Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5twm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 55.A OD1 no hydrogen 3.108 N/A SER 1.A N ARG 56.A O no hydrogen 3.314 N/A SER 1.A OG GLU 226.A OE1 no hydrogen 3.235 N/A SER 1.A OG GLU 226.A OE2 no hydrogen 2.689 N/A SER 3.A N PHE 54.A O no hydrogen 2.920 N/A SER 3.A OG VAL 52.A O no hydrogen 2.739 N/A SER 3.A OG PHE 54.A O no hydrogen 3.342 N/A SER 5.A N TYR 272.A O no hydrogen 2.913 N/A TRP 6.A NE1 THR 53.A OG1 no hydrogen 2.822 N/A THR 7.A N CYS 270.A O no hydrogen 2.913 N/A THR 7.A OG1 THR 269.A O no hydrogen 2.709 N/A THR 7.A OG1 CYS 270.A O no hydrogen 3.199 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.138 N/A THR 12.A OG1 SER 265.A OG no hydrogen 2.689 N/A LYS 20.A NZ HIS 34.A O no hydrogen 2.789 N/A LYS 20.A NZ VAL 37.A O no hydrogen 2.813 N/A ASN 24.A N SER 30.A OG no hydrogen 2.783 N/A LEU 26.A N ASN 24.A OD1 no hydrogen 2.982 N/A SER 27.A N ASN 24.A O no hydrogen 3.082 N/A SER 29.A OG GLY 489.A O no hydrogen 2.680 N/A SER 30.A N SER 27.A OG no hydrogen 2.939 N/A LEU 31.A N SER 27.A O no hydrogen 3.189 N/A ARG 32.A N ASN 28.A O no hydrogen 2.982 N/A ARG 32.A NH1 ARG 486.A O no hydrogen 2.932 N/A TYR 33.A N SER 29.A O no hydrogen 3.004 N/A TYR 33.A OH ALA 389.A O no hydrogen 2.737 N/A HIS 34.A N SER 30.A O no hydrogen 3.021 N/A ASN 35.A N LEU 31.A O no hydrogen 2.850 N/A LYS 36.A N ARG 32.A O no hydrogen 3.131 N/A LYS 36.A N TYR 33.A O no hydrogen 3.154 N/A VAL 37.A N TYR 33.A O no hydrogen 2.782 N/A TYR 38.A N PHE 145.A O no hydrogen 3.113 N/A CYS 39.A N GLU 19.A O no hydrogen 2.811 N/A CYS 39.A SG THR 40.A O no hydrogen 3.617 N/A THR 40.A N GLU 143.A O no hydrogen 2.805 N/A THR 40.A OG1 LYS 141.A O no hydrogen 2.790 N/A THR 40.A OG1 GLU 143.A O no hydrogen 3.452 N/A SER 42.A N GLU 17.A OE1 no hydrogen 3.331 N/A SER 42.A N GLU 17.A OE2 no hydrogen 2.902 N/A SER 42.A OG GLU 17.A OE1 no hydrogen 2.682 N/A LYS 43.A N THR 41.A OG1 no hydrogen 3.373 N/A SER 44.A N THR 41.A O no hydrogen 3.218 N/A SER 44.A OG THR 41.A O no hydrogen 3.200 N/A ALA 45.A N SER 42.A O no hydrogen 3.059 N/A ARG 48.A N SER 44.A O no hydrogen 3.147 N/A ALA 49.A N ALA 45.A O no hydrogen 2.831 N/A LYS 50.A N SER 46.A O no hydrogen 2.981 N/A LYS 50.A NZ GLN 47.A O no hydrogen 2.818 N/A LYS 51.A N GLN 47.A O no hydrogen 3.275 N/A VAL 52.A N ARG 48.A O no hydrogen 3.010 N/A THR 53.A N LYS 50.A O no hydrogen 3.431 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.648 N/A PHE 54.A N SER 3.A OG no hydrogen 3.032 N/A ARG 56.A N SER 1.A O no hydrogen 2.971 N/A ARG 56.A NE SER 1.A O no hydrogen 2.808 N/A ARG 56.A NH1 SER 1.A O no hydrogen 3.527 N/A ARG 56.A NH1 SER 1.A OG no hydrogen 2.850 N/A ARG 56.A NH1 ARG 274.A O no hydrogen 2.775 N/A ARG 56.A NH2 SER 222.A O no hydrogen 2.864 N/A ARG 56.A NH2 VAL 224.A O no hydrogen 2.915 N/A ARG 56.A NH2 ARG 274.A O no hydrogen 3.485 N/A GLN 58.A NE2 ASP 228.A OD1 no hydrogen 2.869 N/A GLN 58.A NE2 TYR 342.A O no hydrogen 2.855 N/A VAL 59.A N ARG 341.A O no hydrogen 2.786 N/A TYR 64.A N ASP 61.A OD1 no hydrogen 3.022 N/A ASP 65.A N ASP 61.A O no hydrogen 3.105 N/A SER 66.A N ALA 62.A O no hydrogen 3.051 N/A VAL 67.A N HIS 63.A O no hydrogen 3.213 N/A LEU 68.A N TYR 64.A O no hydrogen 3.015 N/A LYS 69.A N ASP 65.A O no hydrogen 2.942 N/A ASP 70.A N SER 66.A O no hydrogen 3.185 N/A ILE 71.A N VAL 67.A O no hydrogen 2.933 N/A LYS 72.A N LEU 68.A O no hydrogen 3.008 N/A LYS 