Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH2 THR 446.A O no hydrogen 2.923 N/A GLN 6.A NE2 GLY 319.A O no hydrogen 2.985 N/A ILE 7.A N THR 452.A O no hydrogen 2.809 N/A VAL 9.A N SER 295.A O no hydrogen 2.943 N/A SER 11.A OG GLN 293.A O no hydrogen 3.163 N/A GLY 15.A N LEU 266.A O no hydrogen 2.823 N/A TRP 16.A N TYR 50.A O no hydrogen 2.855 N/A TRP 16.A NE1 ASN 270.A O no hydrogen 2.912 N/A ALA 17.A N ALA 268.A O no hydrogen 2.835 N/A SER 18.A N ASN 52.A O no hydrogen 3.184 N/A ASN 20.A ND2 MET 239.A O no hydrogen 3.403 N/A ASN 20.A ND2 LEU 240.A O no hydrogen 3.032 N/A SER 21.A OG GLY 269.A O no hydrogen 2.691 N/A PHE 22.A N SER 18.A O no hydrogen 3.244 N/A ALA 23.A N TRP 19.A O no hydrogen 2.847 N/A ALA 24.A N THR 110.A O no hydrogen 3.255 N/A LYS 25.A N PHE 22.A O no hydrogen 2.986 N/A LYS 25.A NZ GLY 111.A O no hydrogen 2.807 N/A ILE 26.A N ALA 24.A O no hydrogen 2.880 N/A TYR 28.A N GLU 74.A O no hydrogen 2.916 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.880 N/A VAL 30.A N ASP 27.A OD1 no hydrogen 2.948 N/A ILE 31.A N ASP 27.A O no hydrogen 3.168 N/A LYS 32.A N TYR 28.A O no hydrogen 2.908 N/A LYS 32.A NZ ASP 36.A OD2 no hydrogen 2.943 N/A LYS 32.A NZ TYR 85.A OH no hydrogen 3.278 N/A LYS 33.A N SER 29.A O no hydrogen 3.097 N/A GLN 34.A N VAL 30.A O no hydrogen 3.262 N/A GLN 34.A NE2 ASP 271.A OD1 no hydrogen 3.016 N/A VAL 35.A N ILE 31.A O no hydrogen 2.868 N/A ASP 36.A N LYS 32.A O no hydrogen 3.000 N/A ALA 37.A N LYS 33.A O no hydrogen 3.105 N/A PHE 38.A N GLN 34.A O no hydrogen 2.923 N/A VAL 39.A N VAL 35.A O no hydrogen 2.958 N/A ALA 40.A N ASP 36.A O no hydrogen 2.804 N/A ALA 41.A N ALA 37.A O no hydrogen 2.851 N/A GLY 42.A N VAL 39.A O no hydrogen 2.967 N/A LEU 43.A N PHE 38.A O no hydrogen 3.198 N/A ALA 46.A N LEU 43.A O no hydrogen 3.051 N/A GLY 47.A N PRO 44.A O no hydrogen 2.994 N/A TYR 48.A N LEU 43.A O no hydrogen 3.280 N/A TYR 48.A OH LEU 283.A O no hydrogen 2.626 N/A THR 49.A N MET 14.A O no hydrogen 3.038 N/A THR 49.A OG1.A GLY 47.A O no hydrogen 2.885 N/A THR 49.A OG1.B MET 14.A O no hydrogen 3.088 N/A TYR 50.A N MET 14.A O no hydrogen 3.101 N/A TYR 50.A OH THR 176.A OG1 no hydrogen 3.010 N/A ILE 51.A N LYS 92.A O no hydrogen 2.697 N/A ASN 52.A N TRP 16.A O no hydrogen 2.826 N/A ILE 53.A N GLY 94.A O no hydrogen 2.833 N/A ASP 54.A N SER 18.A OG no hydrogen 2.972 N/A GLU 55.A N ASP 54.A OD1 no hydrogen 2.656 N/A TRP 57.A NE1 TYR 96.A O no hydrogen 2.787 N/A TRP 58.A NE1 THR 61.A O no hydrogen 2.864 N/A GLN 59.A NE2 GLY 56.A O no hydrogen 3.044 N/A THR 61.A OG1 THR 69.A O no hydrogen 2.726 N/A THR 61.A OG1 THR 69.A OG1 no hydrogen 3.114 N/A ARG 62.A NH1 GLY 66.A O no hydrogen 2.752 N/A ARG 62.A NH1 ASP 127.A OD1 no hydrogen 2.844 N/A ARG 62.A NH2 GLY 119.A O no hydrogen 3.135 N/A ARG 62.A NH2 ASP 127.A OD2 no hydrogen 2.797 N/A ASP 63.A N ASN 67.A O no hydrogen 2.850 N/A ALA 65.A N ASP 63.A OD1 no hydrogen 2.896 N/A GLY 66.A N ASP 63.A O no hydrogen 2.855 N/A ASN 67.A N ASP 63.A OD1 no hydrogen 2.900 N/A ASN 67.A ND2 ASP 63.A OD2 no hydrogen 2.915 N/A THR 69.A N THR 61.A O no hydrogen 3.081 N/A THR 69.A OG1 THR 61.A OG1 no hydrogen 3.114 N/A ALA 73.A N ASP 71.A OD1 no hydrogen 2.989 N/A GLU 74.A N ASP 71.A O no hydrogen 2.928 N/A TRP 75.A N ASP 71.A O no hydrogen 2.918 N/A GLY 78.A N TRP 75.A O no hydrogen 2.884 N/A ALA 81.A N GLY 78.A O no hydrogen 3.112 N/A THR 83.A N MET 79.A O no hydrogen 3.230 N/A THR 83.A OG1 SER 80.A O no hydrogen 3.033 N/A THR 83.A OG1 TRP 134.A O no hydrogen 2.540 N/A ALA 84.A N SER 80.A O no hydrogen 3.059 N/A TYR 85.A N ALA 81.A O no hydrogen 3.165 N/A TYR 85.A OH ASP 36.A OD1 no hydrogen 2.597 N/A TYR 85.A OH ASP 36.A OD2 no hydrogen 3.354 N/A ILE 86.A N ILE 82.A O no hydrogen 