Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3opz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 375.A OE2 no hydrogen 3.222 N/A SER 6.A OG GLU 375.A OE1 no hydrogen 2.658 N/A SER 7.A N ARG 371.A O no hydrogen 3.360 N/A ARG 8.A NH1 GLU 339.A OE1 no hydrogen 3.024 N/A ARG 8.A NH2 GLU 339.A OE1 no hydrogen 3.274 N/A ARG 8.A NH2 GLU 339.A OE2 no hydrogen 2.912 N/A VAL 9.A N PHE 369.A O no hydrogen 3.083 N/A PHE 12.A N LEU 367.A O no hydrogen 3.126 N/A LYS 13.A N SER 17.A OG no hydrogen 2.611 N/A ARG 14.A N SER 366.A OG no hydrogen 2.653 N/A ARG 14.A NH1 VAL 364.A O no hydrogen 3.045 N/A GLN 15.A N VAL 32.A O no hydrogen 2.769 N/A GLN 15.A N HIS 33.A O no hydrogen 3.168 N/A SER 16.A N LYS 13.A O no hydrogen 3.166 N/A SER 17.A N LYS 13.A O no hydrogen 2.873 N/A SER 17.A OG LYS 13.A O no hydrogen 3.102 N/A VAL 19.A N ARG 30.A O no hydrogen 2.839 N/A PHE 21.A N THR 28.A O no hydrogen 2.801 N/A LYS 23.A N LYS 26.A O no hydrogen 2.882 N/A LYS 26.A N LYS 23.A O no hydrogen 3.079 N/A THR 28.A N PHE 21.A O no hydrogen 2.673 N/A ARG 30.A N VAL 19.A O no hydrogen 2.875 N/A VAL 32.A N SER 17.A O no hydrogen 3.195 N/A HIS 33.A N ARG 54.A O no hydrogen 2.957 N/A HIS 33.A N TYR 55.A O no hydrogen 3.047 N/A HIS 33.A ND1 SER 34.A OG no hydrogen 2.834 N/A SER 34.A N ARG 54.A O no hydrogen 3.003 N/A SER 34.A OG HIS 33.A ND1 no hydrogen 2.834 N/A PHE 35.A N TYR 365.A O no hydrogen 2.869 N/A ARG 36.A N ASP 52.A O no hydrogen 3.244 N/A ARG 36.A NE GLU 358.A OE1 no hydrogen 2.815 N/A ARG 36.A NH1 GLU 358.A OE1 no hydrogen 3.277 N/A ARG 36.A NH1 GLU 358.A OE2 no hydrogen 3.055 N/A LEU 37.A N GLU 358.A OE1 no hydrogen 3.224 N/A ALA 39.A N ILE 50.A O no hydrogen 2.865 N/A LEU 40.A N SER 345.A OG no hydrogen 3.060 N/A VAL 41.A N VAL 48.A O no hydrogen 2.827 N/A VAL 43.A N VAL 46.A O no hydrogen 2.869 N/A GLY 45.A N ASN 42.A OD1 no hydrogen 2.974 N/A VAL 46.A N VAL 43.A O no hydrogen 2.836 N/A MET 47.A N SER 71.A O no hydrogen 3.146 N/A VAL 48.A N VAL 41.A O no hydrogen 3.009 N/A ALA 49.A N LYS 69.A O no hydrogen 2.815 N/A ILE 50.A N ALA 39.A O no hydrogen 2.834 N/A ALA 51.A N VAL 67.A O no hydrogen 2.978 N/A ASP 52.A N ARG 36.A O no hydrogen 2.791 N/A ALA 53.A N ASP 65.A O no hydrogen 2.793 N/A ARG 54.A N SER 34.A O no hydrogen 2.866 N/A ARG 54.A NE ASP 52.A OD2 no hydrogen 3.332 N/A ARG 54.A NH1 SER 58.A O no hydrogen 2.791 N/A ARG 54.A NH1 ASP 60.A OD2 no hydrogen 3.469 N/A ARG 54.A NH2 ASP 52.A OD2 no hydrogen 2.857 N/A TYR 55.A N LEU 63.A O no hydrogen 3.185 N/A TYR 55.A OH ASP 65.A OD2 no hydrogen 2.640 N/A SER 58.A OG GLU 363.A O no hydrogen 3.015 N/A PHE 59.A N THR 57.A OG1 no hydrogen 3.350 N/A SER 62.A OG PHE 59.A O no hydrogen 2.967 N/A ILE 64.A N SER 93.A O no hydrogen 3.236 N/A ASP 65.A N ALA 53.A O no hydrogen 3.060 N/A THR 66.A N ILE 84.A O no hydrogen 2.811 N/A VAL 67.A N ALA 51.A O no hydrogen 2.971 N/A ALA 68.A N GLN 81.A O no hydrogen 2.739 N/A LYS 69.A N ALA 49.A O no hydrogen 2.837 N/A LYS 69.A NZ THR 80.A OG1 no hydrogen 2.768 N/A TYR 70.A N GLU 79.A O no hydrogen 2.916 N/A TYR 70.A OH ALA 150.A O no hydrogen 3.351 N/A SER 71.A N MET 47.A O no hydrogen 2.870 N/A SER 71.A OG ASP 73.A OD1 no hydrogen 2.791 N/A SER 71.A OG THR 77.A O no hydrogen 3.079 N/A ASP 73.A N SER 71.A OG no hydrogen 3.046 N/A GLY 75.A N SER 71.A OG no hydrogen 2.763 N/A GLU 76.A N ASP 73.A O no hydrogen 3.352 N/A THR 77.A N ASP 73.A OD1 no hydrogen 2.994 N/A THR 77.A OG1 ASP 73.A OD2 no hydrogen 2.811 N/A TRP 78.A NE1 GLY 75.A O no hydrogen 2.977 N/A GLU 79.A N TYR 70.A O no hydrogen 2.893 N/A GLN 81.A N ALA 68.A O no hydrogen 2.779 N/A GLN 81.A NE2 ILE 152.A O no hydrogen 3.441 N/A ALA 83.A N THR 66.A O no hydrogen 