72.A NZ SER 234.A OG no hydrogen 3.216 N/A LEU 73.A N LYS 69.A O no hydrogen 3.194 N/A ALA 74.A N ASP 70.A O no hydrogen 2.954 N/A ALA 75.A N ILE 71.A O no hydrogen 2.827 N/A SER 76.A N LYS 72.A O no hydrogen 3.108 N/A SER 76.A OG LEU 73.A O no hydrogen 2.676 N/A LYS 77.A N ALA 74.A O no hydrogen 3.398 N/A VAL 78.A N ALA 75.A O no hydrogen 2.989 N/A ALA 80.A N SER 240.A O no hydrogen 3.025 N/A ARG 81.A N ASP 173.A OD2 no hydrogen 2.820 N/A ARG 81.A NH1 LEU 82.A O no hydrogen 2.986 N/A ARG 81.A NH1 GLU 87.A OE1 no hydrogen 2.794 N/A ARG 81.A NH1 GLU 87.A OE2 no hydrogen 3.546 N/A ARG 81.A NH2 GLU 87.A OE2 no hydrogen 2.809 N/A LEU 83.A N MET 169.A O no hydrogen 2.812 N/A THR 84.A N GLU 87.A OE1 no hydrogen 2.818 N/A THR 84.A OG1 GLU 87.A OE1 no hydrogen 3.198 N/A GLU 87.A N THR 84.A OG1 no hydrogen 3.141 N/A ALA 88.A N THR 84.A O no hydrogen 3.034 N/A CYS 89.A N LEU 85.A O no hydrogen 2.799 N/A CYS 89.A SG LEU 85.A O no hydrogen 3.224 N/A CYS 89.A SG VAL 108.A O no hydrogen 3.327 N/A GLN 90.A N GLU 86.A O no hydrogen 3.127 N/A LEU 91.A N GLU 87.A O no hydrogen 3.281 N/A THR 92.A N CYS 89.A O no hydrogen 3.096 N/A THR 92.A OG1 ALA 88.A O no hydrogen 3.151 N/A SER 96.A N PRO 93.A O no hydrogen 3.074 N/A SER 96.A OG ASP 555.A OD1 no hydrogen 2.632 N/A SER 99.A N PHE 103.A O no hydrogen 2.852 N/A SER 99.A OG ASP 160.A OD1 no hydrogen 3.321 N/A SER 99.A OG ASP 160.A OD2 no hydrogen 2.670 N/A LYS 100.A N ASP 160.A OD1 no hydrogen 2.894 N/A TYR 101.A N SER 99.A OG no hydrogen 3.013 N/A GLY 104.A N GLU 107.A OE2 no hydrogen 2.785 N/A VAL 108.A N GLY 104.A O no hydrogen 3.123 N/A ARG 109.A N ALA 105.A O no hydrogen 2.891 N/A ARG 109.A NH2 GLN 90.A O no hydrogen 3.099 N/A ARG 109.A NH2 THR 92.A O no hydrogen 2.864 N/A SER 110.A N LYS 106.A O no hydrogen 3.022 N/A SER 110.A OG LYS 106.A O no hydrogen 3.174 N/A SER 110.A OG GLU 107.A O no hydrogen 3.301 N/A LEU 111.A N VAL 108.A O no hydrogen 3.032 N/A SER 112.A N GLU 107.A O no hydrogen 2.884 N/A VAL 116.A N SER 112.A O no hydrogen 3.039 N/A ASN 117.A N GLY 113.A O no hydrogen 3.043 N/A ASN 117.A ND2 GLY 113.A O no hydrogen 3.003 N/A HIS 118.A N ARG 114.A O no hydrogen 2.939 N/A ILE 119.A N ALA 115.A O no hydrogen 2.973 N/A LYS 120.A N VAL 116.A O no hydrogen 2.977 N/A SER 121.A N ASN 117.A O no hydrogen 3.130 N/A SER 121.A OG ASN 117.A O no hydrogen 3.437 N/A VAL 122.A N HIS 118.A O no hydrogen 3.066 N/A TRP 123.A N ILE 119.A O no hydrogen 2.981 N/A TRP 123.A NE1 GLU 244.A OE1 no hydrogen 2.783 N/A LYS 124.A N LYS 120.A O no hydrogen 2.963 N/A ASP 125.A N SER 121.A O no hydrogen 2.919 N/A LEU 126.A N VAL 122.A O no hydrogen 2.893 N/A LEU 127.A N TRP 123.A O no hydrogen 3.038 N/A GLU 128.A N LYS 124.A O no hydrogen 2.954 N/A ASP 129.A N ASP 125.A O no hydrogen 2.818 N/A GLN 131.A N ASP 129.A OD1 no hydrogen 2.837 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.074 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.439 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.567 N/A ILE 134.A N ARG 255.A O no hydrogen 2.752 N/A THR 136.A N PRO 261.A O no hydrogen 3.123 N/A THR 136.A OG1 PRO 261.A O no hydrogen 2.971 N/A THR 137.A N TYR 158.A O no hydrogen 2.858 N/A ILE 138.A N PHE 263.A O no hydrogen 3.042 N/A MET 139.A N ILE 156.A O no hydrogen 2.873 N/A LYS 141.A N ARG 154.A O no hydrogen 2.782 N/A ASN 142.A ND2 GLU 17.A OE2 no hydrogen 2.874 N/A ASN 142.A ND2 THR 40.A O no hydrogen 3.123 N/A GLU 143.A N THR 