Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 93.A O no hydrogen 2.972 N/A ALA 5.A N ASN 28.A O no hydrogen 2.942 N/A LEU 6.A N VAL 96.A O no hydrogen 2.876 N/A PHE 7.A N VAL 30.A O no hydrogen 2.800 N/A SER 8.A N ALA 98.A O no hydrogen 3.005 N/A SER 8.A OG SER 32.A OG no hydrogen 2.820 N/A VAL 9.A N THR 35.A OG1 no hydrogen 3.176 N/A LYS 12.A NZ VAL 9.A O no hydrogen 2.917 N/A THR 13.A N ASP 11.A OD1 no hydrogen 3.110 N/A THR 13.A OG1 ASP 11.A OD1 no hydrogen 2.769 N/A LEU 15.A N LYS 12.A O no hydrogen 2.964 N/A PHE 18.A N GLY 14.A O no hydrogen 3.251 N/A ALA 19.A N LEU 15.A O no hydrogen 2.874 N/A ARG 20.A N VAL 16.A O no hydrogen 3.004 N/A ASN 21.A N GLU 17.A O no hydrogen 3.293 N/A ASN 21.A ND2 SER 153.A OG no hydrogen 2.973 N/A LEU 22.A N PHE 18.A O no hydrogen 3.193 N/A THR 23.A N ALA 19.A O no hydrogen 2.788 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.748 N/A ALA 24.A N ARG 20.A O no hydrogen 2.880 N/A LEU 25.A N LEU 22.A O no hydrogen 2.952 N/A GLY 26.A N THR 23.A O no hydrogen 3.025 N/A LEU 27.A N LEU 22.A O no hydrogen 3.089 N/A ASN 28.A N GLN 3.A O no hydrogen 2.905 N/A ASN 28.A ND2 GLY 2.A O no hydrogen 3.124 N/A VAL 30.A N ALA 5.A O no hydrogen 2.921 N/A ALA 31.A N ARG 47.A O no hydrogen 3.025 N/A SER 32.A N PHE 7.A O no hydrogen 3.262 N/A SER 32.A OG SER 8.A OG no hydrogen 2.820 N/A GLY 33.A N GLU 57.A OE2 no hydrogen 2.962 N/A THR 35.A OG1 VAL 9.A O no hydrogen 3.396 N/A ALA 36.A N SER 32.A O no hydrogen 2.798 N/A LYS 37.A N GLY 33.A O no hydrogen 3.166 N/A LYS 37.A NZ ASP 41.A OD2 no hydrogen 2.635 N/A ALA 38.A N GLY 34.A O no hydrogen 3.074 N/A LEU 39.A N THR 35.A O no hydrogen 3.081 N/A ARG 40.A N ALA 36.A O no hydrogen 3.033 N/A ARG 40.A NH1 ASP 48.A OD1 no hydrogen 2.839 N/A ARG 40.A NH2 VAL 46.A O no hydrogen 3.051 N/A ARG 40.A NH2 ASP 48.A OD1 no hydrogen 3.023 N/A ASP 41.A N LYS 37.A O no hydrogen 2.970 N/A ALA 42.A N LEU 39.A O no hydrogen 2.852 N/A GLY 43.A N ARG 40.A O no hydrogen 2.930 N/A LEU 44.A N LEU 39.A O no hydrogen 3.194 N/A ARG 47.A N LEU 29.A O no hydrogen 3.051 N/A ASP 48.A N GLU 51.A OE2 no hydrogen 2.917 N/A VAL 49.A N ALA 31.A O no hydrogen 3.185 N/A GLU 51.A N ASP 48.A O no hydrogen 2.863 N/A LEU 52.A N VAL 49.A O no hydrogen 2.924 N/A THR 53.A N VAL 49.A O no hydrogen 3.114 N/A THR 53.A OG1 VAL 49.A O no hydrogen 3.294 N/A THR 53.A OG1 PHE 55.A O no hydrogen 3.474 N/A GLY 54.A N SER 50.A O no hydrogen 2.695 N/A PHE 55.A N THR 53.A OG1 no hydrogen 3.175 N/A MET 58.A N VAL 63.A O no hydrogen 3.153 N/A GLY 61.A N MET 58.A O no hydrogen 3.133 N/A ARG 62.A N LEU 59.A O no hydrogen 3.257 N/A ARG 62.A NE GLU 120.A OE2 no hydrogen 3.142 N/A ARG 62.A NH2 GLU 120.A OE1 no hydrogen 3.080 N/A LYS 64.A NZ TYR 102.A OH no hydrogen 3.380 N/A HIS 67.A N THR 65.A O no hydrogen 2.981 N/A ALA 69.A N HIS 67.A ND1 no hydrogen 2.909 N/A VAL 70.A N HIS 67.A O no hydrogen 3.006 N/A HIS 71.A N HIS 67.A O no hydrogen 3.118 N/A ALA 72.A N PRO 68.A O no hydrogen 2.719 N/A ILE 74.A N VAL 70.A O no hydrogen 3.168 N/A ILE 74.A N HIS 71.A O no hydrogen 3.161 N/A LEU 75.A N HIS 71.A O no hydrogen 2.717 N/A ALA 76.A N ALA 72.A O no hydrogen 2.901 N/A ARG 77.A N ASP 82.A OD2 no hydrogen 2.684 N/A ILE 79.A N ARG 77.A O no hydrogen 3.084 N/A ASN 83.A N ILE 79.A O no hydrogen 2.857 N/A ASN 83.A ND2 ASN 78.A OD1 no hydrogen 3.546 N/A ALA 84.A N PRO 80.A O no hydrogen 2.773 N/A ASP 85.A N GLU 81.A O no hydrogen 2.793 N/A MET 86.A N ASP 82.A O no hydrogen 2.891 N/A ALA 87.A