Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mgd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 VAL 6.A O no hydrogen 2.742 N/A VAL 6.A N GLN 3.A OE1 no hydrogen 2.704 N/A THR 7.A N PHE 14.A O no hydrogen 3.120 N/A ASP 9.A N SER 12.A O no hydrogen 3.117 N/A LYS 11.A N ASP 9.A OD1 no hydrogen 3.026 N/A LYS 11.A NZ GLN 295.A OE1 no hydrogen 2.900 N/A LYS 11.A NZ ALA 358.A O no hydrogen 3.478 N/A SER 12.A N ASP 9.A OD1 no hydrogen 3.254 N/A SER 12.A OG LEU 13.A O no hydrogen 3.096 N/A PHE 14.A N THR 7.A O no hydrogen 2.797 N/A ILE 15.A N GLU 18.A O no hydrogen 2.921 N/A ASN 16.A N TYR 5.A O no hydrogen 2.941 N/A GLU 18.A N ILE 15.A O no hydrogen 3.312 N/A ARG 19.A NH1 ASP 9.A OD1 no hydrogen 3.029 N/A ARG 19.A NH1 ASP 9.A OD2 no hydrogen 3.539 N/A ARG 19.A NH1 SER 12.A OG no hydrogen 2.814 N/A ARG 19.A NH2 ASP 9.A OD2 no hydrogen 2.799 N/A ILE 20.A N LEU 13.A O no hydrogen 3.236 N/A ILE 22.A N ALA 297.A O no hydrogen 2.969 N/A PHE 23.A N ASN 51.A OD1 no hydrogen 2.933 N/A SER 24.A N MET 299.A O no hydrogen 2.724 N/A SER 24.A OG ASN 300.A OD1 no hydrogen 2.745 N/A GLY 25.A N CYS 52.A O no hydrogen 3.218 N/A GLU 26.A N LEU 301.A O no hydrogen 2.787 N/A PHE 27.A N SER 54.A O no hydrogen 2.993 N/A HIS 28.A NE2 GLU 26.A OE2 no hydrogen 3.055 N/A ARG 31.A N HIS 28.A O no hydrogen 3.112 N/A ARG 31.A NE ASN 309.A OD1 no hydrogen 2.742 N/A ARG 31.A NH1 HIS 28.A ND1 no hydrogen 3.158 N/A ARG 31.A NH1 ALA 101.A O no hydrogen 2.894 N/A ARG 31.A NH2 ALA 101.A O no hydrogen 2.947 N/A ARG 31.A NH2 GLU 102.A O no hydrogen 3.016 N/A ARG 31.A NH2 ASN 309.A OD1 no hydrogen 2.793 N/A LEU 32.A N PRO 29.A O no hydrogen 3.272 N/A LYS 35.A NZ GLU 953.A OE2 no hydrogen 3.248 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.743 N/A GLN 38.A N VAL 34.A O no hydrogen 3.067 N/A GLN 38.A NE2 PRO 29.A O no hydrogen 3.442 N/A GLN 38.A NE2 LEU 32.A O no hydrogen 3.092 N/A LEU 39.A N LYS 35.A O no hydrogen 3.225 N/A ASP 40.A N GLU 36.A O no hydrogen 3.189 N/A ILE 41.A N LEU 37.A O no hydrogen 3.218 N/A PHE 42.A N GLN 38.A O no hydrogen 3.134 N/A GLN 43.A N LEU 39.A O no hydrogen 2.990 N/A LYS 44.A N ASP 40.A O no hydrogen 3.011 N/A LYS 44.A NZ ASP 40.A OD1 no hydrogen 3.078 N/A LYS 44.A NZ ASP 40.A OD2 no hydrogen 2.671 N/A LYS 44.A NZ ARG 332.A O no hydrogen 2.846 N/A VAL 45.A N ILE 41.A O no hydrogen 2.901 N/A VAL 45.A N PHE 42.A O no hydrogen 3.181 N/A LYS 46.A N PHE 42.A O no hydrogen 3.015 N/A LYS 46.A NZ GLY 88.A O no hydrogen 2.912 N/A LYS 46.A NZ GLN 537.A OE1 no hydrogen 3.224 N/A LYS 46.A NZ GLY 546.A O no hydrogen 3.182 N/A LYS 46.A NZ SER 548.A OG no hydrogen 2.968 N/A ALA 47.A N GLN 43.A O no hydrogen 3.137 N/A LEU 48.A N VAL 45.A O no hydrogen 2.962 N/A GLY 49.A N LYS 46.A O no hydrogen 3.142 N/A ASN 51.A N PHE 23.A O no hydrogen 3.200 N/A ASN 51.A ND2 MET 21.A O no hydrogen 2.831 N/A CYS 52.A SG SER 24.A OG no hydrogen 3.715 N/A CYS 52.A SG VAL 53.A O no hydrogen 3.785 N/A CYS 52.A SG TYR 90.A O no hydrogen 3.449 N/A VAL 53.A N TYR 90.A O no hydrogen 2.783 N/A SER 54.A N GLY 25.A O no hydrogen 2.942 N/A SER 54.A OG GLU 26.A OE1 no hydrogen 2.467 N/A PHE 55.A N LEU 92.A O no hydrogen 3.137 N/A TYR 56.A OH ASN 159.A OD1 no hydrogen 2.554 N/A TRP 59.A NE1 GLU 63.A OE2 no hydrogen 2.731 N/A ALA 60.A N ASP 58.A OD1 no hydrogen 3.103 N/A ALA 60.A N GLY 107.A O no hydrogen 2.928 N/A LEU 61.A N ASP 58.A O no hydrogen 3.241 N/A VAL 62.A N TRP 59.A O no hydrogen 3.081 N/A GLU 63.A N TRP 59.A O no hydrogen 2.889 N/A LYS 65.A NZ ASP 804.A OD1 no hydrogen 2.859 N/A GLY 67.A N GLU 63.A OE1 no hydrogen 2.853 N/A GLU 68.A N LYS 65.A O no hydrogen 3.081 N/A ARG 70.A N VAL 62.A O no hydrogen 2.770 N/A PHE 75.A N ASP 72.A O no hydrogen 2.932 N/A ASP 76.A N GLY 73.A O no hydrogen 3.279 N/A GLU 78.A N ASP 76.A OD1 no hydrogen 3.091 N/A PHE 81.A N LEU 77.A O no hydrogen 2.873 N/A ASP 82.A N GLU 78.A O no hydrogen 2.878 N/A ALA 83.A N PRO 79.A O no hydrogen 2.990 N/A ALA 84.A N PHE 80.A O no hydrogen 3.094 N/A SER 85.A N PHE 81.A O no hydrogen 2.916 N/A SER 85.A OG PHE 81.A O no hydrogen 3.227 N/A GLU 86.A N ASP 82.A O no hydrogen 2.913 N/A ALA 87.A N ALA 83.A O no hydrogen 3.004 N/A GLY 88.A N SER 85.A O no hydrogen 2.870 N/A ILE 89.A N ALA 84.A O no hydrogen 2.893 N/A TYR 90.A N ASN 51.A O no hydrogen 2.803 N/A LEU 91.A N PRO 151.A O no hydrogen 2.912 N/A LEU 92.A N VAL 53.A O no hydrogen 2.846 N/A ALA 93.A N LEU 154.A O no hydrogen 2.876 N/A ARG 94.A N PHE 55.A O no hydrogen 2.964 N/A ARG 94.A NE GLU 26.A OE2 no hydrogen 3.384 N/A ARG 94.A NH1 GLN 156.A OE1 no hydrogen 3.069 N/A ARG 94.A NH1 GLN 258.A OE1 no hydrogen 2.816 N/A ARG 94.A NH2 GLU 26.A OE2 no hydrogen 2.892 N/A ARG 94.A NH2 GLN 258.A OE1 no hydrogen 3.263 N/A TYR 98.A OH ASN 100.A OD1 no hydrogen 2.685 N/A ILE 99.A N GLY 106.A O no hydrogen 2.888 N/A ASN 100.A N GLY 106.A O no hydrogen 2.953 N/A SER 103.A N ASN 100.A O no hydrogen 3.151 N/A SER 103.A OG ASN 100.A O no hydrogen 2.711 N/A SER 104.A N LEU 313.A O no hydrogen 2.879 N/A GLY 105.A N LEU 762.A O no hydrogen 2.973 N/A GLY 106.A N SER 103.A O no hydrogen 2.967 N/A GLY 107.A N SER 104.A O no hydrogen 3.096 N/A PHE 108.A N GLY 105.A O no hydrogen 3.099 N/A TRP 111.A NE1 GLU 63.A O no hydrogen 2.865 N/A LEU 112.A N PRO 109.A O no hydrogen 3.096 N/A GLN 113.A N GLY 110.A O no hydrogen 3.054 N/A GLN 113.A NE2 MET 773.A O no hydrogen 2.818 N/A GLN 113.A NE2 THR 775.A O no hydrogen 3.034 N/A ARG 114.A N TRP 