Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qxl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ALA 15.A O no hydrogen 2.711 N/A LEU 5.A N CYS 140.A O no hydrogen 2.882 N/A ASP 6.A N VAL 13.A O no hydrogen 2.945 N/A ASN 11.A ND2 ASN 10.A OD1 no hydrogen 2.561 N/A SER 12.A N THR 34.A O no hydrogen 2.742 N/A SER 12.A OG SER 36.A OG no hydrogen 3.002 N/A VAL 13.A N ASP 6.A O no hydrogen 3.117 N/A ALA 15.A N GLY 4.A O no hydrogen 2.920 N/A VAL 16.A N ASP 23.A O no hydrogen 2.966 N/A ALA 17.A N PRO 2.A O no hydrogen 3.312 N/A ARG 18.A N GLY 21.A O no hydrogen 2.958 N/A ARG 18.A NH2 ASP 131.A OD2 no hydrogen 3.067 N/A ASP 23.A N VAL 16.A O no hydrogen 2.981 N/A VAL 25.A N LEU 14.A O no hydrogen 3.043 N/A ASN 27.A N ASN 31.A O no hydrogen 2.870 N/A ASN 27.A ND2 THR 34.A OG1 no hydrogen 3.125 N/A ASN 27.A ND2 GLU 49.A OE1 no hydrogen 2.663 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.698 N/A VAL 29.A N ASN 27.A OD1 no hydrogen 3.091 N/A SER 30.A N ASN 27.A O no hydrogen 2.812 N/A ASN 31.A N ASN 27.A OD1 no hydrogen 2.916 N/A ASN 31.A ND2 GLU 49.A OE1 no hydrogen 3.300 N/A ARG 32.A NE GLU 368.A OE2 no hydrogen 3.157 N/A ARG 32.A NH2 GLU 368.A OE1 no hydrogen 3.407 N/A ARG 32.A NH2 GLU 368.A OE2 no hydrogen 3.031 N/A THR 34.A N SER 12.A O no hydrogen 2.902 N/A SER 36.A N ASN 10.A O no hydrogen 2.887 N/A SER 36.A OG GLY 8.A O no hydrogen 2.556 N/A SER 36.A OG SER 12.A OG no hydrogen 3.002 N/A VAL 37.A N PRO 35.A O no hydrogen 2.954 N/A VAL 38.A N VAL 63.A O no hydrogen 2.913 N/A GLY 39.A N TYR 46.A O no hydrogen 2.681 N/A PHE 40.A N ASN 61.A O no hydrogen 3.082 N/A GLY 41.A N ASN 44.A O no hydrogen 2.821 N/A LYS 43.A NZ GLU 528.A OE2 no hydrogen 3.324 N/A ASN 44.A ND2 ARG 45.A O no hydrogen 2.964 N/A ARG 45.A N ASP 521.A OD1 no hydrogen 2.903 N/A ARG 45.A NE ASP 521.A OD2 no hydrogen 2.868 N/A ARG 45.A NH1 GLU 514.A OE1 no hydrogen 2.790 N/A ARG 45.A NH1 GLU 514.A OE2 no hydrogen 3.330 N/A ARG 45.A NH2 GLU 514.A OE2 no hydrogen 3.045 N/A ARG 45.A NH2 ASP 521.A OD2 no hydrogen 3.211 N/A TYR 46.A N GLY 39.A O no hydrogen 2.694 N/A GLY 48.A N VAL 37.A O no hydrogen 2.982 N/A LYS 52.A N GLY 48.A O no hydrogen 3.022 N/A LYS 52.A NZ GLN 55.A OE1 no hydrogen 2.729 N/A ASN 53.A N GLU 49.A O no hydrogen 3.069 N/A LYS 54.A N THR 50.A O no hydrogen 3.260 N/A GLN 55.A N LYS 52.A O no hydrogen 3.199 N/A SER 57.A OG LYS 54.A O no hydrogen 3.553 N/A ASN 58.A N LYS 54.A O no hydrogen 2.703 N/A ASN 58.A ND2 PHE 40.A O no hydrogen 2.898 N/A ILE 59.A N THR 56.A O no hydrogen 3.336 N/A ASN 61.A N ASN 58.A O no hydrogen 2.916 N/A ASN 61.A ND2 ASN 58.A OD1 no hydrogen 3.326 N/A THR 62.A OG1 ASN 58.A O no hydrogen 2.995 N/A VAL 63.A N VAL 38.A O no hydrogen 2.732 N/A ASN 65.A ND2 HIS 85.A O no hydrogen 2.871 N/A LYS 67.A NZ LEU 7.A O no hydrogen 2.760 N/A ARG 68.A N ASN 65.A O no hydrogen 3.206 N/A ARG 68.A NE GLU 82.A OE1 no hydrogen 3.066 N/A ARG 68.A NH1 SER 205.A OG no hydrogen 3.069 N/A ARG 68.A NH1 LYS 228.A O no hydrogen 2.925 N/A ARG 68.A NH2 GLU 82.A OE1 no hydrogen 3.374 N/A ARG 68.A NH2 GLU 82.A OE2 no hydrogen 2.760 N/A ARG 68.A NH2 LYS 228.A O no hydrogen 2.785 N/A LEU 72.A N ILE 69.A O no hydrogen 3.020 N/A TYR 74.A N LYS 96.A O no hydrogen 2.821 N/A HIS 75.A N ASP 73.A OD1 no hydrogen 3.385 N/A HIS 76.A N ASP 73.A O no hydrogen 2.926 N/A ASP 78.A N HIS 76.A ND1 no hydrogen 3.210 N/A PHE 79.A N HIS 76.A O no hydrogen 2.921 N/A GLU 82.A N ASP 78.A