Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bba_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ALA 544.A O no hydrogen 2.862 N/A ARG 1.A NH2 ALA 544.A O no hydrogen 3.444 N/A VAL 5.A N PHE 2.A O no hydrogen 3.060 N/A THR 8.A N GLU 7.A OE2 no hydrogen 2.951 N/A THR 8.A OG1 GLN 519.A O no hydrogen 2.765 N/A LYS 13.A N GLU 10.A O no hydrogen 2.971 N/A SER 17.A N TRP 14.A O no hydrogen 3.105 N/A SER 17.A OG TRP 14.A O no hydrogen 2.663 N/A TYR 19.A OH GLN 514.A OE1 no hydrogen 3.285 N/A GLU 20.A N SER 17.A OG no hydrogen 3.195 N/A ALA 21.A N SER 17.A O no hydrogen 3.209 N/A ALA 22.A N GLY 18.A O no hydrogen 3.191 N/A ALA 22.A N TYR 19.A O no hydrogen 3.329 N/A VAL 23.A N GLU 20.A O no hydrogen 3.274 N/A THR 26.A N ASN 199.A OD1 no hydrogen 3.058 N/A GLU 27.A N PRO 24.A O no hydrogen 2.840 N/A LYS 28.A N ILE 25.A O no hydrogen 3.150 N/A LYS 28.A NZ VAL 23.A O no hydrogen 2.780 N/A SER 29.A OG ASN 493.A OD1 no hydrogen 2.802 N/A ASN 30.A ND2 GLU 54.A OE1 no hydrogen 3.190 N/A ASN 30.A ND2 PRO 241.A O no hydrogen 2.956 N/A LEU 32.A N ASN 30.A OD1 no hydrogen 2.953 N/A THR 33.A N ASN 30.A O no hydrogen 3.161 N/A THR 33.A OG1 ASN 30.A O no hydrogen 3.521 N/A THR 33.A OG1 GLY 243.A O no hydrogen 2.658 N/A LEU 36.A N THR 33.A O no hydrogen 3.020 N/A ASP 37.A N GLN 492.A O no hydrogen 3.063 N/A LYS 38.A NZ GLU 589.A OE2 no hydrogen 2.807 N/A ALA 39.A N LEU 36.A O no hydrogen 3.198 N/A ASN 43.A N ASP 40.A OD1 no hydrogen 2.972 N/A ASN 43.A ND2 ASP 40.A OD1 no hydrogen 2.708 N/A ILE 44.A N ASP 40.A O no hydrogen 2.892 N/A VAL 45.A N ALA 41.A O no hydrogen 3.078 N/A ARG 46.A N GLU 42.A O no hydrogen 3.188 N/A LEU 47.A N ASN 43.A O no hydrogen 2.892 N/A LEU 48.A N ILE 44.A O no hydrogen 2.838 N/A GLY 49.A N VAL 45.A O no hydrogen 2.795 N/A GLN 50.A N ARG 46.A O no hydrogen 3.032 N/A GLN 50.A NE2 GLU 54.A OE2 no hydrogen 3.070 N/A CYS 51.A N LEU 47.A O no hydrogen 3.141 N/A CYS 51.A SG LEU 47.A O no hydrogen 3.377 N/A ASP 52.A N LEU 48.A O no hydrogen 2.909 N/A ALA 53.A N GLY 49.A O no hydrogen 3.049 N/A GLU 54.A N GLN 50.A O no hydrogen 3.304 N/A GLU 54.A N CYS 51.A O no hydrogen 3.118 N/A PHE 56.A N ALA 53.A O no hydrogen 3.223 N/A GLN 57.A N GLU 54.A O no hydrogen 3.256 N/A TYR 61.A N SER 59.A OG no hydrogen 3.363 N/A GLN 62.A NE2 ASN 236.A OD1 no hydrogen 3.539 N/A ARG 63.A N THR 60.A O no hydrogen 3.402 N/A ARG 63.A NE GLN 57.A O no hydrogen 2.958 N/A ARG 63.A NH2 GLN 57.A O no hydrogen 3.364 N/A TYR 65.A OH GLU 290.A OE1 no hydrogen 2.715 N/A SER 66.A N ARG 63.A O no hydrogen 2.999 N/A SER 66.A OG ARG 63.A O no hydrogen 2.748 N/A SER 68.A OG GLN 62.A OE1 no hydrogen 2.814 N/A ILE 69.A N SER 66.A OG no hydrogen 3.255 N/A LEU 70.A N SER 66.A O no hydrogen 3.024 N/A THR 71.A N GLU 67.A O no hydrogen 2.895 N/A THR 71.A OG1 GLU 67.A O no hydrogen 2.723 N/A THR 72.A N SER 68.A O no hydrogen 3.116 N/A THR 72.A OG1 SER 68.A O no hydrogen 3.030 N/A MET 73.A N ILE 69.A O no hydrogen 2.924 N/A VAL 74.A N LEU 70.A O no hydrogen 2.899 N/A GLN 75.A N THR 71.A O no hydrogen 2.965 N/A VAL 76.A N THR 72.A O no hydrogen 2.900 N/A ALA 77.A N MET 73.A O no hydrogen 2.883 N/A GLY 78.A N VAL 74.A O no hydrogen 2.971 N/A LYS 79.A N GLN 75.A O no hydrogen 3.142 N/A VAL 80.A N VAL 76.A O no hydrogen 2.915 N/A GLN 81.A N ALA 77.A O no hydrogen 2.925 N/A GLN 81.A NE2 GLY 78.A O no hydrogen 2.916 N/A VAL 83.A N VAL 80.A O no hydrogen 2.927 N/A LEU 84.A N VAL 80.A O no hydrogen 3.004 N/A LYS 85.A N GLN 81.A O no hydrogen 2.985 N/A LYS 85.A NZ GLN 81.A OE1 no hydrogen 2.782 N/A GLU 86.A N VAL 83.A O no hydrogen 3.059 N/A GLY 90.A N PRO 87.A O no hydrogen 3.044 N/A LEU 91.A N ARG 162.A O no hydrogen 2.998 N/A VAL 92.A N LEU 123.A O no hydrogen 2.892 N/A VAL 93.A N ILE 164.A O no hydrogen 2.726 N/A LEU 94.A N THR 125.A O no