Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gsk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 9.A ND2 GLU 12.A OE2 no hydrogen 2.717 N/A PHE 11.A N ASN 9.A OD1 no hydrogen 3.104 N/A GLU 12.A N ASN 9.A O no hydrogen 3.230 N/A ARG 15.A NH1 GLU 104.A OE1 no hydrogen 3.521 N/A ALA 20.A N THR 17.A O no hydrogen 2.758 N/A THR 23.A N TYR 105.A O no hydrogen 2.903 N/A VAL 25.A N VAL 103.A O no hydrogen 2.862 N/A THR 26.A N ASP 29.A OD2 no hydrogen 3.204 N/A THR 26.A OG1 ASP 29.A OD2 no hydrogen 3.260 N/A ARG 27.A NH1 ILE 97.A O no hydrogen 3.014 N/A ARG 27.A NH1 VAL 100.A O no hydrogen 2.467 N/A ASP 29.A N THR 26.A OG1 no hydrogen 3.263 N/A ILE 30.A N THR 26.A O no hydrogen 3.143 N/A ASP 31.A N ARG 27.A O no hydrogen 2.952 N/A ARG 32.A N GLN 28.A O no hydrogen 3.177 N/A ARG 32.A NH2 TRP 512.A O no hydrogen 2.706 N/A TRP 33.A N ASP 29.A O no hydrogen 2.903 N/A GLN 34.A N ASP 31.A O no hydrogen 3.273 N/A GLN 34.A NE2 VAL 547.A O no hydrogen 3.275 N/A GLN 34.A NE2 GLY 559.A O no hydrogen 3.055 N/A SER 35.A OG ASP 40.A OD2 no hydrogen 2.884 N/A ASP 40.A N SER 37.A OG no hydrogen 3.060 N/A LEU 42.A N VAL 38.A O no hydrogen 2.971 N/A ARG 43.A N ASN 39.A O no hydrogen 2.903 N/A ARG 43.A NE ASP 40.A OD1 no hydrogen 3.052 N/A ARG 43.A NH1 GLN 517.A OE1 no hydrogen 3.043 N/A ARG 43.A NH2 ASP 40.A OD1 no hydrogen 2.886 N/A ARG 43.A NH2 ASP 544.A OD2 no hydrogen 2.683 N/A ARG 44.A N VAL 41.A O no hydrogen 3.245 N/A ARG 44.A NE ASP 40.A O no hydrogen 2.996 N/A ARG 44.A NH1 THR 515.A OG1 no hydrogen 2.996 N/A ARG 44.A NH2 ASP 40.A OD1 no hydrogen 3.390 N/A ARG 44.A NH2 ASP 40.A OD2 no hydrogen 2.780 N/A LEU 45.A N LEU 42.A O no hydrogen 3.057 N/A GLY 47.A N ASP 478.A OD2 no hydrogen 2.843 N/A VAL 48.A N LEU 45.A O no hydrogen 3.329 N/A ASP 49.A N PHE 63.A O no hydrogen 3.004 N/A THR 51.A N SER 61.A O no hydrogen 2.866 N/A GLN 52.A N THR 571.A OG1 no hydrogen 2.938 N/A GLN 52.A NE2 GLN 58.A O no hydrogen 2.987 N/A ASN 53.A N LEU 59.A O no hydrogen 2.766 N/A ASN 53.A ND2 LEU 59.A O no hydrogen 3.697 N/A GLY 55.A N GLN 58.A OE1 no hydrogen 2.870 N/A GLN 58.A N GLY 55.A O no hydrogen 3.024 N/A GLN 58.A NE2 ASP 191.A O no hydrogen 3.183 N/A GLN 58.A NE2 ASN 224.A O no hydrogen 2.693 N/A SER 60.A N ASP 91.A OD1 no hydrogen 3.111 N/A SER 60.A OG ASN 39.A OD1 no hydrogen 2.905 N/A SER 61.A N THR 51.A O no hydrogen 2.825 N/A PHE 63.A N ASP 49.A O no hydrogen 2.971 N/A ARG 65.A N GLY 47.A O no hydrogen 3.010 N/A ARG 65.A NH1 GLU 415.A OE1 no hydrogen 2.807 N/A ARG 65.A NH2 GLU 415.A OE2 no hydrogen 3.119 N/A ARG 65.A NH2 GLU 461.A OE1 no hydrogen 2.858 N/A THR 67.A N ILE 64.A O no hydrogen 2.979 N/A THR 67.A OG1 ILE 64.A O no hydrogen 2.570 N/A ASN 68.A N HIS 71.A ND1 no hydrogen 3.221 N/A HIS 71.A N ASN 68.A O no hydrogen 2.778 N/A HIS 71.A NE2 GLU 409.A OE1 no hydrogen 2.851 N/A HIS 71.A NE2 GLU 409.A OE2 no hydrogen 3.204 N/A LEU 73.A N GLY 121.A O no hydrogen 2.973 N/A LEU 75.A N VAL 123.A O no hydrogen 2.779 N/A ILE 76.A N VAL 79.A O no hydrogen 2.740 N/A ASP 77.A N ILE 125.A O no hydrogen 2.852 N/A GLY 78.A N ASN 124.A OD1 no hydrogen 3.058 N/A VAL 79.A N ILE 76.A O no hydrogen 3.164 N/A ARG 80.A NH1 ASP 117.A OD2 no hydrogen 2.977 N/A ARG 80.A NH2 ASP 117.A OD1 no hydrogen 2.839 N/A ARG 80.A NH2 ASP 117.A OD2 no hydrogen 3.479 N/A LEU 81.A N VAL 74.A O no hydrogen 3.086 N/A ASN 82.A ND2 SER 266.A O no hydrogen 3.309 N/A ASN 82.A ND2 SER 268.A OG no hydrogen 3.005 N/A SER 87.A OG SER 89.A OG no hydrogen 3.172 N/A GLY 88.A N GLY 85.A