N ASN 83.A O no hydrogen 3.191 N/A ARG 88.A N ALA 84.A O no hydrogen 3.119 N/A ARG 88.A NH1 ASP 85.A OD2 no hydrogen 3.481 N/A LEU 89.A N ASP 85.A O no hydrogen 3.124 N/A ASP 90.A N ALA 87.A O no hydrogen 3.034 N/A PHE 91.A N MET 86.A O no hydrogen 2.886 N/A ILE 94.A N GLY 73.A O no hydrogen 2.893 N/A ARG 95.A N LEU 4.A O no hydrogen 2.785 N/A VAL 96.A N LEU 4.A O no hydrogen 3.488 N/A VAL 97.A N THR 141.A O no hydrogen 2.874 N/A ALA 98.A N LEU 6.A O no hydrogen 2.954 N/A CYS 99.A N VAL 143.A O no hydrogen 3.157 N/A CYS 99.A SG SER 8.A O no hydrogen 3.481 N/A CYS 99.A SG ASN 100.A O no hydrogen 3.927 N/A CYS 99.A SG GLY 126.A O no hydrogen 3.578 N/A ASN 100.A ND2 ASP 11.A O no hydrogen 2.676 N/A TYR 102.A N ASP 123.A OD2 no hydrogen 3.158 N/A TYR 102.A OH GLY 61.A O no hydrogen 3.222 N/A PHE 104.A N TYR 102.A O no hydrogen 2.768 N/A THR 107.A N PRO 103.A O no hydrogen 3.080 N/A THR 107.A OG1 PRO 103.A O no hydrogen 2.627 N/A VAL 108.A N PHE 104.A O no hydrogen 3.022 N/A ALA 109.A N LYS 106.A O no hydrogen 3.047 N/A SER 110.A N LYS 106.A O no hydrogen 3.060 N/A SER 110.A N THR 107.A O no hydrogen 3.086 N/A SER 110.A OG LYS 106.A O no hydrogen 3.146 N/A THR 114.A N GLU 117.A OE2 no hydrogen 3.148 N/A GLU 117.A N THR 114.A OG1 no hydrogen 3.258 N/A ALA 118.A N THR 114.A O no hydrogen 2.977 N/A VAL 119.A N VAL 115.A O no hydrogen 2.798 N/A GLU 120.A N GLU 116.A O no hydrogen 3.206 N/A GLN 121.A N ALA 118.A O no hydrogen 2.791 N/A ILE 122.A N VAL 119.A O no hydrogen 3.056 N/A ASP 123.A N TYR 183.A OH no hydrogen 2.892 N/A VAL 127.A N ASP 123.A OD1 no hydrogen 3.184 N/A THR 128.A N ILE 124.A O no hydrogen 3.242 N/A LEU 129.A N GLY 125.A O no hydrogen 2.926 N/A LEU 130.A N GLY 126.A O no hydrogen 3.045 N/A ARG 131.A N VAL 127.A O no hydrogen 2.935 N/A ALA 132.A N THR 128.A O no hydrogen 2.954 N/A ALA 133.A N LEU 129.A O no hydrogen 3.023 N/A ALA 134.A N LEU 130.A O no hydrogen 2.829 N/A LYS 135.A N ARG 131.A O no hydrogen 2.874 N/A ASN 136.A N ALA 132.A O no hydrogen 3.055 N/A ASN 136.A ND2 ILE 74.A O no hydrogen 2.855 N/A ASN 136.A ND2 ALA 76.A O no hydrogen 3.122 N/A HIS 137.A N ALA 134.A O no hydrogen 3.154 N/A HIS 137.A ND1 ALA 134.A O no hydrogen 2.860 N/A ARG 139.A N ASN 136.A O no hydrogen 2.972 N/A ARG 139.A NE ALA 76.A O no hydrogen 2.977 N/A ARG 139.A NH1 ILE 94.A O no hydrogen 2.907 N/A ARG 139.A NH2 GLY 73.A O no hydrogen 3.014 N/A ARG 139.A NH2 ALA 76.A O no hydrogen 2.862 N/A VAL 140.A N ASN 136.A O no hydrogen 3.075 N/A THR 141.A N ARG 95.A O no hydrogen 2.874 N/A THR 141.A OG1 THR 164.A OG1 no hydrogen 2.696 N/A VAL 143.A N VAL 97.A O no hydrogen 2.903 N/A ASP 148.A N GLU 145.A O no hydrogen 3.011 N/A TYR 149.A N PRO 146.A O no hydrogen 2.919 N/A VAL 152.A N ASP 148.A O no hydrogen 3.043 N/A SER 153.A N TYR 149.A O no hydrogen 2.816 N/A SER 153.A OG TYR 149.A O no hydrogen 2.995 N/A THR 154.A N VAL 150.A O no hydrogen 2.928 N/A THR 154.A OG1 VAL 150.A O no hydrogen 2.878 N/A GLU 155.A N VAL 151.A O no hydrogen 3.125 N/A MET 156.A N VAL 152.A O no hydrogen 2.983 N/A GLN 157.A N SER 153.A O no hydrogen 2.883 N/A SER 158.A N THR 154.A O no hydrogen 3.264 N/A SER 158.A OG THR 154.A O no hydrogen 2.814 N/A SER 159.A N GLU 155.A O no hydrogen 2.902 N/A SER 159.A OG GLU 155.A O no hydrogen 3.325 N/A SER 159.A OG MET 156.A O no hydrogen 3.031 N/A SER 159.A OG ASP 163.A O no hydrogen 2.841 N/A LYS 162.A N SER 159.A O no hydrogen 3.245 N/A ASP 163.A N SER 159.A OG no hydrogen 2.915 N/A THR 