.A OH no hydrogen 2.911 N/A MET 399.A N LEU 395.A O no hydrogen 3.019 N/A ILE 400.A N TRP 396.A O no hydrogen 2.876 N/A LEU 401.A N TRP 396.A O no hydrogen 3.466 N/A MET 402.A N ALA 397.A O no hydrogen 2.890 N/A THR 403.A OG1 MET 399.A O no hydrogen 2.663 N/A HIS 404.A N ILE 400.A O no hydrogen 2.933 N/A PHE 405.A N LEU 401.A O no hydrogen 3.072 N/A PHE 406.A N MET 402.A O no hydrogen 3.044 N/A SER 407.A N THR 403.A O no hydrogen 3.142 N/A SER 407.A OG THR 403.A O no hydrogen 2.982 N/A SER 407.A OG HIS 404.A O no hydrogen 2.704 N/A ILE 408.A N HIS 404.A O no hydrogen 3.164 N/A LEU 409.A N PHE 405.A O no hydrogen 2.808 N/A LEU 410.A N PHE 406.A O no hydrogen 2.855 N/A ALA 411.A N SER 407.A O no hydrogen 3.160 N/A GLN 412.A N ILE 408.A O no hydrogen 2.976 N/A GLN 412.A NE2 GLN 414.A OE1 no hydrogen 2.905 N/A GLU 413.A N LEU 410.A O no hydrogen 3.345 N/A GLN 414.A N LEU 409.A O no hydrogen 3.001 N/A LYS 417.A N GLN 414.A O no hydrogen 3.174 N/A LEU 419.A N ILE 430.A O no hydrogen 2.975 N/A CYS 421.A N TYR 428.A O no hydrogen 2.877 N/A ILE 423.A N ALA 426.A O no hydrogen 2.918 N/A CYS 427.A N ALA 529.A O no hydrogen 3.010 N/A CYS 427.A SG CYS 421.A O no hydrogen 3.907 N/A TYR 428.A N CYS 421.A O no hydrogen 2.810 N/A SER 429.A N TRP 526.A O no hydrogen 2.919 N/A ILE 430.A N LEU 419.A O no hydrogen 2.991 N/A ASP 434.A N GLU 431.A O no hydrogen 2.785 N/A LEU 435.A N PRO 432.A O no hydrogen 3.057 N/A GLN 437.A NE2 LEU 433.A O no hydrogen 3.236 N/A ILE 438.A N ASP 434.A O no hydrogen 3.343 N/A ILE 439.A N LEU 435.A O no hydrogen 2.762 N/A GLN 440.A N PRO 436.A O no hydrogen 2.926 N/A ARG 441.A N GLN 437.A O no hydrogen 3.131 N/A LEU 442.A N ILE 438.A O no hydrogen 2.881 N/A HIS 443.A N ILE 439.A O no hydrogen 2.820 N/A HIS 443.A NE2 ILE 389.A O no hydrogen 2.620 N/A GLY 444.A N GLN 440.A O no hydrogen 2.788 N/A ALA 447.A N GLY 444.A O no hydrogen 3.289 N/A PHE 448.A N LEU 445.A O no hydrogen 3.173 N/A SER 449.A N SER 446.A O no hydrogen 3.035 N/A SER 449.A OG SER 446.A O no hydrogen 3.422 N/A HIS 451.A N HIS 350.A O no hydrogen 2.940 N/A HIS 451.A NE2 ASP 351.A O no hydrogen 3.088 N/A TYR 453.A OH PRO 393.A O no hydrogen 2.651 N/A ILE 458.A N SER 454.A O no hydrogen 2.926 N/A ASN 459.A N PRO 455.A O no hydrogen 2.854 N/A ARG 460.A N GLY 456.A O no hydrogen 2.739 N/A ARG 460.A NH1 ASN 345.A OD1 no hydrogen 3.441 N/A ARG 460.A NH2 GLU 457.A OE1 no hydrogen 3.249 N/A VAL 461.A N GLU 457.A O no hydrogen 3.079 N/A ALA 462.A N ILE 458.A O no hydrogen 2.928 N/A SER 463.A N ASN 459.A O no hydrogen 2.832 N/A SER 463.A OG ASN 459.A O no hydrogen 2.786 N/A SER 463.A OG ARG 460.A O no hydrogen 