3.091 N/A HIS 87.A N THR 83.A O no hydrogen 2.934 N/A HIS 87.A NE2 ASP 137.A OD2 no hydrogen 2.823 N/A SER 88.A N ALA 84.A O no hydrogen 2.885 N/A SER 88.A OG TYR 85.A O no hydrogen 2.636 N/A LYS 89.A N ILE 86.A O no hydrogen 3.053 N/A GLY 90.A N HIS 87.A O no hydrogen 2.951 N/A LEU 91.A N ILE 86.A O no hydrogen 3.288 N/A LYS 92.A N THR 49.A O no hydrogen 2.762 N/A LYS 92.A NZ TYR 50.A OH no hydrogen 3.208 N/A ALA 93.A N ASP 137.A OD2 no hydrogen 2.881 N/A GLY 94.A N ILE 51.A O no hydrogen 2.814 N/A ILE 95.A N PHE 138.A O no hydrogen 2.946 N/A TYR 96.A OH ASP 142.A OD2 no hydrogen 2.739 N/A THR 97.A N LYS 140.A O no hydrogen 3.012 N/A THR 97.A OG1 SER 120.A OG no hydrogen 2.840 N/A ASP 98.A N THR 97.A OG1 no hydrogen 2.748 N/A ALA 99.A N ASP 142.A O no hydrogen 2.883 N/A GLY 100.A N ASP 98.A OD2 no hydrogen 2.903 N/A LYS 101.A N GLU 149.A OE2 no hydrogen 2.828 N/A GLY 103.A N SER 118.A OG no hydrogen 2.955 N/A CYS 104.A SG TYR 96.A OH no hydrogen 3.567 N/A CYS 104.A SG ASP 98.A OD1 no hydrogen 3.889 N/A TYR 106.A N GLY 103.A O no hydrogen 2.869 N/A TYR 107.A N GLY 103.A O no hydrogen 3.024 N/A TYR 108.A N CYS 104.A O no hydrogen 2.748 N/A THR 110.A OG1 TYR 108.A O no hydrogen 2.839 N/A ARG 112.A NE ALA 24.A O no hydrogen 2.716 N/A ARG 112.A NH1 GLU 74.A OE2 no hydrogen 2.815 N/A ARG 112.A NH2 ALA 24.A O no hydrogen 3.526 N/A ARG 112.A NH2 ILE 26.A O no hydrogen 2.726 N/A ARG 112.A NH2 GLU 74.A OE1 no hydrogen 2.896 N/A ARG 112.A NH2 GLU 74.A OE2 no hydrogen 3.527 N/A ALA 115.A N GLY 105.A O no hydrogen 2.916 N/A GLY 117.A N ASP 102.A OD2 no hydrogen 2.704 N/A SER 118.A OG ALA 115.A O no hydrogen 2.648 N/A SER 120.A N ASP 98.A O no hydrogen 2.907 N/A SER 120.A OG THR 97.A OG1 no hydrogen 2.840 N/A SER 120.A OG ASP 127.A OD2 no hydrogen 2.565 N/A GLU 121.A N GLY 100.A O no hydrogen 3.133 N/A HIS 123.A N SER 120.A O no hydrogen 2.765 N/A HIS 123.A ND1 GLN 126.A OE1 no hydrogen 2.804 N/A TYR 124.A OH ALA 99.A O no hydrogen 2.565 N/A GLN 126.A NE2 ALA 65.A O no hydrogen 2.932 N/A GLN 126.A NE2 ASN 67.A OD1 no hydrogen 3.097 N/A ASP 127.A N HIS 123.A O no hydrogen 2.746 N/A MET 128.A N TYR 124.A O no hydrogen 2.970 N/A LEU 129.A N ASP 125.A O no hydrogen 2.921 N/A GLN 130.A N GLN 126.A O no hydrogen 2.948 N/A GLN 130.A NE2 GLN 130.A O no hydrogen 3.137 N/A PHE 131.A N ASP 127.A O no hydrogen 2.932 N/A SER 132.A N MET 128.A O no hydrogen 3.025 N/A SER 132.A OG THR 171.A OG1 no hydrogen 2.568 N/A THR 133.A N LEU 129.A O no hydrogen 2.860 N/A THR 133.A OG1.A LEU 129.A O no hydrogen 2.610 N/A THR 133.A OG1.B LEU 129.A O no hydrogen 2.995 N/A THR 133.A OG1.B GLN 130.A O no hydrogen 2.778 N/A TRP 134.A N GLN 130.A O no hydrogen 2.891 N/A GLY 135.A N PHE 131.A O no hydrogen 3.221 N/A GLY 135.A N SER 132.A O no hydrogen 3.058 N/A PHE 136.A N PHE 131.A O no hydrogen 3.032 N/A ASP 137.A N ALA 93.A O no hydrogen 2.765 N/A VAL 139.A N THR 176.A O no hydrogen 2.847 N/A LYS 140.A N ILE 95.A O no hydrogen 2.836 N/A LYS 140.A NZ ASP 54.A OD2 no hydrogen 2.738 N/A VAL 141.A N SER 178.A O no hydrogen 2.816 N/A ASP 142.A N THR 97.A O no hydrogen 2.822 N/A TRP 143.A N ASP 142.A OD1 no hydrogen 2.617 N/A GLY 145.A N ASP 98.A OD2 no hydrogen 2.775 N/A ASP 147.A N TRP 143.A O no hydrogen 2.704 N/A ALA 148.A N CYS 144.A O no hydrogen 3.009 N/A GLU 149.A N GLY 145.A O no hydrogen 2.961 N/A GLY 150.A N GLY 146.A O no hydrogen 3.091 N/A LEU 151.A N GLY 146.A O no hydrogen 3.049 N/A ALA 153.A N GLN 185.A OE1 no hydrogen 2.778 N/A THR 155.A N ASP 152.A OD2 no hydrogen 2.998 N/A THR 155.A OG1 ASP 152.A O no hydrogen 3.526 N/A THR 155.A OG1 ASP 152.A OD2 no hydrogen 2.734 N/A THR 156.A N ASP 152.A O no hydrogen 3.137 N/A THR 156.A OG1 ASP 152.A O no hydrogen 2.769 N/A TYR 157.A