164.A OG1 THR 141.A OG1 no hydrogen 2.696 N/A SER 165.A N GLU 155.A OE1 no hydrogen 2.560 N/A SER 165.A OG GLU 155.A OE1 no hydrogen 3.196 N/A SER 165.A OG THR 168.A OG1 no hydrogen 3.084 N/A THR 168.A N SER 165.A OG no hydrogen 3.157 N/A THR 168.A OG1 GLU 155.A OE1 no hydrogen 3.110 N/A THR 168.A OG1 GLU 155.A OE2 no hydrogen 2.801 N/A THR 168.A OG1 SER 165.A OG no hydrogen 3.084 N/A ARG 169.A N SER 165.A O no hydrogen 3.097 N/A ARG 169.A NE HIS 137.A O no hydrogen 2.833 N/A ARG 169.A NH1 THR 164.A O no hydrogen 2.904 N/A ARG 169.A NH1 THR 164.A OG1 no hydrogen 3.072 N/A ARG 169.A NH2 ALA 138.A O no hydrogen 3.191 N/A ARG 170.A N LEU 166.A O no hydrogen 2.959 N/A GLN 171.A N GLU 167.A O no hydrogen 3.254 N/A LEU 172.A N THR 168.A O no hydrogen 2.994 N/A ALA 173.A N ARG 169.A O no hydrogen 2.882 N/A LEU 174.A N ARG 170.A O no hydrogen 2.877 N/A LYS 175.A N GLN 171.A O no hydrogen 3.001 N/A LYS 175.A NZ GLU 145.A OE1 no hydrogen 3.069 N/A LYS 175.A NZ ASP 148.A OD1 no hydrogen 3.412 N/A LYS 175.A NZ ASP 148.A OD2 no hydrogen 2.711 N/A ALA 176.A N LEU 172.A O no hydrogen 2.946 N/A PHE 177.A N ALA 173.A O no hydrogen 3.050 N/A THR 178.A N LEU 174.A O no hydrogen 3.038 N/A THR 178.A OG1 LEU 174.A O no hydrogen 2.850 N/A HIS 179.A N LYS 175.A O no hydrogen 2.963 N/A THR 180.A N ALA 176.A O no hydrogen 2.945 N/A THR 180.A OG1 PHE 177.A O no hydrogen 3.180 N/A ALA 181.A N PHE 177.A O no hydrogen 2.926 N/A GLN 182.A N THR 178.A O no hydrogen 2.995 N/A TYR 183.A N HIS 179.A O no hydrogen 2.963 N/A TYR 183.A OH TYR 102.A O no hydrogen 3.010 N/A ASP 184.A N THR 180.A O no hydrogen 3.133 N/A GLU 185.A N ALA 181.A O no hydrogen 3.036 N/A ALA 186.A N GLN 182.A O no hydrogen 2.969 N/A ILE 187.A N TYR 183.A O no hydrogen 3.007 N/A SER 188.A N ASP 184.A O no hydrogen 2.882 N/A SER 188.A OG ASP 184.A O no hydrogen 2.962 N/A SER 188.A OG GLU 185.A O no hydrogen 3.214 N/A ASP 189.A N GLU 185.A O no hydrogen 2.870 N/A TYR 190.A N ALA 186.A O no hydrogen 2.897 N/A PHE 191.A N ILE 187.A O no hydrogen 3.070 N/A ARG 192.A N SER 188.A O no hydrogen 2.874 N/A ARG 192.A NH2 GLU 185.A OE2 no hydrogen 3.363 N/A ARG 192.A NH2 ASP 189.A OD1 no hydrogen 3.463 N/A LYS 193.A N ASP 189.A O no hydrogen 3.165 N/A LYS 193.A NZ ASP 189.A OD2 no hydrogen 2.668 N/A GLN 194.A N TYR 190.A O no hydrogen 2.949 N/A TYR 195.A N PHE 191.A O no hydrogen 2.840 N/A SER 196.A N ARG 192.A O no hydrogen 2.796 N/A SER 196.A OG SER 200.A OG no hydrogen 2.715 N/A GLY 198.A N GLN 201.A O no hydrogen 2.758 N/A VAL 199.A N SER 196.A O no hydrogen 2.941 N/A SER 200.A N SER 196.A O no hydrogen 3.216 N/A SER 200.A N SER 196.A OG no hydrogen 3.147 N/A SER 200.A OG SER 196.A OG no hydrogen 2.715 N/A GLN 201.A N SER 196.A O no hydrogen 3.268 N/A GLN 201.A NE2 GLN 216.A OE1 no hydrogen 2.989 N/A MET 202.A N LEU 217.A O no hydrogen 2.703 N/A LEU 204.A N ALA 215.A O no hydrogen 2.909 N/A GLY 207.A N GLN 212.A O no hydrogen 2.717 N/A ASN 209.A ND2 GLN 212.A OE1 no hydrogen 3.014 N/A GLN 212.A N ASN 209.A O no hydrogen 2.894 N/A GLN 216.A NE2 ASP 189.A OD1 no hydrogen 3.196 N/A LEU 217.A N MET 202.A O no hydrogen 2.954 N/A THR 219.A N SER 200.A O no hydrogen 3.045 N/A GLN 221.A N THR 219.A OG1 no hydrogen 2.977 N/A LYS 223.A NZ LEU 224.A O no hydrogen 3.046 N/A LEU 224.A N VAL 199.A O no hydrogen 2.951 N/A THR 227.A N GLN 364.A O no hydrogen 2.902 N/A LEU 229.A N VAL 362.A O no hydrogen 2.865 N/A ASN 230.A ND2 SER 353.A O no hydrogen 3.152 N/A ASN 230.A ND2 GLY 358.A