Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ujh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 4.A OG no hydrogen 2.741 N/A GLN 9.A N GLN 12.A OE1 no hydrogen 3.294 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.878 N/A CYS 13.A N GLN 9.A O no hydrogen 3.209 N/A CYS 13.A N LEU 10.A O no hydrogen 3.264 N/A CYS 13.A SG THR 8.A O no hydrogen 3.409 N/A CYS 13.A SG GLN 9.A O no hydrogen 3.663 N/A SER 15.A N GLU 75.A OE1 no hydrogen 2.806 N/A SER 15.A OG GLU 75.A OE1 no hydrogen 3.132 N/A SER 15.A OG GLU 75.A OE2 no hydrogen 2.607 N/A HIS 16.A N CYS 13.A O no hydrogen 3.091 N/A LEU 19.A N SER 15.A O no hydrogen 2.764 N/A LEU 20.A N HIS 16.A O no hydrogen 2.869 N/A GLN 21.A N GLY 17.A O no hydrogen 3.333 N/A GLU 22.A N LYS 18.A O no hydrogen 3.058 N/A LYS 23.A N LEU 19.A O no hydrogen 2.977 N/A LYS 23.A NZ GLU 27.A OE1 no hydrogen 2.551 N/A LYS 24.A N LEU 20.A O no hydrogen 3.210 N/A LYS 25.A N GLN 21.A O no hydrogen 2.811 N/A LYS 25.A NZ GLU 22.A OE2 no hydrogen 2.727 N/A LEU 26.A N GLU 22.A O no hydrogen 2.609 N/A GLU 27.A N LYS 23.A O no hydrogen 2.911 N/A LYS 28.A N LYS 25.A O no hydrogen 3.184 N/A LEU 29.A N LEU 26.A O no hydrogen 3.076 N/A HIS 30.A NE2 PRO 473.A O no hydrogen 2.754 N/A LEU 31.A N ASP 475.A OD1 no hydrogen 2.803 N/A ARG 32.A N HIS 30.A ND1 no hydrogen 2.985 N/A ARG 32.A NE PHE 450.A O no hydrogen 3.286 N/A ARG 32.A NH2 PHE 450.A O no hydrogen 2.944 N/A ASP 33.A N HIS 30.A O no hydrogen 2.958 N/A LEU 34.A N HIS 30.A O no hydrogen 3.097 N/A LEU 35.A N LEU 31.A O no hydrogen 2.873 N/A LYS 36.A N ASP 33.A O no hydrogen 2.964 N/A ASP 37.A N LEU 34.A O no hydrogen 3.068 N/A ARG 40.A N ASP 37.A OD1 no hydrogen 3.289 N/A ARG 40.A NE ILE 61.A O no hydrogen 2.996 N/A ARG 40.A NH1 ASN 41.A OD1 no hydrogen 2.874 N/A ARG 40.A NH1 SER 57.A O no hydrogen 2.980 N/A ARG 40.A NH2 SER 57.A O no hydrogen 3.008 N/A ARG 40.A NH2 ILE 61.A O no hydrogen 2.752 N/A ASN 41.A N ASP 37.A O no hydrogen 2.882 N/A ASN 41.A ND2 LEU 35.A O no hydrogen 2.789 N/A ASP 42.A N GLU 38.A O no hydrogen 2.791 N/A LEU 43.A N ARG 40.A O no hydrogen 2.994 N/A LEU 44.A N ASN 41.A O no hydrogen 2.872 N/A ARG 46.A N LEU 54.A O no hydrogen 2.960 N/A ARG 46.A NE ALA 322.A O no hydrogen 2.875 N/A ARG 46.A NH1 LEU 43.A O no hydrogen 2.915 N/A ARG 46.A NH1 ILE 45.A O no hydrogen 2.798 N/A ARG 46.A NH2 ALA 322.A O no hydrogen 2.920 N/A THR 48.A N VAL 52.A O no hydrogen 2.798 N/A GLN 50.A N THR 48.A OG1 no hydrogen 3.352 N/A GLN 50.A NE2 ASP 49.A OD1 no hydrogen 3.351 N/A GLY 51.A N THR 48.A O no hydrogen 3.202 N/A VAL 52.A N THR 48.A OG1 no hydrogen 3.165 N/A TYR 53.A N LEU 482.A O no hydrogen 3.094 N/A LEU 54.A N ARG 46.A O no hydrogen 2.850 N/A ASP 55.A N MET 480.A O no hydrogen 2.731 N/A PHE 56.A N LEU 44.A O no hydrogen 3.004 N/A SER 57.A N ASP 55.A OD1 no hydrogen 2.913 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.710 N/A ARG 58.A NE ASP 446.A OD1 no hydrogen 2.792 N/A ARG 58.A NH2 ASP 446.A OD1 no hydrogen 2.870 N/A LYS 60.A NZ LEU 29.A O no hydrogen 2.568 N/A LYS 60.A NZ ASP 475.A OD1 no hydrogen 2.877 N/A LYS 60.A NZ ASP 475.A OD2 no hydrogen 2.617 N/A ILE 61.A N GLN 59.A O no hydrogen 2.790 N/A THR 62.A N THR 65.A OG1 no hydrogen 3.005 N/A THR 62.A OG1 THR 65.A OG1 no hydrogen 2.910 N/A THR 65.A N THR 62.A OG1 no hydrogen 3.005 N/A THR 65.A OG1 GLU 22.A OE1 no hydrogen 2.694 N/A THR 65.A OG1 THR 62.A OG1 no hydrogen 2.910 N/A LEU 66.A N THR 62.A O no hydrogen 3.110 N/A GLN 67.A N LEU 63.A