2.616 N/A ILE 84.A N THR 66.A O no hydrogen 3.446 N/A ASN 86.A N ASP 65.A OD1 no hydrogen 2.885 N/A SER 87.A OG SER 93.A OG no hydrogen 3.240 N/A SER 87.A OG ASN 115.A OD1 no hydrogen 3.025 N/A ARG 88.A NE GLU 22.A O no hydrogen 2.859 N/A ARG 88.A NH1 ASP 65.A OD1 no hydrogen 2.859 N/A ARG 88.A NH1 ASP 65.A OD2 no hydrogen 3.294 N/A ARG 88.A NH2 GLU 22.A O no hydrogen 2.916 N/A ARG 88.A NH2 ASP 65.A OD1 no hydrogen 3.554 N/A ARG 88.A NH2 ASP 65.A OD2 no hydrogen 2.812 N/A SER 90.A N SER 93.A OG no hydrogen 2.817 N/A SER 90.A OG ASN 115.A O no hydrogen 2.576 N/A VAL 92.A N SER 90.A OG no hydrogen 3.076 N/A SER 93.A N SER 90.A O no hydrogen 3.289 N/A SER 93.A OG SER 87.A OG no hydrogen 3.240 N/A SER 93.A OG SER 90.A O no hydrogen 3.319 N/A SER 93.A OG ASN 115.A O no hydrogen 2.724 N/A ARG 94.A N TYR 114.A O no hydrogen 2.989 N/A ARG 94.A NH1 VAL 92.A O no hydrogen 2.906 N/A ARG 94.A NH1 SER 117.A O no hydrogen 3.104 N/A ARG 94.A NH2 SER 117.A OG no hydrogen 2.953 N/A VAL 95.A N ILE 64.A O no hydrogen 3.093 N/A VAL 96.A N GLY 112.A O no hydrogen 2.892 N/A THR 99.A N LEU 110.A O no hydrogen 3.033 N/A THR 99.A OG1 ASP 97.A O no hydrogen 3.099 N/A VAL 100.A N GLY 181.A O no hydrogen 2.821 N/A ILE 101.A N TYR 108.A O no hydrogen 2.831 N/A LYS 103.A N LYS 106.A O no hydrogen 3.052 N/A LYS 103.A NZ GLY 189.A O no hydrogen 3.172 N/A LYS 103.A NZ GLU 214.A OE1 no hydrogen 2.851 N/A LYS 103.A NZ GLU 214.A OE2 no hydrogen 3.237 N/A ASN 105.A ND2 VAL 139.A O no hydrogen 2.833 N/A LYS 106.A N LYS 103.A O no hydrogen 2.888 N/A LEU 107.A N GLY 137.A O no hydrogen 2.824 N/A TYR 108.A N ILE 101.A O no hydrogen 2.857 N/A TYR 108.A OH GLU 214.A O no hydrogen 3.206 N/A VAL 109.A N ALA 135.A O no hydrogen 2.868 N/A LEU 110.A N THR 99.A O no hydrogen 2.862 N/A VAL 111.A N LEU 133.A O no hydrogen 2.968 N/A GLY 112.A N VAL 96.A O no hydrogen 2.914 N/A SER 113.A N ASP 131.A O no hydrogen 2.725 N/A TYR 114.A N ARG 94.A O no hydrogen 2.947 N/A ASN 115.A N ASP 129.A OD1 no hydrogen 3.085 N/A ASN 115.A N ASP 129.A OD2 no hydrogen 3.032 N/A SER 116.A N ASP 129.A OD1 no hydrogen 2.957 N/A SER 116.A N ASP 129.A OD2 no hydrogen 3.254 N/A SER 117.A N ASP 129.A OD2 no hydrogen 2.982 N/A SER 117.A OG HIS 124.A NE2 no hydrogen 3.122 N/A SER 117.A OG ASP 129.A OD2 no hydrogen 2.746 N/A SER 119.A OG HIS 124.A ND1 no hydrogen 3.088 N/A SER 123.A N TYR 120.A O no hydrogen 2.988 N/A SER 123.A OG TYR 120.A O no hydrogen 2.878 N/A HIS 124.A N TRP 121.A O no hydrogen 3.303 N/A HIS 124.A NE2 SER 117.A OG no hydrogen 3.122 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 3.101 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 2.884 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 2.904 N/A TRP 130.A N ALA 127.A O no hydrogen 3.006 N/A TRP 130.A NE1 PHE 176.A O no hydrogen 2.951 N/A ASP 131.A N SER 113.A O no hydrogen 2.879 N/A ILE 132.A N ASP 131.A OD1 no hydrogen 2.730 N/A LEU 133.A N VAL 111.A O no hydrogen 2.738 N/A LEU 134.A N VAL 158.A O no hydrogen 2.690 N/A ALA 135.A N VAL 109.A O no hydrogen 2.953 N/A GLY 137.A N LEU 107.A O no hydrogen 2.778 N/A GLU 138.A N LYS 153.A O no hydrogen 2.834 N/A VAL 139.A N ASN 105.A O no hydrogen 2.887 N/A THR 140.A N SER 151.A O no hydrogen 2.909 N/A LYS 141.A NZ ASP 44.A O no hydrogen 2.875 N/A SER 142.A N THR 149.A O no hydrogen 2.949 N/A LYS 147.A N ALA 144.A O no hydrogen 2.611 N/A THR 149.A N SER 142.A O no hydrogen 3.088 N/A THR 149.A OG1 LYS 147.A O no hydrogen 3.249 N/A SER 151.A N THR 140.A O no hydrogen 3.041 N/A LYS 153.A N GLU 138.A O no hydrogen 3.063 N/A TRP 154.A NE1 GLN 81.A OE1 no hydrogen 2.913 N/A GLY 155.A N VAL 136.A O no hydrogen 2.740 N/A VAL 158.A N LEU 134.A O