40.A OG1 no hydrogen 3.095 N/A PHE 145.A N TYR 38.A O no hydrogen 2.862 N/A VAL 147.A N LYS 36.A O no hydrogen 2.869 N/A LYS 151.A N TYR 38.A OH no hydrogen 2.833 N/A ALA 153.A N SER 44.A OG no hydrogen 2.848 N/A ILE 156.A N MET 139.A O no hydrogen 2.821 N/A VAL 157.A N SER 278.A OG no hydrogen 3.112 N/A TYR 158.A N THR 137.A O no hydrogen 2.950 N/A GLY 162.A N ASP 160.A OD2 no hydrogen 3.164 N/A ARG 164.A N ASP 160.A O no hydrogen 3.067 N/A ARG 164.A NE ASP 555.A OD2 no hydrogen 2.855 N/A ARG 164.A NH1 SER 96.A OG no hydrogen 2.791 N/A ARG 164.A NH1 ALA 97.A O no hydrogen 2.758 N/A ARG 164.A NH2 PRO 159.A O no hydrogen 2.938 N/A VAL 165.A N LEU 161.A O no hydrogen 3.111 N/A CYS 166.A N GLY 162.A O no hydrogen 3.369 N/A CYS 166.A SG ILE 119.A O no hydrogen 3.792 N/A CYS 166.A SG GLY 162.A O no hydrogen 3.572 N/A GLU 167.A N VAL 163.A O no hydrogen 2.925 N/A LYS 168.A N ARG 164.A O no hydrogen 3.392 N/A LYS 168.A NZ ASP 555.A O no hydrogen 2.739 N/A MET 169.A N VAL 165.A O no hydrogen 3.203 N/A ALA 170.A N CYS 166.A O no hydrogen 2.960 N/A LEU 171.A N GLU 167.A O no hydrogen 2.810 N/A TYR 172.A N LYS 168.A O no hydrogen 2.953 N/A THR 175.A N LEU 171.A O no hydrogen 3.036 N/A THR 175.A OG1 TYR 172.A O no hydrogen 2.585 N/A THR 175.A OG1 GLN 176.A OE1 no hydrogen 3.435 N/A GLN 176.A N TYR 172.A O no hydrogen 3.213 N/A GLN 176.A N ASP 173.A O no hydrogen 3.032 N/A LYS 177.A N ILE 174.A O no hydrogen 3.147 N/A LYS 177.A NZ SER 79.A O no hydrogen 2.911 N/A LYS 177.A NZ ASP 173.A OD1 no hydrogen 3.429 N/A LYS 177.A NZ ASP 173.A OD2 no hydrogen 2.797 N/A LEU 178.A N ILE 174.A O no hydrogen 2.794 N/A GLN 180.A N GLN 180.A OE1 no hydrogen 2.904 N/A GLN 180.A NE2 GLN 176.A O no hydrogen 2.768 N/A ALA 181.A N LYS 177.A O no hydrogen 3.432 N/A VAL 182.A N LEU 178.A O no hydrogen 3.128 N/A MET 183.A N PRO 179.A O no hydrogen 2.933 N/A GLY 184.A N GLN 180.A O no hydrogen 2.800 N/A SER 186.A N MET 183.A O no hydrogen 3.127 N/A SER 186.A OG MET 309.A O no hydrogen 3.163 N/A TYR 187.A N GLY 184.A O no hydrogen 3.257 N/A GLY 188.A N VAL 311.A O no hydrogen 2.764 N/A GLN 190.A NE2 GLY 184.A O no hydrogen 2.921 N/A GLN 190.A NE2 TYR 187.A O no hydrogen 2.841 N/A TYR 191.A OH ALA 185.A O no hydrogen 2.633 N/A SER 192.A N GLN 195.A OE1 no hydrogen 3.069 N/A SER 192.A OG LEU 462.A O no hydrogen 3.393 N/A ALA 194.A N LEU 462.A O no hydrogen 3.143 N/A GLN 195.A N SER 192.A OG no hydrogen 3.096 N/A ARG 196.A N SER 192.A O no hydrogen 2.872 N/A ARG 196.A NH1 GLY 188.A O no hydrogen 2.709 N/A ARG 196.A NH2 GLY 188.A O no hydrogen 2.763 N/A VAL 197.A N PRO 193.A O no hydrogen 2.999 N/A GLU 198.A N ALA 194.A O no hydrogen 3.014 N/A TYR 199.A N GLN 195.A O no hydrogen 2.963 N/A TYR 199.A OH MET 309.A O no hydrogen 2.770 N/A LEU 200.A N ARG 196.A O no hydrogen 3.013 N/A LEU 201.A N VAL 197.A O no hydrogen 2.862 N/A LYS 202.A N GLU 198.A O no hydrogen 2.936 N/A ALA 203.A N TYR 199.A O no hydrogen 2.918 N/A TRP 204.A N LEU 200.A O no hydrogen 2.934 N/A ALA 205.A N LEU 201.A O no hydrogen 2.958 N/A GLU 206.A N LYS 202.A O no hydrogen 2.909 N/A LYS 207.A N TRP 204.A O no hydrogen 3.387 N/A LYS 207.A NZ ALA 306.A O no hydrogen 2.741 N/A LYS 207.A NZ THR 308.A OG1 no hydrogen 2.798 N/A LYS 208.A N GLU 321.A OE1 no hydrogen 2.801 N/A ASP 209.A N GLU 321.A OE2 no hydrogen 3.030 N/A MET 211.A N SER 320.A O no hydrogen 3.085 N/A GLY 212.A N GLU 353.A O no hydrogen 2.948 N/A PHE 213.A N VAL 318.A O