O no hydrogen 2.992 N/A GLN 67.A NE2 GLN 67.A O no hydrogen 3.041 N/A GLN 67.A NE2 ASN 71.A OD1 no hydrogen 2.868 N/A HIS 68.A N GLU 64.A O no hydrogen 3.069 N/A LEU 69.A N THR 65.A O no hydrogen 2.972 N/A VAL 70.A N LEU 66.A O no hydrogen 2.897 N/A ASN 71.A N GLN 67.A O no hydrogen 2.957 N/A LEU 72.A N HIS 68.A O no hydrogen 2.898 N/A ALA 73.A N LEU 69.A O no hydrogen 2.960 N/A HIS 74.A N VAL 70.A O no hydrogen 3.099 N/A GLU 75.A N ASN 71.A O no hydrogen 2.836 N/A ARG 76.A N LEU 72.A O no hydrogen 2.881 N/A ARG 76.A NE LEU 508.A O no hydrogen 2.883 N/A ARG 76.A NH1 ALA 6.A O no hydrogen 2.762 N/A ARG 76.A NH1 THR 8.A O no hydrogen 2.794 N/A ARG 76.A NH2 TRP 507.A O no hydrogen 2.855 N/A GLN 77.A N HIS 74.A O no hydrogen 2.732 N/A VAL 78.A N ALA 73.A O no hydrogen 2.989 N/A MET 81.A N GLN 77.A O no hydrogen 3.010 N/A VAL 82.A N VAL 78.A O no hydrogen 2.984 N/A LYS 83.A N PRO 79.A O no hydrogen 3.227 N/A ARG 84.A N ALA 80.A O no hydrogen 3.086 N/A MET 85.A N MET 81.A O no hydrogen 2.925 N/A PHE 86.A N VAL 82.A O no hydrogen 3.052 N/A SER 87.A N LYS 83.A O no hydrogen 2.956 N/A SER 87.A OG LYS 83.A O no hydrogen 3.125 N/A SER 87.A OG ARG 84.A O no hydrogen 3.377 N/A GLY 88.A N MET 85.A O no hydrogen 3.110 N/A GLU 89.A N ARG 84.A O no hydrogen 2.989 N/A LYS 90.A NZ ASP 116.A OD1 no hydrogen 2.665 N/A ILE 91.A N GLU 89.A O no hydrogen 2.861 N/A ASN 92.A N ARG 97.A O no hydrogen 3.021 N/A ASN 92.A ND2 GLU 95.A OE1 no hydrogen 2.737 N/A THR 94.A OG1 ASN 92.A OD1 no hydrogen 3.525 N/A THR 94.A OG1 ASP 515.A OD2 no hydrogen 2.523 N/A ARG 97.A N ASN 92.A O no hydrogen 2.961 N/A LEU 100.A N TRP 277.A O no hydrogen 3.049 N/A ALA 103.A N LEU 100.A O no hydrogen 2.998 N/A LEU 104.A N HIS 101.A O no hydrogen 2.978 N/A ARG 105.A N VAL 102.A O no hydrogen 3.259 N/A ARG 105.A NE ASP 313.A OD2 no hydrogen 2.782 N/A ARG 105.A NH1 THR 285.A OG1 no hydrogen 2.933 N/A ARG 105.A NH1 GLU 499.A OE1 no hydrogen 2.845 N/A ARG 105.A NH2 ASP 313.A OD1 no hydrogen 3.003 N/A ARG 105.A NH2 GLU 499.A OE1 no hydrogen 2.806 N/A MET 106.A N ALA 103.A O no hydrogen 3.123 N/A SER 110.A N PRO 107.A O no hydrogen 2.947 N/A SER 110.A OG PRO 107.A O no hydrogen 2.640 N/A VAL 113.A N ASN 119.A OD1 no hydrogen 2.956 N/A VAL 115.A N LYS 118.A O no hydrogen 3.024 N/A LYS 118.A N VAL 115.A O no hydrogen 2.990 N/A VAL 120.A N VAL 113.A O no hydrogen 2.872 N/A LEU 121.A N ASN 119.A OD1 no hydrogen 3.195 N/A ASP 122.A N ASN 119.A O no hydrogen 3.323 N/A VAL 124.A N VAL 120.A O no hydrogen 3.010 N/A HIS 125.A N LEU 121.A O no hydrogen 2.917 N/A HIS 125.A NE2 MET 106.A O no hydrogen 2.738 N/A ALA 126.A N ASP 122.A O no hydrogen 3.035 N/A VAL 127.A N GLU 123.A O no hydrogen 3.085 N/A LEU 128.A N VAL 124.A O no hydrogen 3.091 N/A ARG 129.A N HIS 125.A O no hydrogen 2.903 N/A ARG 130.A N ALA 126.A O no hydrogen 3.096 N/A ARG 130.A NH1 VAL 271.A O no hydrogen 3.128 N/A ARG 130.A NH2 VAL 271.A O no hydrogen 2.818 N/A ILE 131.A N VAL 127.A O no hydrogen 2.887 N/A ARG 132.A N LEU 128.A O no hydrogen 2.971 N/A ARG 132.A NE GLU 136.A OE2 no hydrogen 3.310 N/A VAL 133.A N ARG 129.A O no hydrogen 3.001 N/A PHE 134.A N ARG 130.A O no hydrogen 2.877 N/A SER 135.A N ILE 131.A O no hydrogen 2.770 N/A SER 135.A OG ILE 131.A O no hydrogen 3.032 N/A SER 135.A OG ARG 132.A O no hydrogen 3.028 N/A GLU 136.A N ARG 132.A O no hydrogen 2.931 N/A LYS 137.A N VAL 133.A O no hydrogen 3.027 N/A LYS 137.A NZ GLU 142.A OE2 no hydrogen 3.253 N/A VAL 138.A N PHE 134.A O