O no hydrogen 3.374 N/A SER 89.A N SER 87.A OG no hydrogen 3.004 N/A SER 89.A OG SER 87.A OG no hydrogen 3.172 N/A SER 93.A N ASP 91.A OD1 no hydrogen 3.160 N/A SER 93.A OG GLY 57.A O no hydrogen 3.404 N/A SER 93.A OG GLN 58.A O no hydrogen 3.231 N/A SER 93.A OG ASP 91.A OD1 no hydrogen 2.486 N/A SER 93.A OG ASP 91.A OD2 no hydrogen 2.976 N/A GLN 94.A N ASP 91.A O no hydrogen 3.397 N/A GLN 94.A NE2 SER 93.A OG no hydrogen 3.389 N/A GLN 94.A NE2 THR 223.A OG1 no hydrogen 3.428 N/A PHE 95.A N LEU 92.A O no hydrogen 3.406 N/A LEU 99.A N PRO 96.A O no hydrogen 2.956 N/A VAL 100.A N ILE 97.A O no hydrogen 3.023 N/A GLN 101.A N ILE 126.A O no hydrogen 2.962 N/A ARG 102.A N ILE 126.A O no hydrogen 3.347 N/A ARG 102.A NE GLU 104.A OE2 no hydrogen 3.031 N/A ARG 102.A NH2 GLU 104.A OE2 no hydrogen 2.915 N/A VAL 103.A N VAL 25.A O no hydrogen 2.751 N/A GLU 104.A N ASN 124.A O no hydrogen 2.748 N/A TYR 105.A N THR 23.A O no hydrogen 2.905 N/A TYR 105.A OH PRO 46.A O no hydrogen 2.798 N/A ILE 106.A N VAL 122.A O no hydrogen 2.943 N/A ARG 107.A N PRO 21.A O no hydrogen 3.277 N/A ARG 107.A NE GLU 461.A OE1 no hydrogen 2.817 N/A ARG 107.A NH1 THR 23.A OG1 no hydrogen 2.955 N/A ARG 107.A NH2 GLU 461.A OE2 no hydrogen 2.773 N/A GLY 108.A N GLY 120.A O no hydrogen 3.273 N/A ARG 110.A NH1 SER 370.A OG no hydrogen 3.328 N/A ARG 110.A NH2 SER 16.A O no hydrogen 3.356 N/A SER 111.A N GLY 108.A O no hydrogen 3.152 N/A SER 111.A OG GLY 108.A O no hydrogen 2.789 N/A VAL 113.A N ARG 110.A O no hydrogen 3.301 N/A TYR 114.A N SER 111.A O no hydrogen 3.221 N/A GLY 115.A N ALA 112.A O no hydrogen 2.992 N/A SER 116.A OG TYR 389.A O no hydrogen 3.309 N/A ASP 117.A N ASP 117.A OD1 no hydrogen 2.629 N/A ALA 118.A N GLY 115.A O no hydrogen 3.113 N/A GLY 120.A N HIS 71.A O no hydrogen 2.934 N/A VAL 122.A N ILE 106.A O no hydrogen 2.847 N/A VAL 123.A N LEU 73.A O no hydrogen 2.826 N/A ASN 124.A N GLU 104.A O no hydrogen 2.783 N/A ILE 125.A N LEU 75.A O no hydrogen 2.792 N/A ILE 126.A N ARG 102.A O no hydrogen 2.927 N/A THR 127.A N ASP 77.A OD1 no hydrogen 2.908 N/A THR 127.A OG1 ASP 77.A OD1 no hydrogen 3.310 N/A THR 127.A OG1 ASP 77.A OD2 no hydrogen 2.506 N/A GLU 131.A N GLN 153.A OE1 no hydrogen 2.915 N/A GLY 133.A N GLN 153.A O no hydrogen 3.052 N/A THR 134.A OG1 THR 152.A OG1 no hydrogen 2.946 N/A GLU 135.A N SER 151.A O no hydrogen 2.824 N/A ILE 136.A N TYR 588.A O no hydrogen 2.700 N/A SER 137.A N ASP 149.A O no hydrogen 2.884 N/A ALA 138.A N GLY 586.A O no hydrogen 3.101 N/A GLY 139.A N ASN 147.A O no hydrogen 2.969 N/A TRP 140.A N LEU 584.A O no hydrogen 2.770 N/A TRP 140.A NE1 TYR 148.A OH no hydrogen 3.280 N/A GLY 141.A N TYR 145.A O no hydrogen 3.264 N/A SER 142.A N TYR 582.A O no hydrogen 2.770 N/A SER 144.A OG HIS 172.A ND1 no hydrogen 3.064 N/A TYR 145.A N SER 142.A O no hydrogen 3.294 N/A GLN 146.A N HIS 170.A O no hydrogen 2.749 N/A ASN 147.A N GLY 139.A O no hydrogen 3.094 N/A ASN 147.A ND2 ASP 167.A OD2 no hydrogen 2.726 N/A ASN 147.A ND2 TYR 168.A O no hydrogen 3.280 N/A TYR 148.A N TYR 168.A O no hydrogen 2.842 N/A ASP 149.A N SER 137.A O no hydrogen 2.891 N/A VAL 150.A N GLY 166.A O no hydrogen 2.972 N/A SER 151.A N GLU 135.A O no hydrogen 2.931 N/A THR 152.A N LEU 164.A O no hydrogen 2.949 N/A THR 152.A OG1 GLY 133.A O no hydrogen 3.469 N/A THR 152.A OG1 THR 134.A OG1 no hydrogen 2.946 N/A GLN 153.A N GLY 133.A O no hydrogen 2.803 N/A GLN 153.A NE2 ARG 129.A O no hydrogen 2.923 N/A GLN 153.A NE2 THR 163.A OG1 no hydrogen 3.079 N/A GLN 