O no hydrogen 3.322 N/A ASN 230.A ND2 TYR 360.A O no hydrogen 2.925 N/A GLY 234.A N ASN 237.A OD1 no hydrogen 2.910 N/A LEU 238.A N GLY 234.A O no hydrogen 3.150 N/A CYS 239.A N PHE 235.A O no hydrogen 3.200 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.615 N/A ASP 240.A N ILE 236.A O no hydrogen 2.927 N/A ALA 241.A N ASN 237.A O no hydrogen 2.891 N/A LEU 242.A N LEU 238.A O no hydrogen 2.911 N/A ASN 243.A N CYS 239.A O no hydrogen 3.314 N/A ASN 243.A ND2 CYS 239.A O no hydrogen 3.080 N/A ALA 244.A N ASP 240.A O no hydrogen 2.761 N/A TRP 245.A N ALA 241.A O no hydrogen 2.835 N/A GLN 246.A N LEU 242.A O no hydrogen 3.462 N/A GLN 246.A NE2 LEU 242.A O no hydrogen 3.211 N/A LEU 247.A N ASN 243.A O no hydrogen 3.080 N/A VAL 248.A N ALA 244.A O no hydrogen 3.020 N/A LYS 249.A N TRP 245.A O no hydrogen 2.905 N/A LYS 249.A NZ GLN 367.A O no hydrogen 3.324 N/A GLU 250.A N GLN 246.A O no hydrogen 3.033 N/A LEU 251.A N LEU 247.A O no hydrogen 3.035 N/A LYS 252.A N VAL 248.A O no hydrogen 3.055 N/A LYS 252.A NZ ASP 321.A OD1 no hydrogen 2.846 N/A LYS 252.A NZ ASP 321.A OD2 no hydrogen 3.154 N/A GLU 253.A N LYS 249.A O no hydrogen 3.020 N/A ALA 254.A N GLU 250.A O no hydrogen 2.876 N/A LEU 255.A N LEU 251.A O no hydrogen 2.945 N/A GLY 256.A N LYS 252.A O no hydrogen 2.734 N/A ALA 259.A N SER 320.A OG no hydrogen 2.879 N/A ALA 260.A N ALA 272.A O no hydrogen 2.990 N/A ALA 261.A N ALA 318.A O no hydrogen 2.920 N/A SER 262.A N GLY 270.A O no hydrogen 3.029 N/A SER 262.A OG SER 312.A OG no hydrogen 2.876 N/A SER 262.A OG ASP 315.A OD2 no hydrogen 2.715 N/A PHE 263.A N PHE 316.A O no hydrogen 2.971 N/A LYS 264.A N SER 267.A O no hydrogen 3.008 N/A LYS 264.A NZ SER 311.A O no hydrogen 3.335 N/A LYS 264.A NZ PHE 313.A O no hydrogen 2.840 N/A VAL 266.A N ASP 240.A OD1 no hydrogen 2.667 N/A SER 267.A N LYS 264.A O no hydrogen 3.392 N/A SER 267.A OG VAL 266.A O no hydrogen 3.251 N/A ALA 269.A N SER 262.A O no hydrogen 2.595 N/A GLY 270.A N SER 262.A O no hydrogen 3.297 N/A ALA 272.A N ALA 260.A O no hydrogen 3.115 N/A VAL 273.A N GLY 437.A O no hydrogen 2.985 N/A GLY 274.A N PRO 258.A O no hydrogen 2.786 N/A ILE 275.A N VAL 273.A O no hydrogen 2.828 N/A SER 278.A N GLU 281.A OE1 no hydrogen 2.937 N/A SER 278.A OG GLU 281.A OE1 no hydrogen 3.505 N/A GLU 281.A N SER 278.A OG no hydrogen 3.296 N/A ALA 282.A N SER 278.A O no hydrogen 2.948 N/A LYS 283.A N GLU 279.A O no hydrogen 3.159 N/A VAL 284.A N ASP 280.A O no hydrogen 2.911 N/A CYS 285.A N GLU 281.A O no hydrogen 2.798 N/A CYS 285.A SG GLU 281.A O no hydrogen 3.348 N/A CYS 285.A SG ALA 302.A O no hydrogen 3.505 N/A MET 286.A N LYS 283.A O no hydrogen 2.997 N/A VAL 287.A N ALA 282.A O no hydrogen 2.812 N/A TYR 288.A OH GLU 279.A OE1 no hydrogen 3.227 N/A LEU 290.A N VAL 287.A O no hydrogen 3.028 N/A TYR 291.A N TYR 288.A O no hydrogen 2.827 N/A TYR 291.A OH LEU 277.A O no hydrogen 2.826 N/A THR 293.A N LEU 290.A O no hydrogen 2.926 N/A THR 293.A OG1 LEU 290.A O no hydrogen 2.823 N/A LEU 294.A N TYR 291.A O no hydrogen 3.241 N/A THR 295.A N SER 298.A OG no hydrogen 2.865 N/A THR 295.A OG1 SER 298.A OG no hydrogen 3.039 N/A THR 295.A OG1 ASP 324.A OD2 no hydrogen 2.457 N/A SER 298.A N THR 295.A OG1 no hydrogen 3.424 N/A SER 298.A OG THR 295.A O no hydrogen 3.227 N/A SER 298.A OG THR 295.A OG1 no hydrogen 3.039 N/A ALA 299.A N THR 295.A O no hydrogen 2.852 N/A ALA 300.A N PRO 296.A O no hydrogen 3.022 N/A TYR 301.A N ILE 297.A O no hydrogen 3.048 N/A TYR 