no hydrogen 2.968 N/A ARG 139.A N SER 135.A O no hydrogen 2.994 N/A ARG 139.A NH1 LYS 182.A O no hydrogen 3.258 N/A ARG 139.A NH1 LEU 295.A O no hydrogen 2.970 N/A ARG 139.A NH1 GLN 296.A O no hydrogen 2.831 N/A ARG 139.A NH2 LYS 182.A O no hydrogen 2.717 N/A SER 140.A N GLU 136.A O no hydrogen 3.009 N/A SER 140.A OG GLU 136.A O no hydrogen 3.344 N/A SER 140.A OG LYS 137.A O no hydrogen 3.063 N/A GLY 141.A N VAL 138.A O no hydrogen 3.260 N/A GLU 142.A N SER 140.A OG no hydrogen 2.972 N/A ILE 143.A N LYS 137.A O no hydrogen 3.127 N/A ARG 144.A NE GLY 141.A O no hydrogen 2.646 N/A ARG 144.A NH1 GLY 148.A O no hydrogen 2.933 N/A GLY 145.A N LYS 149.A O no hydrogen 2.853 N/A HIS 146.A N HIS 250.A NE2 no hydrogen 2.977 N/A THR 147.A OG1 GLU 209.A OE1 no hydrogen 2.661 N/A GLY 148.A N GLY 145.A O no hydrogen 3.030 N/A LYS 149.A NZ ASP 207.A OD2 no hydrogen 3.507 N/A LYS 149.A NZ GLU 209.A OE1 no hydrogen 2.979 N/A VAL 152.A N GLU 210.A O no hydrogen 2.921 N/A ASN 153.A N GLU 210.A O no hydrogen 3.030 N/A ASN 153.A ND2 THR 211.A OG1 no hydrogen 3.052 N/A VAL 154.A N GLN 187.A O no hydrogen 2.851 N/A ILE 155.A N LEU 212.A O no hydrogen 2.979 N/A SER 156.A N HIS 189.A O no hydrogen 2.967 N/A ILE 157.A N VAL 214.A O no hydrogen 2.819 N/A GLY 158.A N LEU 191.A O no hydrogen 2.882 N/A SER 162.A N ILE 159.A O no hydrogen 2.988 N/A SER 162.A OG ILE 216.A O no hydrogen 3.552 N/A TYR 163.A N GLY 160.A O no hydrogen 3.052 N/A LEU 164.A N GLY 160.A O no hydrogen 2.935 N/A THR 166.A OG1 VAL 288.A O no hydrogen 3.548 N/A GLU 167.A N TYR 163.A O no hydrogen 2.696 N/A PHE 168.A N LEU 164.A O no hydrogen 3.048 N/A VAL 169.A N GLY 165.A O no hydrogen 3.010 N/A HIS 170.A N THR 166.A O no hydrogen 2.793 N/A LEU 171.A N GLU 167.A O no hydrogen 3.062 N/A ALA 172.A N PHE 168.A O no hydrogen 2.979 N/A LEU 173.A N VAL 169.A O no hydrogen 3.022 N/A LEU 173.A N HIS 170.A O no hydrogen 3.339 N/A ALA 174.A N LEU 171.A O no hydrogen 3.263 N/A GLU 176.A N LEU 173.A O no hydrogen 2.945 N/A ALA 179.A N GLU 176.A OE1 no hydrogen 2.904 N/A ALA 180.A N GLU 176.A O no hydrogen 2.762 N/A GLU 181.A N GLY 177.A O no hydrogen 3.410 N/A LYS 182.A N TYR 178.A O no hydrogen 3.064 N/A ALA 183.A N ALA 179.A O no hydrogen 2.853 N/A ALA 183.A N ALA 180.A O no hydrogen 3.027 N/A HIS 184.A N GLU 181.A O no hydrogen 3.059 N/A ARG 186.A N ALA 183.A O no hydrogen 2.877 N/A ARG 186.A NH1.B LEU 151.A O no hydrogen 3.365 N/A ARG 186.A NH2.A LEU 151.A O no hydrogen 3.229 N/A GLN 187.A N VAL 152.A O no hydrogen 3.132 N/A HIS 189.A N VAL 154.A O no hydrogen 2.816 N/A HIS 189.A ND1 ALA 202.A O no hydrogen 2.745 N/A LEU 191.A N SER 156.A O no hydrogen 2.892 N/A ALA 192.A N ASP 198.A OD2 no hydrogen 2.950 N/A ASN 193.A N ASP 198.A OD2 no hydrogen 2.939 N/A ASP 195.A N ASN 193.A OD1 no hydrogen 3.115 N/A VAL 197.A N ASP 195.A OD1 no hydrogen 2.977 N/A ASP 198.A N ASP 195.A O no hydrogen 2.835 N/A TRP 200.A N PRO 196.A O no hydrogen 3.084 N/A LEU 201.A N VAL 197.A O no hydrogen 2.896 N/A ALA 202.A N ASP 198.A O no hydrogen 2.903 N/A GLU 203.A N VAL 199.A O no hydrogen 3.112 N/A ARG 204.A N LEU 201.A O no hydrogen 3.205 N/A PHE 206.A N GLU 203.A O no hydrogen 3.012 N/A GLU 209.A N ASP 207.A OD1 no hydrogen 2.922 N/A GLU 210.A N ASP 207.A O no hydrogen 2.888 N/A THR 211.A N PRO 208.A O no hydrogen 3.110 N/A THR 211.A OG1 ASP 207.A O no hydrogen 2.776 N/A LEU 212.A N ASN 153.A O no hydrogen 2.778 N/A VAL 213.A N HIS 250.A O no hydrogen 2.723 N/A VAL 214.A N ILE 