no hydrogen 2.880 N/A SER 159.A OG ASP 131.A OD1 no hydrogen 2.727 N/A SER 159.A OG ASP 131.A OD2 no hydrogen 3.194 N/A LEU 160.A N ILE 132.A O no hydrogen 2.834 N/A LYS 161.A N SER 159.A OG no hydrogen 3.205 N/A LYS 161.A NZ TRP 130.A O no hydrogen 2.978 N/A PHE 163.A N LEU 160.A O no hydrogen 2.868 N/A PHE 164.A N LYS 161.A O no hydrogen 2.851 N/A MET 168.A N MET 171.A O no hydrogen 3.205 N/A MET 171.A N MET 168.A O no hydrogen 2.861 N/A THR 173.A N ALA 166.A O no hydrogen 3.007 N/A THR 173.A OG1 PRO 165.A O no hydrogen 2.593 N/A THR 173.A OG1 ALA 166.A O no hydrogen 3.233 N/A ASN 174.A N THR 198.A O no hydrogen 2.893 N/A ASN 174.A ND2 ASN 199.A O no hydrogen 3.300 N/A GLN 175.A N THR 198.A OG1 no hydrogen 3.193 N/A LEU 177.A N GLN 196.A O no hydrogen 2.769 N/A ALA 180.A N THR 99.A OG1 no hydrogen 2.904 N/A ALA 183.A N VAL 100.A O no hydrogen 2.709 N/A ILE 184.A N VAL 192.A O no hydrogen 3.358 N/A ALA 186.A N ASN 190.A O no hydrogen 2.869 N/A SER 187.A N GLU 236.A OE2 no hydrogen 2.669 N/A SER 187.A OG GLU 236.A OE1 no hydrogen 3.060 N/A SER 187.A OG GLU 236.A OE2 no hydrogen 3.202 N/A GLY 189.A N ALA 186.A O no hydrogen 2.584 N/A ASN 190.A N ASN 188.A OD1 no hydrogen 3.154 N/A LEU 191.A N SER 211.A O no hydrogen 2.912 N/A VAL 192.A N ILE 184.A O no hydrogen 2.982 N/A TYR 193.A N PHE 209.A O no hydrogen 2.905 N/A TYR 193.A OH THR 99.A O no hydrogen 3.059 N/A VAL 195.A N LYS 207.A O no hydrogen 2.902 N/A GLN 196.A N LEU 177.A O no hydrogen 2.709 N/A GLN 196.A NE2 GLY 178.A O no hydrogen 2.933 N/A VAL 197.A N PHE 205.A O no hydrogen 2.711 N/A THR 198.A N GLN 175.A O no hydrogen 2.849 N/A THR 198.A OG1 GLN 175.A O no hydrogen 3.413 N/A ASN 199.A N GLN 203.A O no hydrogen 3.242 N/A ASN 199.A ND2 GLN 203.A OE1 no hydrogen 3.113 N/A LYS 200.A N HIS 172.A O no hydrogen 3.040 N/A LYS 200.A NZ ASN 174.A OD1 no hydrogen 3.345 N/A LYS 202.A N ASN 199.A O no hydrogen 2.969 N/A LYS 202.A NZ SER 123.A O no hydrogen 2.885 N/A GLN 203.A N ASN 199.A OD1 no hydrogen 2.880 N/A PHE 205.A N VAL 197.A O no hydrogen 2.834 N/A SER 206.A N SER 225.A OG no hydrogen 2.681 N/A SER 206.A OG CYS 229.A O no hydrogen 3.114 N/A LYS 207.A N VAL 195.A O no hydrogen 2.892 N/A LYS 207.A NZ GLY 221.A O no hydrogen 3.209 N/A LYS 207.A NZ LYS 222.A O no hydrogen 2.983 N/A LYS 207.A NZ GLY 223.A O no hydrogen 3.335 N/A PHE 209.A N TYR 193.A O no hydrogen 2.926 N/A TYR 210.A N LYS 219.A O no hydrogen 2.837 N/A SER 211.A N LEU 191.A O no hydrogen 2.833 N/A SER 211.A OG ASP 213.A OD2 no hydrogen 2.629 N/A SER 211.A OG THR 217.A O no hydrogen 2.683 N/A ASP 213.A N SER 211.A OG no hydrogen 3.200 N/A GLY 215.A N SER 211.A OG no hydrogen 2.933 N/A LYS 216.A N ASP 213.A O no hydrogen 3.419 N/A THR 217.A N ASP 213.A OD2 no hydrogen 2.881 N/A THR 217.A OG1 ASP 213.A OD1 no hydrogen 2.687 N/A THR 217.A OG1 ASP 213.A OD2 no hydrogen 3.384 N/A LYS 219.A N TYR 210.A O no hydrogen 2.733 N/A LYS 219.A NZ GLU 212.A OE1 no hydrogen 2.780 N/A LYS 219.A NZ GLU 212.A OE2 no hydrogen 3.339 N/A GLY 221.A N ILE 208.A O no hydrogen 2.887 N/A LYS 222.A N ASN 262.A OD1 no hydrogen 2.936 N/A GLY 223.A N GLY 261.A O no hydrogen 3.003 N/A ARG 224.A NH1 SER 225.A O no hydrogen 3.104 N/A SER 225.A N SER 206.A O no hydrogen 3.075 N/A SER 225.A OG ALA 226.A O no hydrogen 2.932 N/A ALA 226.A N TYR 255.A OH no hydrogen 2.952 N/A GLY 228.A N VAL 204.A O no hydrogen 2.585 N/A CYS 229.A SG ALA 226.A O no hydrogen 3.276 N/A CYS 229.A SG THR 245.A OG1 no hydrogen 3.482 N/A SER 230.A N ARG 246.A O no hydrogen 2.668 N/A SER 230.A OG ARG 246.A O no hydrogen 3.553 N/A GLU 231.A N GLN 196.A OE1 no hydrogen 3.202 N/A VAL 233.A N ASN 244.A O no hydrogen 2.951 N/A LEU 235.A N