301.A OH ASP 315.A OD2 no hydrogen 2.687 N/A ALA 302.A N SER 298.A O no hydrogen 2.814 N/A ARG 303.A N ALA 299.A O no hydrogen 2.937 N/A ARG 303.A NE ILE 275.A O no hydrogen 2.783 N/A ARG 303.A NH1 GLU 281.A OE2 no hydrogen 3.158 N/A ARG 303.A NH1 GLN 438.A OE1 no hydrogen 2.874 N/A ARG 303.A NH2 ILE 275.A O no hydrogen 3.220 N/A ARG 303.A NH2 PRO 276.A O no hydrogen 3.169 N/A ARG 303.A NH2 GLU 281.A OE1 no hydrogen 3.010 N/A ARG 303.A NH2 GLU 281.A OE2 no hydrogen 3.547 N/A ALA 304.A N ALA 300.A O no hydrogen 2.952 N/A ARG 305.A N TYR 301.A O no hydrogen 2.897 N/A ARG 305.A NH1 TYR 301.A OH no hydrogen 3.345 N/A ARG 305.A NH1 VAL 335.A O no hydrogen 3.447 N/A ARG 305.A NH2 VAL 335.A O no hydrogen 3.190 N/A GLY 306.A N ALA 302.A O no hydrogen 2.994 N/A ARG 309.A NE SER 484.A OG no hydrogen 3.357 N/A ARG 309.A NH1 GLU 334.A OE2 no hydrogen 3.241 N/A ARG 309.A NH2 GLU 334.A OE1 no hydrogen 2.956 N/A ARG 309.A NH2 GLU 334.A OE2 no hydrogen 2.958 N/A SER 311.A N ASP 308.A OD1 no hydrogen 3.377 N/A SER 312.A N ASP 308.A O no hydrogen 3.043 N/A SER 312.A OG SER 262.A OG no hydrogen 2.876 N/A SER 312.A OG ARG 305.A O no hydrogen 3.480 N/A SER 312.A OG ASP 308.A O no hydrogen 3.338 N/A PHE 313.A N MET 310.A O no hydrogen 3.239 N/A GLY 314.A N VAL 335.A O no hydrogen 2.842 N/A ASP 315.A N SER 312.A O no hydrogen 2.940 N/A PHE 316.A N PHE 263.A O no hydrogen 2.866 N/A VAL 317.A N GLY 338.A O no hydrogen 2.776 N/A ALA 318.A N ALA 261.A O no hydrogen 3.114 N/A LEU 319.A N ILE 340.A O no hydrogen 3.113 N/A SER 320.A N ALA 259.A O no hydrogen 2.901 N/A SER 320.A OG ALA 259.A O no hydrogen 3.443 N/A SER 320.A OG ASP 321.A OD1 no hydrogen 2.655 N/A CYS 323.A N GLY 343.A O no hydrogen 2.921 N/A CYS 323.A SG ASP 324.A O no hydrogen 3.677 N/A THR 327.A N ASP 324.A OD1 no hydrogen 2.887 N/A THR 327.A OG1 ASP 324.A OD1 no hydrogen 2.575 N/A ALA 328.A N ASP 324.A O no hydrogen 3.028 N/A LYS 329.A N VAL 325.A O no hydrogen 2.876 N/A ILE 330.A N PRO 326.A O no hydrogen 3.205 N/A ILE 331.A N THR 327.A O no hydrogen 3.086 N/A SER 332.A N ALA 328.A O no hydrogen 2.654 N/A ARG 333.A NH1 ASP 289.A OD2 no hydrogen 2.746 N/A ARG 333.A NH2 MET 286.A O no hydrogen 2.905 N/A ARG 333.A NH2 ASP 289.A OD1 no hydrogen 3.016 N/A GLU 334.A N ILE 331.A O no hydrogen 2.983 N/A SER 336.A OG ASP 315.A O no hydrogen 2.967 N/A SER 336.A OG ASP 315.A OD1 no hydrogen 3.031 N/A SER 336.A OG TYR 360.A OH no hydrogen 2.868 N/A ASP 337.A N ASP 315.A O no hydrogen 2.808 N/A ILE 339.A N CYS 361.A O no hydrogen 2.963 N/A ILE 340.A N VAL 317.A O no hydrogen 2.781 N/A ALA 341.A N LEU 363.A O no hydrogen 3.100 N/A TYR 344.A OH LEU 363.A O no hydrogen 2.675 N/A GLU 345.A N CYS 323.A O no hydrogen 3.029 N/A LEU 349.A N GLU 345.A O no hydrogen 2.909 N/A THR 350.A N GLU 346.A O no hydrogen 3.225 N/A THR 350.A OG1 GLU 346.A O no hydrogen 3.257 N/A ILE 351.A N GLU 347.A O no hydrogen 3.181 N/A LEU 352.A N ALA 348.A O no hydrogen 3.038 N/A SER 353.A N LEU 349.A O no hydrogen 2.824 N/A SER 353.A OG LEU 349.A O no hydrogen 2.768 N/A LYS 354.A N ILE 351.A O no hydrogen 3.143 N/A LYS 355.A N LEU 352.A O no hydrogen 2.996 N/A LYS 355.A NZ ILE 331.A O no hydrogen 3.226 N/A LYS 355.A NZ SER 332.A O no hydrogen 3.147 N/A LYS 355.A NZ GLU 334.A O no hydrogen 2.698 N/A GLY 358.A N LYS 354.A O no hydrogen 3.043 N/A ASN 359.A N LYS 356.A O no hydrogen 2.984 N/A ASN 359.A ND2 LYS 356.A O no hydrogen 3.545 N/A TYR 360.A N LYS 355.A O no hydrogen 3.158 N/A TYR 360.A OH SER 