155.A O no hydrogen 2.791 N/A VAL 215.A N CYS 252.A O no hydrogen 2.864 N/A ILE 216.A N ILE 157.A O no hydrogen 2.809 N/A SER 217.A N VAL 254.A O no hydrogen 2.980 N/A SER 217.A OG THR 222.A OG1 no hydrogen 3.339 N/A LYS 218.A NZ ASP 276.A O no hydrogen 2.887 N/A LYS 218.A NZ VAL 278.A O no hydrogen 2.625 N/A THR 219.A OG1 THR 221.A OG1 no hydrogen 3.246 N/A PHE 220.A N SER 217.A O no hydrogen 3.218 N/A PHE 220.A N SER 217.A OG no hydrogen 2.870 N/A THR 221.A N THR 219.A OG1 no hydrogen 3.217 N/A THR 221.A OG1 THR 219.A OG1 no hydrogen 3.246 N/A THR 222.A OG1 SER 217.A OG no hydrogen 3.339 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.920 N/A MET 226.A N THR 222.A O no hydrogen 3.034 N/A MET 227.A N ALA 223.A O no hydrogen 3.232 N/A ASN 228.A N GLU 224.A O no hydrogen 2.907 N/A ASN 228.A ND2 ALA 192.A O no hydrogen 3.535 N/A ASN 228.A ND2 ASN 193.A O no hydrogen 2.974 N/A ALA 229.A N THR 225.A O no hydrogen 2.838 N/A ARG 230.A N MET 226.A O no hydrogen 2.941 N/A SER 231.A N MET 227.A O no hydrogen 2.944 N/A SER 231.A OG MET 227.A O no hydrogen 2.821 N/A VAL 232.A N ASN 228.A O no hydrogen 2.875 N/A ARG 233.A N ALA 229.A O no hydrogen 2.881 N/A ASP 234.A N ARG 230.A O no hydrogen 2.937 N/A TRP 235.A N SER 231.A O no hydrogen 3.014 N/A TYR 236.A N VAL 232.A O no hydrogen 3.087 N/A TYR 236.A OH PRO 208.A O no hydrogen 3.385 N/A TYR 236.A OH THR 211.A O no hydrogen 2.762 N/A LEU 237.A N ARG 233.A O no hydrogen 2.944 N/A HIS 238.A N ASP 234.A O no hydrogen 2.844 N/A HIS 238.A ND1 ASP 234.A O no hydrogen 3.130 N/A HIS 239.A N TRP 235.A O no hydrogen 3.012 N/A HIS 239.A NE2 GLU 209.A OE2 no hydrogen 2.727 N/A TYR 240.A N TYR 236.A O no hydrogen 2.780 N/A TYR 240.A OH HIS 250.A NE2 no hydrogen 2.906 N/A LYS 241.A N HIS 238.A O no hydrogen 3.303 N/A GLY 242.A N LEU 237.A O no hydrogen 2.742 N/A ASP 243.A N TYR 240.A O no hydrogen 3.090 N/A ARG 245.A N ASP 243.A OD1 no hydrogen 3.008 N/A ARG 245.A NE ASP 243.A OD1 no hydrogen 2.918 N/A ARG 245.A NH2 ASP 243.A OD2 no hydrogen 3.043 N/A ALA 246.A N ASP 243.A O no hydrogen 3.173 N/A LEU 247.A N GLU 244.A O no hydrogen 3.200 N/A HIS 250.A N LEU 247.A O no hydrogen 2.827 N/A HIS 250.A ND1 THR 211.A O no hydrogen 2.922 N/A CYS 252.A N VAL 213.A O no hydrogen 2.832 N/A CYS 252.A SG VAL 213.A O no hydrogen 3.593 N/A ALA 253.A N ARG 270.A O no hydrogen 2.943 N/A VAL 254.A N VAL 215.A O no hydrogen 2.810 N/A SER 255.A OG SER 217.A O no hydrogen 2.639 N/A SER 255.A OG LYS 218.A O no hydrogen 2.964 N/A THR 256.A N LYS 218.A O no hydrogen 2.947 N/A THR 256.A OG1 LYS 218.A O no hydrogen 2.771 N/A ASN 257.A N SER 255.A OG no hydrogen 2.909 N/A ASN 257.A ND2 THR 219.A O no hydrogen 2.730 N/A GLY 260.A N ASN 257.A OD1 no hydrogen 2.898 N/A THR 261.A N ASN 257.A O no hydrogen 3.057 N/A THR 261.A OG1 ASN 257.A O no hydrogen 3.535 N/A THR 261.A OG1 LEU 258.A O no hydrogen 3.050 N/A SER 262.A N LEU 258.A O no hydrogen 3.135 N/A SER 262.A OG LEU 258.A O no hydrogen 2.889 N/A LYS 263.A N ASP 259.A O no hydrogen 2.943 N/A PHE 264.A N GLY 260.A O no hydrogen 2.992 N/A GLY 265.A N SER 262.A O no hydrogen 2.702 N/A ILE 266.A N THR 261.A O no hydrogen 3.021 N/A ARG 270.A N GLN 267.A O no hydrogen 2.917 N/A ARG 270.A NH1.A ALA 249.A O no hydrogen 3.310 N/A ARG 270.A NH1.A PHE 251.A O no hydrogen 3.208 N/A ARG 270.A NH1.B ASP 269.A O no hydrogen 3.003 N/A VAL 271.A N SER 268.A O no hydrogen 3.146 N/A PHE 272.A N ALA 253.A O no hydrogen 2.909 N/A PHE 274.A N SER 255.A O