hydrogen 3.061 N/A SER 95.A N ILE 166.A O no hydrogen 2.841 N/A SER 95.A OG LEU 127.A O no hydrogen 3.506 N/A SER 95.A OG GLN 180.A OE1 no hydrogen 2.598 N/A GLY 96.A N LEU 127.A O no hydrogen 3.113 N/A GLY 101.A N GLY 97.A O no hydrogen 3.233 N/A ARG 102.A N GLY 98.A O no hydrogen 2.879 N/A ARG 102.A NE SER 134.A O no hydrogen 2.859 N/A ARG 102.A NE VAL 135.A O no hydrogen 3.078 N/A ARG 102.A NH1 GLU 338.A OE2 no hydrogen 3.317 N/A ARG 102.A NH2 SER 134.A O no hydrogen 2.817 N/A ARG 102.A NH2 ALA 137.A O no hydrogen 3.177 N/A MET 103.A N THR 99.A O no hydrogen 2.723 N/A ALA 104.A N SER 100.A O no hydrogen 2.997 N/A PHE 105.A N GLY 101.A O no hydrogen 3.031 N/A LEU 106.A N ARG 102.A O no hydrogen 2.897 N/A MET 107.A N MET 103.A O no hydrogen 2.771 N/A SER 108.A N ALA 104.A O no hydrogen 3.014 N/A SER 108.A OG PHE 105.A O no hydrogen 2.704 N/A VAL 109.A N PHE 105.A O no hydrogen 3.037 N/A SER 110.A N LEU 106.A O no hydrogen 2.907 N/A SER 110.A OG LEU 106.A O no hydrogen 3.176 N/A PHE 111.A N MET 107.A O no hydrogen 2.896 N/A ASN 112.A N SER 108.A O no hydrogen 2.925 N/A ASN 112.A ND2 TYR 124.A O no hydrogen 2.841 N/A GLN 113.A N VAL 109.A O no hydrogen 3.043 N/A LEU 114.A N SER 110.A O no hydrogen 2.969 N/A MET 115.A N PHE 111.A O no hydrogen 3.069 N/A LYS 116.A N ASN 112.A O no hydrogen 2.845 N/A LYS 116.A NZ ASP 360.A OD2 no hydrogen 3.348 N/A GLY 117.A N GLN 113.A O no hydrogen 2.919 N/A LEU 118.A N LEU 114.A O no hydrogen 3.294 N/A LEU 118.A N MET 115.A O no hydrogen 3.201 N/A GLY 119.A N LYS 116.A O no hydrogen 2.935 N/A GLN 120.A N MET 115.A O no hydrogen 2.835 N/A GLN 120.A NE2 ASP 272.A OD1 no hydrogen 2.828 N/A TYR 124.A N ASN 112.A OD1 no hydrogen 2.907 N/A TYR 124.A OH HIS 268.A NE2 no hydrogen 2.698 N/A THR 125.A N VAL 92.A O no hydrogen 2.962 N/A THR 125.A OG1 ASN 363.A OD1 no hydrogen 3.332 N/A TYR 126.A OH ASP 132.A OD1 no hydrogen 2.480 N/A LEU 127.A N LEU 94.A O no hydrogen 2.856 N/A ALA 129.A N GLY 96.A O no hydrogen 3.097 N/A GLY 130.A N HIS 148.A NE2 no hydrogen 2.955 N/A GLY 131.A N ILE 128.A O no hydrogen 2.934 N/A ASP 132.A N GLU 367.A OE1 no hydrogen 2.851 N/A SER 134.A N GLY 131.A O no hydrogen 3.040 N/A SER 134.A OG ALA 129.A O no hydrogen 2.719 N/A VAL 135.A N ASP 132.A O no hydrogen 3.037 N/A VAL 136.A N ARG 133.A O no hydrogen 3.239 N/A ALA 137.A N ARG 133.A O no hydrogen 2.846 N/A SER 138.A OG GLU 140.A OE1 no hydrogen 2.442 N/A SER 138.A OG GLU 140.A OE2 no hydrogen 2.991 N/A ARG 139.A NE SER 134.A OG no hydrogen 3.247 N/A ARG 139.A NH2 GLY 130.A O no hydrogen 2.932 N/A THR 142.A N ARG 139.A O no hydrogen 3.252 N/A THR 142.A OG1 ARG 139.A O no hydrogen 2.685 N/A GLU 143.A N GLU 140.A O no hydrogen 3.346 N/A ASP 144.A N GLY 141.A O no hydrogen 3.155 N/A SER 145.A OG ASP 211.A OD2 no hydrogen 2.608 N/A ALA 146.A N ASP 211.A OD1 no hydrogen 2.902 N/A LEU 147.A N ASP 211.A OD2 no hydrogen 3.236 N/A HIS 148.A N SER 145.A OG no hydrogen 2.999 N/A GLY 149.A N SER 145.A O no hydrogen 3.453 N/A ILE 150.A N ALA 146.A O no hydrogen 3.018 N/A GLU 151.A N LEU 147.A O no hydrogen 2.872 N/A GLU 152.A N HIS 148.A O no hydrogen 3.108 N/A LEU 153.A N GLY 149.A O no hydrogen 3.094 N/A LYS 154.A N ILE 150.A O no hydrogen 2.831 N/A LYS 155.A N GLU 151.A O no hydrogen 3.103 N/A LYS 155.A NZ GLU 152.A OE2 no hydrogen 2.804 N/A VAL 156.A N GLU 152.A O no hydrogen 3.329 N/A ALA 157.A N LEU 153.A O no hydrogen 2.954 N/A LYS 160.A N ALA 157.A O no hydrogen 3.047 N/A LYS 161.A N GLY 89.A O no hydrogen 2.716 N/A ARG 162.A N GLY 89.A O no hydrogen 2.986 N/A ARG 162.A NH1 THR 188.A O no hydrogen 3.166 N/A ARG 162.A NH1 VAL 190.A O no hydrogen 3.424 N/A VAL 163.A N VAL 190.A O no hydrogen 2.892 N/A ILE 164.A N LEU 91.A O no hydrogen 2.883 N/A VAL 165.A N LEU 192.A O no hydrogen 2.966 N/A ILE 166.A N VAL 93.A