Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bpc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N VAL 247.A O no hydrogen 2.754 N/A ILE 8.A N LYS 245.A O no hydrogen 3.046 N/A ASP 10.A N PRO 7.A O no hydrogen 2.927 N/A HIS 14.A N ASP 10.A O no hydrogen 2.989 N/A THR 15.A N MET 11.A O no hydrogen 2.939 N/A THR 15.A OG1 MET 11.A O no hydrogen 2.892 N/A GLU 16.A N ALA 12.A O no hydrogen 3.285 N/A ARG 17.A N GLU 13.A O no hydrogen 2.837 N/A LEU 18.A N HIS 14.A O no hydrogen 3.037 N/A LYS 19.A N THR 15.A O no hydrogen 3.044 N/A LYS 19.A NZ GLU 275.A OE2 no hydrogen 3.041 N/A ALA 20.A N GLU 16.A O no hydrogen 2.918 N/A ALA 20.A N ARG 17.A O no hydrogen 3.168 N/A SER 23.A N LYS 19.A O no hydrogen 2.859 N/A LEU 24.A N ALA 20.A O no hydrogen 3.196 N/A LEU 26.A N LEU 18.A O no hydrogen 3.148 N/A SER 27.A N SER 23.A O no hydrogen 3.050 N/A SER 27.A OG GLU 267.A OE2 no hydrogen 3.070 N/A GLN 28.A N LEU 24.A O no hydrogen 3.027 N/A GLU 29.A N LYS 25.A O no hydrogen 2.811 N/A TYR 30.A N LEU 26.A O no hydrogen 2.778 N/A TYR 30.A OH VAL 264.A O no hydrogen 2.662 N/A GLU 31.A N SER 27.A O no hydrogen 3.008 N/A SER 32.A N GLN 28.A O no hydrogen 3.256 N/A SER 32.A N GLU 29.A O no hydrogen 3.114 N/A SER 32.A OG GLU 29.A O no hydrogen 2.649 N/A SER 32.A OG TYR 250.A OH no hydrogen 2.987 N/A ILE 33.A N TYR 30.A O no hydrogen 3.121 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.790 N/A THR 40.A OG1 ASP 62.A OD2 no hydrogen 2.481 N/A GLU 42.A N ASP 62.A OD2 no hydrogen 2.872 N/A HIS 43.A N ASP 62.A OD1 no hydrogen 3.360 N/A HIS 43.A ND1 ASP 62.A OD1 no hydrogen 3.093 N/A SER 44.A OG ALA 60.A O no hydrogen 3.407 N/A SER 44.A OG TYR 79.A OH no hydrogen 2.809 N/A ASN 45.A N GLU 42.A O no hydrogen 3.069 N/A LEU 46.A N GLU 42.A O no hydrogen 3.105 N/A LEU 46.A N HIS 43.A O no hydrogen 3.213 N/A ASN 49.A N LEU 46.A O no hydrogen 2.779 N/A ASN 49.A ND2 HIS 43.A O no hydrogen 2.988 N/A LYS 50.A N LEU 46.A O no hydrogen 2.998 N/A LYS 52.A N ASN 49.A O no hydrogen 2.897 N/A LYS 52.A NZ ASN 49.A OD1 no hydrogen 2.820 N/A ASN 53.A N LYS 50.A O no hydrogen 3.041 N/A ASN 53.A ND2 SER 44.A O no hydrogen 2.969 N/A ARG 54.A N GLN 98.A OE1 no hydrogen 2.808 N/A ARG 54.A NE GLY 99.A O no hydrogen 2.878 N/A ARG 54.A NH2 GLY 99.A O no hydrogen 3.107 N/A ARG 54.A NH2 PRO 100.A O no hydrogen 2.808 N/A ARG 54.A NH2 ASP 135.A OD1 no hydrogen 2.972 N/A TYR 55.A OH SER 222.A OG no hydrogen 2.817 N/A ASN 57.A N ASN 57.A OD1 no hydrogen 2.680 N/A VAL 58.A N TYR 55.A O no hydrogen 3.076 N/A ILE 59.A N ASN 261.A OD1 no hydrogen 2.942 N/A ALA 60.A N SER 44.A OG no hydrogen 2.960 N/A ASP 62.A N THR 40.A O no hydrogen 2.780 N/A SER 64.A OG GLN 259.A O no hydrogen 2.623 N/A ARG 65.A N ASP 62.A O no hydrogen 3.396 N/A ARG 65.A NH1 ASP 78.A OD1 no hydrogen 3.491 N/A ARG 65.A NH2 ASP 78.A OD2 no hydrogen 2.871 N/A VAL 66.A N ALA 82.A O no hydrogen 3.150 N/A LEU 68.A N ASP 78.A O no hydrogen 2.879 N/A GLN 69.A N GLU 114.A OE1 no hydrogen 3.088 N/A GLN 69.A NE2 GLU 114.A OE1 no hydrogen 3.268 N/A ILE 71.A N SER 77.A OG no hydrogen 2.814 N/A ILE 74.A N ILE 71.A O no hydrogen 2.779 N/A SER 77.A N ILE 74.A O no hydrogen 3.316 N/A SER 