no hydrogen 3.009 N/A SER 214.A OG THR 360.A O no hydrogen 3.204 N/A TYR 215.A N LEU 316.A O no hydrogen 2.859 N/A TYR 215.A OH ALA 344.A O no hydrogen 2.684 N/A ARG 218.A N PRO 345.A O no hydrogen 2.957 N/A CYS 219.A SG LYS 51.A O no hydrogen 3.914 N/A SER 222.A OG VAL 52.A O no hydrogen 2.814 N/A THR 223.A N CYS 219.A O no hydrogen 3.155 N/A THR 223.A N PHE 220.A O no hydrogen 2.877 N/A THR 223.A OG1 PHE 220.A O no hydrogen 2.707 N/A THR 223.A OG1 SER 343.A O no hydrogen 3.293 N/A VAL 224.A N PHE 220.A O no hydrogen 3.203 N/A VAL 224.A N ASP 221.A O no hydrogen 3.309 N/A THR 225.A N ASP 228.A OD2 no hydrogen 3.015 N/A THR 225.A OG1 GLN 58.A OE1 no hydrogen 2.743 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.749 N/A ASP 228.A N THR 225.A OG1 no hydrogen 3.007 N/A ILE 229.A N THR 225.A O no hydrogen 3.064 N/A ARG 230.A N GLU 226.A O no hydrogen 2.823 N/A ARG 230.A NE GLU 254.A OE1 no hydrogen 2.756 N/A ARG 230.A NE GLU 254.A OE2 no hydrogen 3.443 N/A ARG 230.A NH2 GLU 254.A OE2 no hydrogen 2.815 N/A THR 231.A N ARG 227.A O no hydrogen 2.822 N/A THR 231.A OG1 ARG 227.A O no hydrogen 3.190 N/A GLU 232.A N ASP 228.A O no hydrogen 2.908 N/A GLU 233.A N ILE 229.A O no hydrogen 3.193 N/A SER 234.A N ARG 230.A O no hydrogen 3.093 N/A SER 234.A OG THR 231.A O no hydrogen 2.698 N/A ILE 235.A N THR 231.A O no hydrogen 3.057 N/A TYR 236.A N GLU 232.A O no hydrogen 2.907 N/A GLN 237.A N GLU 233.A O no hydrogen 2.769 N/A GLN 237.A NE2 GLU 233.A OE2 no hydrogen 2.769 N/A GLN 237.A NE2 ARG 246.A O no hydrogen 3.089 N/A ALA 238.A N ILE 235.A O no hydrogen 3.061 N/A CYS 239.A N TYR 236.A O no hydrogen 3.227 N/A CYS 239.A SG ALA 75.A O no hydrogen 3.730 N/A CYS 239.A SG ILE 235.A O no hydrogen 4.027 N/A CYS 239.A SG TYR 236.A O no hydrogen 3.335 N/A SER 240.A N VAL 78.A O no hydrogen 2.802 N/A ARG 246.A N PRO 242.A O no hydrogen 3.123 N/A ARG 246.A NH1 CYS 239.A O no hydrogen 2.878 N/A ARG 246.A NH2 GLN 237.A O no hydrogen 2.787 N/A ARG 246.A NH2 GLN 237.A OE1 no hydrogen 2.950 N/A THR 247.A N GLU 243.A O no hydrogen 3.020 N/A THR 247.A OG1 GLU 243.A O no hydrogen 3.044 N/A ALA 248.A N GLU 244.A O no hydrogen 3.045 N/A ILE 249.A N ALA 245.A O no hydrogen 2.878 N/A HIS 250.A N ARG 246.A O no hydrogen 3.017 N/A HIS 250.A ND1 GLU 233.A OE1 no hydrogen 2.814 N/A HIS 250.A ND1 GLU 233.A OE2 no hydrogen 3.218 N/A SER 251.A N THR 247.A O no hydrogen 3.035 N/A SER 251.A OG LEU 126.A O no hydrogen 2.616 N/A SER 251.A OG ASP 129.A O no hydrogen 3.536 N/A SER 251.A OG THR 247.A O no hydrogen 3.119 N/A LEU 252.A N ALA 248.A O no hydrogen 2.907 N/A THR 253.A N ILE 249.A O no hydrogen 2.932 N/A THR 253.A OG1 ILE 249.A O no hydrogen 3.000 N/A GLU 254.A N HIS 250.A O no hydrogen 3.005 N/A ARG 255.A N SER 251.A O no hydrogen 2.802 N/A ARG 255.A NE THR 132.A O no hydrogen 2.665 N/A ARG 255.A NH1 ASP 125.A OD2 no hydrogen 2.922 N/A ARG 255.A NH1 THR 132.A O no hydrogen 3.506 N/A ARG 255.A NH2 ASP 125.A O no hydrogen 3.199 N/A ARG 255.A NH2 ASP 125.A OD2 no hydrogen 2.894 N/A ARG 255.A NH2 ASP 129.A O no hydrogen 2.905 N/A LEU 256.A N LEU 252.A O no hydrogen 2.910 N/A TYR 257.A N LEU 252.A O no hydrogen 2.881 N/A TYR 257.A OH GLU 167.A OE1 no hydrogen 2.700 N/A VAL 258.A N THR 253.A O no hydrogen 2.891 N/A GLY 259.A N LEU 256.A O no hydrogen 3.293 N/A GLY 260.A N ARG 273.A O no hydrogen 3.049 N/A MET 262.A N GLY 271.A O no hydrogen 2.783 N/A PHE 263.A N THR 136.A O no hydrogen 2.824 