O no hydrogen 2.723 N/A GLY 167.A N VAL 194.A O no hydrogen 2.779 N/A ILE 168.A N SER 95.A O no hydrogen 2.717 N/A SER 169.A N VAL 196.A O no hydrogen 2.901 N/A LEU 172.A N SER 169.A O no hydrogen 2.874 N/A SER 173.A N SER 169.A OG no hydrogen 2.902 N/A ALA 174.A N SER 169.A OG no hydrogen 2.996 N/A PHE 176.A N GLU 143.A O no hydrogen 2.913 N/A VAL 177.A N ALA 174.A O no hydrogen 2.911 N/A ALA 178.A N ALA 174.A O no hydrogen 3.054 N/A GLY 179.A N PRO 175.A O no hydrogen 2.971 N/A GLN 180.A NE2 GLY 149.A O no hydrogen 2.906 N/A MET 181.A N VAL 177.A O no hydrogen 2.961 N/A ASP 182.A N ALA 178.A O no hydrogen 3.016 N/A CYS 183.A N GLY 179.A O no hydrogen 3.034 N/A CYS 183.A SG.A GLY 179.A O no hydrogen 3.603 N/A CYS 184.A N GLN 180.A O no hydrogen 2.969 N/A CYS 184.A SG GLN 180.A O no hydrogen 3.274 N/A MET 185.A N MET 181.A O no hydrogen 3.155 N/A ASN 186.A N ASP 182.A O no hydrogen 3.316 N/A ASN 186.A N CYS 183.A O no hydrogen 3.191 N/A ASN 187.A N CYS 184.A O no hydrogen 3.029 N/A VAL 190.A N ASN 187.A O no hydrogen 3.353 N/A VAL 190.A N ASN 187.A OD1 no hydrogen 3.146 N/A PHE 191.A N ASN 187.A O no hydrogen 2.847 N/A LEU 192.A N VAL 163.A O no hydrogen 2.929 N/A VAL 194.A N VAL 165.A O no hydrogen 2.752 N/A LEU 195.A N PHE 233.A O no hydrogen 2.826 N/A VAL 196.A N GLY 167.A O no hydrogen 2.847 N/A GLY 197.A N LEU 235.A O no hydrogen 3.323 N/A PHE 198.A N VAL 170.A O no hydrogen 2.748 N/A ASN 199.A ND2 THR 26.A OG1 no hydrogen 2.858 N/A ASN 199.A ND2 GLY 171.A O no hydrogen 2.918 N/A MET 203.A N PRO 200.A O no hydrogen 2.914 N/A ALA 204.A N VAL 201.A O no hydrogen 3.012 N/A ARG 205.A N LEU 172.A O no hydrogen 3.059 N/A ARG 205.A NE ASP 207.A OD1 no hydrogen 2.826 N/A ARG 205.A NH1 SER 173.A OG no hydrogen 3.120 N/A ARG 205.A NH2 ASP 207.A OD2 no hydrogen 2.715 N/A ARG 205.A NH2 SER 503.A OG no hydrogen 2.848 N/A TRP 212.A N ILE 209.A O no hydrogen 3.418 N/A TRP 212.A NE1 ASP 182.A OD2 no hydrogen 2.975 N/A THR 215.A N GLN 218.A OE1 no hydrogen 2.909 N/A THR 215.A OG1 ASN 206.A OD1 no hydrogen 2.756 N/A THR 215.A OG1 GLN 218.A OE1 no hydrogen 3.569 N/A ARG 217.A N ARG 205.A O no hydrogen 2.920 N/A ARG 217.A NE ALA 204.A O no hydrogen 2.789 N/A ARG 217.A NH2 ALA 204.A O no hydrogen 2.994 N/A GLN 218.A N THR 215.A OG1 no hydrogen 3.247 N/A VAL 219.A N THR 215.A O no hydrogen 3.078 N/A ALA 220.A N PHE 216.A O no hydrogen 2.816 N/A GLU 221.A N ARG 217.A O no hydrogen 2.843 N/A ARG 222.A N GLN 218.A O no hydrogen 3.041 N/A ARG 222.A NH1 ASP 182.A OD1 no hydrogen 2.799 N/A ARG 222.A NH1 ASN 186.A OD1 no hydrogen 3.111 N/A ARG 222.A NH2 ASN 186.A OD1 no hydrogen 2.839 N/A MET 223.A N VAL 219.A O no hydrogen 2.918 N/A GLN 224.A N ALA 220.A O no hydrogen 3.043 N/A LYS 225.A N GLU 221.A O no hydrogen 3.261 N/A MET 226.A N.A ARG 222.A O no hydrogen 3.000 N/A MET 226.A N.B ARG 222.A O no hydrogen 2.994 N/A GLN 227.A N MET 223.A O no hydrogen 2.899 N/A LYS 229.A N MET 226.A O.A no hydrogen 3.042 N/A LYS 229.A N MET 226.A O.B no hydrogen 3.034 N/A GLN 230.A N GLN 227.A O no hydrogen 2.863 N/A LYS 231.A N MET 226.A O.A no hydrogen 2.982 N/A LYS 231.A N MET 226.A O.B no hydrogen 3.000 N/A PHE 233.A N PRO 193.A O no hydrogen 3.032 N/A VAL 234.A N GLN 227.A OE1 no hydrogen 2.769 N/A LEU 235.A N LEU 195.A O no hydrogen 2.787 N/A ASN 236.A ND2 ASN 199.A O no hydrogen 3.090 N/A ALA 238.A N GLN 62.A O no hydrogen 2.741 N/A SER 245.A N ASN 493.A O no hydrogen 2.790 N/A SER 245.A OG ASN 493.A O no hydrogen 2.744 N/A SER 245.A OG ASN 493.A OD1 no hydrogen 3.443 N/A SER 247.A N LEU 244.A O no hydrogen 2.959 N/A SER 248.A N GLY 246.A O no hydrogen 2.839 N/A SER 248.A OG GLY 246.A O no hydrogen 3.377 N/A ARG 249.A NH1 ASP 335.A OD1 no hydrogen 2.992 N/A ARG 249.A NH2 SER 480.A OG no hydrogen 2.807 N/A MET 250.A N SER 247.A O no