O no hydrogen 3.304 N/A GLU 82.A N PHE 79.A O no hydrogen 3.128 N/A SER 83.A N PHE 79.A O no hydrogen 2.776 N/A LYS 84.A N GLU 80.A O no hydrogen 3.157 N/A HIS 85.A N GLU 82.A O no hydrogen 3.256 N/A PHE 86.A N SER 83.A O no hydrogen 2.959 N/A SER 88.A OG THR 62.A O no hydrogen 3.247 N/A LYS 89.A NZ GLU 101.A OE2 no hydrogen 2.865 N/A VAL 91.A N GLY 99.A O no hydrogen 2.888 N/A LEU 93.A N LYS 97.A O no hydrogen 2.899 N/A LYS 96.A N LEU 93.A O no hydrogen 3.028 N/A LYS 97.A N ASP 95.A OD1 no hydrogen 3.033 N/A LYS 97.A NZ GLY 71.A O no hydrogen 3.132 N/A LYS 97.A NZ GLU 150.A OE1 no hydrogen 3.137 N/A LYS 97.A NZ GLU 150.A OE2 no hydrogen 3.417 N/A THR 98.A OG1 LEU 72.A O no hydrogen 2.862 N/A GLY 99.A N VAL 91.A O no hydrogen 2.832 N/A ALA 100.A N PHE 111.A O no hydrogen 2.906 N/A GLU 101.A N LYS 89.A O no hydrogen 2.918 N/A VAL 102.A N HIS 109.A O no hydrogen 2.976 N/A ARG 103.A N ASN 61.A OD1 no hydrogen 2.747 N/A PHE 104.A N GLU 107.A O no hydrogen 2.736 N/A ALA 105.A N GLY 41.A O no hydrogen 2.910 N/A GLU 107.A N PHE 104.A O no hydrogen 3.170 N/A LYS 108.A NZ GLU 101.A OE1 no hydrogen 3.089 N/A LYS 108.A NZ GLU 101.A OE2 no hydrogen 3.344 N/A HIS 109.A N VAL 102.A O no hydrogen 2.856 N/A PHE 111.A N ALA 100.A O no hydrogen 3.045 N/A SER 112.A N GLN 115.A OE1 no hydrogen 3.054 N/A GLN 115.A N SER 112.A OG no hydrogen 3.390 N/A LEU 116.A N SER 112.A O no hydrogen 2.985 N/A ALA 117.A N ALA 113.A O no hydrogen 3.060 N/A ALA 118.A N THR 114.A O no hydrogen 3.175 N/A MET 119.A N GLN 115.A O no hydrogen 3.022 N/A PHE 120.A N LEU 116.A O no hydrogen 3.340 N/A ILE 121.A N ALA 117.A O no hydrogen 2.877 N/A ASP 122.A N ALA 118.A O no hydrogen 2.853 N/A LYS 123.A N MET 119.A O no hydrogen 3.116 N/A VAL 124.A N PHE 120.A O no hydrogen 3.023 N/A LYS 125.A N ILE 121.A O no hydrogen 2.849 N/A LYS 125.A NZ ALA 162.A O no hydrogen 3.063 N/A ASP 126.A N ASP 122.A O no hydrogen 3.034 N/A THR 127.A N LYS 123.A O no hydrogen 3.167 N/A THR 127.A OG1 LYS 123.A O no hydrogen 3.263 N/A VAL 128.A N VAL 124.A O no hydrogen 3.018 N/A LYS 129.A N LYS 125.A O no hydrogen 3.031 N/A GLN 130.A N ASP 126.A O no hydrogen 3.038 N/A ASP 131.A N VAL 128.A O no hydrogen 3.248 N/A THR 132.A N VAL 128.A O no hydrogen 2.854 N/A THR 132.A OG1 VAL 128.A O no hydrogen 2.747 N/A LYS 133.A N LYS 129.A O no hydrogen 2.853 N/A LYS 133.A NZ GLN 130.A O no hydrogen 3.242 N/A ALA 134.A N THR 132.A OG1 no hydrogen 3.244 N/A VAL 139.A N ASN 165.A O no hydrogen 2.924 N/A CYS 140.A N PHE 3.A O no hydrogen 2.940 N/A CYS 140.A SG ARG 168.A O no hydrogen 3.439 N/A ILE 141.A N ARG 168.A O no hydrogen 3.258 N/A ALA 142.A N LEU 5.A O no hydrogen 2.915 N/A VAL 143.A N VAL 170.A O no hydrogen 2.872 N/A TRP 146.A NE1 SER 206.A OG no hydrogen 2.606 N/A TYR 147.A N PRO 144.A O no hydrogen 3.061 N/A TYR 147.A OH LYS 67.A O no hydrogen 2.675 N/A THR 148.A N GLN 151.A OE1 no hydrogen 2.884 N/A THR 148.A OG1 GLN 151.A OE1 no hydrogen 3.544 N/A GLN 151.A N THR 148.A OG1 no hydrogen 3.182 N/A GLN 151.A NE2 ILE 70.A O no hydrogen 2.801 N/A ARG 152.A N THR 148.A O no hydrogen 2.985 N/A ARG 152.A NE TYR 147.A O no hydrogen 2.857 N/A ARG 152.A NH1 ASN 171.A OD1 no hydrogen 2.874 N/A ARG 152.A NH2 TYR 147.A O no hydrogen 3.143 N/A ARG 152.A NH2 ASN 171.A OD1 no hydrogen 2.772 N/A TYR 153.A N GLU 149.A O no hydrogen 3.053 N/A ASN 154.A N GLU 150.A O no hydrogen 2.921 N/A ILE 155.A N GLN 151.A O no hydrogen 3.010 N/A ALA 