111.A O no hydrogen 2.898 N/A ARG 114.A NH1 SER 679.A O no hydrogen 3.060 N/A ARG 114.A NH1 GLU 803.A OE2 no hydrogen 2.736 N/A ARG 114.A NH2 GLU 803.A OE1 no hydrogen 2.887 N/A ARG 114.A NH2 GLU 803.A OE2 no hydrogen 3.409 N/A VAL 115.A N LEU 112.A O no hydrogen 3.338 N/A GLY 117.A N VAL 115.A O no hydrogen 3.038 N/A THR 118.A N ASP 123.A OD2 no hydrogen 2.882 N/A LEU 119.A N ASP 771.A OD1 no hydrogen 2.838 N/A ARG 120.A NE GLU 158.A OE2 no hydrogen 2.867 N/A ARG 120.A NH1 ASN 765.A O no hydrogen 2.793 N/A ARG 120.A NH1 TRP 766.A O no hydrogen 3.258 N/A ARG 120.A NH2 GLU 158.A OE1 no hydrogen 2.690 N/A ARG 120.A NH2 GLU 160.A O no hydrogen 3.569 N/A SER 121.A OG THR 118.A O no hydrogen 2.746 N/A SER 122.A OG ASP 172.A OD2 no hydrogen 2.698 N/A ASP 123.A N SER 121.A OG no hydrogen 3.075 N/A LYS 124.A NZ ASP 128.A OD2 no hydrogen 2.947 N/A LEU 127.A N ASP 123.A O no hydrogen 3.206 N/A ASP 128.A N LYS 124.A O no hydrogen 2.946 N/A ALA 129.A N ALA 125.A O no hydrogen 3.297 N/A THR 130.A N TYR 126.A O no hydrogen 3.285 N/A THR 130.A N LEU 127.A O no hydrogen 3.200 N/A THR 130.A OG1 LEU 127.A O no hydrogen 2.658 N/A ASP 131.A N ASP 128.A O no hydrogen 3.314 N/A ASN 132.A ND2 GLU 63.A OE1 no hydrogen 2.970 N/A TYR 133.A OH PRO 95.A O no hydrogen 2.608 N/A VAL 134.A N THR 130.A O no hydrogen 3.058 N/A SER 135.A N ASP 131.A O no hydrogen 2.994 N/A SER 135.A OG ASP 131.A O no hydrogen 2.702 N/A SER 135.A OG ASN 132.A O no hydrogen 3.383 N/A HIS 136.A N ASN 132.A O no hydrogen 3.343 N/A HIS 136.A ND1 ASN 132.A O no hydrogen 2.878 N/A VAL 137.A N TYR 133.A O no hydrogen 2.895 N/A ALA 138.A N VAL 134.A O no hydrogen 2.886 N/A ALA 139.A N SER 135.A O no hydrogen 3.430 N/A THR 140.A N HIS 136.A O no hydrogen 3.207 N/A THR 140.A OG1 HIS 136.A O no hydrogen 3.093 N/A ILE 141.A N VAL 137.A O no hydrogen 2.956 N/A ALA 142.A N ALA 138.A O no hydrogen 2.709 N/A LYS 143.A N ALA 139.A O no hydrogen 3.139 N/A TYR 144.A N ILE 141.A O no hydrogen 3.101 N/A GLN 145.A N ALA 142.A O no hydrogen 3.303 N/A GLN 145.A NE2 ALA 142.A O no hydrogen 2.962 N/A GLN 145.A NE2 GLY 187.A O no hydrogen 3.270 N/A ILE 146.A N ILE 152.A O no hydrogen 2.879 N/A ASN 148.A N GLN 145.A O no hydrogen 2.929 N/A ASN 148.A ND2 LYS 143.A O no hydrogen 2.813 N/A GLY 149.A N ILE 146.A O no hydrogen 3.048 N/A GLY 150.A N GLN 145.A O no hydrogen 2.799 N/A ILE 152.A N TYR 144.A O no hydrogen 3.035 N/A ILE 153.A N LEU 91.A O no hydrogen 2.897 N/A TYR 155.A N PRO 191.A O no hydrogen 3.150 N/A GLN 156.A N ALA 93.A O no hydrogen 2.728 N/A GLN 156.A NE2 GLU 158.A O no hydrogen 2.866 N/A GLN 156.A NE2 ASN 159.A OD1 no hydrogen 3.265 N/A GLU 158.A N GLY 96.A O no hydrogen 2.999 N/A ASN 159.A N GLU 158.A OE1 no hydrogen 2.704 N/A GLU 160.A N ASN 195.A OD1 no hydrogen 2.958 N/A THR 162.A OG1 ASP 196.A OD1 no hydrogen 2.860 N/A CYS 165.A N VAL 768.A O no hydrogen 2.978 N/A CYS 165.A SG VAL 768.A O no hydrogen 3.980 N/A VAL 168.A N CYS 165.A O no hydrogen 3.261 N/A ASP 172.A N TYR 161.A OH no hydrogen 2.911 N/A VAL 174.A N ASP 172.A OD1 no hydrogen 2.909 N/A TYR 175.A N ASP 172.A OD1 no hydrogen 3.386 N/A TYR 175.A OH GLU 158.A OE2 no hydrogen 2.703 N/A MET 176.A N ASP 172.A O no hydrogen 3.342 N/A GLN 177.A N PRO 173.A O no hydrogen 3.059 N/A TYR 178.A N VAL 174.A O no hydrogen 3.086 N/A TYR 178.A OH ASP 131.A OD1 no hydrogen 2.670 N/A TYR 178.A OH ASP 131.A OD2 no hydrogen 3.127 N/A VAL 179.A N TYR 175.A O no hydrogen 3.033 N/A GLU 180.A N MET 176.A O no hydrogen 2.969 N/A ASP 181.A N GLN 177.A O no hydrogen 2.836 N/A GLN 182.A N TYR 178.A O no hydrogen 2.947 N/A GLN 182.A NE2 THR 130.A OG1 no hydrogen 3.042 N/A GLN 182.A NE2 ASP 131.A OD1 no hydrogen 2.924 N/A ARG 184.A N GLU 180.A O no hydrogen 3.232 N/A ARG 184.A NH1 VAL 188.A O no hydrogen 2.844 N/A ARG 184.A NH1 ILE 190.A O no hydrogen 2.853 N/A ARG 184.A NH2 ILE 190.A O no hydrogen 3.312 N/A ASN 185.A N ASP 181.A O no hydrogen 2.803 N/A ALA 186.A N GLN 182.A O no hydrogen 3.176 N/A GLY 187.A N ARG 184.A O no hydrogen 2.885 N/A VAL 188.A N ALA 183.A O no hydrogen 3.044 N/A VAL 189.A N GLN 145.A OE1 no hydrogen 2.676 N/A ILE 190.A N GLN 145.A OE1 no hydrogen 3.137 N/A LEU 192.A N ASP 213.A OD2 no hydrogen 2.779 N/A ILE 193.A N TYR 155.A O no hydrogen 2.872 N/A ASN 194.A ND2 ASN 202.A O no hydrogen 2.937 N/A ASN 195.A ND2 ASN 159.A OD1 no hydrogen 2.945 N/A ASN 195.A ND2 GLN 258.A OE1 no hydrogen 2.840 N/A ASP 196.A N GLY 216.A O no hydrogen 3.038 N/A ALA 197.A N THR 162.A OG1 no hydrogen 2.759 N/A SER 198.A OG SER 200.A OG no hydrogen 2.888 N/A SER 200.A OG SER 198.A OG no hydrogen 2.888 N/A GLY 201.A N TYR 215.A OH no hydrogen 3.005 N/A ASN 202.A N ASP 196.A OD2 no hydrogen 2.975 N/A ASN 202.A ND2 ASP 196.A OD1 no hydrogen 2.848 N/A ALA 204.A N GLY 201.A O no hydrogen 3.323 N/A THR 207.A N ALA 204.A O no hydrogen 3.232 N/A THR 207.A OG1 ALA 204.A O no hydrogen 2.649 N/A GLY 210.A N GLN 177.A OE1 no hydrogen 2.816 N/A ALA 211.A N GLY 208.A O no hydrogen 3.335 N/A VAL 212.A N ASN 203.A O no hydrogen 2.834 N/A ASP 213.A N LEU 192.A O no hydrogen 2.987 N/A ILE 214.A N LEU 192.A O no hydrogen 3.107 N/A TYR 215.A OH ASP 196.A OD2 no hydrogen 2.757 N/A GLY 216.A N ASN 194.A OD1 no hydrogen 2.917 N/A HIS 217.A N ALA 255.A O no hydrogen 3.239 N/A HIS 217.A ND1 ASP 218.A O no hydrogen 2.988 N/A HIS 217.A NE2 TYR 254.A OH no hydrogen 2.851 N/A ASP 218.A N ASP 196.A O no hydrogen 2.766 N/A SER 219.A N GLN 258.A O no hydrogen 