336.A OG no hydrogen 2.868 N/A VAL 362.A N ASN 230.A O no hydrogen 2.928 N/A LEU 363.A N ILE 339.A O no hydrogen 2.848 N/A GLN 364.A N THR 227.A O no hydrogen 2.862 N/A MET 365.A N ALA 341.A O no hydrogen 2.696 N/A ASP 366.A N PRO 225.A O no hydrogen 2.973 N/A SER 368.A N ASP 366.A OD1 no hydrogen 2.926 N/A SER 368.A OG ASP 366.A OD1 no hydrogen 2.853 N/A SER 368.A OG ASP 366.A OD2 no hydrogen 3.319 N/A TYR 369.A N ASP 366.A O no hydrogen 3.277 N/A ASN 374.A ND2 SER 385.A OG no hydrogen 3.234 N/A GLU 375.A N GLN 386.A O no hydrogen 2.966 N/A ARG 377.A N LEU 384.A O no hydrogen 3.041 N/A ARG 377.A NH1 HIS 588.A O no hydrogen 3.555 N/A ARG 377.A NH1 HIS 588.A OXT no hydrogen 2.868 N/A ARG 377.A NH2 HIS 588.A O no hydrogen 2.933 N/A THR 378.A OG1 HIS 383.A ND1 no hydrogen 3.172 N/A LEU 379.A N LEU 382.A O no hydrogen 2.862 N/A LEU 382.A N LEU 379.A O no hydrogen 2.920 N/A LEU 384.A N ARG 377.A O no hydrogen 3.011 N/A SER 385.A OG ASN 374.A OD1 no hydrogen 3.249 N/A GLN 386.A N GLU 375.A O no hydrogen 3.032 N/A GLN 386.A NE2 GLU 375.A OE2 no hydrogen 2.984 N/A ARG 388.A N GLU 373.A O no hydrogen 2.647 N/A ARG 388.A NH1 ASN 390.A OD1 no hydrogen 2.808 N/A ARG 388.A NH2 GLN 246.A OE1 no hydrogen 2.676 N/A GLY 391.A N ASN 389.A OD1 no hydrogen 2.909 N/A LEU 397.A N ASP 394.A O no hydrogen 2.974 N/A LEU 397.A N ASP 394.A OD1 no hydrogen 3.019 N/A PHE 398.A N LYS 395.A O no hydrogen 3.068 N/A SER 399.A N SER 396.A O no hydrogen 3.157 N/A SER 399.A OG SER 396.A O no hydrogen 2.838 N/A ASN 400.A ND2 HIS 580.A O no hydrogen 3.035 N/A VAL 402.A N LEU 578.A O no hydrogen 2.835 N/A THR 403.A OG1 ASN 405.A O no hydrogen 2.771 N/A LYS 404.A N ASP 572.A OD1 no hydrogen 2.762 N/A LYS 406.A NZ VAL 401.A O no hydrogen 3.267 N/A LYS 406.A NZ THR 403.A O no hydrogen 3.049 N/A ASP 407.A N ASN 405.A OD1 no hydrogen 2.982 N/A LEU 413.A N PRO 409.A O no hydrogen 3.014 N/A ARG 414.A N GLU 410.A O no hydrogen 3.107 N/A ARG 414.A NE ASP 415.A OD1 no hydrogen 3.125 N/A ARG 414.A NH2 ASP 415.A OD1 no hydrogen 3.400 N/A ARG 414.A NH2 ASP 415.A OD2 no hydrogen 3.356 N/A ASP 415.A N SER 411.A O no hydrogen 3.200 N/A LEU 416.A N ALA 412.A O no hydrogen 2.798 N/A ILE 417.A N LEU 413.A O no hydrogen 2.950 N/A VAL 418.A N ARG 414.A O no hydrogen 3.011 N/A ALA 419.A N ASP 415.A O no hydrogen 2.874 N/A THR 420.A N LEU 416.A O no hydrogen 2.865 N/A THR 420.A OG1 LEU 416.A O no hydrogen 2.685 N/A THR 420.A OG1 SER 533.A OG no hydrogen 2.721 N/A ILE 421.A N ILE 417.A O no hydrogen 2.968 N/A ALA 422.A N VAL 418.A O no hydrogen 2.956 N/A VAL 423.A N ALA 419.A O no hydrogen 3.023 N/A LYS 424.A N THR 420.A O no hydrogen 3.085 N/A LYS 424.A NZ GLU 250.A OE1 no hydrogen 2.856 N/A LYS 424.A NZ GLU 250.A OE2 no hydrogen 3.309 N/A LYS 424.A NZ ASN 389.A O no hydrogen 3.372 N/A LYS 424.A NZ GLY 391.A O no hydrogen 2.894 N/A TYR 425.A N ALA 422.A O no hydrogen 3.037 N/A TYR 425.A OH GLU 250.A OE2 no hydrogen 2.436 N/A THR 426.A N VAL 423.A O no hydrogen 3.155 N/A THR 426.A OG1 ALA 422.A O no hydrogen 2.830 N/A GLN 427.A N SER 267.A OG no hydrogen 2.973 N/A GLN 427.A NE2 VAL 266.A O no hydrogen 2.931 N/A SER 428.A N HIS 587.A O no hydrogen 3.007 N/A SER 428.A OG ASP 535.A OD1 no hydrogen 2.852 N/A SER 428.A OG HIS 587.A O no hydrogen 3.565 N/A ASN 429.A N GLN 446.A O no hydrogen 2.967 N/A SER 430.A N ASP 535.A OD2 no hydrogen 3.210 N/A SER 430.A OG THR 426.A O no hydrogen 3.303 N/A SER 430.A OG GLN 427.A O no hydrogen 2.951 N/A SER 430.A OG ASP 