no hydrogen 3.181 N/A VAL 278.A N TRP 275.A O no hydrogen 2.925 N/A ARG 281.A NE SER 368.A OG no hydrogen 2.828 N/A ARG 281.A NH1 GLU 367.A OE2 no hydrogen 2.921 N/A ARG 281.A NH1 GLN 516.A OE1 no hydrogen 2.776 N/A ARG 281.A NH2 SER 513.A O no hydrogen 2.842 N/A ARG 281.A NH2 ASP 515.A O no hydrogen 2.866 N/A ARG 281.A NH2 GLN 516.A OE1 no hydrogen 3.463 N/A TYR 282.A N GLY 279.A O no hydrogen 2.791 N/A TYR 282.A OH SER 368.A OG no hydrogen 2.918 N/A SER 283.A N GLY 280.A O no hydrogen 3.045 N/A SER 283.A OG GLY 280.A O no hydrogen 2.680 N/A SER 286.A N SER 283.A O no hydrogen 2.852 N/A SER 286.A OG SER 283.A O no hydrogen 2.640 N/A VAL 288.A N SER 286.A OG no hydrogen 3.136 N/A GLY 289.A N SER 286.A O no hydrogen 3.087 N/A ILE 290.A N SER 286.A O no hydrogen 2.994 N/A LEU 291.A N ALA 287.A O no hydrogen 3.048 N/A LEU 293.A N GLY 289.A O no hydrogen 2.959 N/A ALA 294.A N ILE 290.A O no hydrogen 2.847 N/A LEU 295.A N LEU 291.A O no hydrogen 2.772 N/A GLN 296.A N PRO 292.A O no hydrogen 2.986 N/A GLN 296.A NE2 ARG 186.A O no hydrogen 3.144 N/A TYR 297.A N LEU 293.A O no hydrogen 2.833 N/A TYR 297.A OH HIS 170.A ND1 no hydrogen 3.181 N/A TYR 297.A OH HIS 170.A O no hydrogen 2.735 N/A GLY 298.A N ALA 294.A O no hydrogen 2.807 N/A ALA 302.A N GLY 298.A O no hydrogen 3.528 N/A GLN 303.A N TYR 299.A O no hydrogen 2.740 N/A GLU 304.A N ASP 300.A O no hydrogen 3.092 N/A PHE 305.A N VAL 301.A O no hydrogen 3.059 N/A LEU 306.A N ALA 302.A O no hydrogen 3.027 N/A ASN 307.A N GLN 303.A O no hydrogen 2.965 N/A GLY 308.A N GLU 304.A O no hydrogen 3.030 N/A ALA 309.A N PHE 305.A O no hydrogen 3.200 N/A HIS 310.A N LEU 306.A O no hydrogen 2.895 N/A ALA 311.A N ASN 307.A O no hydrogen 2.830 N/A MET 312.A N GLY 308.A O no hydrogen 3.216 N/A ASP 313.A N ALA 309.A O no hydrogen 2.978 N/A VAL 314.A N HIS 310.A O no hydrogen 2.950 N/A HIS 315.A N ALA 311.A O no hydrogen 3.219 N/A PHE 316.A N MET 312.A O no hydrogen 2.944 N/A LYS 317.A N ASP 313.A O no hydrogen 3.011 N/A THR 318.A N VAL 314.A O no hydrogen 2.869 N/A THR 318.A N HIS 315.A O no hydrogen 3.270 N/A THR 318.A OG1 VAL 314.A O no hydrogen 2.660 N/A ALA 319.A N HIS 315.A O no hydrogen 2.786 N/A ASP 323.A N GLU 320.A O no hydrogen 2.855 N/A ASN 324.A N LEU 321.A O no hydrogen 3.166 N/A ASN 324.A ND2 PHE 316.A O no hydrogen 2.817 N/A ASN 324.A ND2 ALA 319.A O no hydrogen 3.140 N/A LEU 325.A N HIS 315.A NE2 no hydrogen 3.031 N/A MET 327.A N ASN 324.A OD1 no hydrogen 3.225 N/A LEU 328.A N ASN 324.A O no hydrogen 2.847 N/A MET 329.A N LEU 325.A O no hydrogen 2.872 N/A GLY 330.A N PRO 326.A O no hydrogen 2.907 N/A LEU 331.A N MET 327.A O no hydrogen 2.799 N/A ILE 332.A N LEU 328.A O no hydrogen 2.938 N/A SER 333.A N MET 329.A O no hydrogen 3.083 N/A SER 333.A OG GLU 386.A OE2 no hydrogen 2.502 N/A VAL 334.A N GLY 330.A O no hydrogen 3.053 N/A TRP 335.A N LEU 331.A O no hydrogen 2.915 N/A TRP 335.A NE1 LYS 60.A O no hydrogen 2.992 N/A ASN 336.A N ILE 332.A O no hydrogen 2.956 N/A ASN 336.A ND2 GLN 59.A OE1 no hydrogen 3.081 N/A ALA 337.A N SER 333.A O no hydrogen 2.780 N/A THR 338.A N VAL 334.A O no hydrogen 2.806 N/A THR 338.A OG1 VAL 334.A O no hydrogen 3.372 N/A PHE 339.A N TRP 335.A O no hydrogen 3.206 N/A PHE 340.A N TRP 335.A O no hydrogen 3.045 N/A TYR 342.A N ASN 336.A O no hydrogen 2.937 N/A SER 343.A OG ASN 344.A OD1 no hydrogen 2.587 N/A VAL 345.A N ILE 387.A O no hydrogen 2.816 N/A ALA 346.A N PRO 411.A O no hydrogen 2.923 N/A VAL 347.A N PHE 389.A