156.A N ARG 152.A O no hydrogen 3.279 N/A ASP 157.A N TYR 153.A O no hydrogen 2.972 N/A ALA 158.A N ASN 154.A O no hydrogen 2.862 N/A ALA 159.A N ILE 155.A O no hydrogen 2.979 N/A ARG 160.A N ALA 156.A O no hydrogen 3.137 N/A ARG 160.A NH1 ASP 157.A OD1 no hydrogen 3.102 N/A ILE 161.A N ASP 157.A O no hydrogen 2.871 N/A ALA 162.A N ALA 158.A O no hydrogen 2.986 N/A GLY 163.A N ARG 160.A O no hydrogen 2.964 N/A LEU 164.A N ALA 159.A O no hydrogen 2.937 N/A ASN 165.A N THR 137.A O no hydrogen 2.819 N/A ASN 165.A ND2 ASP 138.A OD2 no hydrogen 3.026 N/A VAL 167.A N VAL 139.A O no hydrogen 3.001 N/A ILE 169.A N SER 472.A OG no hydrogen 2.912 N/A VAL 170.A N ILE 141.A O no hydrogen 2.925 N/A ASN 171.A ND2 ASP 389.A OD2 no hydrogen 2.760 N/A ASP 172.A N VAL 143.A O no hydrogen 2.676 N/A THR 174.A OG1 ASP 389.A OD2 no hydrogen 2.695 N/A ALA 175.A N ASN 171.A O no hydrogen 3.070 N/A ALA 176.A N ASP 172.A O no hydrogen 3.106 N/A GLY 177.A N VAL 173.A O no hydrogen 2.937 N/A VAL 178.A N THR 174.A O no hydrogen 3.028 N/A SER 179.A N ALA 175.A O no hydrogen 3.292 N/A SER 179.A OG ALA 369.A O no hydrogen 2.857 N/A TYR 180.A N ALA 176.A O no hydrogen 3.043 N/A GLY 181.A N GLY 177.A O no hydrogen 2.888 N/A ILE 182.A N VAL 178.A O no hydrogen 2.853 N/A LYS 184.A N TYR 180.A O no hydrogen 3.016 N/A GLU 192.A N GLU 189.A O no hydrogen 3.258 N/A ARG 195.A N PHE 214.A O no hydrogen 2.825 N/A ARG 195.A NH1 TYR 180.A OH no hydrogen 3.364 N/A ARG 195.A NH1 ASP 186.A OD2 no hydrogen 3.105 N/A ARG 195.A NH2 ASP 186.A OD2 no hydrogen 2.655 N/A ILE 196.A N ASP 334.A OD2 no hydrogen 2.963 N/A VAL 197.A N MET 212.A O no hydrogen 2.965 N/A ALA 198.A N PHE 335.A O no hydrogen 2.917 N/A PHE 199.A N SER 210.A O no hydrogen 2.800 N/A VAL 200.A N GLU 337.A O no hydrogen 2.854 N/A ASP 201.A N THR 208.A O no hydrogen 2.873 N/A ILE 202.A N ILE 339.A O no hydrogen 3.368 N/A GLY 203.A N SER 206.A O no hydrogen 2.978 N/A HIS 204.A ND1 ASN 9.A OD1 no hydrogen 2.921 N/A TYR 207.A N ASP 227.A O no hydrogen 3.049 N/A TYR 207.A OH VAL 315.A O no hydrogen 2.696 N/A THR 208.A N ASP 201.A O no hydrogen 2.788 N/A CYS 209.A N ALA 225.A O no hydrogen 2.886 N/A CYS 209.A SG PHE 199.A O no hydrogen 3.961 N/A SER 210.A N PHE 199.A O no hydrogen 2.878 N/A SER 210.A OG GLY 223.A O no hydrogen 3.501 N/A SER 210.A OG THR 224.A OG1 no hydrogen 2.984 N/A ILE 211.A N GLY 223.A O no hydrogen 2.724 N/A MET 212.A N VAL 197.A O no hydrogen 2.902 N/A ALA 213.A N LYS 220.A O no hydrogen 2.768 N/A PHE 214.A N ARG 195.A O no hydrogen 2.723 N/A LYS 215.A N GLN 218.A O no hydrogen 3.199 N/A LYS 215.A NZ GLY 190.A O no hydrogen 2.758 N/A LYS 215.A NZ GLU 192.A O no hydrogen 3.452 N/A LYS 216.A N PRO 188.A O no hydrogen 3.006 N/A GLN 218.A N LYS 215.A O no hydrogen 3.189 N/A LEU 219.A N LYS 386.A O no hydrogen 3.132 N/A LYS 220.A N ALA 213.A O no hydrogen 2.959 N/A VAL 221.A N GLU 388.A O no hydrogen 3.083 N/A LEU 222.A N ILE 211.A O no hydrogen 2.698 N/A GLY 223.A N ILE 211.A O no hydrogen 3.336 N/A THR 224.A N GLN 325.A OE1 no hydrogen 2.868 N/A THR 224.A OG1 SER 210.A OG no hydrogen 2.984 N/A ALA 225.A N CYS 209.A O no hydrogen 2.927 N/A CYS 226.A SG THR 208.A OG1 no hydrogen 3.389 N/A ASP 227.A N TYR 207.A O no hydrogen 2.743 N/A LYS 228.A NZ ASP 78.A OD2 no hydrogen 2.952 N/A HIS 229.A N ASP 227.A OD1 no hydrogen 3.191 N/A HIS 229.A NE2 ASP 78.A OD2 no hydrogen 2.942 N/A PHE 230.A N SER 205.A O no hydrogen 3.221 N/A