hydrogen 3.016 N/A LYS 251.A N GLU 242.A OE1 no hydrogen 2.724 N/A LYS 251.A NZ GLU 54.A OE1 no hydrogen 2.828 N/A LYS 251.A NZ ILE 239.A O no hydrogen 2.786 N/A LYS 251.A NZ PRO 241.A O no hydrogen 2.768 N/A GLY 252.A N GLU 242.A OE2 no hydrogen 2.738 N/A GLY 253.A N SER 248.A O no hydrogen 2.871 N/A SER 254.A N MET 250.A O no hydrogen 2.907 N/A SER 254.A OG MET 250.A O no hydrogen 3.062 N/A ALA 255.A N LYS 251.A O no hydrogen 2.786 N/A THR 256.A N GLY 252.A O no hydrogen 2.931 N/A THR 256.A OG1 GLY 252.A O no hydrogen 2.712 N/A LYS 257.A N GLY 253.A O no hydrogen 3.012 N/A LYS 257.A NZ GLU 261.A OE1 no hydrogen 3.289 N/A LYS 257.A NZ GLU 261.A OE2 no hydrogen 2.603 N/A LYS 257.A NZ PHE 466.A O no hydrogen 3.071 N/A LYS 257.A NZ GLU 469.A OE1 no hydrogen 2.966 N/A ILE 258.A N SER 254.A O no hydrogen 3.064 N/A LEU 259.A N ALA 255.A O no hydrogen 2.971 N/A LEU 260.A N THR 256.A O no hydrogen 3.039 N/A GLU 261.A N LYS 257.A O no hydrogen 2.967 N/A THR 262.A N ILE 258.A O no hydrogen 2.938 N/A THR 262.A OG1 ILE 258.A O no hydrogen 2.672 N/A LEU 263.A N LEU 259.A O no hydrogen 3.125 N/A LEU 264.A N LEU 260.A O no hydrogen 2.887 N/A LEU 265.A N GLU 261.A O no hydrogen 2.892 N/A ALA 266.A N THR 262.A O no hydrogen 3.065 N/A ALA 267.A N LEU 263.A O no hydrogen 3.012 N/A HIS 268.A N LEU 264.A O no hydrogen 3.026 N/A HIS 268.A NE2 TYR 124.A OH no hydrogen 2.698 N/A LYS 269.A N LEU 265.A O no hydrogen 2.804 N/A LYS 269.A NZ GLU 459.A OE2 no hydrogen 3.453 N/A THR 270.A N ALA 266.A O no hydrogen 3.026 N/A THR 270.A OG1 ALA 266.A O no hydrogen 2.882 N/A THR 270.A OG1 ILE 275.A O no hydrogen 3.230 N/A VAL 271.A N ALA 267.A O no hydrogen 3.275 N/A ASP 272.A N HIS 268.A O no hydrogen 2.857 N/A GLN 273.A N LYS 269.A O no hydrogen 2.813 N/A GLY 274.A N THR 270.A O no hydrogen 3.080 N/A CYS 281.A N.A SER 278.A OG no hydrogen 3.275 N/A CYS 281.A N.B SER 278.A OG no hydrogen 3.271 N/A CYS 281.A SG.A SER 278.A OG no hydrogen 3.474 N/A CYS 281.A SG.B GLU 459.A OE2 no hydrogen 3.839 N/A LEU 282.A N SER 278.A O no hydrogen 2.951 N/A LEU 283.A N GLN 279.A O no hydrogen 3.012 N/A GLU 284.A N ARG 280.A O no hydrogen 3.102 N/A ILE 285.A N CYS 281.A O.A no hydrogen 3.235 N/A ILE 285.A N CYS 281.A O.B no hydrogen 3.171 N/A LEU 286.A N LEU 282.A O no hydrogen 2.914 N/A ARG 287.A N LEU 283.A O no hydrogen 2.826 N/A THR 288.A N ILE 285.A O no hydrogen 2.963 N/A THR 288.A OG1 GLU 284.A O no hydrogen 2.926 N/A PHE 289.A N ILE 285.A O no hydrogen 3.302 N/A GLU 290.A N LEU 286.A O no hydrogen 3.025 N/A ARG 291.A N ARG 287.A O no hydrogen 2.981 N/A ALA 292.A N THR 288.A O no hydrogen 3.037 N/A HIS 293.A N GLU 290.A O no hydrogen 3.074 N/A HIS 293.A NE2 GLY 49.A O no hydrogen 2.683 N/A VAL 295.A N ARG 291.A O no hydrogen 3.031 N/A THR 296.A N ALA 292.A O no hydrogen 2.876 N/A THR 296.A OG1 ALA 292.A O no hydrogen 2.700 N/A THR 296.A OG1 SER 471.A OG no hydrogen 2.774 N/A TYR 297.A N HIS 293.A O no hydrogen 2.838 N/A TYR 297.A OH ASP 52.A OD2 no hydrogen 2.568 N/A TYR 297.A OH THR 478.A OG1 no hydrogen 2.754 N/A SER 298.A OG VAL 295.A O no hydrogen 2.702 N/A GLN 299.A N THR 296.A O no hydrogen 3.068 N/A SER 300.A N TYR 297.A O no hydrogen 3.130 N/A SER 300.A OG TYR 297.A O no hydrogen 2.626 N/A LYS 302.A NZ ILE 446.A O no hydrogen 2.775 N/A ILE 303.A N GLN 299.A O no hydrogen 3.043 N/A ALA 304.A N SER 300.A O no hydrogen 2.997 N/A THR 305.A N PRO 301.A O no hydrogen 2.985 N/A THR 305.A OG1 PRO 301.A O no hydrogen 3.048 N/A LEU 306.A N LYS 302.A O no hydrogen 2.929 N/A MET 307.A N ILE 303.A O no hydrogen 2.932 N/A LYS 308.A N ALA 304.A O no hydrogen 3.131 N/A LYS 308.A NZ GLU 42.A OE2 no hydrogen 2.874 N/A SER 309.A N THR 305.A O no hydrogen 3.193 N/A SER 309.A OG THR 305.A O no hydrogen 3.164 N/A VAL 310.A N LEU 306.A O no hydrogen 2.939 