O no hydrogen 2.842 N/A LEU 348.A N GLU 413.A O no hydrogen 2.916 N/A TYR 350.A N ILE 415.A O no hydrogen 2.779 N/A TYR 350.A OH GLN 397.A OE1 no hydrogen 2.375 N/A TYR 350.A OH TYR 401.A OH no hydrogen 2.963 N/A LEU 354.A N ALA 351.A O no hydrogen 3.026 N/A LEU 355.A N GLN 352.A O no hydrogen 3.005 N/A PHE 357.A N LEU 354.A O no hydrogen 2.985 N/A HIS 360.A N ARG 356.A O no hydrogen 3.265 N/A ILE 361.A N PHE 357.A O no hydrogen 2.915 N/A GLN 362.A N PRO 358.A O no hydrogen 2.811 N/A GLN 362.A NE2 PHE 388.A O no hydrogen 3.070 N/A GLN 363.A NE2 GLU 367.A OE2 no hydrogen 2.956 N/A LEU 364.A N HIS 360.A O no hydrogen 3.094 N/A THR 365.A N ILE 361.A O no hydrogen 2.903 N/A THR 365.A OG1 ILE 361.A O no hydrogen 2.615 N/A THR 365.A OG1 GLN 362.A O no hydrogen 3.170 N/A MET 366.A N GLN 362.A O no hydrogen 2.907 N/A GLU 367.A N GLN 363.A O no hydrogen 2.820 N/A SER 368.A OG TYR 282.A OH no hydrogen 2.918 N/A SER 368.A OG LEU 364.A O no hydrogen 2.489 N/A SER 368.A OG SER 513.A O no hydrogen 3.316 N/A ASN 369.A N THR 365.A O no hydrogen 3.029 N/A ASN 369.A ND2 VAL 502.A O no hydrogen 3.085 N/A GLY 370.A N MET 366.A O no hydrogen 2.954 N/A LYS 371.A NZ GLU 367.A O no hydrogen 3.514 N/A LYS 371.A NZ SER 368.A O no hydrogen 2.723 N/A LYS 371.A NZ ASN 512.A O no hydrogen 2.661 N/A LYS 371.A NZ ASP 515.A O no hydrogen 2.779 N/A LYS 371.A NZ ASP 515.A OD1 no hydrogen 2.891 N/A THR 374.A N LYS 378.A O no hydrogen 2.909 N/A MET 375.A N GLY 510.A O no hydrogen 2.797 N/A ASP 376.A N THR 374.A OG1 no hydrogen 3.261 N/A GLY 377.A N THR 374.A O no hydrogen 2.938 N/A LYS 378.A N THR 374.A OG1 no hydrogen 3.018 N/A LEU 380.A N ARG 372.A O no hydrogen 3.112 N/A GLY 385.A N ASN 369.A O no hydrogen 2.945 N/A GLU 386.A N GLU 386.A OE1 no hydrogen 2.756 N/A ILE 387.A N SER 343.A O no hydrogen 2.857 N/A PHE 389.A N VAL 345.A O no hydrogen 3.198 N/A GLY 393.A N PRO 349.A O no hydrogen 2.905 N/A GLY 396.A N PRO 392.A O no hydrogen 3.103 N/A GLN 397.A N THR 394.A O no hydrogen 2.880 N/A GLN 397.A NE2 ASN 440.A OD1 no hydrogen 3.198 N/A HIS 398.A N ASN 395.A O no hydrogen 2.963 N/A SER 399.A N GLY 396.A O no hydrogen 2.934 N/A PHE 400.A N GLY 396.A O no hydrogen 3.074 N/A TYR 401.A N GLY 396.A O no hydrogen 3.274 N/A TYR 401.A OH TYR 350.A OH no hydrogen 2.963 N/A GLN 402.A NE2 GLN 406.A OE1 no hydrogen 2.686 N/A LEU 403.A N PHE 400.A O no hydrogen 3.005 N/A ILE 404.A N PHE 400.A O no hydrogen 3.366 N/A HIS 405.A N TYR 401.A O no hydrogen 2.852 N/A HIS 405.A NE2 GLN 444.A OE1 no hydrogen 2.743 N/A GLN 406.A N GLN 402.A O no hydrogen 2.974 N/A GLN 406.A NE2 HIS 469.A O no hydrogen 3.019 N/A GLN 406.A NE2 THR 471.A O no hydrogen 2.974 N/A GLY 407.A N LEU 403.A O no hydrogen 2.696 N/A ALA 412.A N PRO 477.A O no hydrogen 3.189 N/A GLU 413.A N ALA 346.A O no hydrogen 2.811 N/A PHE 414.A N CYS 479.A O no hydrogen 2.847 N/A ILE 415.A N LEU 348.A O no hydrogen 3.084 N/A GLY 416.A N LEU 481.A O no hydrogen 2.835 N/A CYS 418.A N PHE 483.A O no hydrogen 2.818 N/A CYS 418.A SG PHE 483.A O no hydrogen 3.503 N/A LYS 419.A N PRO 484.A O no hydrogen 2.995 N/A GLN 421.A NE2 ALA 172.A O no hydrogen 2.794 N/A GLN 421.A NE2 ILE 486.A O no hydrogen 3.120 N/A ARG 422.A N SER 420.A OG no hydrogen 2.935 N/A ARG 422.A NE ALA 175.A O no hydrogen 2.664 N/A ARG 422.A NH2 ALA 175.A O no hydrogen 3.069 N/A LYS 425.A NZ LEU 426.A O no hydrogen 3.019 N/A LYS 425.A NZ GLU 429.A O no hydrogen 2.680 N/A GLU 429.A N LEU 426.A O no hydrogen 2.954 N/A ASN 433.A