N ALA 153.A O no hydrogen 2.966 N/A TYR 157.A OH VAL 141.A O no hydrogen 2.853 N/A LYS 158.A N ALA 154.A O no hydrogen 3.246 N/A LYS 158.A NZ ASP 162.A OD1 no hydrogen 2.818 N/A SER 159.A N THR 155.A O no hydrogen 3.199 N/A SER 159.A OG.A THR 155.A O no hydrogen 3.142 N/A ILE 160.A N THR 156.A O no hydrogen 3.038 N/A SER 161.A N TYR 157.A O no hydrogen 2.731 N/A SER 161.A OG GLN 194.A O no hydrogen 2.639 N/A ASP 162.A N LYS 158.A O no hydrogen 2.866 N/A ALA 163.A N SER 159.A O no hydrogen 3.073 N/A VAL 164.A N ILE 160.A O no hydrogen 2.869 N/A GLY 165.A N SER 161.A O no hydrogen 2.951 N/A ARG 166.A N ASP 162.A O no hydrogen 3.023 N/A ARG 166.A NE ASP 125.A OD1 no hydrogen 2.747 N/A ARG 166.A NH2 ASP 125.A OD1 no hydrogen 3.292 N/A ARG 166.A NH2 ASP 125.A OD2 no hydrogen 2.981 N/A ALA 167.A N ALA 163.A O no hydrogen 2.917 N/A ALA 168.A N VAL 164.A O no hydrogen 3.042 N/A ALA 169.A N GLY 165.A O no hydrogen 3.044 N/A THR 170.A N ARG 166.A O no hydrogen 2.944 N/A THR 170.A OG1 ARG 166.A O no hydrogen 2.861 N/A THR 171.A N ALA 167.A O no hydrogen 3.111 N/A THR 171.A OG1 SER 132.A OG no hydrogen 2.568 N/A THR 171.A OG1 ALA 167.A O no hydrogen 3.347 N/A GLY 172.A N ALA 168.A O no hydrogen 2.899 N/A ARG 173.A N THR 171.A OG1 no hydrogen 3.077 N/A ARG 173.A NH1 ASP 137.A OD1 no hydrogen 2.910 N/A THR 176.A N ASP 137.A O no hydrogen 2.911 N/A THR 176.A OG1 TYR 50.A OH no hydrogen 3.010 N/A SER 178.A N VAL 139.A O no hydrogen 2.883 N/A ILE 179.A N LEU 197.A O no hydrogen 2.965 N/A CYS 180.A N VAL 141.A O no hydrogen 3.033 N/A ASN 181.A ND2 TYR 184.A O no hydrogen 2.921 N/A TRP 182.A NE1 ASP 142.A OD1 no hydrogen 2.834 N/A TYR 184.A N ASN 181.A O no hydrogen 3.001 N/A GLN 185.A NE2 LEU 151.A O no hydrogen 3.409 N/A ASN 186.A N GLY 183.A O no hydrogen 3.362 N/A ASN 186.A ND2 ASN 504.A O no hydrogen 3.052 N/A ASN 186.A ND2 THR 506.A OG1 no hydrogen 2.993 N/A TRP 188.A NE1 ASN 505.A O no hydrogen 2.881 N/A ASN 189.A N ASN 186.A O no hydrogen 3.012 N/A ASN 189.A ND2 ASN 504.A O no hydrogen 2.880 N/A TRP 190.A N PRO 187.A O no hydrogen 3.052 N/A TRP 190.A NE1 GLN 185.A O no hydrogen 2.895 N/A ALA 191.A N PRO 187.A O no hydrogen 2.907 N/A GLN 194.A N ALA 191.A O no hydrogen 2.850 N/A GLN 194.A NE2 ALA 154.A O no hydrogen 3.131 N/A ALA 195.A N ALA 191.A O no hydrogen 3.090 N/A TRP 198.A N TYR 234.A O no hydrogen 3.285 N/A TRP 198.A NE1 ASN 235.A OD1 no hydrogen 2.930 N/A ARG 199.A N ILE 179.A O no hydrogen 2.850 N/A ARG 199.A NH2 SER 201.A O no hydrogen 2.979 N/A ARG 199.A NH2 ASP 203.A OD1 no hydrogen 2.900 N/A THR 200.A N ASP 236.A O no hydrogen 3.166 N/A THR 200.A OG1 THR 223.A OG1 no hydrogen 2.780 N/A THR 200.A OG1 ASP 236.A O no hydrogen 3.263 N/A SER 201.A OG THR 202.A O no hydrogen 3.062 N/A ASP 203.A N TYR 206.A OH no hydrogen 3.338 N/A ILE 204.A N ASP 238.A OD2 no hydrogen 2.952 N/A ASN 209.A N TYR 206.A O no hydrogen 2.858 N/A SER 215.A N SER 212.A OG no hydrogen 3.291 N/A SER 215.A OG ILE 204.A O no hydrogen 2.580 N/A LEU 216.A N SER 212.A O no hydrogen 3.017 N/A LEU 217.A N MET 213.A O no hydrogen 2.878 N/A SER 218.A N THR 214.A O no hydrogen 2.991 N/A ASN 219.A N SER 215.A O no hydrogen 2.969 N/A ASN 219.A ND2 THR 202.A O no hydrogen 3.295 N/A ASN 219.A ND2 PRO 237.A O no hydrogen 2.992 N/A PHE 220.A N LEU 216.A O no hydrogen 2.908 N/A ASP 221.A N LEU 217.A O no hydrogen 2.900 N/A GLN 222.A N SER 218.A O no hydrogen 3.057 N/A GLN 222.A NE2 SER 218.A O no hydrogen 3.277 N/A GLN 222.A NE2 SER 218.A OG no hydrogen 2.914 N/A THR 223.A N PHE 220.A O no hydrogen 3.156 N/A THR 223.A OG1 THR 200.A OG1 no hydrogen 2.780 N/A LEU 224.A N ASP 221.A O no hydrogen 3.508 N/A HIS 225.A N GLN 299.A OE1 no hydrogen 2.901 N/A HIS 225.A NE2 GLN 222.A O no hydrogen 