N/A ASN 264.A N GLN 268.A O no hydrogen 2.872 N/A ASN 264.A ND2 LEU 10.A O no hydrogen 2.893 N/A ASN 264.A ND2 GLN 268.A OE1 no hydrogen 3.008 N/A SER 265.A OG THR 12.A O no hydrogen 3.386 N/A SER 265.A OG THR 12.A OG1 no hydrogen 2.689 N/A SER 265.A OG PRO 13.A O no hydrogen 3.125 N/A LYS 266.A N ASN 264.A OD1 no hydrogen 3.021 N/A LYS 266.A NZ PRO 13.A O no hydrogen 2.974 N/A GLY 267.A N ASN 264.A O no hydrogen 2.904 N/A GLN 268.A N ASN 264.A OD1 no hydrogen 2.959 N/A CYS 270.A N MET 262.A O no hydrogen 2.768 N/A CYS 270.A SG ALA 9.A O no hydrogen 3.600 N/A GLY 271.A N MET 262.A O no hydrogen 3.245 N/A TYR 272.A N SER 5.A O no hydrogen 2.866 N/A ARG 273.A N GLY 260.A O no hydrogen 2.892 N/A ARG 273.A NH1 LEU 256.A O no hydrogen 2.633 N/A ARG 273.A NH2 LEU 256.A O no hydrogen 3.220 N/A ARG 273.A NH2 TYR 257.A O no hydrogen 3.099 N/A ARG 273.A NH2 CYS 275.A O no hydrogen 2.825 N/A ARG 274.A N SER 3.A O no hydrogen 2.797 N/A ARG 274.A NH1 MET 2.A O no hydrogen 2.943 N/A ARG 274.A NH1 SER 5.A OG no hydrogen 2.902 N/A ARG 274.A NH2 SER 5.A OG no hydrogen 2.779 N/A CYS 275.A SG SER 3.A O no hydrogen 3.568 N/A CYS 275.A SG ARG 276.A O no hydrogen 3.752 N/A ARG 276.A N ASP 221.A O no hydrogen 3.236 N/A ARG 276.A NE ASN 287.A OD1 no hydrogen 2.747 N/A ARG 276.A NH1 GLU 232.A OE1 no hydrogen 2.655 N/A ARG 276.A NH1 ASN 287.A OD1 no hydrogen 3.078 N/A ARG 276.A NH2 GLU 232.A OE1 no hydrogen 3.451 N/A ARG 276.A NH2 GLU 232.A OE2 no hydrogen 2.844 N/A SER 278.A OG LEU 155.A O no hydrogen 3.185 N/A GLY 279.A N VAL 157.A O no hydrogen 2.883 N/A VAL 280.A N THR 283.A OG1 no hydrogen 3.286 N/A LEU 281.A N GLU 167.A OE1 no hydrogen 2.841 N/A THR 283.A N VAL 280.A O no hydrogen 3.339 N/A THR 283.A OG1 ALA 277.A O no hydrogen 2.659 N/A THR 283.A OG1 VAL 280.A O no hydrogen 3.097 N/A GLY 286.A N THR 282.A O no hydrogen 2.744 N/A ASN 287.A N THR 283.A O no hydrogen 2.874 N/A ASN 287.A ND2 ASP 221.A OD1 no hydrogen 2.936 N/A THR 288.A N SER 284.A O no hydrogen 2.969 N/A THR 288.A OG1 SER 284.A O no hydrogen 2.701 N/A ILE 289.A N MET 285.A O no hydrogen 2.953 N/A THR 290.A N GLY 286.A O no hydrogen 2.922 N/A THR 290.A OG1 GLU 232.A OE1 no hydrogen 2.626 N/A THR 290.A OG1 GLY 286.A O no hydrogen 3.291 N/A CYS 291.A N ASN 287.A O no hydrogen 2.859 N/A TYR 292.A N THR 288.A O no hydrogen 2.927 N/A VAL 293.A N ILE 289.A O no hydrogen 2.918 N/A LYS 294.A N THR 290.A O no hydrogen 3.053 N/A LYS 294.A NZ ASP 228.A OD2 no hydrogen 2.718 N/A LYS 294.A NZ TYR 342.A O no hydrogen 2.791 N/A LYS 294.A NZ SER 343.A O no hydrogen 3.218 N/A ALA 295.A N CYS 291.A O no hydrogen 2.870 N/A LEU 296.A N TYR 292.A O no hydrogen 2.854 N/A ALA 297.A N VAL 293.A O no hydrogen 3.040 N/A ALA 298.A N LYS 294.A O no hydrogen 2.846 N/A CYS 299.A N ALA 295.A O no hydrogen 2.855 N/A CYS 299.A SG ALA 295.A O no hydrogen 3.359 N/A LYS 300.A N LEU 296.A O no hydrogen 3.226 N/A ALA 301.A N ALA 297.A O no hydrogen 2.943 N/A ALA 302.A N ALA 298.A O no hydrogen 2.883 N/A GLY 303.A N CYS 299.A O no hydrogen 2.906 N/A ILE 304.A N CYS 299.A O no hydrogen 2.962 N/A THR 308.A N ILE 319.A O no hydrogen 2.677 N/A LEU 310.A N VAL 317.A O no hydrogen 2.954 N/A VAL 311.A N SER 186.A O no hydrogen 2.838 N/A CYS 312.A N ASP 315.A O no hydrogen 2.857 N/A GLY 313.A N THR 288.A OG1 no hydrogen 2.866 N/A ASP 315.A N CYS 312.A O no hydrogen 2.907 N/A VAL 317.A N LEU 310.A O no hydrogen 3.000 N/A VAL 318.A N PHE 213.A O no hydrogen 