2.868 N/A LEU 222.A N GLN 260.A OE1 no hydrogen 3.082 N/A GLY 223.A N TYR 220.A O no hydrogen 3.340 N/A CYS 226.A SG SER 263.A OG no hydrogen 3.234 N/A ASN 228.A N ASP 225.A O no hydrogen 3.166 N/A VAL 231.A N ASN 228.A O no hydrogen 3.207 N/A ASP 236.A N PRO 233.A O no hydrogen 3.236 N/A LEU 244.A N ASN 240.A O no hydrogen 2.942 N/A HIS 245.A N PHE 241.A O no hydrogen 3.002 N/A LEU 246.A N ARG 242.A O no hydrogen 2.967 N/A GLU 247.A N THR 243.A O no hydrogen 3.185 N/A GLN 248.A N LEU 244.A O no hydrogen 2.919 N/A GLN 248.A N HIS 245.A O no hydrogen 3.232 N/A GLN 248.A NE2 ALA 199.A O no hydrogen 2.762 N/A SER 249.A N HIS 245.A O no hydrogen 2.843 N/A SER 249.A OG THR 252.A OG1 no hydrogen 2.562 N/A THR 252.A N SER 249.A O no hydrogen 3.249 N/A THR 252.A OG1 SER 249.A O no hydrogen 3.165 N/A THR 252.A OG1 SER 249.A OG no hydrogen 2.562 N/A TYR 254.A OH HIS 217.A NE2 no hydrogen 2.851 N/A ILE 256.A N ILE 298.A O no hydrogen 2.975 N/A VAL 257.A N HIS 217.A O no hydrogen 2.919 N/A GLN 258.A NE2 TYR 220.A OH no hydrogen 2.716 N/A PHE 259.A N ASN 300.A O no hydrogen 2.776 N/A GLN 260.A N SER 219.A O no hydrogen 2.972 N/A GLN 260.A NE2 GLY 223.A O no hydrogen 2.777 N/A GLN 260.A NE2 GLY 262.A O no hydrogen 3.145 N/A GLY 261.A N TYR 302.A O no hydrogen 2.865 N/A SER 263.A N TYR 324.A O no hydrogen 2.868 N/A SER 263.A OG TYR 264.A O no hydrogen 2.826 N/A TRP 267.A N ASN 317.A O no hydrogen 3.063 N/A GLY 268.A N GLY 900.A O no hydrogen 2.970 N/A GLY 269.A N PRO 266.A O no hydrogen 2.913 N/A GLY 271.A N ASP 265.A OD2 no hydrogen 2.915 N/A CYS 275.A SG TYR 264.A O no hydrogen 3.781 N/A CYS 275.A SG GLY 271.A O no hydrogen 3.860 N/A SER 276.A N PHE 272.A O no hydrogen 2.913 N/A SER 276.A OG ALA 273.A O no hydrogen 2.618 N/A GLU 277.A N ALA 273.A O no hydrogen 3.113 N/A LEU 278.A N ALA 274.A O no hydrogen 3.117 N/A LEU 279.A N CYS 275.A O no hydrogen 2.952 N/A GLU 282.A N ASN 280.A OD1 no hydrogen 3.078 N/A PHE 283.A N ASN 280.A OD1 no hydrogen 3.192 N/A GLU 284.A N ASN 280.A O no hydrogen 3.023 N/A ARG 285.A N ASN 281.A O no hydrogen 2.961 N/A ARG 285.A NE ARG 428.A O no hydrogen 2.814 N/A ARG 285.A NH1 GLU 341.A OE1 no hydrogen 3.562 N/A ARG 285.A NH2 ARG 428.A O no hydrogen 3.161 N/A VAL 286.A N GLU 282.A O no hydrogen 3.189 N/A PHE 287.A N PHE 283.A O no hydrogen 2.798 N/A TYR 288.A N GLU 284.A O no hydrogen 2.885 N/A TYR 288.A OH GLN 260.A O no hydrogen 2.868 N/A LYS 289.A NZ SER 430.A O no hydrogen 2.885 N/A LYS 289.A NZ GLU 450.A OE1 no hydrogen 3.135 N/A LYS 289.A NZ GLU 450.A OE2 no hydrogen 2.624 N/A ASN 290.A N VAL 286.A O no hydrogen 3.206 N/A ASN 290.A ND2 PRO 238.A O no hydrogen 2.847 N/A ASP 291.A N PHE 287.A O no hydrogen 3.299 N/A PHE 292.A N TYR 288.A O no hydrogen 3.093 N/A SER 293.A N LYS 289.A O no hydrogen 3.100 N/A SER 293.A N ASN 290.A O no hydrogen 3.146 N/A SER 293.A OG ASN 290.A O no hydrogen 2.558 N/A PHE 294.A N ASP 291.A O no hydrogen 3.249 N/A GLN 295.A N PHE 292.A O no hydrogen 3.047 N/A GLN 295.A NE2 TYR 355.A O no hydrogen 2.776 N/A GLN 295.A NE2 ALA 358.A O no hydrogen 2.806 N/A ILE 296.A N ASP 291.A O no hydrogen 3.346 N/A ALA 297.A N TYR 254.A O no hydrogen 2.886 N/A ILE 298.A N TYR 254.A O no hydrogen 3.179 N/A MET 299.A N ILE 22.A O no hydrogen 2.934 N/A ASN 300.A N ILE 256.A O no hydrogen 3.114 N/A ASN 300.A ND2 GLU 26.A OE1 no hydrogen 2.781 N/A ASN 300.A ND2 VAL 257.A O no hydrogen 2.903 N/A LEU 301.A N SER 24.A O no hydrogen 2.896 N/A TYR 302.A N PHE 259.A O no hydrogen 3.075 N/A TYR 302.A OH TYR 322.A OH no hydrogen 2.860 N/A ILE 304.A N GLU 26.A O no hydrogen 3.041 N/A PHE 305.A N GLU 26.A O no hydrogen 3.329 N/A THR 308.A N ARG 31.A O no hydrogen 3.062 N/A THR 308.A OG1 GLU 330.A OE2 no hydrogen 2.564 N/A ASN 309.A N THR 320.A O no hydrogen 2.704 N/A ASN 309.A ND2 TYR 319.A O no hydrogen 3.039 N/A TRP 310.A NE1 PHE 30.A O no hydrogen 2.798 N/A GLY 311.A N GLN 891.A O no hydrogen 2.871 N/A ASN 312.A ND2 LEU 813.A O no hydrogen 2.859 N/A LEU 313.A N TRP 310.A O no hydrogen 3.107 N/A TYR 315.A N GLU 102.A O no hydrogen 3.170 N/A ASN 317.A ND2 TYR 731.A OH no hydrogen 2.741 N/A GLY 318.A N TYR 315.A O no hydrogen 3.158 N/A TYR 319.A OH ASP 265.A OD2 no hydrogen 2.624 N/A THR 320.A OG1 LYS 894.A O no hydrogen 3.327 N/A SER 321.A N GLN 902.A OE1 no hydrogen 3.304 N/A SER 321.A OG GLU 330.A OE1 no hydrogen 2.585 N/A TYR 322.A N GLY 307.A O no hydrogen 3.032 N/A TYR 322.A OH GLU 102.A OE1 no hydrogen 2.468 N/A TYR 322.A OH TYR 302.A OH no hydrogen 2.860 N/A ASP 323.A N SER 321.A OG no hydrogen 3.151 N/A GLY 325.A N ASP 323.A OD1 no hydrogen 2.767 N/A SER 326.A N ASP 323.A O no hydrogen 3.349 N/A SER 326.A OG ILE 304.A O no hydrogen 3.249 N/A SER 326.A OG ASP 323.A O no hydrogen 3.052 N/A SER 326.A OG VAL 328.A O no hydrogen 2.640 N/A VAL 328.A N ILE 304.A O no hydrogen 3.090 N/A THR 329.A N ASN 333.A O no hydrogen 3.079 N/A THR 329.A OG1 SER 331.A OG no hydrogen 3.202 N/A GLU 330.A N ASP 323.A OD2 no hydrogen 2.990 N/A SER 331.A OG THR 329.A OG1 no hydrogen 3.202 N/A ARG 332.A N THR 329.A O no hydrogen 2.760 N/A ARG 332.A NH1 ASP 40.A OD2 no hydrogen 2.681 N/A ARG 332.A NH1 ASP 865.A OD2 no hydrogen 3.164 N/A ARG 332.A NH2 ASP 865.A OD1 no hydrogen 2.859 N/A ARG 332.A NH2 ASP 865.A OD2 no hydrogen 3.554 N/A ASN 333.A N THR 329.A OG1 no hydrogen 3.254 N/A ILE 334.A N TYR 563.A OH no hydrogen 2.972 N/A THR 335.A N ASN 333.A OD1 no hydrogen 2.991 N/A THR 335.A OG1 ASN 333.A