154.A N VAL 162.A O no hydrogen 2.776 N/A GLN 154.A NE2 THR 152.A OG1 no hydrogen 2.935 N/A GLN 155.A NE2 GLY 157.A O no hydrogen 2.966 N/A LEU 156.A N THR 160.A O no hydrogen 2.712 N/A GLY 157.A N THR 160.A O no hydrogen 3.202 N/A THR 160.A N GLY 157.A O no hydrogen 3.256 N/A THR 160.A OG1 HIS 204.A ND1 no hydrogen 3.026 N/A ARG 161.A N GLU 203.A O no hydrogen 2.729 N/A VAL 162.A N GLN 154.A O no hydrogen 2.828 N/A THR 163.A N ALA 201.A O no hydrogen 2.989 N/A LEU 164.A N THR 152.A O no hydrogen 2.946 N/A LEU 165.A N TYR 199.A O no hydrogen 2.910 N/A GLY 166.A N VAL 150.A O no hydrogen 2.853 N/A ASP 167.A N THR 197.A O no hydrogen 2.969 N/A TYR 168.A N TYR 148.A O no hydrogen 2.766 N/A ALA 169.A N SER 195.A O no hydrogen 2.926 N/A HIS 170.A N GLN 146.A O no hydrogen 2.834 N/A THR 171.A N PHE 193.A O no hydrogen 2.859 N/A THR 171.A OG1 ASN 143.A O no hydrogen 2.827 N/A HIS 172.A N ASN 143.A O no hydrogen 2.942 N/A GLY 173.A N THR 171.A OG1 no hydrogen 3.030 N/A TYR 174.A OH GLN 576.A O no hydrogen 2.713 N/A VAL 176.A N ASP 191.A OD2 no hydrogen 3.014 N/A VAL 177.A N ASP 175.A OD1 no hydrogen 3.167 N/A ALA 178.A N VAL 176.A O no hydrogen 2.835 N/A TYR 179.A N GLY 574.A O no hydrogen 2.895 N/A ASN 181.A N ALA 178.A O no hydrogen 3.077 N/A ASN 181.A ND2 ALA 178.A O no hydrogen 3.594 N/A ASN 181.A ND2 TYR 179.A O no hydrogen 2.967 N/A THR 184.A N TYR 229.A O no hydrogen 2.951 N/A THR 184.A OG1 TYR 229.A O no hydrogen 2.936 N/A GLN 185.A N THR 182.A O no hydrogen 3.419 N/A GLN 187.A NE2 GLN 185.A O no hydrogen 2.921 N/A GLN 187.A NE2 ALA 227.A O no hydrogen 2.610 N/A ASP 191.A N TYR 174.A O no hydrogen 2.944 N/A PHE 193.A N THR 171.A O no hydrogen 2.966 N/A LEU 194.A N ARG 222.A O no hydrogen 2.794 N/A SER 195.A N ALA 169.A O no hydrogen 2.896 N/A SER 195.A OG ASN 221.A OD1 no hydrogen 2.786 N/A LYS 196.A N ASP 220.A O no hydrogen 3.048 N/A LYS 196.A NZ ASP 220.A OD2 no hydrogen 2.712 N/A THR 197.A N ASP 167.A O no hydrogen 2.819 N/A LEU 198.A N GLY 218.A O no hydrogen 2.919 N/A TYR 199.A N LEU 165.A O no hydrogen 2.833 N/A GLY 200.A N GLY 216.A O no hydrogen 2.933 N/A ALA 201.A N THR 163.A O no hydrogen 2.731 N/A LEU 202.A N VAL 214.A O no hydrogen 2.931 N/A GLU 203.A N ARG 161.A O no hydrogen 2.838 N/A HIS 204.A N GLY 212.A O no hydrogen 2.772 N/A HIS 204.A ND1 THR 160.A OG1 no hydrogen 3.026 N/A ASN 205.A N LYS 159.A O no hydrogen 2.826 N/A PHE 206.A N TRP 210.A O no hydrogen 2.751 N/A THR 207.A N TRP 210.A O no hydrogen 3.133 N/A TRP 210.A N THR 207.A OG1 no hydrogen 3.220 N/A SER 211.A N ARG 251.A O no hydrogen 2.959 N/A GLY 212.A N HIS 204.A O no hydrogen 2.785 N/A PHE 213.A N GLY 249.A O no hydrogen 2.966 N/A VAL 214.A N LEU 202.A O no hydrogen 2.931 N/A ARG 215.A N ASP 247.A O no hydrogen 2.859 N/A GLY 216.A N GLY 200.A O no hydrogen 2.975 N/A TYR 217.A N SER 245.A O no hydrogen 2.802 N/A GLY 218.A N LEU 198.A O no hydrogen 3.056 N/A TYR 219.A N SER 243.A O no hydrogen 2.944 N/A ASP 220.A N LYS 196.A O no hydrogen 3.060 N/A ASN 221.A N LEU 241.A O no hydrogen 2.808 N/A ASN 221.A ND2 GLN 94.A O no hydrogen 2.649 N/A ASN 221.A ND2 GLN 94.A OE1 no hydrogen 3.001 N/A ARG 222.A N LEU 194.A O no hydrogen 2.772 N/A THR 223.A N ARG 239.A O no hydrogen 2.889 N/A ASN 224.A N GLY 192.A O no hydrogen 2.944 N/A TYR 225.A N ASP 237.A O no hydrogen 2.961 N/A TYR 225.A OH ASN 272.A OD1 no hydrogen 2.476 N/A ALA 227.A N GLN 187.A OE1 no hydrogen 2.902 N/A TYR 229.A N THR 182.A O no hydrogen 3.035 N/A SER 233.A N SER 230.A O no hydrogen 