GLY 231.A N ASP 234.A OD2 no hydrogen 3.216 N/A GLY 232.A N GLY 203.A O no hydrogen 2.826 N/A ARG 233.A N HIS 204.A O no hydrogen 2.820 N/A ARG 233.A NH1 ASN 65.A OD1 no hydrogen 3.226 N/A ARG 233.A NH2 GLU 82.A OE1 no hydrogen 2.991 N/A ASP 234.A N GLY 231.A O no hydrogen 3.183 N/A ASP 236.A N GLY 232.A O no hydrogen 2.982 N/A LEU 237.A N ARG 233.A O no hydrogen 2.879 N/A ALA 238.A N ASP 234.A O no hydrogen 3.123 N/A ILE 239.A N PHE 235.A O no hydrogen 3.081 N/A THR 240.A N ASP 236.A O no hydrogen 3.131 N/A GLU 241.A N LEU 237.A O no hydrogen 2.994 N/A HIS 242.A N ALA 238.A O no hydrogen 3.072 N/A PHE 243.A N ILE 239.A O no hydrogen 3.028 N/A ALA 244.A N THR 240.A O no hydrogen 2.841 N/A ASP 245.A N GLU 241.A O no hydrogen 3.301 N/A GLU 246.A N HIS 242.A O no hydrogen 3.125 N/A PHE 247.A N PHE 243.A O no hydrogen 2.768 N/A LYS 248.A N ALA 244.A O no hydrogen 3.257 N/A THR 249.A N ASP 245.A O no hydrogen 3.470 N/A LYS 250.A N GLU 246.A O no hydrogen 2.812 N/A LYS 250.A NZ TYR 251.A OH no hydrogen 2.848 N/A TYR 251.A N PHE 247.A O no hydrogen 2.795 N/A TYR 251.A OH SER 296.A O no hydrogen 3.161 N/A LYS 252.A NZ THR 249.A O no hydrogen 2.754 N/A ILE 253.A N PHE 247.A O no hydrogen 3.518 N/A ARG 256.A N ASP 254.A OD1 no hydrogen 3.145 N/A ARG 256.A NH2 ASP 245.A OD1 no hydrogen 2.398 N/A GLU 257.A N ASP 254.A O no hydrogen 3.021 N/A ASN 258.A N ILE 255.A O no hydrogen 3.345 N/A LYS 260.A N ASN 258.A OD1 no hydrogen 3.018 N/A LYS 260.A NZ SER 57.A O no hydrogen 3.198 N/A ALA 261.A N ASN 258.A OD1 no hydrogen 3.260 N/A TYR 262.A N ASN 258.A O no hydrogen 3.026 N/A TYR 262.A OH GLU 241.A OE2 no hydrogen 2.459 N/A ASN 263.A N PRO 259.A O no hydrogen 3.094 N/A ASN 263.A ND2 THR 56.A OG1 no hydrogen 2.796 N/A ARG 264.A N LYS 260.A O no hydrogen 2.986 N/A ARG 264.A NH1 VAL 289.A O no hydrogen 2.938 N/A ILE 265.A N ALA 261.A O no hydrogen 3.123 N/A LEU 266.A N TYR 262.A O no hydrogen 2.838 N/A THR 267.A N ASN 263.A O no hydrogen 3.011 N/A THR 267.A OG1 ASN 263.A O no hydrogen 2.616 N/A ALA 268.A N ARG 264.A O no hydrogen 3.284 N/A ALA 269.A N ILE 265.A O no hydrogen 2.759 N/A GLU 270.A N LEU 266.A O no hydrogen 3.213 N/A LEU 272.A N ALA 268.A O no hydrogen 3.038 N/A LYS 273.A N ALA 269.A O no hydrogen 2.883 N/A LYS 273.A NZ ASP 236.A OD1 no hydrogen 2.723 N/A LYS 273.A NZ ASP 236.A OD2 no hydrogen 3.474 N/A LYS 274.A N GLU 270.A O no hydrogen 3.255 N/A LYS 274.A NZ GLU 270.A OE2 no hydrogen 3.450 N/A VAL 275.A N LYS 271.A O no hydrogen 3.181 N/A LEU 276.A N LEU 272.A O no hydrogen 3.112 N/A SER 277.A N LYS 274.A O no hydrogen 3.058 N/A ALA 278.A N VAL 275.A O no hydrogen 3.157 N/A ASN 279.A N VAL 275.A O no hydrogen 2.776 N/A ALA 282.A N LEU 299.A O no hydrogen 2.926 N/A PHE 284.A N SER 297.A O no hydrogen 2.743 N/A VAL 286.A N VAL 295.A O no hydrogen 3.176 N/A SER 288.A N ASP 294.A OD1 no hydrogen 2.840 N/A SER 288.A OG ASP 292.A OD2 no hydrogen 2.865 N/A VAL 289.A N VAL 293.A O no hydrogen 2.905 N/A VAL 293.A N MET 290.A O no hydrogen 2.757 N/A VAL 295.A N VAL 286.A O no hydrogen 2.885 N/A SER 296.A N TYR 251.A OH no hydrogen 2.871 N/A SER 297.A N PHE 284.A O no hydrogen 2.579 N/A SER 297.A OG GLU 246.A OE1 no hydrogen 2.766 N/A SER 297.A OG GLU 246.A OE2 no hydrogen 3.281 N/A LEU 299.A N ALA 282.A O no hydrogen 2.908 N/A SER 300.A N GLU 303.A OE1 no hydrogen 3.297 N/A ARG 301.A N THR 280.A O no hydrogen 2.808 N/A ARG 301.A NE LEU 276.A O no hydrogen 2.852 