OD1 no hydrogen 2.915 N/A ARG 336.A NH1 ASP 323.A OD1 no hydrogen 2.985 N/A ARG 336.A NH1 ASP 323.A OD2 no hydrogen 3.413 N/A ARG 336.A NH1 SER 326.A O no hydrogen 2.848 N/A ARG 336.A NH2 ASP 323.A OD1 no hydrogen 2.986 N/A ARG 336.A NH2 ASP 323.A OD2 no hydrogen 3.163 N/A LYS 338.A NZ GLY 261.A O no hydrogen 3.016 N/A LYS 338.A NZ LEU 279.A O no hydrogen 2.613 N/A LYS 338.A NZ GLY 325.A O no hydrogen 2.719 N/A TYR 339.A N ARG 336.A O no hydrogen 2.968 N/A TYR 339.A OH LYS 44.A O no hydrogen 2.443 N/A GLU 341.A N GLU 337.A O no hydrogen 2.996 N/A LEU 342.A N LYS 338.A O no hydrogen 3.064 N/A LYS 343.A N TYR 339.A O no hydrogen 2.929 N/A LYS 343.A NZ TYR 531.A O no hydrogen 2.560 N/A LYS 343.A NZ TYR 533.A O no hydrogen 2.798 N/A LEU 344.A N SER 340.A O no hydrogen 3.310 N/A LEU 344.A N GLU 341.A O no hydrogen 3.161 N/A GLY 346.A N LEU 342.A O no hydrogen 3.011 N/A ASN 347.A N LYS 343.A O no hydrogen 3.098 N/A ASN 347.A ND2 LYS 343.A O no hydrogen 3.020 N/A PHE 348.A N LEU 344.A O no hydrogen 3.268 N/A ALA 349.A N LEU 345.A O no hydrogen 3.082 N/A LYS 350.A N GLY 346.A O no hydrogen 3.101 N/A LYS 350.A NZ GLN 537.A OE1 no hydrogen 3.037 N/A VAL 351.A N PHE 348.A O no hydrogen 3.413 N/A SER 352.A OG PHE 348.A O no hydrogen 2.754 N/A SER 352.A OG TYR 437.A OH no hydrogen 2.721 N/A TYR 355.A N SER 352.A O no hydrogen 3.193 N/A TYR 355.A OH PHE 292.A O no hydrogen 3.306 N/A TYR 355.A OH ILE 296.A O no hydrogen 2.804 N/A LEU 356.A N PRO 353.A O no hydrogen 3.195 N/A THR 357.A OG1 GLY 354.A O no hydrogen 3.165 N/A THR 357.A OG1 THR 384.A OG1 no hydrogen 3.243 N/A ALA 358.A N GLY 354.A O no hydrogen 3.136 N/A SER 359.A N LEU 380.A O no hydrogen 2.637 N/A GLY 361.A N PRO 378.A O no hydrogen 2.950 N/A THR 364.A N VAL 376.A O no hydrogen 3.024 N/A THR 364.A OG1 SER 366.A O no hydrogen 3.319 N/A THR 364.A OG1 VAL 376.A O no hydrogen 3.091 N/A ASP 370.A N LYS 404.A O no hydrogen 3.308 N/A ASP 373.A N THR 371.A OG1 no hydrogen 3.081 N/A LEU 374.A N THR 371.A O no hydrogen 3.260 N/A THR 375.A N ARG 391.A O no hydrogen 2.776 N/A THR 375.A OG1 SER 393.A OG no hydrogen 3.181 N/A VAL 376.A N THR 364.A O no hydrogen 2.917 N/A THR 377.A N VAL 389.A O no hydrogen 2.992 N/A LEU 379.A N PHE 387.A O no hydrogen 2.754 N/A LEU 380.A N SER 359.A O no hydrogen 2.891 N/A GLY 381.A N SER 386.A OG no hydrogen 3.082 N/A SER 383.A OG ASN 382.A O no hydrogen 2.491 N/A THR 384.A OG1 THR 357.A OG1 no hydrogen 3.243 N/A SER 386.A N THR 435.A O no hydrogen 2.903 N/A PHE 387.A N LEU 379.A O no hydrogen 2.967 N/A PHE 388.A N HIS 433.A O no hydrogen 2.832 N/A VAL 389.A N THR 377.A O no hydrogen 2.901 N/A VAL 390.A N LYS 431.A O no hydrogen 2.945 N/A ARG 391.A N THR 375.A O no hydrogen 2.998 N/A ARG 391.A NH1 HIS 392.A O no hydrogen 2.963 N/A ARG 391.A NH1 SER 393.A O no hydrogen 3.036 N/A HIS 392.A NE2 THR 401.A OG1 no hydrogen 2.932 N/A SER 393.A N ASP 373.A O no hydrogen 2.904 N/A SER 393.A OG THR 372.A O no hydrogen 2.697 N/A SER 393.A OG THR 375.A OG1 no hydrogen 3.181 N/A TYR 395.A OH PRO 233.A O no hydrogen 2.567 N/A SER 396.A OG ASP 394.A OD1 no hydrogen 2.877 N/A SER 397.A N ASP 394.A O no hydrogen 2.936 N/A GLU 399.A N SER 397.A OG no hydrogen 2.935 N/A THR 401.A N LEU 425.A O no hydrogen 2.957 N/A THR 401.A OG1 HIS 392.A NE2 no hydrogen 2.932 N/A TYR 403.A N LEU 423.A O no hydrogen 2.945 N/A TYR 403.A OH HIS 433.A NE2 no hydrogen 2.829 N/A LYS 404.A N ASP 370.A OD1 no hydrogen 3.174 N/A LEU 405.A N ILE 416.A O no hydrogen 2.877 N/A ARG 406.A N TYR 368.A O no hydrogen 2.751 N/A LEU 407.A N VAL 414.A O no hydrogen 3.180 N/A THR 409.A N GLY 412.A O no hydrogen 3.072 N/A THR 409.A OG1 GLY 412.A O no hydrogen 2.624 N/A SER 410.A N ASP 436.A OD1 no hydrogen 3.421 N/A SER 410.A N ASP 436.A OD2 no hydrogen 2.768 N/A SER 410.A OG ASP 436.A OD1 no hydrogen 2.627 N/A ALA 411.A N THR 409.A OG1 no hydrogen 3.115 N/A VAL 414.A N LEU 407.A O no hydrogen 3.133 N/A ILE 416.A N LEU 405.A O no hydrogen 2.813 N/A GLN 418.A N GLU 474.A OE1 no hydrogen 2.688 N/A LEU 419.A N GLU 474.A OE2 no hydrogen 3.192 N/A LEU 423.A N TYR 403.A O no hydrogen 2.836 N/A LEU 425.A N THR 401.A O no hydrogen 2.896 N/A GLY 427.A N GLU 399.A O no hydrogen 2.754 N/A ARG 428.A NE SER 396.A O no hydrogen 2.909 N/A ARG 428.A NH1 THR 230.A O no hydrogen 2.753 N/A ARG 428.A NH2 THR 230.A O no hydrogen 3.102 N/A ARG 428.A NH2 SER 396.A O no hydrogen 3.433 N/A ASP 429.A N GLY 427.A O no hydrogen 2.846 N/A SER 430.A N ASP 429.A OD1 no hydrogen 2.809 N/A SER 430.A OG VAL 390.A O no hydrogen 2.776 N/A LYS 431.A N VAL 390.A O no hydrogen 3.090 N/A LYS 431.A NZ ASP 429.A OD2 no hydrogen 3.205 N/A LYS 431.A NZ GLU 471.A OE1 no hydrogen 3.058 N/A LYS 431.A NZ GLU 471.A OE2 no hydrogen 3.023 N/A ILE 432.A N GLU 450.A OE2 no hydrogen 3.251 N/A HIS 433.A N PHE 388.A O no hydrogen 2.922 N/A HIS 433.A ND1 THR 448.A O no hydrogen 2.663 N/A HIS 433.A NE2 TYR 403.A OH no hydrogen 2.829 N/A VAL 434.A N SER 447.A O no hydrogen 3.191 N/A THR 435.A N SER 386.A O no hydrogen 3.127 N/A ASP 436.A N ILE 445.A O no hydrogen 2.915 N/A TYR 437.A N ILE 444.A O no hydrogen 2.760 N/A TYR 437.A OH SER 352.A OG no hydrogen 2.721 N/A VAL 439.A N THR 442.A O no hydrogen 2.736 N/A GLY 441.A N ASN 438.A OD1 no hydrogen 2.803 N/A THR 442.A N VAL 439.A O no hydrogen 3.032 N/A ASN 443.A ND2 ASP 436.A OD1 no hydrogen 3.209 N/A ASN 443.A ND2 SER 478.A OG no hydrogen 3.082 N/A ILE 444.A N TYR 437.A O no hydrogen 2.924 