535.A OD1 no hydrogen 3.220 N/A CYS 432.A N SER 533.A O no hydrogen 2.951 N/A CYS 432.A SG TYR 433.A O no hydrogen 3.703 N/A CYS 432.A SG GLY 441.A O no hydrogen 4.038 N/A TYR 433.A N GLY 441.A O no hydrogen 2.720 N/A TYR 433.A OH THR 453.A O no hydrogen 2.920 N/A ALA 434.A N SER 531.A O no hydrogen 2.796 N/A LYS 435.A N GLN 438.A O no hydrogen 2.888 N/A ASN 436.A ND2 GLU 281.A OE2 no hydrogen 3.169 N/A GLY 437.A N ASP 415.A OD1 no hydrogen 2.689 N/A GLN 438.A N LYS 435.A O no hydrogen 2.947 N/A GLN 438.A NE2 VAL 439.A O no hydrogen 3.134 N/A VAL 439.A N ALA 271.A O no hydrogen 2.872 N/A ILE 440.A N TYR 433.A O no hydrogen 2.753 N/A GLY 441.A N TYR 433.A O no hydrogen 3.257 N/A GLY 443.A N VAL 431.A O no hydrogen 3.016 N/A GLY 445.A N GLN 427.A O no hydrogen 2.872 N/A GLN 446.A N ASN 429.A O no hydrogen 3.478 N/A GLN 446.A NE2 ALA 444.A O no hydrogen 2.679 N/A SER 448.A OG HIS 451.A ND1 no hydrogen 3.329 N/A ARG 449.A NH1 SER 430.A O no hydrogen 2.950 N/A ARG 449.A NH1 ASP 535.A OD2 no hydrogen 3.002 N/A ARG 449.A NH2 ASP 535.A OD2 no hydrogen 2.748 N/A CYS 452.A N SER 448.A O no hydrogen 3.080 N/A CYS 452.A SG ASN 429.A O no hydrogen 3.867 N/A THR 453.A N ARG 449.A O no hydrogen 2.989 N/A THR 453.A OG1 ARG 449.A O no hydrogen 3.280 N/A THR 453.A OG1 ASN 543.A OD1 no hydrogen 2.659 N/A ARG 454.A N ILE 450.A O no hydrogen 2.977 N/A LEU 455.A N HIS 451.A O no hydrogen 2.937 N/A ALA 456.A N CYS 452.A O no hydrogen 2.866 N/A GLY 457.A N THR 453.A O no hydrogen 2.989 N/A ASP 458.A N ARG 454.A O no hydrogen 2.907 N/A LYS 459.A N LEU 455.A O no hydrogen 3.211 N/A LYS 459.A NZ ILE 442.A O no hydrogen 2.960 N/A ALA 460.A N ALA 456.A O no hydrogen 2.928 N/A ASN 461.A N GLY 457.A O no hydrogen 2.937 N/A TYR 462.A N ASP 458.A O no hydrogen 2.936 N/A TRP 463.A N LYS 459.A O no hydrogen 2.994 N/A TRP 464.A N ALA 460.A O no hydrogen 3.053 N/A TRP 464.A NE1 TRP 523.A O no hydrogen 2.839 N/A LEU 465.A N ASN 461.A O no hydrogen 2.707 N/A ARG 466.A N TYR 462.A O no hydrogen 3.145 N/A ARG 466.A NH1 GLY 306.A O no hydrogen 3.051 N/A ARG 466.A NH1 ALA 307.A O no hydrogen 3.106 N/A ARG 466.A NH2 VAL 284.A O no hydrogen 3.321 N/A ARG 466.A NH2 GLY 306.A O no hydrogen 2.693 N/A HIS 467.A N TRP 464.A O no hydrogen 2.795 N/A HIS 467.A ND1 TRP 463.A O no hydrogen 2.759 N/A HIS 468.A N LEU 465.A O no hydrogen 3.196 N/A GLN 470.A N HIS 468.A ND1 no hydrogen 3.037 N/A VAL 471.A N HIS 468.A O no hydrogen 2.776 N/A LEU 472.A N HIS 468.A O no hydrogen 3.016 N/A SER 473.A N PRO 469.A O no hydrogen 2.918 N/A SER 473.A OG PRO 469.A O no hydrogen 2.904 N/A MET 474.A N VAL 471.A O no hydrogen 3.182 N/A LYS 477.A N LEU 507.A O no hydrogen 2.733 N/A VAL 480.A N LYS 477.A O no hydrogen 3.144 N/A ASN 485.A N GLU 482.A O no hydrogen 2.908 N/A ALA 486.A N GLU 482.A O no hydrogen 3.247 N/A ILE 487.A N ILE 483.A O no hydrogen 3.126 N/A ASP 488.A N SER 484.A O no hydrogen 3.397 N/A GLN 489.A N ASN 485.A O no hydrogen 3.222 N/A TYR 490.A N ALA 486.A O no hydrogen 3.014 N/A TYR 490.A OH GLU 513.A O no hydrogen 2.842 N/A VAL 491.A N ILE 487.A O no hydrogen 2.972 N/A THR 492.A N ASP 488.A O no hydrogen 2.863 N/A THR 492.A OG1 ASP 488.A O no hydrogen 2.428 N/A THR 492.A OG1 ASP 488.A OD1 no hydrogen 3.421 N/A THR 492.A OG1 THR 494.A OG1 no hydrogen 2.858 N/A GLY 493.A N TYR 490.A O no hydrogen 3.405 N/A THR 494.A N GLN 489.A O no hydrogen 2.891 N/A THR 494.A OG1 THR 492.A OG1 no hydrogen 2.858 N/A ASP 500.A N GLU 497.A O no hydrogen 3.154 N/A ILE 