N ILE 424.A O no hydrogen 3.069 N/A HIS 434.A NE2 PHE 417.A O no hydrogen 2.931 N/A ASP 435.A N SER 432.A OG no hydrogen 3.096 N/A GLU 436.A N SER 432.A O no hydrogen 3.053 N/A LEU 437.A N ASN 433.A O no hydrogen 2.882 N/A MET 438.A N HIS 434.A O no hydrogen 2.846 N/A SER 439.A N ASP 435.A O no hydrogen 2.687 N/A SER 439.A OG GLU 436.A O no hydrogen 2.688 N/A ASN 440.A N LEU 437.A O no hydrogen 3.048 N/A ASN 440.A ND2 GLU 436.A O no hydrogen 2.770 N/A ASN 440.A ND2 LEU 437.A O no hydrogen 3.438 N/A PHE 442.A N MET 438.A O no hydrogen 3.028 N/A ALA 443.A N SER 439.A O no hydrogen 3.184 N/A GLN 444.A N ASN 440.A O no hydrogen 2.957 N/A ALA 447.A N ALA 443.A O no hydrogen 3.016 N/A LEU 448.A N GLN 444.A O no hydrogen 2.986 N/A ALA 449.A N PRO 445.A O no hydrogen 2.944 N/A PHE 450.A N ASP 446.A O no hydrogen 2.869 N/A GLY 451.A N ALA 447.A O no hydrogen 3.044 N/A LYS 452.A N PHE 472.A O no hydrogen 2.757 N/A LYS 452.A NZ GLU 460.A OE1 no hydrogen 3.051 N/A LYS 452.A NZ GLU 460.A OE2 no hydrogen 2.411 N/A THR 453.A N GLU 456.A OE1 no hydrogen 2.749 N/A THR 453.A OG1 GLU 455.A OE1 no hydrogen 3.248 N/A THR 453.A OG1 GLU 456.A OE1 no hydrogen 3.159 N/A GLU 456.A N THR 453.A OG1 no hydrogen 3.259 N/A LEU 457.A N THR 453.A O no hydrogen 3.030 N/A ARG 458.A N PRO 454.A O no hydrogen 2.860 N/A ARG 458.A NE GLU 464.A OE1 no hydrogen 2.897 N/A ARG 458.A NE GLU 464.A OE2 no hydrogen 3.220 N/A ARG 458.A NH2 GLU 464.A OE2 no hydrogen 2.824 N/A LYS 459.A N GLU 455.A O no hydrogen 3.105 N/A GLU 460.A N GLU 456.A O no hydrogen 2.928 N/A GLY 461.A N ARG 458.A O no hydrogen 2.558 N/A ILE 462.A N LEU 457.A O no hydrogen 3.102 N/A LEU 466.A N PRO 463.A O no hydrogen 2.996 N/A VAL 467.A N PRO 463.A O no hydrogen 3.179 N/A VAL 467.A N GLU 464.A O no hydrogen 3.306 N/A LYS 470.A N LEU 466.A O no hydrogen 3.018 N/A LYS 470.A N VAL 467.A O no hydrogen 3.261 N/A THR 471.A N PRO 468.A O no hydrogen 3.391 N/A THR 471.A OG1 VAL 467.A O no hydrogen 2.691 N/A PHE 472.A N LYS 452.A O no hydrogen 2.943 N/A ASP 475.A N ALA 449.A O no hydrogen 2.866 N/A ARG 476.A N LEU 448.A O no hydrogen 3.032 N/A ARG 476.A NH1 ILE 404.A O no hydrogen 2.880 N/A ARG 476.A NH1 GLY 407.A O no hydrogen 2.703 N/A ARG 476.A NH2 GLY 407.A O no hydrogen 3.077 N/A SER 478.A N ARG 58.A O no hydrogen 2.968 N/A CYS 479.A N ALA 412.A O no hydrogen 3.009 N/A MET 480.A N ASP 55.A O no hydrogen 2.952 N/A LEU 481.A N PHE 414.A O no hydrogen 2.784 N/A LEU 482.A N TYR 53.A O no hydrogen 2.801 N/A PHE 483.A N GLY 416.A O no hydrogen 2.928 N/A PHE 489.A N GLU 304.A OE2 no hydrogen 3.108 N/A HIS 490.A N SER 487.A OG no hydrogen 3.022 N/A ILE 491.A N SER 487.A O no hydrogen 3.007 N/A GLY 492.A N PRO 488.A O no hydrogen 2.984 N/A GLN 493.A N PHE 489.A O no hydrogen 2.949 N/A GLN 493.A NE2 GLN 50.A O no hydrogen 2.996 N/A GLN 493.A NE2 HIS 490.A ND1 no hydrogen 3.004 N/A LEU 494.A N HIS 490.A O no hydrogen 2.966 N/A LEU 495.A N ILE 491.A O no hydrogen 3.007 N/A ALA 496.A N GLY 492.A O no hydrogen 2.989 N/A LEU 497.A N GLN 493.A O no hydrogen 2.877 N/A TYR 498.A N LEU 494.A O no hydrogen 3.201 N/A TYR 498.A OH GLU 413.A OE1 no hydrogen 2.672 N/A GLU 499.A N LEU 495.A O no hydrogen 2.913 N/A HIS 500.A N ALA 496.A O no hydrogen 2.956 N/A HIS 500.A NE2 ASP 313.A OD1 no hydrogen 2.506 N/A ARG 501.A N LEU 497.A O no hydrogen 2.966 N/A ARG 501.A NE GLU 505.A OE2 no hydrogen 2.834 N/A ARG 501.A NH1 GLU 413.A OE1 no hydrogen 2.850 N/A ARG 501.A NH1 GLU 413.A OE2 no hydrogen 