ILE 242.A O no hydrogen 3.000 N/A TRP 237.A N LYS 240.A O no hydrogen 2.712 N/A LYS 240.A N TRP 237.A O no hydrogen 3.250 N/A LEU 241.A N SER 257.A O no hydrogen 2.910 N/A ILE 242.A N LEU 235.A O no hydrogen 2.807 N/A ILE 243.A N TYR 255.A O no hydrogen 2.687 N/A ASN 244.A N VAL 233.A O no hydrogen 2.852 N/A THR 245.A N LEU 253.A O no hydrogen 2.877 N/A THR 245.A OG1 LEU 253.A O no hydrogen 2.904 N/A ARG 246.A N SER 230.A O no hydrogen 2.914 N/A ARG 246.A NE ASP 248.A OD2 no hydrogen 2.794 N/A ARG 246.A NH1 GLU 231.A OE1 no hydrogen 2.811 N/A ARG 246.A NH1 TYR 343.A OH no hydrogen 3.217 N/A ARG 246.A NH2 ASP 248.A OD2 no hydrogen 3.035 N/A TYR 249.A N GLN 283.A O no hydrogen 2.729 N/A ARG 250.A N VAL 247.A O no hydrogen 3.377 N/A ARG 251.A NE ARG 273.A O no hydrogen 2.949 N/A ARG 251.A NH1 ARG 273.A O no hydrogen 3.504 N/A ARG 251.A NH1 VAL 274.A O no hydrogen 2.873 N/A ARG 251.A NH1 GLN 463.A O no hydrogen 2.792 N/A ARG 252.A N TRP 275.A O no hydrogen 2.951 N/A ARG 252.A NE ASN 244.A OD1 no hydrogen 2.896 N/A ARG 252.A NH1 SER 286.A O no hydrogen 2.854 N/A ARG 252.A NH2 ASN 244.A OD1 no hydrogen 3.073 N/A VAL 254.A N SER 272.A OG no hydrogen 2.945 N/A TYR 255.A N ILE 243.A O no hydrogen 2.763 N/A GLU 256.A N LEU 265.A O no hydrogen 2.696 N/A SER 257.A N LEU 241.A O no hydrogen 2.791 N/A SER 257.A OG ASP 259.A OD1 no hydrogen 2.931 N/A SER 257.A OG THR 263.A O no hydrogen 2.642 N/A GLY 261.A N SER 257.A OG no hydrogen 2.954 N/A ASN 262.A N ASP 259.A O no hydrogen 3.043 N/A THR 263.A N ASP 259.A OD1 no hydrogen 2.755 N/A THR 263.A OG1 ASP 259.A OD1 no hydrogen 3.207 N/A THR 263.A OG1 ASP 259.A OD2 no hydrogen 3.045 N/A TRP 264.A NE1 GLY 261.A O no hydrogen 2.908 N/A LEU 265.A N GLU 256.A O no hydrogen 2.817 N/A ALA 267.A N VAL 254.A O no hydrogen 2.744 N/A VAL 268.A N GLU 266.A O no hydrogen 2.759 N/A THR 270.A N ALA 267.A O no hydrogen 3.177 N/A SER 272.A N ALA 267.A O no hydrogen 3.127 N/A SER 272.A OG VAL 254.A O no hydrogen 3.347 N/A SER 272.A OG GLU 266.A OE2 no hydrogen 2.534 N/A ARG 273.A N ARG 252.A O no hydrogen 2.829 N/A VAL 274.A N LEU 271.A O no hydrogen 3.180 N/A GLY 276.A N GLN 463.A O no hydrogen 3.111 N/A SER 278.A OG ASN 282.A OD1 no hydrogen 2.959 N/A SER 281.A N SER 278.A O no hydrogen 2.834 N/A SER 281.A OG SER 278.A O no hydrogen 3.562 N/A ASN 282.A N SER 278.A OG no hydrogen 3.371 N/A GLN 283.A NE2 ASN 282.A OD1 no hydrogen 3.076 N/A GLY 285.A N ASP 248.A OD2 no hydrogen 2.588 N/A SER 286.A OG GLN 287.A O no hydrogen 3.110 N/A GLN 287.A NE2 SER 344.A O no hydrogen 3.372 N/A SER 288.A OG THR 304.A O no hydrogen 2.821 N/A SER 289.A N THR 304.A OG1 no hydrogen 3.078 N/A THR 291.A N LEU 302.A O no hydrogen 2.979 N/A VAL 293.A N VAL 300.A O no hydrogen 2.818 N/A ILE 295.A N MET 298.A O no hydrogen 2.958 N/A MET 298.A N ILE 295.A O no hydrogen 2.915 N/A ARG 299.A NH1 THR 294.A OG1 no hydrogen 3.269 N/A VAL 300.A N VAL 293.A O no hydrogen 2.785 N/A MET 301.A N THR 323.A O no hydrogen 2.752 N/A LEU 302.A N THR 291.A O no hydrogen 2.915 N/A PHE 303.A N TRP 321.A O no hydrogen 2.988 N/A THR 304.A N SER 289.A O no hydrogen 3.014 N/A THR 304.A OG1 SER 344.A OG no hydrogen 2.875 N/A HIS 305.A N ASN 319.A O no hydrogen 3.131 N/A HIS 305.A ND1 PRO 306.A O no hydrogen 2.837 N/A LEU 307.A N ARG 317.A O no hydrogen 2.848 N/A ASN 308.A N ASP 316.A O no hydrogen 2.969 N/A ASN 308.A ND2 ARG 312.A O no hydrogen 3.133 N/A PHE 309.A N ASP 316.A OD1 no hydrogen 3.131 N/A LYS 310.A N ASP 316.A OD2 no hydrogen 2.803 N/A LYS 310.A NZ ASP 338.A O no hydrogen 2.843 N/A LYS 310.A NZ ASN 340.A OD1 no hydrogen 2.650 N/A GLY 311.A N ASN 308.A OD1 no hydrogen 2.841 N/A ARG 312.A N GLN 283.A OE1 no hydrogen 