N/A TYR 446.A N ALA 476.A O no hydrogen 3.409 N/A TYR 446.A OH GLN 418.A OE1 no hydrogen 3.038 N/A TYR 446.A OH GLU 474.A OE1 no hydrogen 2.412 N/A SER 447.A N VAL 434.A O no hydrogen 3.002 N/A SER 447.A OG ALA 449.A O no hydrogen 2.983 N/A THR 448.A N GLU 474.A O no hydrogen 3.106 N/A THR 448.A OG1 HIS 473.A ND1 no hydrogen 2.760 N/A THR 448.A OG1 GLU 474.A O no hydrogen 3.297 N/A GLU 450.A N TYR 466.A O no hydrogen 3.114 N/A PHE 452.A N VAL 464.A O no hydrogen 2.815 N/A TRP 454.A NE1 VAL 351.A O no hydrogen 2.928 N/A LYS 455.A N VAL 462.A O no hydrogen 2.858 N/A LYS 455.A NZ VAL 553.A O no hydrogen 2.715 N/A PHE 457.A N GLY 460.A O no hydrogen 2.900 N/A LYS 461.A N ASP 519.A O no hydrogen 2.758 N/A LYS 461.A NZ SER 440.A O no hydrogen 2.824 N/A LYS 461.A NZ THR 442.A OG1 no hydrogen 2.795 N/A VAL 462.A N LYS 455.A O no hydrogen 2.894 N/A LEU 463.A N LYS 521.A O no hydrogen 2.931 N/A VAL 464.A N THR 453.A O no hydrogen 2.898 N/A LEU 465.A N LEU 523.A O no hydrogen 2.969 N/A TYR 466.A N GLU 450.A O no hydrogen 3.062 N/A GLY 467.A N LEU 525.A O no hydrogen 3.182 N/A GLY 468.A N GLU 471.A OE1 no hydrogen 3.043 N/A HIS 472.A ND1 ASP 507.A OD1 no hydrogen 2.751 N/A HIS 473.A N TRP 506.A O no hydrogen 2.697 N/A HIS 473.A ND1 THR 448.A OG1 no hydrogen 2.760 N/A HIS 473.A NE2 GLU 471.A OE1 no hydrogen 2.735 N/A GLU 474.A N THR 448.A OG1 no hydrogen 3.027 N/A LEU 475.A N VAL 504.A O no hydrogen 2.941 N/A ALA 476.A N TYR 446.A O no hydrogen 2.917 N/A ILE 477.A N VAL 502.A O no hydrogen 3.084 N/A SER 478.A N ASN 443.A O no hydrogen 2.931 N/A THR 479.A N SER 500.A O no hydrogen 3.116 N/A SER 481.A N THR 479.A OG1 no hydrogen 2.742 N/A SER 481.A OG THR 479.A OG1 no hydrogen 3.397 N/A VAL 483.A N ASN 482.A OD1 no hydrogen 2.914 N/A THR 484.A N GLN 516.A O no hydrogen 3.008 N/A ILE 486.A N ILE 514.A O no hydrogen 2.809 N/A GLU 487.A N ILE 514.A O no hydrogen 3.181 N/A SER 491.A N SER 489.A OG no hydrogen 3.356 N/A ILE 493.A N GLU 490.A O no hydrogen 3.228 N/A SER 494.A N GLY 505.A O no hydrogen 3.025 N/A LYS 496.A N VAL 503.A O no hydrogen 3.024 N/A THR 498.A N SER 501.A O no hydrogen 2.883 N/A THR 498.A OG1 SER 501.A O no hydrogen 3.560 N/A THR 498.A OG1 SER 501.A OG no hydrogen 2.720 N/A SER 501.A OG THR 498.A OG1 no hydrogen 2.720 N/A VAL 502.A N ILE 477.A O no hydrogen 3.234 N/A VAL 503.A N LYS 496.A O no hydrogen 2.791 N/A VAL 504.A N LEU 475.A O no hydrogen 2.895 N/A GLY 505.A N SER 494.A O no hydrogen 2.803 N/A TRP 506.A N HIS 473.A O no hydrogen 2.836 N/A VAL 508.A N GLU 471.A O no hydrogen 2.872 N/A THR 511.A N SER 509.A OG no hydrogen 3.063 N/A ARG 512.A NE GLU 487.A OE2 no hydrogen 3.054 N/A ARG 512.A NH1 TYR 533.A OH no hydrogen 2.885 N/A ARG 512.A NH1 GLU 588.A OE1 no hydrogen 2.991 N/A ARG 512.A NH2 GLU 487.A OE1 no hydrogen 3.173 N/A ARG 512.A NH2 GLU 487.A OE2 no hydrogen 3.356 N/A ARG 512.A NH2 GLU 588.A OE1 no hydrogen 2.775 N/A ARG 513.A N LEU 524.A O no hydrogen 3.178 N/A ARG 513.A NE THR 511.A O no hydrogen 3.201 N/A ARG 513.A NH2 ASP 507.A O no hydrogen 2.549 N/A ILE 514.A N GLU 487.A O no hydrogen 3.163 N/A ILE 515.A N ILE 522.A O no hydrogen 3.027 N/A GLN 516.A N THR 484.A O no hydrogen 2.790 N/A GLN 516.A NE2 GLY 518.A O no hydrogen 3.258 N/A VAL 517.A N LEU 520.A O no hydrogen 2.832 N/A LEU 520.A N VAL 517.A O no hydrogen 3.182 N/A LYS 521.A N LYS 461.A O no hydrogen 2.827 N/A ILE 522.A N ILE 515.A O no hydrogen 2.834 N/A LEU 523.A N LEU 463.A O no hydrogen 2.791 N/A LEU 524.A N ARG 513.A O no hydrogen 2.834 N/A LEU 525.A N LEU 465.A O no hydrogen 3.062 N/A ARG 527.A N GLY 467.A O no hydrogen 2.919 N/A ARG 527.A NH1 ASP 429.A OD1 no hydrogen 3.534 N/A ARG 527.A NH1 ASP 429.A OD2 no hydrogen 3.038 N/A ARG 527.A NH2 GLU 341.A OE2 no hydrogen 2.927 N/A SER 529.A N ASP 526.A OD1 no hydrogen 3.184 N/A SER 529.A OG ASP 526.A OD1 no hydrogen 2.625 N/A ALA 530.A N ASP 526.A O no hydrogen 3.057 N/A TYR 531.A N ARG 527.A O no hydrogen 2.989 N/A TYR 531.A OH GLU 337.A OE2 no hydrogen 2.709 N/A TYR 531.A OH GLU 341.A OE1 no hydrogen 2.940 N/A ASN 532.A N SER 529.A O no hydrogen 2.996 N/A TYR 533.A N ALA 530.A O no hydrogen 3.075 N/A TRP 534.A N VAL 559.A O no hydrogen 2.816 N/A GLN 537.A NE2 PRO 545.A O no hydrogen 2.897 N/A GLN 537.A NE2 GLY 546.A O no hydrogen 3.069 N/A GLN 537.A NE2 PHE 547.A O no hydrogen 3.329 N/A LEU 538.A N SER 555.A O no hydrogen 2.769 N/A ALA 539.A N ALA 568.A O no hydrogen 3.305 N/A SER 548.A OG GLN 537.A OE1 no hydrogen 3.113 N/A THR 549.A N PHE 547.A O no hydrogen 2.975 N/A LYS 552.A N THR 549.A OG1 no hydrogen 3.429 N/A VAL 553.A N THR 549.A O no hydrogen 2.823 N/A ALA 554.A N PRO 550.A O no hydrogen 3.086 N/A SER 555.A N GLU 551.A O no hydrogen 2.946 N/A SER 555.A OG LEU 538.A O no hydrogen 3.008 N/A SER 556.A OG LYS 552.A O no hydrogen 3.291 N/A SER 556.A OG VAL 553.A O no hydrogen 2.804 N/A ILE 557.A N PRO 536.A O no hydrogen 3.135 N/A ILE 558.A N ILE 590.A O no hydrogen 3.106 N/A VAL 559.A N TRP 534.A O no hydrogen 2.867 N/A LYS 560.A N GLU 588.A O no hydrogen 2.893 N/A LYS 560.A NZ TYR 533.A OH no hydrogen 3.046 N/A ALA 561.A N ASN 532.A O no hydrogen 2.882 N/A LEU 564.A N ASP 580.A O no hydrogen 3.206 N/A ARG 566.A N THR 578.A O no hydrogen 2.904 N/A ARG 566.A NE ASP 580.A OD1 no hydrogen 2.747 N/A ARG 566.A NH1 ASP 40.A OD1 no hydrogen 2.890 N/A ARG 566.A NH1 GLN 43.A OE1 no hydrogen 2.909 N/A ARG 566.A NH2 ASP 40.A OD1 no hydrogen 2.655 N/A ARG 566.A NH2 ASP 580.A