3.218 N/A ARG 501.A NH2 SER 333.A OG no hydrogen 3.063 N/A ARG 501.A NH2 GLU 413.A OE2 no hydrogen 2.666 N/A VAL 502.A N TYR 498.A O no hydrogen 2.946 N/A ALA 503.A N GLU 499.A O no hydrogen 3.364 N/A VAL 504.A N HIS 500.A O no hydrogen 2.833 N/A GLU 505.A N ARG 501.A O no hydrogen 3.064 N/A GLY 506.A N VAL 502.A O no hydrogen 3.087 N/A TRP 507.A N ALA 503.A O no hydrogen 2.946 N/A LEU 508.A N VAL 504.A O no hydrogen 2.813 N/A TRP 509.A N GLU 505.A O no hydrogen 3.057 N/A TRP 509.A NE1 THR 338.A OG1 no hydrogen 2.829 N/A GLY 510.A N GLY 506.A O no hydrogen 2.821 N/A GLY 510.A N TRP 507.A O no hydrogen 3.266 N/A ILE 511.A N GLY 506.A O no hydrogen 2.996 N/A ASN 512.A ND2 ASN 92.A OD1 no hydrogen 2.833 N/A SER 513.A OG ASN 369.A OD1 no hydrogen 2.756 N/A PHE 514.A N ASN 512.A OD1 no hydrogen 2.909 N/A TRP 517.A NE1 THR 94.A OG1 no hydrogen 3.198 N/A VAL 519.A N GLN 516.A O no hydrogen 3.482 N/A GLU 520.A N TRP 517.A O no hydrogen 3.300 N/A VAL 524.A N GLU 520.A O no hydrogen 3.005 N/A LEU 525.A N LEU 521.A O no hydrogen 2.917 N/A ALA 526.A N GLY 522.A O no hydrogen 2.903 N/A LYS 527.A N LYS 523.A O no hydrogen 3.102 N/A GLY 528.A N VAL 524.A O no hydrogen 3.263 N/A VAL 529.A N LEU 525.A O no hydrogen 3.053 N/A ARG 530.A N ALA 526.A O no hydrogen 2.717 N/A GLY 531.A N LYS 527.A O no hydrogen 3.210 N/A ILE 532.A N GLY 528.A O no hydrogen 3.140 N/A LEU 533.A N VAL 529.A O no hydrogen 2.860 N/A GLN 534.A N ARG 530.A O no hydrogen 2.915 N/A GLN 534.A NE2 GLU 538.A OE2 no hydrogen 2.992 N/A LYS 535.A N GLY 531.A O no hydrogen 3.136 N/A ARG 536.A N ILE 532.A O no hydrogen 3.081 N/A ARG 536.A NE LYS 540.A O no hydrogen 3.076 N/A ARG 536.A NH1 GLN 547.A OE1 no hydrogen 3.056 N/A ARG 536.A NH1 GLU 559.A OE1 no hydrogen 2.619 N/A ARG 536.A NH1 GLU 559.A OE2 no hydrogen 3.513 N/A ARG 536.A NH2 GLU 559.A OE2 no hydrogen 3.059 N/A ARG 537.A N LEU 533.A O no hydrogen 2.897 N/A ARG 537.A NH1 SER 565.A OG.B no hydrogen 3.032 N/A ARG 537.A NH2 SER 565.A OG.B no hydrogen 2.803 N/A GLU 538.A N GLN 534.A O no hydrogen 2.841 N/A GLY 539.A N ARG 536.A O no hydrogen 2.840 N/A LYS 540.A N LYS 535.A O no hydrogen 2.966 N/A ALA 541.A N GLU 544.A OE1 no hydrogen 3.036 N/A GLU 544.A N ALA 541.A O no hydrogen 2.756 N/A SER 545.A N PRO 542.A O no hydrogen 3.305 N/A SER 545.A OG PRO 542.A O no hydrogen 3.143 N/A SER 545.A OG GLN 547.A OE1 no hydrogen 2.816 N/A GLN 547.A N SER 545.A OG no hydrogen 3.065 N/A GLN 547.A NE2 GLU 559.A OE1 no hydrogen 3.124 N/A SER 548.A OG GLU 549.A OE2 no hydrogen 2.379 N/A GLU 549.A N GLY 546.A O no hydrogen 3.399 N/A LEU 550.A N GLN 547.A O no hydrogen 2.966 N/A CYS 551.A SG THR 554.A OG1 no hydrogen 3.588 N/A ARG 555.A N CYS 551.A O no hydrogen 2.979 N/A ARG 555.A NH1 LEU 550.A O no hydrogen 2.918 N/A LYS 556.A N SER 552.A O no hydrogen 3.007 N/A ILE 557.A N SER 553.A O no hydrogen 3.071 N/A LEU 558.A N THR 554.A O no hydrogen 2.936 N/A GLU 559.A N ARG 555.A O no hydrogen 3.079 N/A HIS 560.A N LYS 556.A O no hydrogen 2.951 N/A TYR 561.A N ILE 557.A O no hydrogen 2.861 N/A VAL 562.A N LEU 558.A O no hydrogen 2.772 N/A GLN 563.A N GLU 559.A O no hydrogen 2.846 N/A GLN 563.A NE2 GLU 559.A OE2 no hydrogen 3.390 N/A GLN 564.A N HIS 560.A O no hydrogen 2.926 N/A SER 565.A N VAL 562.A O no hydrogen 3.133 N/A SER 565.A OG.A TYR 561.A O no hydrogen 3.021 N/A SER 565.A OG.B TYR 561.A O no hydrogen 2.774 N/A SER 565.A OG.B VAL 562.A O no hydrogen 3.385 N/A LYS 566.A N VAL 562.A O no hydrogen 2.863 N/A