N/A SER 311.A N MET 307.A O no hydrogen 2.906 N/A SER 311.A OG ALA 483.A O no hydrogen 2.754 N/A THR 312.A N LYS 308.A O no hydrogen 2.928 N/A THR 312.A OG1 LYS 308.A O no hydrogen 2.959 N/A SER 313.A N SER 309.A O no hydrogen 3.137 N/A SER 313.A OG ILE 393.A O no hydrogen 2.689 N/A SER 313.A OG THR 395.A OG1 no hydrogen 2.600 N/A LEU 314.A N VAL 310.A O no hydrogen 3.107 N/A GLU 315.A N SER 311.A O no hydrogen 2.882 N/A THR 316.A N THR 312.A O no hydrogen 3.098 N/A THR 316.A N SER 313.A O no hydrogen 3.190 N/A THR 316.A OG1 THR 312.A O no hydrogen 2.719 N/A THR 317.A N LEU 314.A O no hydrogen 3.070 N/A THR 317.A OG1 THR 316.A O no hydrogen 2.564 N/A GLY 318.A N SER 313.A O no hydrogen 2.704 N/A HIS 319.A N ASP 394.A OD1 no hydrogen 2.807 N/A VAL 320.A N ASP 349.A O no hydrogen 2.724 N/A TYR 321.A N THR 395.A O no hydrogen 2.834 N/A LEU 322.A N ARG 351.A O no hydrogen 2.944 N/A VAL 323.A N VAL 397.A O no hydrogen 2.725 N/A GLY 324.A N PHE 353.A O no hydrogen 2.941 N/A TRP 325.A N ILE 399.A O no hydrogen 2.883 N/A TRP 325.A NE1 GLU 408.A OE1 no hydrogen 2.830 N/A GLN 326.A N ILE 355.A O no hydrogen 2.894 N/A THR 327.A OG1 GLU 469.A OE2 no hydrogen 2.623 N/A LEU 328.A N TRP 325.A O no hydrogen 3.125 N/A GLY 329.A N GLN 326.A O no hydrogen 2.955 N/A ILE 330.A N THR 327.A O no hydrogen 2.914 N/A ILE 331.A N THR 327.A O no hydrogen 3.200 N/A ALA 332.A N LEU 328.A O no hydrogen 2.961 N/A ILE 333.A N GLY 329.A O no hydrogen 2.932 N/A MET 334.A N ILE 330.A O no hydrogen 2.930 N/A ASP 335.A N ILE 331.A O no hydrogen 3.119 N/A ASP 335.A N ALA 332.A O no hydrogen 3.181 N/A GLY 336.A N ALA 332.A O no hydrogen 3.437 N/A CYS 339.A N GLY 336.A O no hydrogen 3.110 N/A CYS 339.A SG ASP 335.A O no hydrogen 3.947 N/A ILE 340.A N VAL 337.A O no hydrogen 3.351 N/A THR 342.A N GLU 338.A O no hydrogen 3.219 N/A THR 342.A OG1 GLU 338.A O no hydrogen 2.688 N/A PHE 343.A N CYS 339.A O no hydrogen 3.039 N/A ALA 345.A N CYS 339.A O no hydrogen 3.290 N/A ASP 346.A N ASP 349.A OD2 no hydrogen 2.908 N/A ARG 348.A N ASP 346.A OD1 no hydrogen 2.955 N/A ARG 348.A NH1 ASP 346.A OD1 no hydrogen 2.870 N/A ASP 349.A N ASP 346.A O no hydrogen 3.075 N/A ARG 351.A N VAL 320.A O no hydrogen 2.996 N/A ARG 351.A NE THR 376.A OG1 no hydrogen 3.095 N/A ARG 351.A NH1 PHE 347.A O no hydrogen 2.856 N/A ARG 351.A NH2 GLN 374.A O no hydrogen 2.986 N/A ARG 351.A NH2 THR 376.A O no hydrogen 3.001 N/A PHE 353.A N LEU 322.A O no hydrogen 2.737 N/A LEU 354.A N PHE 377.A O no hydrogen 2.774 N/A ILE 355.A N GLY 324.A O no hydrogen 2.806 N/A GLY 356.A N GLN 379.A OE1 no hydrogen 2.900 N/A SER 359.A N ASP 357.A OD1 no hydrogen 3.102 N/A SER 359.A OG ASP 357.A OD1 no hydrogen 2.727 N/A SER 359.A OG ASP 357.A OD2 no hydrogen 3.376 N/A MET 361.A N HIS 358.A O no hydrogen 3.322 N/A ASN 363.A N TYR 126.A OH no hydrogen 2.860 N/A ASN 363.A ND2 TYR 126.A O no hydrogen 2.998 N/A GLN 364.A N ASP 132.A OD2 no hydrogen 2.786 N/A LYS 365.A NZ HIS 358.A NE2 no hydrogen 3.092 N/A GLU 367.A N GLN 364.A O no hydrogen 3.059 N/A LEU 368.A N LYS 365.A O no hydrogen 2.931 N/A THR 369.A N LYS 365.A O no hydrogen 3.125 N/A THR 369.A OG1 ALA 366.A O no hydrogen 2.996 N/A GLN 371.A N LEU 368.A O no hydrogen 3.350 N/A GLN 374.A N GLN 374.A OE1 no hydrogen 2.846 N/A PHE 375.A N GLY 372.A O no hydrogen 3.111 N/A THR 376.A OG1 PRO 373.A O no hydrogen 3.404 N/A PHE 377.A N ASP 381.A OD2 no hydrogen 2.901 N/A SER 378.A N ASP 381.A OD2 no hydrogen 3.083 N/A ASP 381.A N SER 378.A OG no hydrogen 3.014 N/A PHE 382.A N SER 378.A O no hydrogen 2.910 N/A LEU 383.A N GLN 379.A O no hydrogen 2.980 N/A THR 384.A N GLU 380.A O no hydrogen 2.866 N/A THR 384.A OG1 GLU 380.A O no hydrogen 2.660 N/A SER 385.A N ASP 381.A O no hydrogen 2.932 N/A ILE 386.A N ASP 381.A O no hydrogen 3.360 N/A ILE 386.A N PHE 