2.940 N/A ILE 319.A N THR 308.A O no hydrogen 2.808 N/A SER 320.A N MET 211.A O no hydrogen 2.859 N/A GLU 321.A N VAL 305.A O no hydrogen 2.933 N/A SER 322.A N ASP 209.A O no hydrogen 2.788 N/A SER 322.A OG ASP 328.A OD2 no hydrogen 2.668 N/A GLN 323.A N ASP 328.A OD1 no hydrogen 2.958 N/A GLN 323.A NE2 GLU 321.A O no hydrogen 2.920 N/A GLY 324.A N SER 322.A OG no hydrogen 3.122 N/A ASP 328.A N GLY 324.A O no hydrogen 2.889 N/A GLU 329.A N THR 325.A O no hydrogen 2.977 N/A ARG 330.A N GLU 326.A O no hydrogen 3.120 N/A ASN 331.A N GLU 327.A O no hydrogen 2.763 N/A LEU 332.A N ASP 328.A O no hydrogen 2.891 N/A ARG 333.A N GLU 329.A O no hydrogen 3.164 N/A ALA 334.A N ARG 330.A O no hydrogen 2.939 N/A PHE 335.A N ASN 331.A O no hydrogen 2.859 N/A THR 336.A N LEU 332.A O no hydrogen 2.984 N/A THR 336.A OG1 LEU 332.A O no hydrogen 2.801 N/A GLU 337.A N ARG 333.A O no hydrogen 3.017 N/A ALA 338.A N ALA 334.A O no hydrogen 3.077 N/A MET 339.A N PHE 335.A O no hydrogen 2.900 N/A THR 340.A N THR 336.A O no hydrogen 2.821 N/A THR 340.A OG1 THR 336.A O no hydrogen 2.792 N/A ARG 341.A N GLU 337.A O no hydrogen 2.962 N/A TYR 342.A N ALA 338.A O no hydrogen 2.976 N/A TYR 342.A OH ASP 61.A OD1 no hydrogen 2.913 N/A TYR 342.A OH ASP 61.A OD2 no hydrogen 3.039 N/A SER 343.A N THR 340.A O no hydrogen 3.032 N/A SER 343.A OG THR 223.A O no hydrogen 2.702 N/A ALA 344.A N MET 339.A O no hydrogen 2.840 N/A GLY 347.A N ASP 216.A O no hydrogen 2.878 N/A GLU 353.A N GLY 212.A O no hydrogen 2.881 N/A TYR 354.A OH ASP 328.A OD2 no hydrogen 2.701 N/A LEU 358.A N ASP 355.A O no hydrogen 3.039 N/A ILE 359.A N LEU 356.A O no hydrogen 3.298 N/A SER 361.A N SER 364.A O no hydrogen 2.925 N/A CYS 362.A N ASP 315.A OD1 no hydrogen 3.213 N/A SER 364.A N SER 361.A O no hydrogen 2.783 N/A SER 364.A OG CYS 362.A O no hydrogen 3.038 N/A SER 364.A OG TYR 411.A OH no hydrogen 2.675 N/A ASN 365.A N THR 381.A O no hydrogen 2.944 N/A ASN 365.A ND2 VAL 366.A O no hydrogen 3.333 N/A SER 367.A N TYR 379.A O no hydrogen 2.798 N/A ALA 369.A N ARG 377.A O no hydrogen 2.930 N/A LEU 370.A N HIS 471.A O no hydrogen 2.802 N/A GLY 371.A N ARG 375.A O no hydrogen 2.799 N/A GLY 374.A N GLY 371.A O no hydrogen 3.138 N/A ARG 376.A NE TYR 378.A OH no hydrogen 3.510 N/A ARG 377.A N ALA 369.A O no hydrogen 2.683 N/A TYR 379.A N SER 367.A O no hydrogen 2.995 N/A THR 381.A N ASN 365.A O no hydrogen 2.892 N/A THR 381.A OG1 GLU 477.A OE1 no hydrogen 2.690 N/A ARG 382.A NE ASP 383.A O no hydrogen 2.909 N/A ARG 382.A NH2 ASP 383.A O no hydrogen 3.557 N/A THR 385.A N ASP 383.A OD2 no hydrogen 3.165 N/A THR 385.A OG1 ASP 383.A OD2 no hydrogen 2.920 N/A LEU 388.A N PRO 384.A O no hydrogen 2.812 N/A ALA 389.A N THR 385.A O no hydrogen 2.835 N/A ARG 390.A N THR 386.A O no hydrogen 2.847 N/A ARG 390.A NE VAL 144.A O no hydrogen 2.723 N/A ALA 391.A N PRO 387.A O no hydrogen 3.030 N/A ALA 392.A N LEU 388.A O no hydrogen 3.014 N/A TRP 393.A N ALA 389.A O no hydrogen 3.022 N/A GLU 394.A N ARG 390.A O no hydrogen 2.847 N/A THR 395.A N ALA 391.A O no hydrogen 3.078 N/A THR 395.A OG1 ALA 391.A O no hydrogen 2.799 N/A THR 395.A OG1 HIS 424.A NE2 no hydrogen 3.018 N/A VAL 396.A N TRP 393.A O no hydrogen 3.145 N/A ARG 397.A N TRP 393.A O no hydrogen 2.719 N/A ARG 397.A NE GLU 18.A OE1 no hydrogen 2.727 N/A ARG 397.A NE GLU 18.A OE2 no hydrogen 3.381 N/A ARG 397.A NH2 GLU 18.A OE2 no hydrogen 2.805 N/A ILE 401.A N SER 399.A OG no hydrogen 