2.991 N/A LEU 314.A N GLY 311.A O no hydrogen 3.307 N/A ARG 315.A N ASN 308.A OD1 no hydrogen 3.089 N/A ARG 315.A NE TRP 313.A O no hydrogen 2.833 N/A ARG 315.A NH1 GLY 285.A O no hydrogen 3.012 N/A ARG 315.A NH1 TYR 343.A OH no hydrogen 3.260 N/A ARG 317.A NH1 ASP 316.A OD1 no hydrogen 2.616 N/A LEU 318.A N SER 335.A OG no hydrogen 3.153 N/A ASN 319.A N HIS 305.A O no hydrogen 3.025 N/A ASN 319.A ND2 ASN 330.A OD1 no hydrogen 2.511 N/A LEU 320.A N GLY 332.A O no hydrogen 2.791 N/A TRP 321.A N PHE 303.A O no hydrogen 2.594 N/A LEU 322.A N TYR 329.A O no hydrogen 2.738 N/A THR 323.A N MET 301.A O no hydrogen 2.990 N/A THR 323.A OG1 ARG 327.A O no hydrogen 2.727 N/A ASP 324.A N ARG 327.A O no hydrogen 3.430 N/A ASN 325.A N THR 323.A OG1 no hydrogen 2.811 N/A GLN 326.A N ASP 324.A OD2 no hydrogen 2.917 N/A GLN 326.A NE2 ASP 324.A OD1 no hydrogen 2.798 N/A ARG 327.A N ASP 324.A OD2 no hydrogen 2.671 N/A ARG 327.A NE LEU 411.A O no hydrogen 2.731 N/A ARG 327.A NH1 ASP 390.A OD2 no hydrogen 3.196 N/A ARG 327.A NH2 ASP 390.A OD1 no hydrogen 2.711 N/A ARG 327.A NH2 ASP 390.A OD2 no hydrogen 3.473 N/A ARG 327.A NH2 LEU 411.A O no hydrogen 2.931 N/A TYR 329.A N LEU 322.A O no hydrogen 2.790 N/A GLY 332.A N LEU 320.A O no hydrogen 3.377 N/A GLN 333.A NE2 SER 335.A O no hydrogen 3.058 N/A GLN 333.A NE2 GLY 337.A O no hydrogen 3.055 N/A VAL 334.A N LEU 318.A O no hydrogen 2.695 N/A SER 335.A OG SER 341.A OG no hydrogen 3.170 N/A ILE 336.A N GLU 339.A OE1 no hydrogen 2.662 N/A ASN 340.A ND2 ASN 360.A O no hydrogen 2.732 N/A SER 341.A N ARG 315.A O no hydrogen 3.091 N/A TYR 343.A N GLU 358.A OE2 no hydrogen 3.221 N/A SER 344.A N GLN 287.A OE1 no hydrogen 2.899 N/A SER 344.A OG THR 304.A OG1 no hydrogen 2.875 N/A SER 345.A N LEU 356.A O no hydrogen 2.838 N/A VAL 346.A N SER 289.A OG no hydrogen 3.255 N/A LEU 347.A N TYR 354.A O no hydrogen 2.828 N/A TYR 348.A OH ASP 351.A OD2 no hydrogen 2.322 N/A LYS 349.A N LYS 352.A O no hydrogen 2.950 N/A LYS 349.A NZ ASP 74.A OD1 no hydrogen 2.920 N/A LYS 349.A NZ ASP 350.A OD2 no hydrogen 2.662 N/A LYS 352.A N LYS 349.A O no hydrogen 3.017 N/A TYR 354.A N LEU 347.A O no hydrogen 2.828 N/A CYS 355.A N ALA 370.A O no hydrogen 2.883 N/A CYS 355.A SG SER 345.A O no hydrogen 3.485 N/A LEU 356.A N SER 345.A O no hydrogen 2.861 N/A HIS 357.A N VAL 368.A O no hydrogen 3.033 N/A HIS 357.A ND1 GLU 358.A O no hydrogen 2.947 N/A GLU 358.A N TYR 343.A O no hydrogen 2.983 N/A ILE 359.A N SER 366.A O no hydrogen 2.917 N/A ASN 360.A N ASN 340.A O no hydrogen 3.031 N/A ASN 360.A ND2 VAL 364.A O no hydrogen 3.628 N/A SER 361.A N VAL 364.A O no hydrogen 3.257 N/A VAL 364.A N SER 361.A O no hydrogen 2.924 N/A TYR 365.A N SER 34.A OG no hydrogen 2.789 N/A TYR 365.A OH GLU 363.A OE1 no hydrogen 2.738 N/A SER 366.A N ILE 359.A O no hydrogen 2.926 N/A SER 366.A OG GLU 10.A OE2 no hydrogen 2.815 N/A SER 366.A OG PHE 12.A O no hydrogen 3.406 N/A LEU 367.A N PHE 12.A O no hydrogen 2.912 N/A VAL 368.A N HIS 357.A O no hydrogen 2.710 N/A PHE 369.A N VAL 9.A O no hydrogen 2.852 N/A ALA 370.A N CYS 355.A O no hydrogen 2.729 N/A ARG 371.A N SER 7.A O no hydrogen 2.734 N/A ARG 371.A NH1 ASP 74.A O no hydrogen 2.961 N/A ARG 371.A NH2 GLY 75.A O no hydrogen 3.380 N/A LEU 372.A N LEU 353.A O no hydrogen 2.837 N/A VAL 373.A N ARG 371.A O no hydrogen 2.749 N/A GLY 374.A N SER 6.A OG no hydrogen 2.748 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 2.738 N/A LEU 376.A N LEU 372.A O no hydrogen 3.275 N/A ARG 377.A N VAL 373.A O no hydrogen 3.193 N/A ARG 377.A NH1 PRO 4.A O no hydrogen 3.153 N/A ILE 378.A N GLY 374.A O no hydrogen 3.219 N/A ILE 379.A N GLU 375.A O no hydrogen 2.928 N/A LYS 380.A N