3.127 N/A LEU 235.A N ASP 274.A OD2 no hydrogen 2.660 N/A ASP 237.A N TYR 273.A O no hydrogen 3.155 N/A THR 238.A N TYR 273.A O no hydrogen 3.325 N/A ARG 239.A N THR 223.A O no hydrogen 2.830 N/A ARG 239.A NE ASP 270.A OD1 no hydrogen 2.958 N/A ARG 239.A NH1 ASP 91.A OD2 no hydrogen 2.831 N/A ARG 239.A NH2 ASP 270.A OD2 no hydrogen 2.864 N/A LYS 240.A N TYR 271.A O no hydrogen 2.825 N/A LYS 240.A NZ ASP 220.A OD1 no hydrogen 2.263 N/A LEU 241.A N ASN 221.A O no hydrogen 2.851 N/A TYR 242.A N LYS 269.A O no hydrogen 2.839 N/A SER 243.A N TYR 219.A O no hydrogen 2.925 N/A GLN 244.A N HIS 267.A O no hydrogen 2.920 N/A SER 245.A N TYR 217.A O no hydrogen 2.742 N/A SER 245.A OG SER 266.A OG no hydrogen 3.212 N/A TRP 246.A N TYR 265.A O no hydrogen 2.751 N/A TRP 246.A NE1 GLN 244.A OE1 no hydrogen 3.100 N/A ASP 247.A N ARG 215.A O no hydrogen 2.871 N/A ALA 248.A N THR 263.A O no hydrogen 2.940 N/A GLY 249.A N PHE 213.A O no hydrogen 2.966 N/A LEU 250.A N LEU 261.A O no hydrogen 2.970 N/A ARG 251.A N SER 211.A O no hydrogen 3.013 N/A TYR 252.A N SER 259.A O no hydrogen 2.815 N/A ASN 253.A N ALA 209.A O no hydrogen 2.715 N/A ASN 253.A ND2 ARG 10.A O no hydrogen 3.028 N/A GLY 254.A N ILE 257.A O no hydrogen 2.778 N/A LYS 258.A N ASN 299.A O no hydrogen 2.890 N/A LYS 258.A NZ GLY 254.A O no hydrogen 2.758 N/A SER 259.A N TYR 252.A O no hydrogen 2.860 N/A SER 259.A OG ALA 297.A O no hydrogen 3.449 N/A SER 259.A OG ASN 298.A OD1 no hydrogen 2.297 N/A GLN 260.A N ALA 297.A O no hydrogen 2.946 N/A LEU 261.A N LEU 250.A O no hydrogen 2.837 N/A ILE 262.A N GLN 295.A O no hydrogen 2.866 N/A THR 263.A N ALA 248.A O no hydrogen 2.883 N/A SER 264.A N THR 293.A O no hydrogen 2.824 N/A TYR 265.A N TRP 246.A O no hydrogen 2.708 N/A SER 266.A N GLN 291.A O no hydrogen 2.984 N/A SER 266.A OG GLN 244.A O no hydrogen 3.475 N/A SER 266.A OG SER 245.A OG no hydrogen 3.212 N/A HIS 267.A N GLN 244.A O no hydrogen 2.912 N/A HIS 267.A NE2 GLU 288.A OE2 no hydrogen 2.526 N/A SER 268.A N MET 289.A O no hydrogen 2.941 N/A LYS 269.A N TYR 242.A O no hydrogen 2.847 N/A ASP 270.A N ASP 287.A O no hydrogen 2.730 N/A TYR 271.A N LYS 240.A O no hydrogen 2.852 N/A ASN 272.A N THR 285.A O no hydrogen 3.096 N/A TYR 273.A N THR 238.A O no hydrogen 2.977 N/A HIS 276.A N ASP 274.A OD1 no hydrogen 2.789 N/A HIS 276.A ND1 ASP 274.A OD1 no hydrogen 2.815 N/A TYR 277.A N ASP 274.A O no hydrogen 3.004 N/A GLY 278.A N ASP 274.A O no hydrogen 2.816 N/A ARG 279.A NH2 TYR 280.A OH no hydrogen 2.680 N/A ASP 281.A N GLY 278.A O no hydrogen 3.422 N/A SER 283.A N ASP 281.A OD2 no hydrogen 2.775 N/A SER 283.A OG ASP 281.A OD2 no hydrogen 2.766 N/A ALA 284.A N ASP 281.A O no hydrogen 3.112 N/A THR 285.A N ASN 272.A O no hydrogen 2.941 N/A ASP 287.A N ASP 270.A O no hydrogen 2.741 N/A GLU 288.A N THR 322.A OG1 no hydrogen 3.087 N/A MET 289.A N SER 268.A O no hydrogen 3.081 N/A LYS 290.A N THR 317.A O no hydrogen 2.926 N/A GLN 291.A N SER 266.A O no hydrogen 2.847 N/A GLN 291.A NE2 ARG 80.A O no hydrogen 2.917 N/A TYR 292.A N LYS 315.A O no hydrogen 2.985 N/A THR 293.A N SER 264.A O no hydrogen 2.948 N/A VAL 294.A N TRP 313.A O no hydrogen 2.835 N/A GLN 295.A N ILE 262.A O no hydrogen 2.909 N/A GLN 295.A NE2 GLY 78.A O no hydrogen 3.151 N/A TRP 296.A N VAL 311.A O no hydrogen 2.837 N/A TRP 296.A NE1 SER 259.A OG no hydrogen 3.209 N/A ALA 297.A N GLN 260.A O no hydrogen 2.961 N/A ASN 298.A N ALA 309.A O no hydrogen 2.920 N/A ASN 299.A N LYS 258.A O no hydrogen 2.790 N/A ASN 299.A ND2 SER 