382.A O no hydrogen 3.225 N/A LEU 387.A N PHE 382.A O no hydrogen 2.763 N/A SER 389.A N ILE 386.A O no hydrogen 2.966 N/A SER 389.A OG SER 385.A O no hydrogen 3.450 N/A SER 389.A OG ILE 386.A O no hydrogen 2.812 N/A LEU 390.A N LEU 387.A O no hydrogen 3.240 N/A THR 391.A N ASP 394.A OD2 no hydrogen 2.903 N/A ASP 394.A N THR 391.A O no hydrogen 3.076 N/A THR 395.A N HIS 319.A O no hydrogen 2.996 N/A THR 395.A OG1 SER 313.A OG no hydrogen 2.600 N/A VAL 396.A N HIS 422.A O no hydrogen 2.906 N/A VAL 397.A N TYR 321.A O no hydrogen 2.789 N/A PHE 398.A N GLN 424.A O.A no hydrogen 2.835 N/A PHE 398.A N GLN 424.A O.B no hydrogen 2.836 N/A ILE 399.A N VAL 323.A O no hydrogen 2.802 N/A PHE 400.A N LEU 426.A O no hydrogen 3.167 N/A THR 401.A N ASP 404.A OD2 no hydrogen 2.775 N/A THR 401.A OG1 ASP 404.A OD2 no hydrogen 3.446 N/A LEU 402.A N HIS 428.A O no hydrogen 2.966 N/A ASP 403.A N THR 401.A OG1 no hydrogen 3.140 N/A ASP 404.A N THR 401.A O no hydrogen 3.148 N/A GLU 408.A N ASN 405.A OD1 no hydrogen 3.138 N/A VAL 409.A N ASN 405.A O no hydrogen 3.077 N/A GLN 410.A N LEU 406.A O no hydrogen 3.043 N/A GLN 410.A NE2 GLU 414.A OE2 no hydrogen 3.036 N/A THR 411.A N THR 407.A O no hydrogen 2.906 N/A THR 411.A OG1 THR 407.A O no hydrogen 2.778 N/A ILE 412.A N GLU 408.A O no hydrogen 3.001 N/A VAL 413.A N VAL 409.A O no hydrogen 2.939 N/A GLU 414.A N GLN 410.A O no hydrogen 2.962 N/A GLN 415.A N THR 411.A O no hydrogen 3.123 N/A GLN 415.A NE2 THR 411.A O no hydrogen 3.441 N/A VAL 416.A N ILE 412.A O no hydrogen 2.987 N/A LYS 417.A N VAL 413.A O no hydrogen 2.799 N/A GLU 418.A N GLU 414.A O no hydrogen 3.284 N/A LYS 419.A N VAL 416.A O no hydrogen 2.899 N/A LYS 419.A NZ PRO 388.A O no hydrogen 3.550 N/A THR 420.A N VAL 416.A O no hydrogen 3.044 N/A THR 420.A OG1 GLU 392.A O no hydrogen 3.472 N/A THR 420.A OG1 ASP 394.A O no hydrogen 2.701 N/A HIS 422.A N THR 420.A OG1 no hydrogen 3.146 N/A ILE 423.A N ASN 421.A O no hydrogen 2.783 N/A GLN 424.A N.A VAL 396.A O no hydrogen 3.170 N/A GLN 424.A N.B VAL 396.A O no hydrogen 3.171 N/A GLN 424.A NE2.A SER 445.A O no hydrogen 3.111 N/A GLN 424.A NE2.B SER 445.A O no hydrogen 3.140 N/A ALA 425.A N GLN 424.A OE1.A no hydrogen 2.964 N/A ALA 425.A N GLN 424.A OE1.B no hydrogen 2.976 N/A LEU 426.A N PHE 398.A O no hydrogen 2.834 N/A ALA 427.A N ILE 447.A O no hydrogen 2.907 N/A HIS 428.A N PHE 400.A O no hydrogen 3.025 N/A HIS 428.A NE2 THR 472.A OG1 no hydrogen 2.828 N/A SER 429.A N ILE 449.A O no hydrogen 2.948 N/A THR 430.A N GLN 433.A OE1 no hydrogen 2.945 N/A VAL 431.A N TRP 451.A O no hydrogen 2.930 N/A GLN 433.A N THR 430.A O no hydrogen 2.980 N/A GLN 433.A NE2 ASP 403.A OD1 no hydrogen 2.841 N/A LEU 439.A N PRO 436.A O no hydrogen 3.083 N/A LYS 440.A N PRO 436.A O no hydrogen 3.115 N/A LYS 441.A N ILE 437.A O no hydrogen 3.007 N/A LEU 442.A N PRO 438.A O no hydrogen 3.068 N/A PHE 443.A N LEU 439.A O no hydrogen 2.872 N/A ILE 446.A N PHE 443.A O no hydrogen 3.304 N/A ILE 447.A N ALA 425.A O no hydrogen 2.915 N/A ILE 449.A N ALA 427.A O no hydrogen 2.882 N/A TRP 451.A N SER 429.A O no hydrogen 2.739 N/A TRP 451.A NE1 HIS 428.A ND1 no hydrogen 3.075 N/A TYR 458.A OH ASP 272.A OD2 no hydrogen 2.583 N/A GLU 459.A N GLU 459.A OE1 no hydrogen 2.719 N/A GLY 460.A N PHE 456.A O no hydrogen 2.935 N/A ILE 463.A N GLU 459.A O no hydrogen 2.825 N/A GLN 464.A N GLY 460.A O no hydrogen 3.003 N/A GLN 464.A NE2 PRO 452.A O no hydrogen 3.270 N/A LYS 465.A N ASN 461.A O no hydrogen 3.183 N/A LYS 465.A NZ GLN 113.A OE1 no hydrogen 2.985 N/A PHE 466.A N PHE 462.A O no hydrogen 2.829 N/A GLN 467.A N ILE 463.A O no hydrogen 2.756 N/A GLN 467.A NE2 GLN 464.A OE1 no hydrogen 2.953 N/A ARG 468.A N GLN 464.A O no hydrogen 3.409 N/A ARG 468.A NE GLN 464.A OE1 no hydrogen 2.840 N/A ARG 468.A NH2 THR 