LEU 376.A O no hydrogen 2.646 N/A LYS 380.A NZ ASP 351.A OD1 no hydrogen 2.758 N/A LYS 380.A NZ ASP 351.A OD2 no hydrogen 3.323 N/A SER 381.A N ARG 377.A O no hydrogen 2.921 N/A VAL 382.A N ILE 378.A O no hydrogen 2.774 N/A LEU 383.A N ILE 379.A O no hydrogen 2.941 N/A GLN 384.A N LYS 380.A O no hydrogen 3.093 N/A SER 385.A N SER 381.A O no hydrogen 3.202 N/A SER 385.A OG SER 381.A O no hydrogen 3.437 N/A TRP 386.A N VAL 382.A O no hydrogen 2.915 N/A TRP 386.A NE1 TYR 428.A O no hydrogen 2.887 N/A LYS 387.A N LEU 383.A O no hydrogen 2.760 N/A LYS 387.A NZ GLU 296.A O no hydrogen 2.855 N/A ASN 388.A N GLN 384.A O no hydrogen 2.863 N/A TRP 389.A N SER 385.A O no hydrogen 2.911 N/A ASP 390.A N TRP 386.A O no hydrogen 3.109 N/A SER 391.A N LYS 387.A O no hydrogen 2.782 N/A HIS 392.A N ASN 388.A O no hydrogen 2.695 N/A HIS 392.A NE2 ILE 619.A O no hydrogen 3.191 N/A LEU 393.A N TRP 389.A O no hydrogen 2.751 N/A SER 394.A N ASP 390.A O no hydrogen 3.006 N/A SER 394.A OG ASP 390.A O no hydrogen 2.467 N/A SER 394.A OG SER 391.A O no hydrogen 3.193 N/A SER 395.A N SER 391.A O no hydrogen 2.808 N/A SER 395.A OG SER 391.A O no hydrogen 2.530 N/A ILE 396.A N LEU 393.A O no hydrogen 3.198 N/A THR 398.A OG1 PRO 404.A O no hydrogen 2.703 N/A GLY 403.A N THR 398.A O no hydrogen 3.047 N/A VAL 409.A N THR 407.A OG1 no hydrogen 3.314 N/A GLY 410.A N GLN 326.A OE1 no hydrogen 2.845 N/A LEU 411.A N THR 408.A O no hydrogen 3.441 N/A VAL 412.A N LEU 599.A O no hydrogen 2.837 N/A GLY 413.A N LEU 599.A O no hydrogen 3.428 N/A PHE 414.A N ASP 426.A OD1 no hydrogen 3.083 N/A LEU 415.A N VAL 597.A O no hydrogen 2.660 N/A SER 416.A OG ASN 443.A OD1 no hydrogen 3.423 N/A SER 416.A OG THR 621.A OG1 no hydrogen 3.327 N/A HIS 417.A N THR 621.A OG1 no hydrogen 3.036 N/A THR 420.A N GLU 423.A O no hydrogen 2.594 N/A TRP 424.A N ALA 433.A O no hydrogen 2.673 N/A TRP 424.A NE1 SER 416.A O no hydrogen 2.823 N/A GLU 425.A N SER 418.A O no hydrogen 3.174 N/A ASP 426.A N ASN 432.A OD1 no hydrogen 2.991 N/A ALA 427.A N PHE 414.A O no hydrogen 2.732 N/A TYR 428.A N ASP 426.A OD1 no hydrogen 2.983 N/A TYR 428.A OH ASP 390.A OD1 no hydrogen 2.759 N/A ARG 429.A N ASP 426.A O no hydrogen 2.909 N/A ARG 429.A NH1 SER 381.A OG no hydrogen 3.252 N/A ARG 429.A NH2 SER 381.A OG no hydrogen 2.831 N/A ARG 429.A NH2 SER 385.A OG no hydrogen 3.034 N/A CYS 430.A N ASP 426.A OD2 no hydrogen 2.929 N/A CYS 430.A SG ILE 328.A O no hydrogen 3.279 N/A CYS 430.A SG TYR 428.A O no hydrogen 3.381 N/A VAL 431.A N ASP 426.A OD2 no hydrogen 3.159 N/A ASN 432.A ND2 GLU 423.A OE2 no hydrogen 3.251 N/A ALA 433.A N TRP 424.A O no hydrogen 3.023 N/A SER 434.A N LEU 455.A O no hydrogen 3.078 N/A THR 435.A N THR 422.A O no hydrogen 2.879 N/A ALA 436.A N GLY 453.A O no hydrogen 2.910 N/A ASN 437.A ND2 ALA 448.A O no hydrogen 3.049 N/A ASN 437.A ND2 VAL 450.A O no hydrogen 3.596 N/A GLU 439.A N LYS 446.A O no hydrogen 2.819 N/A VAL 441.A N GLY 444.A O no hydrogen 2.925 N/A ASN 443.A N HIS 417.A ND1 no hydrogen 2.885 N/A GLY 444.A N VAL 441.A O no hydrogen 3.372 N/A LEU 445.A N VAL 594.A O no hydrogen 2.961 N/A LYS 446.A N GLU 439.A O no hydrogen 2.749 N/A PHE 447.A N VAL 592.A O no hydrogen 2.837 N/A GLY 449.A N ASP 589.A OD1 no hydrogen 2.714 N/A GLY 452.A N GLY 449.A O no hydrogen 3.105 N/A GLY 453.A N ALA 436.A O no hydrogen 3.255 N/A ALA 454.A N VAL 578.A O no hydrogen 2.756 N/A LEU 455.A N SER 434.A O no hydrogen 2.682 N/A TRP 456.A N PHE 576.A O no hydrogen 2.822 N/A TRP 456.A NE1 VAL 431.A O no hydrogen 2.913 N/A VAL 458.A N SER 574.A O no hydrogen 2.977 N/A SER 459.A N ILE 573.A O no hydrogen 2.974 N/A SER 459.A N SER 574.A O no hydrogen 3.007 N/A GLN 460.A N