306.A OG no hydrogen 3.139 N/A VAL 300.A N ILE 307.A O no hydrogen 2.959 N/A ILE 301.A N LEU 256.A O no hydrogen 2.739 N/A VAL 302.A N GLY 305.A O no hydrogen 2.997 N/A SER 306.A N LEU 341.A O no hydrogen 3.061 N/A ILE 307.A N VAL 300.A O no hydrogen 3.041 N/A GLY 308.A N THR 339.A O no hydrogen 2.802 N/A ALA 309.A N ASN 298.A O no hydrogen 2.875 N/A GLY 310.A N TYR 337.A O no hydrogen 3.156 N/A VAL 311.A N TRP 296.A O no hydrogen 2.895 N/A ASP 312.A N GLY 335.A O no hydrogen 2.946 N/A TRP 313.A N VAL 294.A O no hydrogen 2.832 N/A GLN 314.A N ASN 333.A O no hydrogen 2.816 N/A LYS 315.A N TYR 292.A O no hydrogen 2.914 N/A GLN 316.A N GLN 331.A O no hydrogen 2.639 N/A GLN 316.A NE2 GLN 291.A OE1 no hydrogen 3.045 N/A THR 317.A N LYS 290.A O no hydrogen 3.003 N/A THR 318.A N TYR 329.A O no hydrogen 2.989 N/A THR 319.A N GLU 288.A O no hydrogen 3.247 N/A THR 319.A OG1 THR 322.A OG1 no hydrogen 3.308 N/A GLY 321.A N VAL 325.A O no hydrogen 2.821 N/A THR 322.A N THR 319.A O no hydrogen 3.038 N/A THR 322.A OG1 GLU 288.A O no hydrogen 3.289 N/A THR 322.A OG1 THR 319.A O no hydrogen 2.820 N/A THR 322.A OG1 THR 319.A OG1 no hydrogen 3.308 N/A GLY 323.A N ASP 287.A OD1 no hydrogen 3.166 N/A VAL 325.A N THR 322.A O no hydrogen 3.013 N/A GLY 328.A N VAL 325.A O no hydrogen 3.080 N/A TYR 329.A N THR 318.A O no hydrogen 3.385 N/A TYR 329.A N THR 318.A OG1 no hydrogen 3.014 N/A GLN 331.A N GLN 316.A O no hydrogen 2.725 N/A GLN 331.A NE2 ASN 358.A OD1 no hydrogen 3.031 N/A ARG 332.A N SER 359.A OG no hydrogen 3.020 N/A ASN 333.A N GLN 314.A O no hydrogen 2.765 N/A ASN 333.A ND2 ASP 356.A OD1 no hydrogen 3.115 N/A THR 334.A N ASP 357.A O no hydrogen 3.018 N/A GLY 335.A N ASP 312.A O no hydrogen 2.908 N/A ILE 336.A N SER 355.A O no hydrogen 2.885 N/A TYR 337.A N GLY 310.A O no hydrogen 2.902 N/A LEU 338.A N ALA 353.A O no hydrogen 2.968 N/A THR 339.A N GLY 308.A O no hydrogen 2.819 N/A GLY 340.A N GLY 351.A O no hydrogen 2.880 N/A LEU 341.A N SER 306.A O no hydrogen 2.898 N/A GLN 342.A N PHE 349.A O no hydrogen 2.843 N/A GLN 342.A NE2 VAL 302.A O no hydrogen 3.451 N/A GLN 343.A N HIS 304.A O no hydrogen 2.987 N/A GLN 343.A NE2 GLY 345.A O no hydrogen 3.184 N/A VAL 344.A N PHE 347.A O no hydrogen 2.608 N/A PHE 347.A N VAL 344.A O no hydrogen 2.960 N/A THR 348.A N GLY 372.A O no hydrogen 2.947 N/A THR 348.A OG1 GLN 343.A OE1 no hydrogen 3.321 N/A PHE 349.A N GLN 342.A O no hydrogen 2.806 N/A GLU 350.A N SER 370.A O no hydrogen 2.896 N/A GLY 351.A N GLY 340.A O no hydrogen 3.038 N/A ALA 352.A N GLN 368.A O no hydrogen 2.894 N/A ALA 353.A N LEU 338.A O no hydrogen 3.020 N/A ARG 354.A N THR 366.A O no hydrogen 2.820 N/A ARG 354.A NH1 ASP 356.A OD1 no hydrogen 2.857 N/A ARG 354.A NH2 ASP 312.A OD2 no hydrogen 3.182 N/A SER 355.A N ILE 336.A O no hydrogen 2.789 N/A ASP 356.A N HIS 364.A O no hydrogen 2.962 N/A ASP 357.A N THR 334.A O no hydrogen 2.700 N/A ASN 358.A N GLY 362.A O no hydrogen 2.894 N/A ASN 358.A ND2 ASN 333.A OD1 no hydrogen 3.250 N/A SER 359.A N ARG 332.A O no hydrogen 2.971 N/A SER 359.A OG ARG 332.A O no hydrogen 3.376 N/A GLN 360.A N ASN 358.A OD1 no hydrogen 3.171 N/A PHE 361.A N ASN 358.A OD1 no hydrogen 3.300 N/A GLY 362.A N ASN 358.A O no hydrogen 2.876 N/A HIS 364.A N ASP 356.A O no hydrogen 2.909 N/A HIS 364.A NE2 PHE 361.A O no hydrogen 3.063 N/A THR 366.A N ARG 354.A O no hydrogen 2.998 N/A TRP 367.A N THR 387.A OG1 no hydrogen 3.174 N/A GLN 368.A N ALA 352.A O no hydrogen 2.873 N/A GLN 368.A NE2 THR 387.A O no hydrogen 