3.327 N/A CYS 464.A N ARG 460.A O no hydrogen 3.247 N/A CYS 464.A SG THR 365.A OG1 no hydrogen 3.423 N/A LEU 465.A N VAL 461.A O no hydrogen 2.939 N/A ARG 466.A N ALA 462.A O no hydrogen 3.249 N/A LYS 467.A N SER 463.A O no hydrogen 3.080 N/A LYS 467.A NZ THR 365.A OG1 no hydrogen 2.802 N/A LEU 468.A N CYS 464.A O no hydrogen 3.060 N/A GLY 469.A N ARG 466.A O no hydrogen 3.082 N/A VAL 470.A N LEU 465.A O no hydrogen 2.908 N/A TRP 476.A N PRO 472.A O no hydrogen 3.290 N/A ARG 477.A N LEU 473.A O no hydrogen 2.880 N/A ARG 477.A NH1 TRP 504.A O no hydrogen 3.290 N/A ARG 477.A NH1 VAL 506.A O no hydrogen 3.423 N/A HIS 478.A N ARG 474.A O no hydrogen 3.185 N/A ARG 479.A N VAL 475.A O no hydrogen 2.989 N/A ALA 480.A N TRP 476.A O no hydrogen 2.900 N/A ARG 481.A N ARG 477.A O no hydrogen 3.292 N/A ARG 481.A N HIS 478.A O no hydrogen 3.167 N/A SER 482.A OG HIS 478.A O no hydrogen 3.482 N/A VAL 483.A N ARG 479.A O no hydrogen 3.272 N/A ARG 484.A N ALA 480.A O no hydrogen 2.725 N/A ALA 485.A N ARG 481.A O no hydrogen 2.968 N/A ARG 486.A N SER 482.A O no hydrogen 3.042 N/A ARG 486.A NE SER 482.A O no hydrogen 3.372 N/A LEU 487.A N VAL 483.A O no hydrogen 2.841 N/A LEU 487.A N ARG 484.A O no hydrogen 3.182 N/A LEU 488.A N ARG 484.A O no hydrogen 3.027 N/A SER 489.A N ALA 485.A O no hydrogen 3.137 N/A SER 489.A OG ARG 486.A O no hydrogen 2.877 N/A GLN 490.A N LEU 487.A O no hydrogen 2.981 N/A GLY 491.A N LEU 488.A O no hydrogen 3.353 N/A ARG 493.A NH1 GLU 431.A OE1 no hydrogen 3.050 N/A ARG 493.A NH2 GLU 431.A OE1 no hydrogen 2.998 N/A THR 496.A N GLY 492.A O no hydrogen 3.285 N/A THR 496.A N ARG 493.A O no hydrogen 3.147 N/A THR 496.A OG1 GLY 492.A O no hydrogen 3.041 N/A CYS 497.A N ARG 493.A O no hydrogen 3.332 N/A CYS 497.A SG PRO 432.A O no hydrogen 3.992 N/A CYS 497.A SG LEU 433.A O no hydrogen 3.578 N/A CYS 497.A SG ARG 493.A O no hydrogen 3.526 N/A GLY 498.A N ALA 494.A O no hydrogen 3.231 N/A LYS 499.A N ALA 495.A O no hydrogen 2.973 N/A LYS 499.A NZ TYR 500.A OH no hydrogen 3.134 N/A TYR 500.A N THR 496.A O no hydrogen 2.930 N/A TYR 500.A OH THR 513.A O no hydrogen 2.490 N/A ASN 503.A N TYR 500.A O no hydrogen 3.500 N/A ASN 503.A ND2 LEU 510.A O no hydrogen 3.606 N/A ALA 505.A N PHE 502.A O no hydrogen 3.096 N/A VAL 506.A N ASN 503.A O no hydrogen 3.286 N/A LYS 509.A NZ ASN 503.A O no hydrogen 3.144 N/A LYS 509.A NZ TRP 504.A O no hydrogen 3.044 N/A LYS 509.A NZ VAL 506.A O no hydrogen 2.756 N/A LEU 510.A N ASN 503.A OD1 no hydrogen 3.325 N/A ILE 515.A N GLN 440.A OE1 no hydrogen 2.768 N/A GLN 520.A N ALA 517.A O no hydrogen 3.288 N/A VAL 528.A N CYS 427.A O no hydrogen 3.116 N/A