N/A ARG 301.A NH2 LEU 276.A O no hydrogen 3.128 N/A GLU 303.A N SER 300.A OG no hydrogen 2.968 N/A LEU 304.A N SER 300.A O no hydrogen 2.988 N/A GLU 305.A N ARG 301.A O no hydrogen 2.921 N/A GLU 306.A N GLU 302.A O no hydrogen 3.153 N/A LEU 307.A N GLU 303.A O no hydrogen 3.095 N/A VAL 308.A N LEU 304.A O no hydrogen 3.354 N/A LYS 309.A N GLU 306.A O no hydrogen 3.291 N/A LYS 309.A NZ GLU 305.A O no hydrogen 3.025 N/A LEU 312.A N VAL 308.A O no hydrogen 2.868 N/A ARG 314.A N LEU 311.A O no hydrogen 3.181 N/A ARG 314.A NE ASP 227.A OD2 no hydrogen 2.897 N/A ARG 314.A NH2 ASP 227.A OD2 no hydrogen 3.289 N/A VAL 315.A N LEU 312.A O no hydrogen 3.248 N/A GLU 317.A N ARG 314.A O no hydrogen 3.401 N/A THR 320.A N THR 316.A O no hydrogen 3.018 N/A THR 320.A OG1 THR 316.A O no hydrogen 3.134 N/A LYS 321.A N GLU 317.A O no hydrogen 2.924 N/A ALA 322.A N PRO 318.A O no hydrogen 3.077 N/A LEU 323.A N VAL 319.A O no hydrogen 3.039 N/A ALA 324.A N THR 320.A O no hydrogen 2.999 N/A GLN 325.A N LYS 321.A O no hydrogen 3.152 N/A ALA 326.A N ALA 322.A O no hydrogen 3.008 N/A LYS 327.A N ALA 324.A O no hydrogen 3.164 N/A LEU 328.A N LEU 323.A O no hydrogen 2.952 N/A SER 329.A N GLU 332.A OE1 no hydrogen 2.980 N/A GLU 332.A N SER 329.A O no hydrogen 3.036 N/A ASP 334.A N ILE 196.A O no hydrogen 2.928 N/A PHE 335.A N ILE 196.A O no hydrogen 3.192 N/A GLU 337.A N ALA 198.A O no hydrogen 2.693 N/A ILE 338.A N SER 361.A O no hydrogen 3.188 N/A ILE 339.A N VAL 200.A O no hydrogen 2.934 N/A GLY 340.A N GLN 366.A O no hydrogen 3.151 N/A THR 342.A N ILE 202.A O no hydrogen 2.915 N/A THR 342.A OG1 GLY 203.A O no hydrogen 2.832 N/A THR 343.A OG1 ILE 339.A O no hydrogen 3.131 N/A THR 343.A OG1 GLY 340.A O no hydrogen 2.708 N/A ARG 344.A N GLY 341.A O no hydrogen 3.471 N/A ARG 344.A NH1 GLN 366.A OE1 no hydrogen 3.123 N/A ILE 345.A N THR 342.A O no hydrogen 3.127 N/A LEU 348.A N ILE 345.A O no hydrogen 3.052 N/A LYS 349.A N ILE 345.A O no hydrogen 3.148 N/A GLN 350.A N PRO 346.A O no hydrogen 2.929 N/A GLN 350.A NE2 GLN 350.A O no hydrogen 3.411 N/A SER 351.A N THR 347.A O no hydrogen 3.196 N/A SER 351.A OG THR 347.A O no hydrogen 3.171 N/A ILE 352.A N LEU 348.A O no hydrogen 3.194 N/A SER 353.A N LYS 349.A O no hydrogen 3.280 N/A SER 353.A OG LYS 358.A O no hydrogen 2.912 N/A GLU 354.A N GLN 350.A O no hydrogen 3.114 N/A ALA 355.A N SER 351.A O no hydrogen 2.830 N/A PHE 356.A N ILE 352.A O no hydrogen 3.168 N/A LYS 358.A N SER 353.A O no hydrogen 3.046 N/A LYS 358.A NZ GLU 331.A O no hydrogen 3.503 N/A LYS 358.A NZ VAL 333.A O no hydrogen 2.565 N/A SER 361.A N VAL 336.A O no hydrogen 2.629 N/A SER 361.A OG VAL 336.A O no hydrogen 3.439 N/A THR 363.A N GLU 337.A OE2 no hydrogen 2.867 N/A THR 363.A OG1 GLU 337.A OE1 no hydrogen 2.612 N/A THR 363.A OG1 GLU 337.A OE2 no hydrogen 3.465 N/A GLN 366.A NE2 ASP 367.A OD1 no hydrogen 3.116 N/A ASP 367.A N ASN 365.A OD1 no hydrogen 2.988 N/A GLU 368.A N ASN 365.A OD1 no hydrogen 2.865 N/A ALA 369.A N ASN 365.A O no hydrogen 3.365 N/A LYS 372.A N GLU 368.A O no hydrogen 3.087 N/A LYS 372.A NZ ILE 22.A O no hydrogen 3.248 N/A GLY 373.A N ALA 369.A O no hydrogen 3.118 N/A ALA 374.A N ILE 370.A O no hydrogen 3.040 N/A ALA 375.A N ALA 371.A O no hydrogen 3.043 N/A PHE 376.A N LYS 372.A O no hydrogen 3.019 N/A ILE 377.A N GLY 373.A O no hydrogen 3.016 N/A CYS 378.A N ALA 374.A O no hydrogen 2.826 N/A CYS 378.A SG PHE 3.A O no hydrogen 3.651 