OD1 no hydrogen 3.489 N/A ARG 566.A NH2 ASP 580.A OD2 no hydrogen 2.857 N/A THR 567.A N THR 578.A O no hydrogen 3.179 N/A THR 567.A OG1 THR 578.A OG1 no hydrogen 2.427 N/A TYR 569.A N TYR 576.A O no hydrogen 2.836 N/A LEU 570.A N ALA 539.A O no hydrogen 2.964 N/A LYS 571.A N GLY 574.A O no hydrogen 2.863 N/A GLY 574.A N LYS 571.A O no hydrogen 3.001 N/A LEU 575.A N ASN 598.A O no hydrogen 2.964 N/A TYR 576.A N TYR 569.A O no hydrogen 2.755 N/A LEU 577.A N PHE 600.A O no hydrogen 2.829 N/A THR 578.A N THR 567.A O no hydrogen 3.028 N/A THR 578.A OG1 THR 567.A OG1 no hydrogen 2.427 N/A ALA 579.A N ASN 602.A OD1 no hydrogen 2.850 N/A ASP 580.A N LEU 564.A O no hydrogen 3.006 N/A PHE 581.A N LEU 946.A O no hydrogen 2.751 N/A THR 585.A N VAL 620.A O no hydrogen 3.179 N/A THR 585.A OG1 ALA 583.A O no hydrogen 2.705 N/A VAL 587.A N ALA 618.A O no hydrogen 2.818 N/A GLU 588.A N LYS 560.A O no hydrogen 2.893 N/A VAL 589.A N TRP 616.A O no hydrogen 2.876 N/A ILE 590.A N ILE 558.A O no hydrogen 2.850 N/A ALA 596.A N PRO 593.A O no hydrogen 3.025 N/A LYS 597.A N SER 573.A O no hydrogen 2.789 N/A LYS 597.A NZ SER 594.A O no hydrogen 3.428 N/A ASN 598.A N SER 573.A O no hydrogen 3.031 N/A PHE 600.A N LEU 575.A O no hydrogen 2.875 N/A ILE 601.A N ASP 604.A O no hydrogen 2.979 N/A ASN 602.A N LEU 577.A O no hydrogen 2.935 N/A ASN 602.A ND2 ALA 579.A O no hydrogen 2.840 N/A ASP 604.A N ILE 601.A O no hydrogen 3.058 N/A THR 606.A N LEU 599.A O no hydrogen 2.881 N/A THR 606.A OG1 ASP 604.A O no hydrogen 2.912 N/A THR 609.A N SER 617.A O no hydrogen 2.818 N/A ASP 611.A N ILE 615.A O no hydrogen 3.014 N/A LYS 612.A NZ ILE 486.A O no hydrogen 2.633 N/A ASN 613.A N ASP 611.A OD1 no hydrogen 3.069 N/A ASN 613.A ND2 ILE 486.A O no hydrogen 3.177 N/A GLY 614.A N ASP 611.A O no hydrogen 3.072 N/A ILE 615.A N ASP 611.A OD1 no hydrogen 2.970 N/A TRP 616.A N VAL 589.A O no hydrogen 3.173 N/A SER 617.A N THR 609.A O no hydrogen 2.700 N/A ALA 618.A N VAL 587.A O no hydrogen 2.979 N/A VAL 620.A N THR 585.A O no hydrogen 3.079 N/A TYR 622.A N THR 584.A OG1 no hydrogen 3.098 N/A TYR 622.A OH PRO 944.A O no hydrogen 2.554 N/A SER 631.A OG ASP 634.A OD2 no hydrogen 2.989 N/A ASP 634.A N SER 631.A O no hydrogen 3.234 N/A LEU 635.A N LEU 632.A O no hydrogen 3.305 N/A TRP 637.A N LEU 635.A O no hydrogen 2.912 N/A TRP 637.A NE1 LEU 632.A O no hydrogen 2.712 N/A LYS 638.A N SER 853.A O no hydrogen 2.794 N/A TYR 639.A N LYS 836.A O no hydrogen 2.768 N/A VAL 640.A N PHE 851.A O no hydrogen 2.948 N/A THR 642.A N ILE 849.A O no hydrogen 3.006 N/A THR 642.A OG1 THR 642.A O no hydrogen 2.659 N/A LEU 643.A N ASP 641.A OD1 no hydrogen 2.862 N/A GLU 645.A N GLU 645.A OE1 no hydrogen 2.833 N/A ILE 646.A N LEU 643.A O no hydrogen 3.406 N/A GLN 647.A N PRO 644.A O no hydrogen 3.157 N/A GLN 647.A NE2 ASP 641.A OD2 no hydrogen 3.569 N/A TYR 650.A N GLN 647.A O no hydrogen 3.255 N/A SER 653.A N ASP 651.A OD1 no hydrogen 3.265 N/A SER 653.A OG ASP 651.A OD1 no hydrogen 3.353 N/A TRP 655.A N ASP 652.A O no hydrogen 2.950 N/A TRP 655.A NE1 TYR 650.A OH no hydrogen 3.001 N/A ALA 658.A N TRP 794.A O no hydrogen 2.812 N/A LEU 660.A N TYR 681.A OH no hydrogen 3.062 N/A THR 663.A OG1 ASP 680.A OD1 no hydrogen 3.553 N/A THR 663.A OG1 ASP 680.A OD2 no hydrogen 2.696 N/A LYS 664.A N ASP 680.A OD1 no hydrogen 3.183 N/A ASN 665.A N THR 663.A OG1 no hydrogen 3.121 N/A ASN 665.A ND2 GLN 113.A OE1 no hydrogen 3.672 N/A ASN 665.A ND2 LYS 774.A O no hydrogen 2.711 N/A LEU 667.A N ASN 665.A OD1 no hydrogen 2.859 N/A ARG 668.A N ASN 665.A OD1 no hydrogen 3.420 N/A ARG 668.A NH1 THR 671.A OG1 no hydrogen 3.336 N/A ARG 668.A NH1 TYR 677.A OH no hydrogen 2.711 N/A ARG 668.A NH2 THR 671.A OG1 no hydrogen 2.898 N/A ARG 668.A NH2 LEU 780.A O no hydrogen 3.567 N/A THR 671.A OG1 LEU 780.A O no hydrogen 2.672 N/A THR 671.A OG1 ASN 781.A OD1 no hydrogen 2.720 N/A THR 672.A OG1 THR 674.A O no hydrogen 2.626 N/A THR 674.A OG1 ALA 658.A O no hydrogen 2.690 N/A SER 675.A N LEU 660.A O no hydrogen 2.766 N/A SER 675.A OG ASP 680.A OD2 no hydrogen 2.548 N/A TYR 677.A N SER 675.A OG no hydrogen 3.207 N/A TYR 677.A OH ARG 668.A O no hydrogen 2.805 N/A SER 678.A N ARG 777.A O no hydrogen 2.764 N/A SER 678.A OG PHE 683.A O no hydrogen 2.833 N/A SER 678.A OG ARG 777.A O no hydrogen 3.383 N/A SER 679.A OG GLN 113.A OE1 no hydrogen 3.396 N/A SER 679.A OG HIS 684.A ND1 no hydrogen 2.947 N/A ASP 680.A N TYR 677.A O no hydrogen 3.232 N/A TYR 681.A N SER 678.A O no hydrogen 3.065 N/A TYR 681.A OH SER 675.A O no hydrogen 2.660 N/A GLY 682.A N SER 679.A O no hydrogen 3.335 N/A PHE 683.A N SER 678.A O no hydrogen 3.215 N/A HIS 684.A ND1 SER 679.A OG no hydrogen 2.947 N/A HIS 684.A NE2 GLU 803.A OE2 no hydrogen 2.563 N/A THR 685.A OG1 LEU 813.A O no hydrogen 2.881 N/A LEU 688.A N ILE 757.A O no hydrogen 2.919 N/A LEU 689.A N THR 797.A O no hydrogen 2.892 N/A TYR 690.A N VAL 755.A O no hydrogen 2.863 N/A TYR 690.A OH LEU 676.A O no hydrogen 2.800 N/A ARG 691.A N LYS 795.A O no hydrogen 2.848 N/A ARG 691.A NE ASP 652.A OD2 no hydrogen 2.714 N/A GLY 692.A N ILE 753.A O no hydrogen 2.816 N/A HIS 693.A N SER 793.A O no hydrogen 2.802 N/A HIS 693.A NE2 ASP 652.A OD2 no hydrogen 2.673 N/A PHE 694.A N TYR 751.A O no hydrogen 2.979 N/A ALA 696.A N LYS 749.A O no hydrogen 2.908 N/A THR 697.A N GLU 700.A OE2 no hydrogen 2.897 N/A THR 697.A OG1 GLU 700.A OE1 no hydrogen 3.515 N/A THR 697.A OG1 GLU 700.A OE2 no hydrogen 