3.278 N/A THR 369.A N TYR 385.A O no hydrogen 2.909 N/A SER 370.A N GLU 350.A O no hydrogen 2.848 N/A ALA 371.A N ALA 383.A O no hydrogen 2.954 N/A GLY 372.A N THR 348.A O no hydrogen 2.733 N/A TRP 373.A N PHE 381.A O no hydrogen 2.652 N/A GLU 374.A N ASP 346.A O no hydrogen 2.935 N/A PHE 375.A N TYR 379.A O no hydrogen 3.188 N/A GLY 378.A N GLU 374.A OE2 no hydrogen 2.529 N/A TYR 379.A N ILE 376.A O no hydrogen 2.764 N/A TYR 379.A OH THR 422.A OG1 no hydrogen 2.408 N/A ARG 380.A N GLU 419.A O no hydrogen 3.009 N/A ARG 380.A NH1 GLU 419.A OE2 no hydrogen 2.805 N/A PHE 381.A N TRP 373.A O no hydrogen 2.926 N/A ILE 382.A N ALA 417.A O no hydrogen 2.922 N/A ALA 383.A N ALA 371.A O no hydrogen 2.897 N/A SER 384.A N GLU 415.A O no hydrogen 2.907 N/A TYR 385.A N THR 369.A O no hydrogen 2.933 N/A GLY 386.A N GLN 413.A O no hydrogen 3.020 N/A THR 387.A N TRP 367.A O no hydrogen 2.824 N/A THR 387.A OG1 TRP 367.A O no hydrogen 3.512 N/A SER 388.A N SER 411.A O no hydrogen 3.056 N/A TYR 389.A N SER 116.A O no hydrogen 2.713 N/A LYS 390.A N GLU 409.A O no hydrogen 2.772 N/A LYS 390.A NZ SER 70.A O no hydrogen 3.089 N/A ASN 393.A ND2 VAL 86.A O no hydrogen 2.534 N/A GLN 396.A N ASN 393.A O no hydrogen 3.037 N/A GLN 396.A NE2 VAL 86.A O no hydrogen 3.274 N/A TYR 398.A N LEU 394.A O no hydrogen 2.766 N/A GLY 399.A N GLY 395.A O no hydrogen 3.108 N/A PHE 400.A N TYR 324.A O no hydrogen 2.750 N/A GLY 402.A N GLY 399.A O no hydrogen 2.981 N/A ASN 403.A N GLN 396.A O no hydrogen 2.868 N/A ASN 403.A ND2 TYR 449.A O no hydrogen 2.952 N/A ASN 405.A N ASN 403.A OD1 no hydrogen 3.241 N/A LEU 406.A N ASN 403.A O no hydrogen 2.968 N/A ASP 407.A N ASN 451.A OD1 no hydrogen 2.859 N/A GLU 409.A N LYS 390.A O no hydrogen 2.754 N/A LYS 410.A N SER 437.A O no hydrogen 3.279 N/A SER 411.A N SER 388.A O no hydrogen 2.986 N/A SER 411.A OG GLN 413.A OE1 no hydrogen 3.225 N/A SER 411.A OG ASN 434.A OD1 no hydrogen 2.769 N/A LYS 412.A N ASP 435.A O no hydrogen 2.995 N/A GLN 413.A NE2 ILE 119.A O no hydrogen 3.498 N/A TRP 414.A N ARG 433.A O no hydrogen 2.934 N/A GLU 415.A N SER 384.A O no hydrogen 2.889 N/A GLY 416.A N GLY 431.A O no hydrogen 2.985 N/A ALA 417.A N ILE 382.A O no hydrogen 2.832 N/A PHE 418.A N ILE 429.A O no hydrogen 2.906 N/A GLU 419.A N ARG 380.A O no hydrogen 2.918 N/A GLY 420.A N TRP 427.A O no hydrogen 2.951 N/A THR 422.A N VAL 425.A O no hydrogen 2.966 N/A THR 422.A OG1 TYR 379.A OH no hydrogen 2.408 N/A VAL 425.A N THR 422.A O no hydrogen 2.913 N/A ASN 426.A N ASN 465.A O no hydrogen 2.828 N/A TRP 427.A N GLY 420.A O no hydrogen 3.014 N/A TRP 427.A NE1 THR 422.A OG1 no hydrogen 3.020 N/A ARG 428.A N THR 463.A O no hydrogen 2.903 N/A ARG 428.A NH1 SER 430.A OG no hydrogen 2.839 N/A ARG 428.A NH2 GLU 415.A OE2 no hydrogen 2.880 N/A ILE 429.A N PHE 418.A O no hydrogen 2.938 N/A SER 430.A N GLU 461.A O no hydrogen 2.806 N/A SER 430.A OG GLU 415.A OE2 no hydrogen 2.629 N/A GLY 431.A N GLY 416.A O no hydrogen 2.989 N/A TYR 432.A N GLY 459.A O no hydrogen 3.009 N/A ARG 433.A N TRP 414.A O no hydrogen 2.910 N/A ARG 433.A NE ASP 435.A OD2 no hydrogen 3.503 N/A ASN 434.A N ILE 457.A O no hydrogen 2.877 N/A ASN 434.A ND2 ILE 119.A O no hydrogen 3.654 N/A ASP 435.A N LYS 412.A O no hydrogen 2.815 N/A VAL 436.A N ALA 455.A O no hydrogen 3.006 N/A SER 437.A N LYS 410.A O no hydrogen 2.636 N/A LEU 439.A N GLY 453.A O no hydrogen 2.792 N/A ILE 440.A N GLU 409.A OE2 no hydrogen 2.887 N/A ASP 441.A N TYR 450.A O no hydrogen 2.928 N/A TYR 442.A N ASP 441.A