N/A ALA 379.A N ALA 375.A O no hydrogen 3.175 N/A ILE 380.A N PHE 376.A O no hydrogen 2.960 N/A SER 382.A N ALA 379.A O no hydrogen 2.969 N/A LYS 386.A N GLY 217.A O no hydrogen 3.054 N/A GLU 388.A N LEU 219.A O no hydrogen 3.202 N/A ASP 389.A N PHE 418.A O no hydrogen 3.046 N/A ILE 390.A N ASP 389.A OD1 no hydrogen 2.820 N/A HIS 391.A N SER 416.A O no hydrogen 2.786 N/A HIS 391.A ND1 PRO 413.A O no hydrogen 3.207 N/A HIS 391.A NE2 HIS 475.A NE2 no hydrogen 3.056 N/A VAL 395.A N PHE 412.A O no hydrogen 2.817 N/A SER 396.A N SER 437.A O no hydrogen 2.831 N/A SER 396.A OG THR 439.A OG1 no hydrogen 2.790 N/A TYR 397.A N MET 409.A O no hydrogen 3.065 N/A TYR 397.A OH THR 476.A O no hydrogen 3.120 N/A SER 398.A N ALA 435.A O no hydrogen 2.703 N/A SER 398.A OG ALA 435.A O no hydrogen 3.512 N/A TRP 399.A N ASP 407.A O no hydrogen 2.867 N/A TRP 399.A NE1 GLU 406.A O no hydrogen 2.915 N/A GLN 402.A NE2 ASP 431.A O no hydrogen 3.250 N/A HIS 408.A ND1 ASP 407.A OD2 no hydrogen 3.346 N/A MET 409.A N TYR 397.A O no hydrogen 3.173 N/A VAL 411.A N VAL 395.A O no hydrogen 3.085 N/A PHE 412.A N VAL 395.A O no hydrogen 3.120 N/A GLY 415.A N HIS 391.A O no hydrogen 2.882 N/A SER 416.A N PRO 413.A O no hydrogen 3.283 N/A SER 416.A OG SER 417.A O no hydrogen 3.461 N/A SER 417.A OG GLU 388.A OE2 no hydrogen 2.618 N/A PHE 418.A N ASP 389.A O no hydrogen 2.965 N/A SER 420.A N CYS 469.A O no hydrogen 2.847 N/A LYS 422.A N LEU 467.A O no hydrogen 3.134 N/A ILE 424.A N LEU 465.A O no hydrogen 3.226 N/A LEU 426.A N VAL 463.A O no hydrogen 2.860 N/A ASN 427.A N GLU 404.A OE2 no hydrogen 3.059 N/A ARG 428.A N VAL 461.A O no hydrogen 2.917 N/A ARG 428.A NE ASN 427.A O no hydrogen 2.667 N/A ARG 428.A NH1 ASP 400.A O no hydrogen 2.779 N/A ARG 428.A NH2 ASP 400.A O no hydrogen 3.218 N/A THR 429.A N GLN 402.A OE1 no hydrogen 3.013 N/A SER 433.A N ASP 400.A OD2 no hydrogen 3.432 N/A MET 434.A N TRP 455.A O no hydrogen 2.807 N/A ALA 435.A N SER 398.A O no hydrogen 3.180 N/A ALA 436.A N ALA 453.A O no hydrogen 2.964 N/A SER 437.A N SER 396.A O no hydrogen 2.877 N/A TYR 438.A N GLU 450.A O no hydrogen 2.890 N/A THR 439.A N SER 394.A O no hydrogen 3.070 N/A THR 439.A OG1 SER 394.A OG no hydrogen 3.258 N/A THR 439.A OG1 SER 396.A OG no hydrogen 2.790 N/A THR 442.A N ASP 440.A OD1 no hydrogen 3.212 N/A THR 442.A OG1 ASP 440.A OD1 no hydrogen 2.496 N/A THR 442.A OG1 GLN 443.A OE1 no hydrogen 3.000 N/A GLN 443.A N ASP 440.A O no hydrogen 3.115 N/A LEU 444.A N ILE 441.A O no hydrogen 3.166 N/A THR 448.A N PRO 445.A O no hydrogen 3.355 N/A THR 448.A OG1 PRO 445.A O no hydrogen 2.698 N/A ILE 452.A N ALA 436.A O no hydrogen 2.804 N/A ALA 453.A N ALA 436.A O no hydrogen 3.503 N/A ASN 454.A N HIS 498.A O no hydrogen 3.083 N/A TRP 455.A N MET 434.A O no hydrogen 2.797 N/A GLU 456.A N VAL 496.A O no hydrogen 3.034 N/A ILE 457.A N PHE 432.A O no hydrogen 2.967 N/A THR 458.A N THR 494.A O no hydrogen 2.812 N/A VAL 461.A N ARG 428.A O no hydrogen 2.883 N/A VAL 463.A N LEU 426.A O no hydrogen 2.663 N/A LYS 464.A N TYR 481.A O no hydrogen 2.965 N/A LEU 465.A N ILE 424.A O no hydrogen 2.931 N/A LYS 466.A N GLU 479.A O no hydrogen 3.141 N/A LYS 466.A NZ GLU 478.A OE1 no hydrogen 3.369 N/A ARG 468.A N THR 476.A O no hydrogen 3.193 N/A ARG 468.A NH1 THR 421.A OG1 no hydrogen 2.868 N/A CYS 469.A N SER 420.A O no hydrogen 2.879 N/A CYS 469.A SG HIS 475.A NE2 no hydrogen 3.715 N/A ASP 470.A N LEU 474.A O no