SER 574.A O no hydrogen 3.243 N/A GLN 460.A NE2 SER 574.A OG no hydrogen 3.313 N/A GLN 461.A NE2 PRO 457.A O no hydrogen 2.872 N/A GLY 462.A N SER 459.A O no hydrogen 2.970 N/A GLN 463.A NE2 GLY 276.A O no hydrogen 3.111 N/A GLN 463.A NE2 LEU 307.A O no hydrogen 2.949 N/A ASN 464.A ND2 GLY 276.A O no hydrogen 3.643 N/A GLN 465.A N VAL 274.A O no hydrogen 2.847 N/A GLN 465.A NE2 GLY 462.A O no hydrogen 3.068 N/A ARG 466.A N GLN 461.A OE1 no hydrogen 2.782 N/A ARG 466.A NE ILE 328.A O no hydrogen 2.896 N/A ARG 466.A NH1 GLN 461.A OE1 no hydrogen 3.184 N/A HIS 468.A N GLN 465.A O no hydrogen 3.424 N/A ALA 470.A N TYR 467.A O no hydrogen 2.992 N/A ASN 471.A N HIS 468.A O no hydrogen 3.105 N/A ASN 471.A ND2 HIS 468.A O no hydrogen 2.932 N/A HIS 472.A N PHE 469.A O no hydrogen 2.905 N/A ALA 473.A N PHE 469.A O no hydrogen 3.103 N/A PHE 474.A N MET 543.A O no hydrogen 2.909 N/A THR 475.A N TYR 600.A O no hydrogen 2.907 N/A THR 475.A OG1 ARG 602.A O no hydrogen 2.631 N/A LEU 476.A N LEU 541.A O no hydrogen 2.753 N/A VAL 477.A N LEU 598.A O no hydrogen 2.899 N/A ALA 478.A N VAL 539.A O no hydrogen 2.905 N/A SER 479.A N ASN 595.A O no hydrogen 2.989 N/A VAL 480.A N TYR 537.A O no hydrogen 2.784 N/A THR 481.A N THR 593.A O no hydrogen 2.873 N/A HIS 483.A N ARG 591.A O no hydrogen 2.851 N/A HIS 483.A NE2 THR 593.A OG1 no hydrogen 2.548 N/A SER 490.A N TYR 510.A O no hydrogen 2.834 N/A LEU 492.A N LEU 508.A O no hydrogen 2.976 N/A GLY 494.A N TYR 577.A O no hydrogen 3.004 N/A ALA 495.A N LEU 506.A O no hydrogen 2.823 N/A SER 496.A N HIS 575.A O no hydrogen 2.717 N/A SER 496.A OG ASP 498.A O no hydrogen 2.523 N/A LEU 497.A N LYS 503.A O no hydrogen 2.710 N/A SER 500.A OG ASP 498.A OD2 no hydrogen 3.019 N/A GLY 501.A N ASP 498.A O no hydrogen 3.276 N/A GLY 501.A N ASP 498.A OD1 no hydrogen 3.199 N/A GLY 502.A N SER 500.A OG no hydrogen 2.735 N/A LYS 503.A N ASP 498.A OD1 no hydrogen 2.739 N/A LYS 504.A NZ GLY 501.A O no hydrogen 2.472 N/A LYS 504.A NZ GLY 502.A O no hydrogen 3.222 N/A LYS 504.A NZ TYR 581.A OH no hydrogen 2.931 N/A LEU 505.A N ALA 495.A O no hydrogen 2.818 N/A GLY 507.A N ILE 519.A O no hydrogen 2.990 N/A LEU 508.A N LEU 493.A O no hydrogen 2.735 N/A SER 509.A N GLN 517.A O no hydrogen 2.766 N/A SER 509.A OG SER 490.A O no hydrogen 3.306 N/A TYR 510.A N SER 490.A O no hydrogen 2.835 N/A ASP 511.A N GLN 515.A O no hydrogen 3.100 N/A LYS 512.A N GLY 488.A O no hydrogen 3.313 N/A LYS 512.A NZ LYS 487.A O no hydrogen 3.543 N/A ARG 513.A N ASP 511.A OD1 no hydrogen 3.015 N/A ARG 513.A NH1 GLN 515.A OE1 no hydrogen 3.495 N/A HIS 514.A N ASP 511.A O no hydrogen 3.199 N/A GLN 515.A N ASP 511.A OD1 no hydrogen 2.832 N/A GLN 515.A NE2 GLY 529.A O no hydrogen 3.028 N/A TRP 516.A N THR 528.A O no hydrogen 2.923 N/A GLN 517.A N SER 509.A O no hydrogen 2.897 N/A GLN 517.A NE2 ASP 511.A OD2 no hydrogen 3.081 N/A ILE 519.A N GLY 507.A O no hydrogen 2.782 N/A TYR 520.A OH SER 560.A OG no hydrogen 3.419 N/A GLY 521.A N LEU 505.A O no hydrogen 2.815 N/A THR 523.A N TYR 520.A O no hydrogen 2.975 N/A THR 523.A OG1 TYR 520.A O no hydrogen 3.216 N/A THR 523.A OG1 GLN 562.A OE1 no hydrogen 3.515 N/A THR 528.A N TRP 516.A O no hydrogen 2.781 N/A THR 528.A OG1 GLU 558.A OE1 no hydrogen 3.531 N/A TRP 531.A N HIS 514.A O no hydrogen 3.253 N/A TRP 531.A NE1 GLN 515.A O no hydrogen 2.999 N/A GLU 532.A N TYR 537.A OH no hydrogen 2.686 N/A GLY 534.A N ILE 482.A O no hydrogen 2.748 N/A LYS 535.A N GLU 532.A O no hydrogen 3.316 N/A ARG 536.A NH2 ASP 617.A OD1 no hydrogen 2.679 N/A TYR 537.A N VAL 480.A O no hydrogen 2.712 N/A HIS 538.A N ASP 553.A OD2 no hydrogen 2.863 N/A VAL 539.A N ALA 478.A O no hydrogen 2.882 N/A VAL 