2.730 N/A ALA 228.A N HIS 225.A O no hydrogen 3.060 N/A GLN 229.A NE2 SER 262.A O no hydrogen 2.871 N/A GLN 229.A NE2 GLY 297.A O no hydrogen 3.583 N/A HIS 230.A N TYR 233.A O no hydrogen 3.120 N/A HIS 230.A NE2 THR 440.A O no hydrogen 2.650 N/A TYR 233.A N HIS 230.A O no hydrogen 2.983 N/A TYR 234.A N PRO 196.A O no hydrogen 2.752 N/A TYR 234.A OH PRO 10.A O no hydrogen 2.751 N/A ASN 235.A N GLN 229.A OE1 no hydrogen 3.336 N/A ASN 235.A ND2 HIS 225.A O no hydrogen 3.094 N/A ASN 235.A ND2 GLN 229.A OE1 no hydrogen 3.594 N/A ASP 236.A N TRP 198.A O no hydrogen 2.912 N/A ASP 238.A N ASP 236.A OD1 no hydrogen 2.880 N/A MET 239.A N ASP 238.A OD1 no hydrogen 2.759 N/A LEU 240.A N LEU 267.A O no hydrogen 2.864 N/A MET 241.A N HIS 255.A NE2 no hydrogen 2.974 N/A GLY 243.A N ASN 252.A OD1 no hydrogen 3.008 N/A MET 244.A N MET 241.A O no hydrogen 2.972 N/A PHE 247.A N MET 244.A O no hydrogen 3.193 N/A THR 248.A N GLN 251.A OE1 no hydrogen 2.985 N/A GLN 251.A N THR 248.A OG1 no hydrogen 3.109 N/A ASN 252.A N THR 248.A O no hydrogen 2.878 N/A ARG 253.A N ALA 249.A O no hydrogen 2.920 N/A THR 254.A N ALA 250.A O no hydrogen 2.975 N/A THR 254.A OG1 ALA 250.A O no hydrogen 3.143 N/A THR 254.A OG1 SER 378.A OG no hydrogen 2.732 N/A HIS 255.A N GLN 251.A O no hydrogen 2.860 N/A MET 256.A N ASN 252.A O no hydrogen 3.029 N/A ASN 257.A N ARG 253.A O no hydrogen 2.774 N/A ASN 257.A ND2 SER 378.A OG no hydrogen 2.903 N/A LEU 258.A N THR 254.A O no hydrogen 3.055 N/A TRP 259.A N HIS 255.A O no hydrogen 3.177 N/A TRP 259.A NE1 ASP 238.A O no hydrogen 2.884 N/A ALA 260.A N MET 256.A O no hydrogen 2.816 N/A ILE 261.A N ASN 257.A O no hydrogen 2.847 N/A SER 262.A N LEU 258.A O no hydrogen 3.190 N/A GLY 263.A N ALA 260.A O no hydrogen 3.032 N/A ALA 264.A N TRP 259.A O no hydrogen 2.854 N/A LEU 266.A N PRO 13.A O no hydrogen 2.913 N/A ALA 268.A N GLY 15.A O no hydrogen 2.793 N/A LEU 272.A N GLN 34.A OE1 no hydrogen 2.802 N/A THR 273.A N ASP 271.A OD1 no hydrogen 3.056 N/A THR 273.A OG1 ASP 271.A OD1 no hydrogen 2.635 N/A THR 274.A N ASP 271.A O no hydrogen 3.396 N/A MET 275.A N LEU 272.A O no hydrogen 3.453 N/A THR 276.A OG1 THR 279.A OG1 no hydrogen 2.974 N/A THR 279.A N THR 276.A OG1 no hydrogen 2.992 N/A THR 279.A OG1 THR 276.A OG1 no hydrogen 2.974 N/A ALA 280.A N THR 276.A O no hydrogen 3.050 N/A GLY 281.A N SER 277.A O no hydrogen 3.078 N/A ILE 282.A N GLU 278.A O no hydrogen 2.970 N/A LEU 283.A N THR 279.A O no hydrogen 2.960 N/A LYS 284.A N ALA 280.A O no hydrogen 3.024 N/A LYS 284.A NZ ALA 41.A O no hydrogen 2.573 N/A ASN 285.A N ILE 282.A O no hydrogen 3.502 N/A ASN 285.A ND2 LEU 356.A O no hydrogen 2.867 N/A GLU 287.A N ASN 285.A OD1 no hydrogen 2.878 N/A VAL 288.A N ASN 285.A OD1 no hydrogen 3.083 N/A ILE 289.A N ASN 285.A O no hydrogen 2.942 N/A ALA 290.A N PRO 286.A O no hydrogen 2.889 N/A VAL 291.A N GLU 287.A O no hydrogen 3.157 N/A ASP 292.A N VAL 288.A O no hydrogen 3.012 N/A GLN 293.A N ILE 289.A O no hydrogen 2.812 N/A GLN 293.A NE2 ALA 12.A O no hydrogen 2.891 N/A GLN 293.A NE2 ASP 292.A OD2 no hydrogen 2.859 N/A ASP 294.A N VAL 291.A O no hydrogen 3.250 N/A ARG 296.A N ASP 294.A OD2 no hydrogen 2.882 N/A ARG 296.A NE SER 454.A OG no hydrogen 2.932 N/A ARG 296.A NH1 LEU 317.A O no hydrogen 3.051 N/A ARG 296.A NH2 ASP 416.A OD1 no hydrogen 2.794 N/A GLY 297.A N ASP 294.A O no hydrogen 3.215 N/A GLN 299.A NE2 THR 223.A O no hydrogen 2.845 N/A GLN 299.A NE2 SER 262.A OG no hydrogen 2.923 N/A GLY 300.A N ILE 261.A O no hydrogen 2.879 N/A VAL 301.A N GLY 314.A O no hydrogen 2.841 N/A LYS 302.A NZ GLU 305.A OE1 no hydrogen 2.733 N/A LYS 302.A NZ GLY 538.A O no hydrogen 2.915 N/A VAL 303.A N ALA 312.A O no hydrogen 2.841 N/A ALA 304.A N ALA 312.A O no hydrogen 