hydrogen 2.842 N/A SER 472.A N ASP 470.A OD1 no hydrogen 2.911 N/A GLY 473.A N ASP 470.A O no hydrogen 2.644 N/A LEU 474.A N ASP 470.A OD1 no hydrogen 2.943 N/A HIS 475.A N GLU 149.A OE1 no hydrogen 2.941 N/A HIS 475.A ND1 GLU 149.A OE2 no hydrogen 2.832 N/A HIS 475.A NE2 HIS 391.A NE2 no hydrogen 3.056 N/A THR 476.A N ARG 468.A O no hydrogen 2.799 N/A GLU 478.A N LYS 466.A O no hydrogen 2.786 N/A TYR 481.A N LYS 464.A O no hydrogen 3.343 N/A THR 482.A N ASP 491.A O no hydrogen 2.831 N/A THR 482.A OG1 ASP 491.A O no hydrogen 3.356 N/A ILE 483.A N PRO 462.A O no hydrogen 2.938 N/A GLU 484.A N VAL 488.A O no hydrogen 3.132 N/A LYS 489.A NZ ASP 492.A OD2 no hydrogen 2.974 N/A LYS 490.A N THR 482.A O no hydrogen 3.046 N/A ASP 491.A N THR 482.A OG1 no hydrogen 2.800 N/A LEU 493.A N ALA 480.A O no hydrogen 3.010 N/A VAL 496.A N GLU 456.A O no hydrogen 2.942 N/A HIS 498.A N ASN 454.A O no hydrogen 2.913 N/A HIS 498.A NE2 GLU 456.A OE1 no hydrogen 2.680 N/A GLY 501.A N THR 499.A OG1 no hydrogen 3.112 N/A LEU 502.A N ASP 157.A OD2 no hydrogen 2.771 N/A LYS 506.A N ASP 503.A OD2 no hydrogen 3.281 N/A LEU 507.A N ASP 503.A O no hydrogen 2.987 N/A ASN 508.A N ALA 504.A O no hydrogen 2.811 N/A GLU 509.A N LYS 505.A O no hydrogen 3.180 N/A LEU 510.A N LYS 506.A O no hydrogen 3.105 N/A ILE 511.A N LEU 507.A O no hydrogen 2.946 N/A GLU 512.A N ASN 508.A O no hydrogen 2.997 N/A LYS 513.A N GLU 509.A O no hydrogen 3.182 N/A GLU 514.A N LEU 510.A O no hydrogen 3.188 N/A ASN 515.A N ILE 511.A O no hydrogen 3.018 N/A GLU 516.A N GLU 512.A O no hydrogen 3.179 N/A MET 517.A N LYS 513.A O no hydrogen 3.323 N/A LEU 518.A N GLU 514.A O no hydrogen 2.958 N/A ALA 519.A N ASN 515.A O no hydrogen 2.953 N/A GLN 520.A N GLU 516.A O no hydrogen 3.089 N/A ASP 521.A N MET 517.A O no hydrogen 3.038 N/A LYS 522.A N LEU 518.A O no hydrogen 2.928 N/A LEU 523.A N ALA 519.A O no hydrogen 2.902 N/A VAL 524.A N GLN 520.A O no hydrogen 2.957 N/A ALA 525.A N ASP 521.A O no hydrogen 3.103 N/A GLU 526.A N LYS 522.A O no hydrogen 3.026 N/A THR 527.A N LEU 523.A O no hydrogen 3.005 N/A THR 527.A OG1 LEU 523.A O no hydrogen 2.666 N/A GLU 528.A N VAL 524.A O no hydrogen 3.028 N/A ASP 529.A N ALA 525.A O no hydrogen 3.050 N/A ARG 530.A N GLU 526.A O no hydrogen 3.065 N/A LYS 531.A N THR 527.A O no hydrogen 3.005 N/A LYS 531.A NZ GLY 576.A O no hydrogen 3.467 N/A LYS 531.A NZ PHE 577.A O no hydrogen 3.276 N/A ASN 532.A N GLU 528.A O no hydrogen 2.877 N/A ASN 532.A ND2 GLU 536.A OE2 no hydrogen 3.015 N/A THR 533.A N ASP 529.A O no hydrogen 2.853 N/A THR 533.A OG1 ASP 529.A O no hydrogen 2.796 N/A LEU 534.A N ARG 530.A O no hydrogen 3.067 N/A GLU 535.A N LYS 531.A O no hydrogen 3.056 N/A GLU 536.A N ASN 532.A O no hydrogen 2.955 N/A TYR 537.A N THR 533.A O no hydrogen 2.934 N/A ILE 538.A N LEU 534.A O no hydrogen 2.901 N/A TYR 539.A N GLU 535.A O no hydrogen 3.188 N/A THR 540.A N GLU 536.A O no hydrogen 2.918 N/A LEU 541.A N TYR 537.A O no hydrogen 3.019 N/A ARG 542.A N ILE 538.A O no hydrogen 3.196 N/A ARG 542.A NH2 GLU 569.A OE2 no hydrogen 2.929 N/A GLY 543.A N TYR 539.A O no hydrogen 3.399 N/A LYS 544.A N THR 540.A O no hydrogen 2.922 N/A LEU 545.A N LEU 541.A O no hydrogen 3.155 N/A GLU 546.A N ARG 542.A O no hydrogen 3.283 N/A GLU 547.A N LYS 544.A O no hydrogen 3.080 N/A TYR 549.A N LYS 544.A O no hydrogen 2.888 N/A ALA 550.A N GLU 547.A O no hydrogen 3.083 N/A PHE 552.A N TYR 549.A O no hydrogen 