OD1 no hydrogen 2.807 N/A ASP 443.A N LYS 448.A O no hydrogen 2.957 N/A THR 446.A N ASP 443.A OD1 no hydrogen 3.038 N/A THR 446.A OG1 TYR 450.A OH no hydrogen 2.822 N/A TYR 449.A N TYR 401.A O no hydrogen 3.186 N/A TYR 450.A N ASP 441.A O no hydrogen 2.919 N/A TYR 450.A OH THR 446.A OG1 no hydrogen 2.822 N/A ASN 451.A ND2 ASP 407.A O no hydrogen 2.890 N/A ASN 451.A ND2 ASP 438.A O no hydrogen 2.764 N/A GLU 452.A N LEU 439.A O no hydrogen 2.576 N/A ALA 455.A N VAL 436.A O no hydrogen 2.842 N/A ARG 456.A N ARG 483.A O no hydrogen 2.779 N/A ILE 457.A N ASN 434.A O no hydrogen 2.791 N/A LYS 458.A N ASP 481.A O no hydrogen 3.106 N/A GLY 459.A N TYR 432.A O no hydrogen 2.965 N/A VAL 460.A N TYR 479.A O no hydrogen 2.978 N/A GLU 461.A N SER 430.A O no hydrogen 2.788 N/A ALA 462.A N TYR 477.A O no hydrogen 2.866 N/A THR 463.A N ARG 428.A O no hydrogen 2.886 N/A ALA 464.A N VAL 475.A O no hydrogen 2.991 N/A ASN 465.A N ASN 426.A O no hydrogen 2.863 N/A PHE 466.A N HIS 473.A O no hydrogen 3.131 N/A THR 468.A N LEU 471.A O no hydrogen 2.918 N/A THR 468.A OG1 HIS 473.A NE2 no hydrogen 2.790 N/A LEU 471.A N THR 468.A O no hydrogen 3.097 N/A THR 472.A N ASP 504.A O no hydrogen 2.844 N/A THR 472.A OG1 ASP 467.A OD1 no hydrogen 2.650 N/A HIS 473.A N PHE 466.A O no hydrogen 2.842 N/A HIS 473.A ND1 TYR 501.A OH no hydrogen 2.702 N/A HIS 473.A NE2 THR 468.A OG1 no hydrogen 2.790 N/A THR 474.A N GLN 502.A O no hydrogen 2.932 N/A VAL 475.A N ALA 464.A O no hydrogen 2.899 N/A SER 476.A N LYS 500.A O no hydrogen 2.898 N/A TYR 477.A N ALA 462.A O no hydrogen 2.758 N/A ASP 478.A N GLN 498.A O no hydrogen 2.977 N/A TYR 479.A N VAL 460.A O no hydrogen 3.181 N/A VAL 480.A N LYS 496.A O no hydrogen 2.751 N/A ASP 481.A N LYS 458.A O no hydrogen 2.903 N/A ARG 483.A N ARG 456.A O no hydrogen 2.996 N/A ARG 483.A NE ASP 481.A OD1 no hydrogen 2.975 N/A ARG 483.A NE ASP 481.A OD2 no hydrogen 3.277 N/A ARG 483.A NH1 ASP 488.A O no hydrogen 2.783 N/A ARG 483.A NH2 ASP 481.A OD1 no hydrogen 3.254 N/A ASN 484.A N THR 489.A O no hydrogen 2.964 N/A ASN 484.A ND2 GLU 452.A O no hydrogen 3.263 N/A ALA 485.A N LYS 454.A O no hydrogen 2.972 N/A ILE 486.A N ASN 484.A OD1 no hydrogen 2.859 N/A THR 487.A N ASN 484.A OD1 no hydrogen 3.326 N/A THR 487.A OG1 THR 489.A OG1 no hydrogen 2.940 N/A THR 489.A N THR 487.A OG1 no hydrogen 3.297 N/A THR 489.A OG1 THR 487.A OG1 no hydrogen 2.940 N/A LEU 491.A N ALA 482.A O no hydrogen 2.939 N/A ARG 493.A N TYR 523.A O no hydrogen 2.580 N/A ARG 493.A NE ASP 524.A OD1 no hydrogen 2.709 N/A ARG 493.A NH2 ASP 524.A OD1 no hydrogen 3.314 N/A ARG 494.A NE LEU 492.A O no hydrogen 3.009 N/A ARG 494.A NH1 GLY 66.A O no hydrogen 3.012 N/A ARG 494.A NH1 ASN 68.A OD1 no hydrogen 2.632 N/A ARG 494.A NH2 ASN 68.A OD1 no hydrogen 3.280 N/A ARG 494.A NH2 LEU 492.A O no hydrogen 2.837 N/A ALA 495.A N ASP 49.A OD2 no hydrogen 2.829 N/A LYS 496.A N THR 521.A O no hydrogen 2.907 N/A GLN 497.A NE2 TYR 477.A OH no hydrogen 2.622 N/A GLN 498.A N ASP 478.A O no hydrogen 2.945 N/A GLN 498.A NE2 VAL 48.A O no hydrogen 3.046 N/A VAL 499.A N TYR 518.A O no hydrogen 2.997 N/A LYS 500.A N SER 476.A O no hydrogen 3.072 N/A LYS 500.A NZ ARG 43.A O no hydrogen 2.795 N/A LYS 500.A NZ LEU 45.A O no hydrogen 2.932 N/A LYS 500.A NZ VAL 48.A O no hydrogen 2.673 N/A TYR 501.A N TYR 516.A O no hydrogen 3.017 N/A TYR 501.A OH HIS 473.A ND1 no hydrogen 2.702 N/A GLN 502.A N THR 474.A O no hydrogen 2.824 N/A GLN 502.A NE2 ASP 504.A OD1 no hydrogen 2.964 N/A LEU 503.A N ILE 