3.292 N/A GLY 309.A N GLU 305.A OE2 no hydrogen 2.763 N/A LEU 310.A N THR 307.A O no hydrogen 2.943 N/A GLN 311.A N LEU 328.A O no hydrogen 2.888 N/A GLN 311.A NE2 GLU 305.A OE1 no hydrogen 2.958 N/A ALA 312.A N ALA 304.A O no hydrogen 2.981 N/A TYR 313.A N VAL 326.A O no hydrogen 2.795 N/A TYR 313.A OH GLN 311.A OE1 no hydrogen 3.181 N/A GLY 314.A N VAL 301.A O no hydrogen 2.825 N/A LYS 315.A N ALA 324.A O no hydrogen 2.830 N/A LYS 315.A NZ ALA 260.A O no hydrogen 2.939 N/A LYS 315.A NZ VAL 291.A O no hydrogen 2.784 N/A LEU 317.A N ASN 322.A O no hydrogen 3.195 N/A SER 318.A N ASP 294.A OD1 no hydrogen 3.036 N/A SER 318.A OG ASP 294.A OD1 no hydrogen 3.076 N/A GLY 319.A N GLN 6.A OE1 no hydrogen 2.782 N/A GLY 321.A N GLU 388.A OE2 no hydrogen 2.595 N/A ASN 322.A ND2 SER 318.A O no hydrogen 2.885 N/A ARG 323.A N VAL 383.A O no hydrogen 2.757 N/A ARG 323.A NE LEU 344.A O no hydrogen 2.750 N/A ARG 323.A NH1 ASN 322.A O no hydrogen 3.034 N/A ARG 323.A NH1 GLU 388.A OE2 no hydrogen 2.836 N/A ARG 323.A NH2 LEU 344.A O no hydrogen 3.041 N/A ARG 323.A NH2 GLU 388.A OE1 no hydrogen 2.715 N/A ARG 323.A NH2 GLU 388.A OE2 no hydrogen 3.543 N/A ALA 324.A N LYS 315.A O no hydrogen 2.928 N/A VAL 325.A N LEU 381.A O no hydrogen 2.863 N/A VAL 326.A N TYR 313.A O no hydrogen 2.893 N/A LEU 327.A N VAL 379.A O no hydrogen 2.872 N/A LEU 328.A N GLN 311.A O no hydrogen 2.888 N/A ASN 329.A N GLY 377.A O no hydrogen 3.019 N/A ASN 329.A ND2 ALA 333.A O no hydrogen 2.919 N/A ASN 329.A ND2 VAL 373.A O no hydrogen 2.993 N/A ARG 330.A N GLY 309.A O no hydrogen 2.709 N/A ARG 330.A NE GLN 311.A OE1 no hydrogen 2.711 N/A ARG 330.A NH1 ASP 221.A OD2 no hydrogen 2.893 N/A ARG 330.A NH2 ASP 221.A OD1 no hydrogen 2.830 N/A ARG 330.A NH2 GLN 311.A OE1 no hydrogen 3.314 N/A ARG 330.A NH2 TYR 313.A OH no hydrogen 2.916 N/A THR 331.A N ASN 329.A OD1 no hydrogen 2.831 N/A THR 331.A OG1 ASN 329.A OD1 no hydrogen 2.569 N/A ALA 333.A N THR 331.A OG1 no hydrogen 3.334 N/A HIS 335.A N VAL 373.A O no hydrogen 3.018 N/A ILE 337.A N ALA 371.A O no hydrogen 2.900 N/A THR 338.A OG1 THR 370.A OG1 no hydrogen 2.607 N/A VAL 339.A N TYR 369.A O no hydrogen 2.829 N/A ARG 340.A NE ASP 343.A OD2 no hydrogen 2.823 N/A ARG 340.A NH1 ASP 306.A OD2 no hydrogen 2.747 N/A ARG 340.A NH2 ASP 306.A OD1 no hydrogen 3.185 N/A ARG 340.A NH2 ASP 306.A OD2 no hydrogen 3.184 N/A ARG 340.A NH2 ASP 343.A OD2 no hydrogen 2.893 N/A TRP 341.A N THR 367.A O no hydrogen 2.844 N/A TRP 341.A NE1 SER 365.A O no hydrogen 2.796 N/A ASP 343.A N ARG 340.A O no hydrogen 3.193 N/A LEU 344.A N TRP 341.A O no hydrogen 3.018 N/A GLY 345.A N SER 342.A O no hydrogen 3.213 N/A LEU 346.A N TRP 341.A O no hydrogen 3.037 N/A THR 347.A N THR 387.A O no hydrogen 2.834 N/A ALA 349.A N THR 347.A O no hydrogen 2.802 N/A ALA 351.A N SER 365.A O no hydrogen 2.864 N/A THR 352.A N THR 384.A O no hydrogen 2.907 N/A VAL 353.A N GLY 363.A O no hydrogen 2.829 N/A ARG 354.A N THR 382.A O no hydrogen 2.980 N/A ARG 354.A NE GLU 287.A OE1 no hydrogen 2.697 N/A ARG 354.A NH1 ASN 361.A OD1 no hydrogen 3.087 N/A ARG 354.A NH2 GLU 287.A OE2 no hydrogen 2.891 N/A ASP 355.A N GLN 360.A O no hydrogen 2.989 N/A LEU 356.A N MET 380.A O no hydrogen 2.931 N/A TRP 357.A N ASP 355.A OD1 no hydrogen 2.943 N/A TRP 357.A NE1 ASN 257.A OD1 no hydrogen 2.675 N/A ALA 358.A N ASP 355.A OD1 no hydrogen 3.013 N/A ARG 359.A NE GLU 287.A OE2 no hydrogen 3.071 N/A GLN 360.A N ASP 355.A O no hydrogen 3.261 N/A VAL 362.A N VAL 353.A O no hydrogen 2.835 N/A SER 365.A N ALA 351.A O no hydrogen 3.060 N/A SER 365.A OG GLY 368.A O no hydrogen 3.047 N/A THR 367.A N SER 365.A OG no hydrogen 2.894 N/A GLY 368.A N SER 365.A OG no hydrogen 3.029 N/A TYR 369.A N VAL 339.A O no hydrogen 2.975 