3.347 N/A ASN 402.A N SER 399.A O no hydrogen 3.288 N/A ASN 402.A ND2 ASN 440.A O no hydrogen 2.763 N/A SER 403.A N GLU 394.A OE2 no hydrogen 2.799 N/A SER 403.A OG GLU 394.A OE1 no hydrogen 2.819 N/A SER 403.A OG GLU 394.A OE2 no hydrogen 3.197 N/A TRP 404.A N GLU 394.A OE1 no hydrogen 3.074 N/A TRP 404.A NE1 ASN 402.A OD1 no hydrogen 3.086 N/A LEU 405.A N ASN 402.A O no hydrogen 2.979 N/A GLY 406.A N ASN 402.A O no hydrogen 3.355 N/A ASN 407.A N SER 403.A O no hydrogen 2.892 N/A ILE 408.A N TRP 404.A O no hydrogen 2.942 N/A ILE 409.A N LEU 405.A O no hydrogen 3.082 N/A GLN 410.A N GLY 406.A O no hydrogen 2.950 N/A TYR 411.A N ASN 407.A O no hydrogen 2.886 N/A TYR 411.A OH SER 364.A OG no hydrogen 2.675 N/A THR 414.A N TYR 411.A O no hydrogen 2.920 N/A THR 414.A OG1 TYR 411.A O no hydrogen 2.765 N/A TRP 416.A NE1 THR 381.A OG1 no hydrogen 3.300 N/A VAL 417.A N THR 414.A OG1 no hydrogen 3.197 N/A ARG 418.A N THR 414.A O no hydrogen 3.057 N/A ARG 418.A NH2 MET 470.A O no hydrogen 2.722 N/A ARG 418.A NH2 TYR 473.A OH no hydrogen 2.925 N/A MET 419.A N ILE 415.A O no hydrogen 2.845 N/A VAL 420.A N TRP 416.A O no hydrogen 3.117 N/A LEU 421.A N TRP 416.A O no hydrogen 3.108 N/A MET 422.A N VAL 417.A O no hydrogen 2.772 N/A THR 423.A OG1 MET 419.A O no hydrogen 2.719 N/A HIS 424.A N VAL 420.A O no hydrogen 2.950 N/A HIS 424.A NE2 THR 395.A OG1 no hydrogen 3.018 N/A PHE 425.A N LEU 421.A O no hydrogen 2.929 N/A PHE 426.A N MET 422.A O no hydrogen 2.883 N/A SER 427.A N THR 423.A O no hydrogen 3.255 N/A ILE 428.A N HIS 424.A O no hydrogen 3.107 N/A LEU 429.A N PHE 425.A O no hydrogen 3.086 N/A MET 430.A N PHE 426.A O no hydrogen 3.041 N/A VAL 431.A N SER 427.A O no hydrogen 2.972 N/A GLN 432.A N ILE 428.A O no hydrogen 2.913 N/A ASP 433.A N MET 430.A O no hydrogen 3.143 N/A THR 434.A N LEU 429.A O no hydrogen 2.745 N/A GLN 437.A N THR 434.A O no hydrogen 3.179 N/A ASN 438.A ND2 SER 449.A OG no hydrogen 2.821 N/A LEU 439.A N VAL 450.A O no hydrogen 2.950 N/A PHE 441.A N TYR 448.A O no hydrogen 2.974 N/A GLU 442.A N ILE 401.A O no hydrogen 2.874 N/A MET 443.A N SER 446.A O no hydrogen 2.909 N/A SER 446.A N MET 443.A O no hydrogen 2.974 N/A VAL 447.A N ILE 556.A O no hydrogen 2.739 N/A TYR 448.A N PHE 441.A O no hydrogen 2.918 N/A SER 449.A N HIS 558.A O no hydrogen 2.921 N/A VAL 450.A N LEU 439.A O no hydrogen 2.789 N/A ASN 451.A ND2 ASP 436.A O no hydrogen 3.219 N/A ASN 451.A ND2 ASN 438.A OD1 no hydrogen 3.230 N/A LEU 453.A N ASN 451.A OD1 no hydrogen 3.095 N/A ASP 454.A N ASN 451.A O no hydrogen 2.813 N/A LEU 455.A N PRO 452.A O no hydrogen 3.070 N/A ILE 458.A N ASP 454.A O no hydrogen 2.990 N/A ILE 459.A N LEU 455.A O no hydrogen 2.846 N/A GLU 460.A N PRO 456.A O no hydrogen 2.941 N/A ARG 461.A N ALA 457.A O no hydrogen 2.974 N/A ARG 461.A NE ALA 538.A O no hydrogen 2.903 N/A ARG 461.A NH1 ALA 538.A O no hydrogen 2.761 N/A ARG 461.A NH1 LEU 541.A O no hydrogen 2.737 N/A ARG 461.A NH2 LEU 541.A O no hydrogen 3.082 N/A LEU 462.A N ILE 458.A O no hydrogen 2.834 N/A HIS 463.A N ILE 459.A O no hydrogen 2.834 N/A HIS 463.A NE2 ILE 409.A O no hydrogen 2.702 N/A GLY 464.A N GLU 460.A O no hydrogen 2.757 N/A ALA 467.A N GLY 464.A O no hydrogen 3.277 N/A PHE 468.A N LEU 465.A O no hydrogen 3.107 N/A SER 469.A N ASP 466.A O no hydrogen 3.076 N/A HIS 471.A N LEU 370.A O no hydrogen 3.046 N/A HIS 471.A NE2 GLY 371.A O no hydrogen 2.758 N/A THR 472.A OG1 HIS 471.A ND1 no hydrogen 