430.A OG1 no hydrogen 2.698 N/A ARG 468.A NH2 GLN 464.A OE1 no hydrogen 3.088 N/A GLU 469.A N LYS 465.A O no hydrogen 3.084 N/A LEU 470.A N PHE 466.A O no hydrogen 2.914 N/A SER 471.A N GLN 467.A O no hydrogen 2.808 N/A SER 471.A OG THR 296.A OG1 no hydrogen 2.774 N/A THR 472.A N ARG 468.A O no hydrogen 2.942 N/A THR 472.A OG1 HIS 428.A NE2 no hydrogen 2.828 N/A THR 472.A OG1 ARG 468.A O no hydrogen 2.771 N/A LYS 473.A N GLU 469.A O no hydrogen 2.875 N/A LYS 473.A NZ ARG 249.A O no hydrogen 2.822 N/A LYS 473.A NZ MET 250.A O no hydrogen 2.795 N/A LYS 473.A NZ SER 254.A OG no hydrogen 2.774 N/A LYS 473.A NZ ASN 477.A OD1 no hydrogen 3.128 N/A TRP 474.A N LEU 470.A O no hydrogen 2.992 N/A VAL 475.A N SER 471.A O no hydrogen 3.006 N/A LEU 476.A N THR 472.A O no hydrogen 2.859 N/A ASN 477.A N LYS 473.A O no hydrogen 2.837 N/A ASN 477.A ND2 ASP 335.A OD1 no hydrogen 2.751 N/A THR 478.A N TRP 474.A O no hydrogen 2.981 N/A THR 478.A OG1 TYR 297.A OH no hydrogen 2.754 N/A THR 478.A OG1 TRP 474.A O no hydrogen 3.079 N/A VAL 479.A N VAL 475.A O no hydrogen 2.928 N/A SER 480.A N LEU 476.A O no hydrogen 2.837 N/A SER 480.A OG ASP 335.A OD1 no hydrogen 2.576 N/A SER 480.A OG ASP 335.A OD2 no hydrogen 3.191 N/A SER 480.A OG LEU 476.A O no hydrogen 2.984 N/A SER 480.A OG ASN 477.A O no hydrogen 3.353 N/A THR 481.A N ASN 477.A O no hydrogen 2.954 N/A THR 481.A OG1 ASN 477.A O no hydrogen 2.703 N/A GLY 482.A N THR 478.A O no hydrogen 2.846 N/A ALA 483.A N VAL 479.A O no hydrogen 2.836 N/A HIS 484.A N SER 480.A O no hydrogen 3.408 N/A HIS 484.A N THR 481.A O no hydrogen 3.223 N/A HIS 484.A ND1 SER 480.A O no hydrogen 2.844 N/A VAL 485.A N THR 481.A O no hydrogen 2.993 N/A LEU 486.A N GLY 482.A O no hydrogen 2.863 N/A LEU 487.A N HIS 484.A O no hydrogen 3.057 N/A GLY 488.A N VAL 485.A O no hydrogen 2.963 N/A LYS 489.A N HIS 484.A O no hydrogen 3.362 N/A LEU 491.A N HIS 494.A O no hydrogen 3.003 N/A GLN 492.A N ASP 37.A OD2 no hydrogen 2.810 N/A ASN 493.A ND2 SER 29.A OG no hydrogen 2.906 N/A ASN 493.A ND2 THR 33.A OG1 no hydrogen 3.085 N/A HIS 494.A N LEU 491.A O no hydrogen 2.777 N/A LEU 496.A N HIS 494.A O no hydrogen 2.915 N/A LEU 498.A N MET 495.A O no hydrogen 3.283 N/A ARG 499.A N HIS 341.A O no hydrogen 2.916 N/A ARG 499.A NE ILE 340.A O no hydrogen 3.176 N/A ARG 499.A NE ALA 345.A O no hydrogen 3.511 N/A ARG 499.A NH1 GLU 556.A O no hydrogen 3.179 N/A ARG 499.A NH1 GLU 558.A OE2 no hydrogen 3.164 N/A ARG 499.A NH2 ALA 345.A O no hydrogen 3.132 N/A ARG 499.A NH2 GLU 558.A OE2 no hydrogen 3.073 N/A ASN 502.A ND2 GLU 140.A O no hydrogen 3.450 N/A SER 503.A N ASP 144.A OD2 no hydrogen 2.797 N/A SER 503.A OG ASP 144.A OD1 no hydrogen 2.680 N/A LEU 505.A N ASN 502.A OD1 no hydrogen 3.020 N/A PHE 506.A N ASN 502.A O no hydrogen 3.064 N/A TRP 507.A N SER 503.A O no hydrogen 2.996 N/A ARG 508.A N LYS 504.A O no hydrogen 2.966 N/A ARG 508.A NE GLU 27.A OE1 no hydrogen 2.807 N/A ARG 508.A NH2 GLU 27.A OE2 no hydrogen 2.848 N/A ALA 509.A N LEU 505.A O no hydrogen 2.893 N/A LEU 510.A N PHE 506.A O no hydrogen 3.045 N/A ALA 511.A N TRP 507.A O no hydrogen 2.998 N/A MET 512.A N ARG 508.A O no hydrogen 3.010 N/A LEU 513.A N ALA 509.A O no hydrogen 3.202 N/A GLN 514.A N LEU 510.A O no hydrogen 3.132 N/A GLN 514.A NE2 ILE 6.A O no hydrogen 3.161 N/A GLN 514.A NE2 THR 8.A OG1 no hydrogen 2.796 N/A ARG 515.A N ALA 511.A O no hydrogen 2.901 N/A ARG 515.A NH1 GLU 20.A OE1 no hydrogen 3.397 N/A ARG 515.A NH1 GLU 20.A OE2 no hydrogen 2.885 N/A ARG 515.A NH2 GLU 20.A OE1 no hydrogen 2.716 N/A PHE 516.A N MET 512.A O no hydrogen 2.870 N/A SER 517.A N LEU 513.A O no hydrogen 2.954 N/A SER 517.A OG LEU 513.A O no hydrogen 2.700 N/A GLY 518.A N GLN 514.A O no hydrogen 3.000 N/A GLN 519.A N SER 517.A OG no hydrogen 3.163 N/A GLN 519.A NE2 LEU 