N/A THR 370.A OG1 THR 338.A OG1 no hydrogen 2.607 N/A ALA 371.A N ILE 337.A O no hydrogen 3.047 N/A VAL 373.A N HIS 335.A O no hydrogen 2.851 N/A GLY 377.A N PRO 374.A O no hydrogen 2.814 N/A SER 378.A OG THR 254.A OG1 no hydrogen 2.732 N/A VAL 379.A N LEU 327.A O no hydrogen 2.857 N/A LEU 381.A N VAL 325.A O no hydrogen 2.779 N/A THR 382.A N ARG 354.A O no hydrogen 2.899 N/A VAL 383.A N ARG 323.A O no hydrogen 2.788 N/A THR 384.A N THR 352.A O no hydrogen 3.004 N/A GLY 386.A N GLY 321.A O no hydrogen 2.962 N/A ALA 389.A N GLY 345.A O no hydrogen 2.986 N/A GLY 392.A N VAL 480.A O no hydrogen 2.830 N/A TYR 394.A N ILE 478.A O no hydrogen 2.905 N/A THR 397.A N ARG 401.A O no hydrogen 2.921 N/A THR 397.A OG1 THR 403.A OG1 no hydrogen 2.685 N/A SER 398.A N ARG 401.A O no hydrogen 3.525 N/A ARG 401.A N SER 398.A O no hydrogen 3.030 N/A TYR 402.A N LEU 467.A O no hydrogen 2.843 N/A TYR 402.A OH THR 475.A OG1 no hydrogen 2.626 N/A THR 403.A OG1 THR 397.A OG1 no hydrogen 2.685 N/A VAL 405.A N ASN 465.A O no hydrogen 3.008 N/A THR 406.A N TYR 394.A OH no hydrogen 2.910 N/A THR 406.A OG1 GLY 404.A O no hydrogen 3.423 N/A THR 406.A OG1 SER 463.A OG.A no hydrogen 3.013 N/A ALA 407.A N GLY 462.A O no hydrogen 2.899 N/A SER 409.A OG THR 410.A O no hydrogen 3.005 N/A SER 409.A OG GLY 488.A O no hydrogen 3.284 N/A GLY 411.A N LEU 459.A O no hydrogen 2.976 N/A LEU 412.A N THR 486.A OG1 no hydrogen 2.934 N/A ASN 413.A N VAL 457.A O no hydrogen 2.718 N/A ASN 413.A ND2 GLY 411.A O no hydrogen 3.055 N/A VAL 414.A N ARG 481.A O no hydrogen 2.747 N/A VAL 415.A N VAL 455.A O no hydrogen 2.831 N/A ASP 416.A N THR 479.A O no hydrogen 2.874 N/A VAL 417.A N VAL 453.A O no hydrogen 2.801 N/A ALA 418.A N GLY 477.A O no hydrogen 2.896 N/A TYR 419.A N GLY 451.A O no hydrogen 2.920 N/A TYR 419.A OH PRO 444.A O no hydrogen 2.696 N/A THR 420.A OG1 GLU 476.A OE2 no hydrogen 2.592 N/A ASN 421.A N THR 446.A OG1 no hydrogen 2.791 N/A ASN 421.A ND2 SER 425.A O no hydrogen 2.919 N/A ASN 421.A ND2 PHE 443.A O no hydrogen 3.039 N/A THR 423.A OG1 ASN 421.A OD1 no hydrogen 2.706 N/A ARG 427.A N PHE 443.A O no hydrogen 3.036 N/A ALA 429.A N VAL 441.A O no hydrogen 2.909 N/A THR 430.A N SER 470.A O no hydrogen 2.808 N/A LEU 431.A N THR 439.A O no hydrogen 2.732 N/A GLN 432.A N ALA 468.A O no hydrogen 2.880 N/A GLN 432.A NE2 GLN 436.A O no hydrogen 2.813 N/A ASN 434.A N THR 466.A O no hydrogen 2.875 N/A ASN 434.A ND2 ASN 465.A OD1 no hydrogen 2.894 N/A ASN 434.A ND2 ASN 519.A O no hydrogen 2.939 N/A GLN 436.A N VAL 433.A O no hydrogen 2.859 N/A GLN 436.A NE2 SER 458.A O no hydrogen 2.828 N/A GLN 436.A NE2 ASN 519.A O no hydrogen 2.917 N/A THR 439.A N LEU 431.A O no hydrogen 2.859 N/A THR 440.A OG1 ALA 192.A O no hydrogen 3.535 N/A VAL 441.A N ALA 429.A O no hydrogen 2.925 N/A SER 442.A N THR 231.A OG1 no hydrogen 2.957 N/A PHE 443.A N ARG 427.A O no hydrogen 2.666 N/A THR 446.A N ASN 421.A O no hydrogen 2.886 N/A THR 446.A OG1 GLY 447.A O no hydrogen 2.780 N/A THR 446.A OG1 SER 449.A O no hydrogen 3.409 N/A GLY 451.A N TYR 419.A O no hydrogen 2.885 N/A THR 452.A N ARG 5.A O no hydrogen 2.877 N/A VAL 453.A N VAL 417.A O no hydrogen 3.178 N/A SER 454.A OG ASP 416.A OD1 no hydrogen 2.587 N/A VAL 455.A N VAL 415.A O no hydrogen 2.887 N/A VAL 457.A N ASN 413.A O no hydrogen 2.876 N/A SER 458.A OG GLY 520.A O no hydrogen 2.720 N/A LEU 459.A N GLY 411.A O no hydrogen 2.967 N/A SER 460.A N ASN 465.A OD1 no hydrogen 2.962 N/A LYS 461.A N THR 410.A OG1 no hydrogen 2.964 N/A LYS 461.A NZ THR 614.A O no hydrogen 3.122 N/A GLY 462.A N ALA 407.A O no hydrogen 2.985 N/A SER 463.A OG.A THR 406.A OG1 no hydrogen 3.013 N/A ASN 465.A N VAL 405.A O no hydrogen 3.343 N/A ASN 465.A ND2 VAL 405.A O no hydrogen 