502.A N ASP 498.A O no hydrogen 3.219 N/A LYS 503.A N GLU 499.A O no hydrogen 3.181 N/A TRP 504.A N ASP 500.A O no hydrogen 2.879 N/A TRP 504.A NE1 ALA 486.A O no hydrogen 3.251 N/A LYS 505.A N LEU 501.A O no hydrogen 2.598 N/A ALA 506.A N ILE 502.A O no hydrogen 3.109 N/A LEU 507.A N TRP 504.A O no hydrogen 3.168 N/A GLU 509.A N LYS 475.A O no hydrogen 2.793 N/A THR 516.A N GLU 519.A OE1 no hydrogen 2.687 N/A GLU 519.A N THR 516.A OG1 no hydrogen 2.962 N/A LYS 520.A N THR 516.A O no hydrogen 2.919 N/A LYS 521.A N GLU 517.A O no hydrogen 3.175 N/A GLU 522.A N GLU 519.A O no hydrogen 3.164 N/A TRP 523.A N GLU 519.A O no hydrogen 2.953 N/A TRP 523.A NE1 TRP 464.A O no hydrogen 2.982 N/A VAL 524.A N LYS 520.A O no hydrogen 3.005 N/A GLU 525.A N LYS 521.A O no hydrogen 3.362 N/A LYS 526.A N TRP 523.A O no hydrogen 2.918 N/A LEU 527.A N VAL 524.A O no hydrogen 2.842 N/A VAL 530.A N GLY 551.A O no hydrogen 2.878 N/A SER 531.A N ALA 434.A O no hydrogen 2.942 N/A ILE 532.A N TYR 554.A O no hydrogen 2.913 N/A SER 533.A N CYS 432.A O no hydrogen 2.980 N/A SER 533.A OG THR 420.A OG1 no hydrogen 2.721 N/A SER 534.A N ALA 556.A O no hydrogen 3.102 N/A SER 534.A OG ALA 536.A O no hydrogen 2.630 N/A ASP 535.A N SER 430.A O no hydrogen 2.964 N/A ARG 541.A NE ASP 545.A OD2 no hydrogen 3.237 N/A ARG 541.A NH1 GLU 573.A OE1 no hydrogen 3.087 N/A ARG 541.A NH2 ASP 545.A OD1 no hydrogen 2.922 N/A ARG 541.A NH2 GLU 573.A OE2 no hydrogen 3.048 N/A ASN 543.A N PHE 540.A O no hydrogen 3.452 N/A ASN 543.A ND2 PHE 540.A O no hydrogen 3.167 N/A ASP 545.A N ARG 541.A O no hydrogen 2.918 N/A ARG 546.A N ASP 542.A O no hydrogen 2.971 N/A ARG 546.A NH1 ARG 546.A O no hydrogen 2.724 N/A ARG 546.A NH1 SER 550.A OG no hydrogen 2.770 N/A ARG 546.A NH2 ASP 458.A OD1 no hydrogen 3.061 N/A ARG 546.A NH2 SER 550.A OG no hydrogen 3.338 N/A ALA 547.A N ASN 543.A O no hydrogen 3.038 N/A LYS 548.A N VAL 544.A O no hydrogen 3.001 N/A LYS 548.A NZ LEU 574.A O no hydrogen 2.800 N/A ARG 549.A N ARG 546.A O no hydrogen 3.040 N/A SER 550.A N ALA 547.A O no hydrogen 2.845 N/A SER 550.A OG ASN 461.A OD1 no hydrogen 2.916 N/A GLY 551.A N LYS 548.A O no hydrogen 3.271 N/A VAL 552.A N ALA 547.A O no hydrogen 3.418 N/A ALA 553.A N VAL 530.A O no hydrogen 2.756 N/A TYR 554.A N VAL 530.A O no hydrogen 3.467 N/A ILE 555.A N ILE 577.A O no hydrogen 2.927 N/A ALA 556.A N ILE 532.A O no hydrogen 2.887 N/A ALA 557.A N ALA 579.A O no hydrogen 3.175 N/A SER 559.A N THR 581.A O no hydrogen 2.944 N/A GLY 560.A N ASP 564.A OD2 no hydrogen 3.401 N/A SER 561.A N ASP 564.A OD1 no hydrogen 3.031 N/A VAL 567.A N ALA 563.A O no hydrogen 2.793 N/A ILE 568.A N ASP 564.A O no hydrogen 2.808 N/A GLU 569.A N LYS 565.A O no hydrogen 3.048 N/A ALA 570.A N VAL 566.A O no hydrogen 2.865 N/A CYS 571.A N VAL 567.A O no hydrogen 3.009 N/A CYS 571.A SG VAL 567.A O no hydrogen 3.477 N/A ASP 572.A N ILE 568.A O no hydrogen 3.010 N/A GLU 573.A N GLU 569.A O no hydrogen 2.879 N/A LEU 574.A N ALA 570.A O no hydrogen 2.801 N/A GLY 575.A N ASP 572.A O no hydrogen 3.407 N/A ILE 576.A N CYS 571.A O no hydrogen 2.766 N/A ILE 577.A N ALA 553.A O no hydrogen 3.041 N/A LEU 578.A N THR 403.A OG1 no hydrogen 3.313 N/A ALA 579.A N ILE 555.A O no hydrogen 2.852 N/A HIS 580.A N ASN 400.A O no hydrogen 3.117 N/A THR 581.A N ALA 557.A O no hydrogen 2.972 N/A LEU 583.A N THR 581.A OG1 no hydrogen 3.181 N/A LEU 585.A N ASP 535.A O no hydrogen 2.897 N/A HIS 587.A N SER 428.A OG no hydrogen 2.898 N/A