540.A N TYR 551.A O no hydrogen 2.986 N/A LEU 541.A N LEU 476.A O no hydrogen 2.819 N/A THR 542.A N SER 549.A O no hydrogen 3.072 N/A MET 543.A N PHE 474.A O no hydrogen 2.865 N/A ALA 544.A N ILE 547.A O no hydrogen 3.095 N/A LYS 546.A NZ ASP 567.A O no hydrogen 3.507 N/A LYS 546.A NZ GLU 568.A OE2 no hydrogen 2.952 N/A ILE 547.A N ALA 544.A O no hydrogen 2.845 N/A GLY 548.A N GLN 562.A O no hydrogen 2.825 N/A SER 549.A N THR 542.A O no hydrogen 2.734 N/A VAL 550.A N SER 560.A OG no hydrogen 2.654 N/A TYR 551.A N VAL 540.A O no hydrogen 2.776 N/A ILE 552.A N GLU 555.A O no hydrogen 2.880 N/A ASP 553.A N HIS 538.A O no hydrogen 2.743 N/A GLU 555.A N ILE 552.A O no hydrogen 3.020 N/A LEU 557.A N VAL 550.A O no hydrogen 2.866 N/A SER 560.A N LEU 557.A O no hydrogen 3.119 N/A SER 560.A OG TYR 520.A OH no hydrogen 3.419 N/A SER 560.A OG VAL 550.A O no hydrogen 3.447 N/A GLY 561.A N GLY 548.A O no hydrogen 2.944 N/A GLN 562.A N GLY 548.A O no hydrogen 3.291 N/A GLN 562.A NE2 GLY 559.A O no hydrogen 2.642 N/A VAL 564.A N LYS 546.A O no hydrogen 2.795 N/A ILE 573.A N ASN 471.A OD1 no hydrogen 2.767 N/A SER 574.A N SER 496.A O no hydrogen 2.657 N/A SER 574.A OG HIS 575.A ND1 no hydrogen 2.531 N/A HIS 575.A ND1 SER 574.A OG no hydrogen 2.531 N/A PHE 576.A N TRP 456.A O no hydrogen 2.738 N/A TYR 577.A N GLY 494.A O no hydrogen 2.813 N/A VAL 578.A N ALA 454.A O no hydrogen 2.912 N/A GLY 579.A N LEU 492.A O no hydrogen 2.800 N/A LYS 582.A N GLY 452.A O no hydrogen 3.054 N/A LYS 582.A NZ LYS 582.A O no hydrogen 3.316 N/A ARG 583.A NE SER 499.A O no hydrogen 2.785 N/A ARG 583.A NH1 LYS 582.A O no hydrogen 3.390 N/A ARG 583.A NH2 SER 499.A O no hydrogen 3.097 N/A MET 586.A N ARG 583.A O no hydrogen 3.229 N/A SER 590.A OG PRO 491.A O no hydrogen 3.296 N/A ARG 591.A N TYR 510.A OH no hydrogen 3.270 N/A ARG 591.A NE ASP 589.A OD2 no hydrogen 3.303 N/A ARG 591.A NH2 ASP 589.A OD2 no hydrogen 3.151 N/A VAL 592.A N PHE 447.A O no hydrogen 3.244 N/A THR 593.A N THR 481.A O no hydrogen 2.972 N/A THR 593.A OG1 HIS 483.A NE2 no hydrogen 2.548 N/A VAL 594.A N LEU 445.A O no hydrogen 3.015 N/A ASN 595.A N SER 479.A O no hydrogen 2.900 N/A ASN 595.A ND2 SER 479.A O no hydrogen 3.628 N/A ASN 596.A N ASN 443.A O no hydrogen 3.022 N/A VAL 597.A N LEU 415.A O no hydrogen 2.735 N/A LEU 598.A N VAL 477.A O no hydrogen 2.766 N/A LEU 599.A N GLY 413.A O no hydrogen 2.769 N/A TYR 600.A N THR 475.A O no hydrogen 2.811 N/A TYR 600.A OH THR 407.A O no hydrogen 2.747 N/A ASN 601.A N GLY 410.A O no hydrogen 2.855 N/A ARG 602.A NE VAL 409.A O no hydrogen 2.842 N/A ARG 602.A NH1 GLN 603.A O no hydrogen 3.454 N/A ARG 602.A NH1 GLU 608.A OE1 no hydrogen 3.060 N/A ARG 602.A NH1 GLU 608.A OE2 no hydrogen 3.501 N/A ARG 602.A NH2 VAL 409.A O no hydrogen 3.007 N/A ARG 602.A NH2 GLU 608.A OE2 no hydrogen 2.918 N/A GLN 603.A NE2 THR 542.A OG1 no hydrogen 3.376 N/A LEU 604.A N THR 475.A OG1 no hydrogen 3.021 N/A ASN 605.A N GLU 608.A OE1 no hydrogen 2.823 N/A GLU 608.A N ASN 605.A OD1 no hydrogen 2.648 N/A ILE 609.A N ASN 605.A O no hydrogen 3.081 N/A ARG 610.A N ALA 606.A O no hydrogen 3.004 N/A THR 611.A N GLU 607.A O no hydrogen 2.889 N/A THR 611.A OG1 GLU 607.A O no hydrogen 2.864 N/A LEU 612.A N GLU 608.A O no hydrogen 3.061 N/A PHE 613.A N ILE 609.A O no hydrogen 2.991 N/A LEU 614.A N ARG 610.A O no hydrogen 3.025 N/A SER 615.A N THR 611.A O no hydrogen 2.923 N/A SER 615.A OG THR 611.A O no hydrogen 3.100 N/A GLN 616.A NE2 SER 479.A OG no hydrogen 2.335 N/A LEU 618.A N SER 615.A O no hydrogen 2.712 N/A THR 621.A N SER 416.A OG no hydrogen 3.052 N/A GLU 622.A N ASN 443.A OD1 no hydrogen 3.028 N/A MET 625.A N GLU 622.A O no hydrogen 3.403 N/A