568.A O no hydrogen 3.134 N/A LYS 521.A N GLU 7.A OE2 no hydrogen 2.782 N/A LYS 521.A NZ PHE 2.A O no hydrogen 2.862 N/A LYS 521.A NZ VAL 5.A O no hydrogen 2.705 N/A ARG 523.A N SER 520.A OG no hydrogen 3.181 N/A ARG 523.A NE GLN 519.A OE1 no hydrogen 2.740 N/A ARG 523.A NH2 GLN 519.A OE1 no hydrogen 2.836 N/A CYS 524.A N SER 520.A O no hydrogen 2.956 N/A CYS 524.A SG SER 517.A OG no hydrogen 3.588 N/A CYS 524.A SG GLN 519.A O no hydrogen 3.537 N/A CYS 524.A SG SER 520.A O no hydrogen 3.495 N/A ILE 525.A N LYS 521.A O no hydrogen 2.911 N/A GLU 526.A N ALA 522.A O no hydrogen 3.086 N/A SER 527.A N ARG 523.A O no hydrogen 3.041 N/A SER 527.A OG ALA 564.A O no hydrogen 2.655 N/A LEU 528.A N CYS 524.A O no hydrogen 2.902 N/A LEU 529.A N ILE 525.A O no hydrogen 2.921 N/A ARG 530.A N GLU 526.A O no hydrogen 2.965 N/A ALA 531.A N SER 527.A O no hydrogen 2.994 N/A ILE 532.A N LEU 528.A O no hydrogen 2.935 N/A HIS 533.A N LEU 529.A O no hydrogen 3.024 N/A HIS 533.A NE2 HIS 550.A ND1 no hydrogen 2.919 N/A PHE 534.A N ARG 530.A O no hydrogen 3.035 N/A GLN 536.A N HIS 533.A O no hydrogen 2.869 N/A ILE 542.A N SER 539.A OG no hydrogen 3.397 N/A ARG 543.A N SER 539.A O no hydrogen 3.056 N/A ARG 543.A NE GLU 526.A OE1 no hydrogen 2.976 N/A ARG 543.A NH2 GLU 526.A OE2 no hydrogen 2.723 N/A ALA 544.A N ASP 540.A O no hydrogen 3.011 N/A ALA 545.A N ILE 542.A O no hydrogen 3.156 N/A SER 548.A N GLU 210.A OE2 no hydrogen 2.958 N/A SER 548.A OG GLU 210.A OE1 no hydrogen 2.626 N/A SER 548.A OG GLU 210.A OE2 no hydrogen 3.430 N/A CYS 549.A N PRO 546.A O no hydrogen 3.023 N/A HIS 550.A ND1 HIS 533.A NE2 no hydrogen 2.919 N/A VAL 551.A N ILE 547.A O no hydrogen 2.924 N/A GLN 552.A N SER 548.A O no hydrogen 2.962 N/A VAL 553.A N CYS 549.A O no hydrogen 3.232 N/A ALA 554.A N HIS 550.A O no hydrogen 2.768 N/A HIS 555.A N VAL 551.A O no hydrogen 2.799 N/A HIS 555.A ND1 GLN 552.A O no hydrogen 2.748 N/A LYS 557.A N ALA 554.A O no hydrogen 2.978 N/A LYS 557.A NZ ALA 531.A O no hydrogen 3.485 N/A LYS 557.A NZ ILE 532.A O no hydrogen 2.876 N/A LYS 557.A NZ PHE 534.A O no hydrogen 2.620 N/A ILE 563.A N GLN 559.A O no hydrogen 3.126 N/A ALA 564.A N VAL 560.A O no hydrogen 2.905 N/A LEU 565.A N ILE 561.A O no hydrogen 2.722 N/A LEU 566.A N PRO 562.A O no hydrogen 2.782 N/A SER 567.A N ILE 563.A O no hydrogen 3.049 N/A SER 567.A OG CYS 572.A O no hydrogen 2.785 N/A LEU 568.A N ALA 564.A O no hydrogen 3.196 N/A LEU 569.A N LEU 565.A O no hydrogen 2.870 N/A PHE 570.A N LEU 566.A O no hydrogen 2.895 N/A CYS 572.A N SER 567.A O no hydrogen 3.228 N/A CYS 572.A SG LEU 566.A O no hydrogen 3.752 N/A CYS 572.A SG SER 573.A O no hydrogen 3.521 N/A SER 573.A N GLU 576.A OE1 no hydrogen 2.979 N/A SER 573.A OG THR 575.A OG1 no hydrogen 3.093 N/A SER 573.A OG GLU 576.A OE1 no hydrogen 3.005 N/A THR 575.A OG1 SER 573.A OG no hydrogen 3.093 N/A GLU 576.A N SER 573.A OG no hydrogen 3.192 N/A ALA 577.A N SER 573.A O no hydrogen 3.003 N/A GLN 578.A N ILE 574.A O no hydrogen 2.778 N/A ALA 579.A N THR 575.A O no hydrogen 3.032 N/A HIS 580.A N GLU 576.A O no hydrogen 3.025 N/A LEU 581.A N ALA 577.A O no hydrogen 3.069 N/A ALA 582.A N GLN 578.A O no hydrogen 2.967 N/A ALA 583.A N ALA 579.A O no hydrogen 3.141 N/A ALA 584.A N LEU 581.A O no hydrogen 3.361 N/A CYS 588.A N GLY 488.A O no hydrogen 2.985 N/A CYS 588.A SG ASP 37.A OD2 no hydrogen 3.784 N/A CYS 588.A SG ILE 490.A O no hydrogen 3.307 N/A GLU 589.A N SER 586.A OG no hydrogen 3.127 N/A ALA 590.A N SER 586.A O no hydrogen 3.135 N/A VAL 591.A N VAL 587.A O no hydrogen 3.396 N/A ARG 592.A N CYS 588.A O no hydrogen 2.988 N/A SER 593.A N GLU 589.A O no hydrogen 2.939 N/A SER 593.A OG GLU 589.A O no hydrogen 2.843 N/A ALA 594.A N ALA 590.A O no hydrogen 3.232 N/A LEU 595.A N VAL 591.A O no hydrogen 2.775 N/A