3.360 N/A GLY 698.A N GLU 700.A OE1 no hydrogen 2.955 N/A ASN 699.A N THR 697.A OG1 no hydrogen 3.196 N/A GLU 700.A N GLU 700.A OE1 no hydrogen 2.798 N/A PHE 703.A N TYR 740.A O no hydrogen 2.924 N/A ALA 704.A N LEU 783.A O no hydrogen 2.946 N/A ILE 705.A N ALA 738.A O no hydrogen 2.928 N/A ASP 706.A N ASN 781.A O no hydrogen 2.748 N/A THR 707.A N TYR 736.A O no hydrogen 3.114 N/A THR 707.A OG1 SER 715.A OG no hydrogen 2.938 N/A GLN 708.A N GLY 778.A O no hydrogen 2.736 N/A GLN 708.A NE2 PRO 776.A O no hydrogen 2.768 N/A GLY 709.A N SER 734.A O no hydrogen 3.237 N/A GLY 710.A N SER 734.A O no hydrogen 3.190 N/A SER 711.A OG PRO 316.A O no hydrogen 3.003 N/A ALA 712.A N LEU 730.A O no hydrogen 3.075 N/A ALA 712.A N ASN 733.A O no hydrogen 3.317 N/A PHE 713.A N GLY 710.A O no hydrogen 3.082 N/A SER 715.A N TRP 727.A O no hydrogen 3.072 N/A SER 715.A OG THR 707.A OG1 no hydrogen 2.938 N/A SER 716.A N VAL 756.A O no hydrogen 2.949 N/A SER 716.A OG SER 726.A OG no hydrogen 2.734 N/A VAL 717.A N GLY 725.A O no hydrogen 2.922 N/A TRP 718.A N THR 754.A O no hydrogen 2.917 N/A LEU 719.A N THR 722.A O no hydrogen 2.773 N/A ASN 720.A N VAL 752.A O no hydrogen 2.887 N/A THR 722.A N LEU 719.A O no hydrogen 2.667 N/A TYR 723.A OH SER 726.A OG no hydrogen 2.438 N/A LEU 724.A N VAL 717.A O no hydrogen 2.893 N/A SER 726.A OG SER 716.A OG no hydrogen 2.734 N/A SER 726.A OG TYR 723.A OH no hydrogen 2.438 N/A TRP 727.A N SER 715.A O no hydrogen 2.831 N/A ASN 733.A N LEU 730.A O no hydrogen 3.028 N/A TYR 736.A N THR 707.A O no hydrogen 2.990 N/A ALA 738.A N ILE 705.A O no hydrogen 2.894 N/A TYR 740.A N PHE 703.A O no hydrogen 2.858 N/A LEU 742.A N SER 701.A O no hydrogen 2.825 N/A GLN 746.A N TYR 751.A OH no hydrogen 2.749 N/A GLY 748.A N ALA 696.A O no hydrogen 2.726 N/A LYS 749.A N GLN 746.A O no hydrogen 3.170 N/A TYR 751.A N PHE 694.A O no hydrogen 2.826 N/A VAL 752.A N ASN 720.A OD1 no hydrogen 2.909 N/A ILE 753.A N GLY 692.A O no hydrogen 2.935 N/A THR 754.A N TRP 718.A O no hydrogen 2.934 N/A VAL 755.A N TYR 690.A O no hydrogen 2.852 N/A VAL 756.A N SER 716.A O no hydrogen 3.006 N/A ILE 757.A N LEU 688.A O no hydrogen 2.885 N/A ASP 758.A N GLY 714.A O no hydrogen 2.883 N/A ASN 759.A ND2 HIS 684.A O no hydrogen 2.943 N/A MET 760.A N GLY 709.A O no hydrogen 2.898 N/A GLY 761.A N ASN 759.A OD1 no hydrogen 3.036 N/A LEU 762.A N SER 104.A OG no hydrogen 2.784 N/A ASN 765.A N TYR 98.A OH no hydrogen 2.813 N/A ASN 765.A ND2 ASN 765.A O no hydrogen 2.997 N/A TRP 766.A NE1 GLU 160.A OE1 no hydrogen 3.079 N/A VAL 768.A N SER 163.A O no hydrogen 2.995 N/A GLU 770.A N THR 767.A O no hydrogen 3.259 N/A MET 773.A N ASN 765.A OD1 no hydrogen 3.138 N/A LYS 774.A N ASP 771.A O no hydrogen 2.860 N/A LYS 774.A NZ VAL 115.A O no hydrogen 2.880 N/A LYS 774.A NZ GLY 117.A O no hydrogen 2.839 N/A LYS 774.A NZ THR 666.A OG1 no hydrogen 2.712 N/A LYS 774.A NZ ASP 771.A OD2 no hydrogen 3.376 N/A THR 775.A N LEU 772.A O no hydrogen 3.022 N/A THR 775.A OG1 LEU 772.A O no hydrogen 2.519 N/A ARG 777.A NE GLY 761.A O no hydrogen 3.266 N/A ARG 777.A NH1 PRO 776.A O no hydrogen 3.124 N/A ARG 777.A NH2 GLY 761.A O no hydrogen 3.004 N/A ARG 777.A NH2 GLU 763.A OE2 no hydrogen 2.861 N/A GLY 778.A N GLN 708.A O no hydrogen 2.859 N/A ILE 779.A N LEU 676.A O no hydrogen 3.356 N/A LEU 780.A N ASP 706.A O no hydrogen 2.784 N/A ASN 781.A ND2 ASP 706.A OD2 no hydrogen 3.560 N/A LEU 783.A N ALA 704.A O no hydrogen 2.966 N/A ALA 785.A N THR 702.A O no hydrogen 3.109 N/A ARG 787.A N LEU 784.A O no hydrogen 2.922 N/A ARG 787.A NH1 THR 695.A O no hydrogen 2.838 N/A ARG 787.A NH1 GLU 700.A OE2 no hydrogen 2.778 N/A ARG 787.A NH2 THR 695.A O no hydrogen 3.355 N/A ALA 791.A N PRO 788.A O no hydrogen 3.067 N/A ILE 792.A N SER 789.A O no hydrogen 3.220 N/A SER 793.A N HIS 693.A O no hydrogen 2.846 N/A LYS 795.A N ARG 691.A O no hydrogen 2.770 N/A LYS 795.A NZ ASP 652.A O no hydrogen 3.325 N/A LYS 795.A NZ ASP 652.A OD1 no hydrogen 3.208 N/A LEU 796.A N PRO 656.A O no hydrogen 3.008 N/A THR 797.A N LEU 689.A O no hydrogen 2.862 N/A THR 797.A OG1 GLY 798.A O no hydrogen 2.902 N/A THR 797.A OG1 TYR 967.A OH no hydrogen 2.708 N/A ASN 799.A ND2 GLY 802.A O no hydrogen 2.927 N/A GLY 802.A N ASN 799.A O no hydrogen 2.961 N/A ASP 804.A N GLY 801.A O no hydrogen 2.928 N/A LYS 808.A N GLU 806.A O no hydrogen 3.259 N/A LYS 808.A NZ TYR 805.A O no hydrogen 2.874 N/A ARG 810.A N ASP 807.A OD1 no hydrogen 2.902 N/A ARG 810.A NE ASN 888.A O no hydrogen 3.284 N/A ARG 810.A NH1 ASP 807.A OD2 no hydrogen 2.710 N/A ARG 810.A NH1 GLN 827.A OE1 no hydrogen 3.010 N/A ARG 810.A NH2 ASN 888.A O no hydrogen 2.830 N/A ARG 810.A NH2 PRO 958.A O no hydrogen 3.120 N/A GLY 811.A N ASP 807.A O no hydrogen 3.028 N/A ASN 814.A ND2 GLY 889.A O no hydrogen 2.732 N/A GLY 817.A N TYR 687.A O no hydrogen 2.890 N/A LEU 818.A N GLU 821.A OE1 no hydrogen 3.254 N/A ALA 820.A N THR 642.A OG1 no hydrogen 2.879 N/A ARG 822.A N LEU 818.A O no hydrogen 2.822 N/A ARG 822.A NH1 GLU 645.A OE2 no hydrogen 3.088 N/A ARG 822.A NH1 GLY 817.A O no hydrogen 2.678 N/A ARG 822.A NH2 GLU 645.A OE2 no hydrogen 3.194 N/A GLN 823.A N TYR 819.A O no hydrogen 3.043 N/A GLY 824.A N GLU 821.A O no hydrogen 3.183 N/A PHE 825.A N ALA 820.A O no hydrogen 2.874 N/A GLN 827.A N GLY 824.A O no hydrogen 3.228 N/A GLN 827.A NE2 GLY 824.A O no hydrogen 3.132 N/A SER 832.A N PRO 830.A O no hydrogen 2.890 N/A GLN 833.A N GLN 833.A OE1 no