2.988 N/A ASN 465.A ND2 SER 460.A O no hydrogen 2.781 N/A THR 466.A N ASN 434.A OD1 no hydrogen 2.867 N/A THR 466.A OG1.B ASN 434.A OD1 no hydrogen 3.486 N/A LEU 467.A N TYR 402.A O no hydrogen 2.964 N/A ALA 468.A N GLN 432.A O no hydrogen 2.911 N/A LEU 469.A N GLY 400.A O no hydrogen 2.675 N/A SER 470.A N THR 430.A O no hydrogen 2.900 N/A THR 475.A OG1 TYR 402.A OH no hydrogen 2.626 N/A GLU 476.A N ALA 418.A O no hydrogen 2.676 N/A GLY 477.A N TYR 402.A OH no hydrogen 2.982 N/A ILE 478.A N TYR 394.A O no hydrogen 3.092 N/A THR 479.A N ASP 416.A O no hydrogen 2.941 N/A VAL 480.A N GLY 392.A O no hydrogen 2.845 N/A ARG 481.A N VAL 414.A O no hydrogen 2.930 N/A ARG 481.A NE ALA 389.A O no hydrogen 3.015 N/A LEU 483.A N LEU 412.A O no hydrogen 2.915 N/A GLY 485.A N ASP 343.A O no hydrogen 2.929 N/A THR 486.A N LEU 483.A O no hydrogen 2.923 N/A THR 486.A OG1 LEU 483.A O no hydrogen 2.678 N/A ASN 487.A N PRO 484.A O no hydrogen 2.933 N/A GLY 488.A N THR 410.A O no hydrogen 2.919 N/A ALA 489.A N TRP 526.A O no hydrogen 2.750 N/A THR 492.A N THR 612.A O no hydrogen 2.966 N/A GLY 493.A N ARG 498.A O no hydrogen 2.807 N/A LYS 494.A N LYS 610.A O no hydrogen 2.802 N/A LYS 494.A NZ ASP 607.A OD2 no hydrogen 3.451 N/A GLN 495.A N ASP 607.A O no hydrogen 3.324 N/A GLN 495.A NE2.B ALA 590.A O no hydrogen 3.170 N/A GLY 497.A N GLY 493.A O no hydrogen 2.881 N/A ARG 498.A N SER 496.A OG no hydrogen 2.955 N/A ARG 498.A NE ASP 517.A OD1 no hydrogen 2.864 N/A ARG 498.A NE ASN 594.A OD1 no hydrogen 2.973 N/A ARG 498.A NH1 THR 592.A O no hydrogen 2.891 N/A ARG 498.A NH2 ASP 517.A OD1 no hydrogen 2.969 N/A CYS 499.A N TRP 516.A O no hydrogen 2.775 N/A CYS 499.A SG THR 492.A OG1 no hydrogen 3.566 N/A ALA 500.A N VAL 491.A O no hydrogen 2.853 N/A ASP 501.A N GLU 514.A O no hydrogen 2.860 N/A ILE 502.A N ASN 523.A O no hydrogen 3.098 N/A ASN 505.A ND2 ASN 189.A OD1 no hydrogen 3.109 N/A THR 506.A N TYR 503.A O no hydrogen 3.091 N/A THR 506.A OG1 TYR 503.A O no hydrogen 2.739 N/A ASN 509.A ND2 ASP 559.A OD2 no hydrogen 2.776 N/A GLY 510.A N ILE 557.A O no hydrogen 2.817 N/A THR 511.A N THR 508.A O no hydrogen 3.200 N/A THR 511.A OG1 THR 508.A O no hydrogen 2.608 N/A GLN 512.A NE2 LEU 598.A O no hydrogen 2.954 N/A ALA 513.A N VAL 555.A O no hydrogen 2.921 N/A GLU 514.A N ASP 501.A O no hydrogen 2.998 N/A LEU 515.A N THR 596.A O no hydrogen 2.815 N/A TRP 516.A N CYS 499.A O no hydrogen 2.872 N/A ASP 517.A N ASN 594.A OD1 no hydrogen 2.826 N/A CYS 518.A SG GLY 497.A O no hydrogen 3.674 N/A ASN 519.A N GLN 524.A OE1 no hydrogen 2.732 N/A GLY 520.A N GLN 524.A OE1 no hydrogen 3.134 N/A GLY 521.A N ASN 519.A OD1 no hydrogen 2.904 N/A ASN 523.A ND2 ILE 502.A O no hydrogen 2.927 N/A GLN 524.A N GLY 521.A O no hydrogen 2.981 N/A GLN 524.A NE2 ASP 501.A OD2 no hydrogen 2.766 N/A GLN 524.A NE2 ASP 517.A O no hydrogen 3.018 N/A SER 525.A N PRO 522.A O no hydrogen 3.503 N/A TRP 526.A N ALA 489.A O no hydrogen 2.881 N/A TRP 526.A NE1 ALA 500.A O no hydrogen 3.113 N/A THR 527.A N VAL 535.A O no hydrogen 2.966 N/A THR 527.A OG1 ASN 487.A O no hydrogen 2.749 N/A TYR 528.A OH TRP 568.A O no hydrogen 2.555 N/A THR 529.A N GLU 533.A O no hydrogen 2.965 N/A THR 529.A OG1 GLU 533.A OE1 no hydrogen 2.795 N/A ARG 531.A N THR 529.A OG1 no hydrogen 3.135 N/A ARG 531.A NE GLU 533.A OE1 no hydrogen 2.869 N/A ARG 531.A NH1 GLU 305.A O no hydrogen 3.227 N/A ARG 531.A NH1 ASP 306.A O no hydrogen 2.886 N/A ARG 531.A NH2 GLU 305.A O no hydrogen 2.857 N/A LYS 532.A N THR 529.A O no hydrogen 2.883 N/A LYS 532.A NZ ASN 569.A OD1 no hydrogen 2.918 N/A GLU 533.A N THR 529.A OG1 no hydrogen 3.276 N/A VAL 535.A N THR 527.A O no hydrogen 2.849 N/A LEU 536.A N LYS 540.A O no hydrogen 2.723 N/A TYR 537.A OH THR 