3.340 N/A TYR 473.A OH PRO 413.A O no hydrogen 2.624 N/A GLU 477.A N SER 474.A OG no hydrogen 3.086 N/A LEU 478.A N SER 474.A O no hydrogen 3.076 N/A THR 479.A N HIS 475.A O no hydrogen 2.803 N/A THR 479.A OG1 HIS 475.A O no hydrogen 2.981 N/A ARG 480.A N HIS 476.A O no hydrogen 2.914 N/A ARG 480.A NE GLU 477.A OE2 no hydrogen 3.179 N/A ARG 480.A NH1 ASN 365.A OD1 no hydrogen 2.839 N/A ARG 480.A NH1 GLU 477.A OE2 no hydrogen 2.931 N/A VAL 481.A N GLU 477.A O no hydrogen 3.212 N/A ALA 482.A N LEU 478.A O no hydrogen 3.161 N/A SER 483.A N THR 479.A O no hydrogen 2.906 N/A SER 483.A OG THR 479.A O no hydrogen 3.287 N/A ALA 484.A N ARG 480.A O no hydrogen 3.092 N/A LEU 485.A N VAL 481.A O no hydrogen 2.959 N/A ARG 486.A N ALA 482.A O no hydrogen 3.138 N/A LYS 487.A N SER 483.A O no hydrogen 2.873 N/A LEU 488.A N ALA 484.A O no hydrogen 3.075 N/A GLY 489.A N ARG 486.A O no hydrogen 3.159 N/A ALA 490.A N LEU 485.A O no hydrogen 2.855 N/A VAL 495.A N PRO 492.A O no hydrogen 3.028 N/A TRP 496.A N PRO 492.A O no hydrogen 3.407 N/A TRP 496.A NE1 PRO 491.A O no hydrogen 2.872 N/A LYS 497.A N LEU 493.A O no hydrogen 2.861 N/A SER 498.A N ARG 494.A O no hydrogen 3.253 N/A SER 498.A OG ARG 494.A O no hydrogen 3.516 N/A ARG 499.A N VAL 495.A O no hydrogen 3.001 N/A ALA 500.A N TRP 496.A O no hydrogen 2.947 N/A ARG 501.A N LYS 497.A O no hydrogen 3.124 N/A ALA 502.A N SER 498.A O no hydrogen 3.413 N/A VAL 503.A N ARG 499.A O no hydrogen 2.870 N/A ARG 504.A N ALA 500.A O no hydrogen 2.824 N/A ALA 505.A N ARG 501.A O no hydrogen 3.128 N/A SER 506.A N ALA 502.A O no hydrogen 2.861 N/A SER 506.A OG ALA 502.A O no hydrogen 3.198 N/A LEU 507.A N VAL 503.A O no hydrogen 2.852 N/A ILE 508.A N ARG 504.A O no hydrogen 2.846 N/A SER 509.A N ALA 505.A O no hydrogen 2.987 N/A SER 509.A OG SER 506.A O no hydrogen 2.738 N/A ARG 510.A N LEU 507.A O no hydrogen 3.055 N/A ARG 510.A NH1 SER 506.A O no hydrogen 2.782 N/A GLY 511.A N ILE 508.A O no hydrogen 3.373 N/A LYS 513.A NZ ASP 454.A OD1 no hydrogen 3.275 N/A ALA 515.A N GLY 511.A O no hydrogen 3.212 N/A VAL 516.A N GLY 512.A O no hydrogen 3.336 N/A CYS 517.A N LYS 513.A O no hydrogen 3.033 N/A CYS 517.A SG PRO 452.A O no hydrogen 4.016 N/A CYS 517.A SG LEU 453.A O no hydrogen 3.914 N/A CYS 517.A SG LYS 513.A O no hydrogen 3.497 N/A GLY 518.A N ALA 514.A O no hydrogen 2.945 N/A ARG 519.A N ALA 515.A O no hydrogen 2.869 N/A TYR 520.A N VAL 516.A O no hydrogen 2.866 N/A TYR 520.A OH THR 533.A O no hydrogen 2.701 N/A LEU 521.A N CYS 517.A O no hydrogen 2.853 N/A PHE 522.A N GLY 518.A O no hydrogen 3.248 N/A ASN 523.A ND2 LEU 530.A O no hydrogen 2.890 N/A ALA 525.A N PHE 522.A O no hydrogen 3.064 N/A LYS 529.A NZ VAL 526.A O no hydrogen 3.024 N/A LEU 530.A N ASN 523.A OD1 no hydrogen 3.064 N/A LEU 535.A N GLU 460.A OE2 no hydrogen 2.804 N/A GLU 537.A N GLU 537.A OE2 no hydrogen 2.824 N/A ALA 538.A N LEU 535.A O no hydrogen 3.186 N/A ARG 539.A N PRO 536.A O no hydrogen 3.364 N/A SER 544.A OG ASP 542.A OD1 no hydrogen 2.692 N/A SER 545.A OG HIS 558.A ND1 no hydrogen 3.244 N/A TRP 546.A N LEU 543.A O no hydrogen 2.914 N/A PHE 547.A N SER 544.A O no hydrogen 3.393 N/A THR 548.A OG1 GLN 176.A OE1 no hydrogen 3.005 N/A ALA 551.A N GLY 445.A O no hydrogen 2.796 N/A GLY 552.A N VAL 280.A O no hydrogen 3.076 N/A ASP 555.A N ALA 551.A O no hydrogen 2.809 N/A PHE 557.A N LEU 91.A O no hydrogen 2.802 N/A HIS 558.A N VAL 447.A O no hydrogen 2.727 N/A