514.A O no hydrogen 2.976 N/A ASP 504.A N THR 472.A O no hydrogen 3.083 N/A TRP 505.A N TRP 512.A O no hydrogen 3.124 N/A LEU 507.A N PHE 510.A O no hydrogen 3.088 N/A PHE 510.A N LEU 507.A O no hydrogen 3.160 N/A ASP 511.A N ALA 548.A O no hydrogen 2.975 N/A TRP 512.A N TRP 505.A O no hydrogen 2.746 N/A GLY 513.A N ALA 546.A O no hydrogen 2.850 N/A ILE 514.A N LEU 503.A O no hydrogen 2.797 N/A THR 515.A N ASP 544.A O no hydrogen 3.055 N/A THR 515.A OG1 GLN 502.A OE1 no hydrogen 2.654 N/A TYR 516.A N TYR 501.A O no hydrogen 2.853 N/A TYR 516.A OH SER 541.A OG no hydrogen 2.781 N/A GLN 517.A N LEU 542.A O no hydrogen 2.812 N/A GLN 517.A NE2 ARG 43.A O no hydrogen 3.186 N/A GLN 517.A NE2 GLN 498.A OE1 no hydrogen 2.993 N/A TYR 518.A N VAL 499.A O no hydrogen 2.864 N/A LEU 519.A N VAL 540.A O no hydrogen 2.828 N/A GLY 520.A N GLN 497.A O no hydrogen 2.746 N/A ARG 522.A N MET 537.A O no hydrogen 3.165 N/A ARG 522.A NH1 ASP 49.A OD1 no hydrogen 2.706 N/A ARG 522.A NH1 ARG 493.A O no hydrogen 3.011 N/A ASP 524.A N VAL 535.A O no hydrogen 2.984 N/A LYS 525.A NZ ASP 444.A OD2 no hydrogen 2.907 N/A ASP 526.A N GLN 533.A O no hydrogen 2.782 N/A SER 528.A N ASP 526.A OD1 no hydrogen 2.751 N/A SER 528.A OG ASP 526.A OD1 no hydrogen 2.528 N/A SER 528.A OG ASP 526.A OD2 no hydrogen 3.355 N/A VAL 535.A N ASP 524.A O no hydrogen 2.719 N/A MET 537.A N ARG 522.A O no hydrogen 2.700 N/A VAL 540.A N LEU 519.A O no hydrogen 2.903 N/A SER 541.A OG TYR 516.A OH no hydrogen 2.781 N/A LEU 542.A N GLN 517.A O no hydrogen 2.869 N/A ASP 544.A N THR 515.A O no hydrogen 3.047 N/A LEU 545.A N ILE 561.A O no hydrogen 2.944 N/A ALA 546.A N GLY 513.A O no hydrogen 2.942 N/A VAL 547.A N GLY 559.A O no hydrogen 3.014 N/A ALA 548.A N ASP 511.A O no hydrogen 3.005 N/A TYR 549.A N VAL 557.A O no hydrogen 2.804 N/A THR 552.A N LEU 555.A O no hydrogen 3.206 N/A HIS 554.A N THR 552.A OG1 no hydrogen 3.206 N/A HIS 554.A ND1 THR 589.A O no hydrogen 2.773 N/A LEU 555.A N THR 552.A OG1 no hydrogen 3.175 N/A THR 556.A N SER 587.A O no hydrogen 2.997 N/A VAL 557.A N TYR 549.A O no hydrogen 3.007 N/A ARG 558.A N SER 585.A O no hydrogen 2.857 N/A GLY 559.A N VAL 547.A O no hydrogen 2.864 N/A LYS 560.A N THR 583.A O no hydrogen 2.802 N/A LYS 560.A NZ GLN 34.A O no hydrogen 3.229 N/A ILE 561.A N LEU 545.A O no hydrogen 2.805 N/A ALA 562.A N GLU 581.A O no hydrogen 2.893 N/A ASN 563.A N ASP 544.A OD1 no hydrogen 2.892 N/A ASN 563.A ND2 LYS 567.A O no hydrogen 2.827 N/A LEU 564.A N TRP 543.A O no hydrogen 2.895 N/A ASP 566.A N ASN 563.A O no hydrogen 3.028 N/A LYS 567.A N ASN 563.A OD1 no hydrogen 2.906 N/A LYS 567.A NZ ASP 568.A O no hydrogen 2.956 N/A TYR 573.A N ASP 524.A OD2 no hydrogen 2.731 N/A GLY 574.A N GLU 570.A OE1 no hydrogen 3.085 N/A TYR 575.A N VAL 572.A O no hydrogen 3.195 N/A GLN 576.A N VAL 176.A O no hydrogen 2.914 N/A THR 577.A OG1 TYR 569.A O no hydrogen 2.517 N/A ARG 580.A N ASP 566.A OD1 no hydrogen 2.697 N/A ARG 580.A NE LEU 564.A O no hydrogen 2.986 N/A ARG 580.A NH1 LEU 564.A O no hydrogen 2.905 N/A GLU 581.A N ALA 562.A O no hydrogen 3.175 N/A TYR 582.A N SER 142.A OG no hydrogen 2.951 N/A THR 583.A N LYS 560.A O no hydrogen 2.979 N/A LEU 584.A N TRP 140.A O no hydrogen 2.699 N/A SER 585.A N ARG 558.A O no hydrogen 2.876 N/A GLY 586.A N ALA 138.A O no hydrogen 2.904 N/A SER 587.A N THR 556.A O no hydrogen 2.927 N/A TYR 588.A N ILE 136.A O no hydrogen 2.738 N/A THR 589.A N HIS 554.A O no hydrogen 2.925 N/A PHE 590.A N THR 134.A O no hydrogen 2.807 N/A