506.A O no hydrogen 2.796 N/A ASN 539.A N LEU 536.A O no hydrogen 3.084 N/A ASN 539.A ND2 ASP 221.A O no hydrogen 3.180 N/A LYS 540.A N LEU 536.A O no hydrogen 2.907 N/A LYS 540.A NZ ILE 507.A O no hydrogen 3.141 N/A LYS 540.A NZ ASN 509.A OD1 no hydrogen 2.914 N/A LYS 540.A NZ ASP 559.A OD1 no hydrogen 2.779 N/A CYS 541.A N TRP 558.A O no hydrogen 2.658 N/A CYS 541.A SG GLU 533.A OE2 no hydrogen 3.690 N/A LEU 542.A N LEU 534.A O no hydrogen 2.881 N/A ASP 543.A N VAL 556.A O no hydrogen 2.798 N/A ALA 544.A N ASN 565.A O no hydrogen 3.033 N/A TYR 545.A N LYS 554.A O no hydrogen 2.865 N/A LEU 547.A N ALA 544.A O no hydrogen 3.011 N/A GLY 548.A N TYR 545.A O no hydrogen 3.108 N/A GLY 552.A N LEU 600.A O no hydrogen 2.905 N/A THR 553.A N THR 550.A O no hydrogen 3.090 N/A THR 553.A OG1 THR 550.A O no hydrogen 2.759 N/A LYS 554.A NZ GLN 512.A OE1 no hydrogen 3.365 N/A VAL 555.A N LEU 598.A O no hydrogen 3.272 N/A VAL 556.A N ASP 543.A O no hydrogen 2.802 N/A ILE 557.A N THR 511.A O no hydrogen 3.044 N/A TRP 558.A N CYS 541.A O no hydrogen 3.000 N/A ASP 559.A N ASN 509.A OD1 no hydrogen 2.976 N/A ASN 561.A N GLN 566.A OE1 no hydrogen 2.826 N/A GLN 563.A N ASN 561.A OD1 no hydrogen 3.021 N/A GLN 563.A NE2 ASN 565.A OD1 no hydrogen 2.993 N/A ASN 565.A ND2 ALA 544.A O no hydrogen 2.902 N/A GLN 566.A N GLN 563.A O no hydrogen 3.055 N/A GLN 566.A NE2 ASP 543.A OD2 no hydrogen 2.735 N/A GLN 566.A NE2 ASP 559.A O no hydrogen 3.012 N/A LYS 567.A N ALA 564.A O no hydrogen 3.204 N/A LYS 567.A NZ ARG 531.A O no hydrogen 2.915 N/A TRP 568.A N LYS 532.A O no hydrogen 2.758 N/A TRP 568.A NE1 LEU 542.A O no hydrogen 2.929 N/A ASN 569.A N THR 577.A O no hydrogen 2.808 N/A ASN 571.A N THR 575.A O no hydrogen 2.950 N/A ASN 571.A ND2 THR 575.A OG1 no hydrogen 3.022 N/A ASN 571.A ND2 THR 577.A OG1 no hydrogen 3.006 N/A GLY 574.A N ASN 571.A O no hydrogen 3.111 N/A THR 575.A N ASP 573.A OD1 no hydrogen 3.027 N/A THR 575.A OG1 ASP 573.A OD1 no hydrogen 2.720 N/A THR 577.A N ASN 569.A O no hydrogen 2.945 N/A ASN 578.A N LEU 583.A O no hydrogen 2.865 N/A ASN 578.A ND2 ASN 565.A O no hydrogen 2.928 N/A VAL 579.A N LYS 567.A O no hydrogen 2.893 N/A ASN 580.A N ALA 564.A O no hydrogen 3.191 N/A GLY 582.A N ASN 578.A O no hydrogen 2.645 N/A CYS 584.A N TRP 601.A O no hydrogen 2.769 N/A LEU 585.A N ILE 576.A O no hydrogen 2.850 N/A ASP 586.A N VAL 599.A O no hydrogen 2.841 N/A ALA 587.A N ASN 608.A O no hydrogen 2.941 N/A TYR 588.A N SER 597.A O no hydrogen 2.974 N/A ALA 590.A N ALA 587.A O no hydrogen 3.031 N/A ALA 591.A N TYR 588.A O no hydrogen 3.329 N/A ASN 594.A ND2 ASP 517.A OD2 no hydrogen 2.940 N/A GLY 595.A N LEU 515.A O no hydrogen 2.903 N/A THR 596.A N ALA 593.A O no hydrogen 3.194 N/A THR 596.A OG1 ALA 593.A O no hydrogen 2.672 N/A LEU 598.A N ALA 513.A O no hydrogen 2.963 N/A VAL 599.A N ASP 586.A O no hydrogen 2.904 N/A LEU 600.A N THR 553.A O no hydrogen 2.840 N/A TRP 601.A N CYS 584.A O no hydrogen 2.928 N/A SER 602.A N ASN 551.A OD1 no hydrogen 2.810 N/A CYS 603.A SG GLY 582.A O no hydrogen 3.897 N/A GLY 604.A N.A GLN 609.A OE1 no hydrogen 2.743 N/A GLY 604.A N.B GLN 609.A OE1 no hydrogen 2.791 N/A THR 605.A N.B GLN 609.A OE1 no hydrogen 2.949 N/A THR 605.A OG1.A GLY 604.A O.B no hydrogen 3.516 N/A ASN 608.A ND2 ALA 587.A O no hydrogen 2.917 N/A GLN 609.A N GLY 606.A O.A no hydrogen 3.311 N/A GLN 609.A N GLY 606.A O.B no hydrogen 2.796 N/A GLN 609.A NE2 ASP 586.A OD2 no hydrogen 2.862 N/A GLN 609.A NE2 SER 602.A O no hydrogen 2.914 N/A LYS 610.A N ASP 607.A O no hydrogen 3.151 N/A LYS 610.A NZ ASP 573.A O no hydrogen 3.249 N/A TRP 611.A N GLY 574.A O no hydrogen 2.781 N/A TRP 611.A NE1 LEU 585.A O no hydrogen 3.063 N/A THR 612.A N THR 492.A O no hydrogen 2.937 N/A