hydrogen 2.804 N/A TRP 835.A N SER 832.A O no hydrogen 3.155 N/A SER 838.A N TRP 637.A O no hydrogen 3.317 N/A SER 838.A OG GLU 842.A OE1 no hydrogen 3.353 N/A SER 839.A N GLU 842.A OE1 no hydrogen 3.058 N/A LEU 841.A N SER 839.A OG no hydrogen 2.914 N/A GLU 842.A N SER 839.A O no hydrogen 3.008 N/A GLY 843.A N SER 839.A O no hydrogen 3.017 N/A LEU 844.A N GLY 932.A O no hydrogen 2.772 N/A GLY 850.A N LEU 924.A O no hydrogen 2.830 N/A PHE 851.A N VAL 640.A O no hydrogen 2.971 N/A TYR 852.A N VAL 922.A O no hydrogen 2.776 N/A SER 853.A N LYS 638.A O no hydrogen 2.778 N/A ALA 854.A N LEU 920.A O no hydrogen 3.181 N/A PHE 856.A N ASN 918.A O no hydrogen 2.862 N/A LEU 858.A N GLY 916.A O no hydrogen 3.079 N/A LEU 860.A N TYR 914.A O no hydrogen 2.838 N/A LYS 862.A NZ GLU 951.A OE1 no hydrogen 3.294 N/A ASP 865.A N VAL 945.A O no hydrogen 2.781 N/A PHE 869.A N SER 940.A O no hydrogen 2.925 N/A LEU 870.A N PHE 905.A O no hydrogen 2.904 N/A ASN 871.A N GLU 938.A O no hydrogen 2.729 N/A ASN 871.A ND2 GLU 938.A O no hydrogen 3.484 N/A ASN 871.A ND2 SER 940.A OG no hydrogen 2.703 N/A ILE 872.A N THR 903.A O no hydrogen 2.974 N/A GLY 873.A N SER 936.A O no hydrogen 3.136 N/A SER 875.A N GLU 935.A OE2 no hydrogen 3.192 N/A SER 875.A OG GLU 935.A OE1 no hydrogen 2.684 N/A SER 875.A OG GLU 935.A OE2 no hydrogen 3.172 N/A TYR 881.A N SER 897.A OG no hydrogen 2.781 N/A ARG 882.A N TRP 925.A O no hydrogen 2.873 N/A ARG 882.A NH1 ALA 712.A O no hydrogen 2.930 N/A ARG 882.A NH1 ASP 758.A OD2 no hydrogen 2.875 N/A ARG 882.A NH2 ALA 712.A O no hydrogen 2.788 N/A ARG 882.A NH2 THR 728.A O no hydrogen 3.146 N/A VAL 883.A N TYR 895.A O no hydrogen 2.883 N/A GLN 884.A N THR 923.A O no hydrogen 3.267 N/A GLN 884.A N THR 923.A OG1 no hydrogen 3.167 N/A GLN 884.A NE2 GLU 821.A OE2 no hydrogen 2.719 N/A GLN 884.A NE2 THR 923.A OG1 no hydrogen 3.141 N/A VAL 885.A N ALA 893.A O no hydrogen 3.092 N/A TYR 886.A N ALA 921.A O no hydrogen 2.827 N/A TYR 886.A OH GLU 821.A OE2 no hydrogen 2.406 N/A VAL 887.A N TYR 890.A O no hydrogen 2.766 N/A ASN 888.A N TRP 919.A O no hydrogen 2.945 N/A ASN 888.A ND2 ILE 911.A O no hydrogen 2.745 N/A ASN 888.A ND2 ASN 918.A OD1 no hydrogen 3.140 N/A TYR 890.A N VAL 887.A O no hydrogen 3.016 N/A TYR 890.A OH ASP 956.A O no hydrogen 2.685 N/A GLN 891.A N ASN 814.A OD1 no hydrogen 2.996 N/A TYR 892.A N VAL 885.A O no hydrogen 2.922 N/A LYS 894.A N THR 320.A OG1 no hydrogen 2.877 N/A LYS 894.A NZ ASP 758.A OD1 no hydrogen 2.711 N/A LYS 894.A NZ ASN 759.A O no hydrogen 3.344 N/A TYR 895.A N VAL 883.A O no hydrogen 2.781 N/A SER 897.A N TYR 881.A O no hydrogen 2.830 N/A SER 897.A OG SER 879.A O no hydrogen 2.711 N/A SER 897.A OG TYR 881.A O no hydrogen 3.232 N/A SER 897.A OG ASN 898.A OD1 no hydrogen 3.563 N/A ASN 898.A ND2 THR 728.A O no hydrogen 2.971 N/A ILE 899.A N ILE 896.A O no hydrogen 3.233 N/A GLY 900.A N ILE 896.A O no hydrogen 3.131 N/A GLN 902.A NE2 SER 904.A O no hydrogen 3.037 N/A PHE 905.A N LEU 870.A O no hydrogen 2.788 N/A VAL 907.A N LEU 868.A O no hydrogen 3.145 N/A GLY 910.A N LEU 912.A O no hydrogen 2.831 N/A ILE 911.A N PRO 908.A O no hydrogen 3.128 N/A LEU 912.A N PRO 908.A O no hydrogen 2.922 N/A ASN 913.A N ASN 918.A OD1 no hydrogen 2.767 N/A ASN 913.A ND2 THR 917.A O no hydrogen 2.847 N/A ASN 913.A ND2 GLN 957.A OE1 no hydrogen 2.990 N/A TYR 914.A OH VAL 866.A O no hydrogen 2.538 N/A ARG 915.A NH1 LEU 860.A O no hydrogen 2.703 N/A GLY 916.A N LEU 858.A O no hydrogen 3.111 N/A THR 917.A OG1 ASP 857.A OD1 no hydrogen 2.840 N/A ASN 918.A N PHE 856.A O no hydrogen 2.924 N/A ASN 918.A ND2 ASN 913.A O no hydrogen 2.805 N/A TRP 919.A N ASN 888.A OD1 no hydrogen 2.814 N/A LEU 920.A N ALA 854.A O no hydrogen 2.933 N/A ALA 921.A N TYR 886.A O no hydrogen 2.951 N/A VAL 922.A N TYR 852.A O no hydrogen 2.835 N/A THR 923.A N GLN 884.A O no hydrogen 2.993 N/A THR 923.A OG1 GLN 884.A O no hydrogen 3.570 N/A LEU 924.A N GLY 850.A O no hydrogen 2.810 N/A TRP 925.A N ARG 882.A O no hydrogen 2.886 N/A TRP 925.A NE1 SER 716.A OG no hydrogen 2.925 N/A ALA 926.A N GLY 848.A O no hydrogen 2.874 N/A LEU 927.A N PRO 880.A O no hydrogen 3.063 N/A ALA 930.A N ASP 928.A OD1 no hydrogen 2.883 N/A GLY 931.A N ASP 928.A O no hydrogen 3.027 N/A GLY 932.A N LEU 844.A O no hydrogen 2.966 N/A LEU 934.A N PRO 840.A O no hydrogen 3.006 N/A GLU 938.A N ASN 871.A O no hydrogen 3.008 N/A SER 940.A N PHE 869.A O no hydrogen 2.929 N/A THR 942.A N PRO 867.A O no hydrogen 3.295 N/A VAL 945.A N ASP 865.A O no hydrogen 2.912 N/A LEU 946.A N PHE 581.A O no hydrogen 2.770 N/A THR 947.A N GLY 863.A O no hydrogen 3.316 N/A THR 947.A OG1 ASP 580.A OD1 no hydrogen 3.341 N/A THR 947.A OG1 ASP 580.A OD2 no hydrogen 2.741 N/A ALA 948.A N ASP 580.A OD1 no hydrogen 2.986 N/A LEU 949.A N THR 947.A OG1 no hydrogen 3.102 N/A GLU 953.A N GLU 36.A OE2 no hydrogen 3.441 N/A SER 954.A OG ASN 913.A OD1 no hydrogen 2.545 N/A VAL 955.A N GLY 910.A O no hydrogen 2.879 N/A GLN 957.A NE2 GLY 910.A O no hydrogen 3.373 N/A GLN 957.A NE2 ASN 913.A OD1 no hydrogen 2.994 N/A GLN 957.A NE2 VAL 955.A O no hydrogen 3.208 N/A TYR 960.A N PRO 828.A O no hydrogen 2.777 N/A ARG 963.A NH1 GLU 815.A OE2 no hydrogen 2.777 N/A ARG 963.A NH1 ARG 822.A O no hydrogen 2.862 N/A ARG 963.A NH2 GLU 815.A OE1 no hydrogen 3.047 N/A ARG 963.A NH2 GLU 815.A OE2 no hydrogen 3.551 N/A ALA 966.A N ARG 963.A O no hydrogen 3.268 N/A TYR 967.A OH THR 797.A OG1 no hydrogen 2.708 N/A