3.026 N/A GLU 557.A N SER 554.A OG no hydrogen 3.184 N/A LYS 558.A N SER 554.A O no hydrogen 2.907 N/A LYS 558.A NZ ALA 550.A O no hydrogen 2.839 N/A THR 559.A N ASP 555.A O no hydrogen 3.118 N/A THR 559.A OG1 ASP 555.A O no hydrogen 2.971 N/A THR 559.A OG1 ALA 556.A O no hydrogen 3.361 N/A LYS 560.A N ALA 556.A O no hydrogen 3.329 N/A LEU 561.A N GLU 557.A O no hydrogen 3.008 N/A GLN 562.A N LYS 558.A O no hydrogen 2.723 N/A GLY 563.A N THR 559.A O no hydrogen 3.016 N/A MET 564.A N LYS 560.A O no hydrogen 3.073 N/A LEU 565.A N LEU 561.A O no hydrogen 2.860 N/A ASN 566.A N GLN 562.A O no hydrogen 3.019 N/A LYS 567.A N GLY 563.A O no hydrogen 2.946 N/A ALA 568.A N MET 564.A O no hydrogen 2.855 N/A GLU 569.A N LEU 565.A O no hydrogen 3.025 N/A GLU 570.A N ASN 566.A O no hydrogen 3.052 N/A TRP 571.A N LYS 567.A O no hydrogen 2.982 N/A LEU 572.A N ALA 568.A O no hydrogen 2.992 N/A TYR 573.A N GLU 569.A O no hydrogen 3.102 N/A TYR 573.A N GLU 570.A O no hydrogen 3.244 N/A ASP 574.A N GLU 570.A O no hydrogen 3.246 N/A ASP 574.A N TRP 571.A O no hydrogen 2.906 N/A GLY 576.A N TRP 571.A O no hydrogen 2.692 N/A PHE 577.A N ASP 574.A O no hydrogen 3.242 N/A SER 579.A N TYR 584.A OH no hydrogen 2.925 N/A LYS 581.A NZ GLU 526.A OE1 no hydrogen 2.818 N/A LYS 583.A N ILE 580.A O no hydrogen 3.196 N/A TYR 584.A OH GLY 576.A O no hydrogen 2.774 N/A ILE 585.A N LYS 581.A O no hydrogen 3.136 N/A ALA 586.A N ALA 582.A O no hydrogen 2.906 N/A LYS 587.A N LYS 583.A O no hydrogen 2.978 N/A TYR 588.A N TYR 584.A O no hydrogen 3.168 N/A GLU 589.A N ILE 585.A O no hydrogen 2.959 N/A GLU 590.A N ALA 586.A O no hydrogen 3.135 N/A LEU 591.A N LYS 587.A O no hydrogen 3.343 N/A ALA 592.A N TYR 588.A O no hydrogen 2.815 N/A SER 593.A N GLU 589.A O no hydrogen 2.848 N/A SER 593.A OG GLU 590.A O no hydrogen 3.139 N/A GLY 595.A N LEU 591.A O no hydrogen 2.846 N/A ASN 596.A N ALA 592.A O no hydrogen 2.700 N/A ILE 598.A N LEU 594.A O no hydrogen 3.402 N/A ARG 599.A N GLY 595.A O no hydrogen 3.097 N/A ARG 599.A NE TYR 549.A OH no hydrogen 2.598 N/A ARG 599.A NH2 TYR 549.A OH no hydrogen 2.807 N/A GLY 600.A N ASN 596.A O no hydrogen 2.806 N/A ARG 601.A N ILE 597.A O no hydrogen 3.293 N/A ARG 601.A N ILE 598.A O no hydrogen 3.169 N/A ARG 601.A NH1 PHE 552.A O no hydrogen 3.149 N/A ARG 601.A NH1 GLU 557.A OE1 no hydrogen 2.813 N/A ARG 601.A NH2 GLU 557.A OE2 no hydrogen 3.485 N/A TYR 602.A N ILE 598.A O no hydrogen 2.916 N/A LEU 603.A N ARG 599.A O no hydrogen 2.842 N/A ALA 604.A N ARG 601.A O no hydrogen 3.268 N/A LYS 605.A N ARG 601.A O no hydrogen 3.364 N/A LYS 605.A NZ GLU 608.A OE2 no hydrogen 3.431 N/A GLU 606.A N TYR 602.A O no hydrogen 2.993 N/A GLU 607.A N LEU 603.A O no hydrogen 3.241 N/A GLU 608.A N ALA 604.A O no hydrogen 3.323 N/A LYS 609.A N LYS 605.A O no hydrogen 2.957 N/A LYS 609.A NZ GLU 606.A OE2 no hydrogen 3.501 N/A LYS 610.A N GLU 606.A O no hydrogen 3.367 N/A LYS 610.A NZ GLU 606.A O no hydrogen 3.417 N/A LYS 610.A NZ GLU 607.A OE2 no hydrogen 3.326 N/A GLN 611.A N GLU 607.A O no hydrogen 3.016 N/A ALA 612.A N GLU 608.A O no hydrogen 3.036 N/A ILE 613.A N LYS 609.A O no hydrogen 3.033 N/A ARG 614.A N LYS 610.A O no hydrogen 3.172 N/A ARG 614.A NH1 ARG 614.A O no hydrogen 3.158 N/A SER 615.A N GLN 611.A O no hydrogen 2.974 N/A SER 615.A OG GLN 611.A O no hydrogen 3.363 N/A SER 615.A OG ALA 612.A O no hydrogen 3.117 N/A LYS 616.A N ILE 613.A O no hydrogen 3.125 N/A