77.A OG ILE 71.A O no hydrogen 3.324 N/A SER 77.A OG ILE 74.A O no hydrogen 2.473 N/A TYR 79.A N GLY 76.A O no hydrogen 3.095 N/A TYR 79.A OH SER 44.A OG no hydrogen 2.809 N/A TYR 79.A OH ASN 53.A OD1 no hydrogen 2.506 N/A ASN 81.A ND2 ASN 53.A OD1 no hydrogen 2.916 N/A ASN 81.A ND2 VAL 58.A O no hydrogen 2.890 N/A ASN 83.A N ALA 96.A O no hydrogen 2.931 N/A ASN 83.A ND2 TYR 61.A O no hydrogen 3.091 N/A TYR 84.A N SER 64.A O no hydrogen 3.012 N/A TYR 84.A OH GLN 115.A OE1 no hydrogen 2.713 N/A VAL 85.A N TYR 94.A O no hydrogen 2.976 N/A ASP 86.A N GLN 259.A OE1 no hydrogen 2.856 N/A GLY 87.A N ARG 90.A O no hydrogen 2.774 N/A TYR 88.A OH GLU 244.A OE2 no hydrogen 2.579 N/A ARG 89.A NE TYR 88.A OH no hydrogen 3.406 N/A ARG 89.A NH2 GLU 244.A OE2 no hydrogen 3.154 N/A ARG 90.A NH1 GLU 239.A OE1 no hydrogen 2.926 N/A ARG 90.A NH2 GLU 239.A OE1 no hydrogen 2.697 N/A ASN 92.A N ASP 86.A OD1 no hydrogen 2.958 N/A TYR 94.A N VAL 85.A O no hydrogen 3.089 N/A TYR 94.A OH ASP 235.A OD2 no hydrogen 2.354 N/A ILE 95.A N ILE 218.A O no hydrogen 2.847 N/A ALA 96.A N ASN 83.A O no hydrogen 2.824 N/A THR 97.A N VAL 220.A O no hydrogen 3.097 N/A THR 97.A OG1 ASN 81.A O no hydrogen 2.579 N/A GLN 98.A NE2 LYS 52.A O no hydrogen 2.679 N/A GLY 99.A N SER 222.A O no hydrogen 2.898 N/A LEU 101.A N THR 104.A OG1 no hydrogen 2.959 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.740 N/A THR 104.A N LEU 101.A O no hydrogen 2.716 N/A THR 104.A OG1 LEU 101.A O no hydrogen 3.349 N/A PHE 105.A N PRO 102.A O no hydrogen 3.409 N/A PHE 108.A N THR 104.A O no hydrogen 2.903 N/A TRP 109.A N PHE 105.A O no hydrogen 3.163 N/A TRP 109.A NE1 TYR 137.A O no hydrogen 2.653 N/A ARG 110.A N GLY 106.A O no hydrogen 2.893 N/A ARG 110.A NH1 GLN 69.A O no hydrogen 2.748 N/A ARG 110.A NH1 GLU 114.A OE2 no hydrogen 2.979 N/A ARG 110.A NH2 GLN 69.A O no hydrogen 3.252 N/A MET 111.A N ASP 107.A O no hydrogen 2.821 N/A VAL 112.A N PHE 108.A O no hydrogen 2.959 N/A TRP 113.A N TRP 109.A O no hydrogen 2.903 N/A GLU 114.A N ARG 110.A O no hydrogen 2.770 N/A GLN 115.A N MET 111.A O no hydrogen 2.892 N/A ARG 116.A N TRP 113.A O no hydrogen 3.297 N/A SER 117.A N VAL 112.A O no hydrogen 3.067 N/A SER 117.A OG PRO 217.A O no hydrogen 2.726 N/A THR 119.A OG1 ASN 211.A OD1 no hydrogen 2.634 N/A ILE 120.A N ARG 181.A O no hydrogen 2.868 N/A VAL 121.A N VAL 219.A O no hydrogen 2.693 N/A MET 122.A N PHE 183.A O no hydrogen 2.876 N/A MET 123.A N HIS 221.A O no hydrogen 2.776 N/A THR 124.A OG1 ARG 125.A O no hydrogen 2.834 N/A THR 124.A OG1 GLU 128.A OE2 no hydrogen 3.031 N/A ARG 125.A N GLU 128.A OE2 no hydrogen 3.034 N/A ARG 125.A NH1 ASP 190.A OD1 no hydrogen 3.206 N/A ARG 125.A NH2 ASP 190.A OD1 no hydrogen 3.180 N/A GLU 128.A N ARG 131.A O no hydrogen 2.940 N/A LYS 129.A NZ HIS 191.A NE2 no hydrogen 3.390 N/A ARG 131.A N GLU 128.A O no hydrogen 3.134 N/A ARG 131.A N LYS 129.A O no hydrogen 2.834 N/A ARG 131.A NH2 TYR 55.A OH no hydrogen 3.481 N/A LYS 133.A N LEU 126.A O no hydrogen 2.825 N/A LYS 133.A NZ GLU 128.A OE1 no hydrogen 3.129 N/A CYS 134.A N LEU 126.A O no hydrogen 3.270 N/A CYS 134.A SG ASP 135.A O no hydrogen 3.541 N/A GLN 136.A NE2 TRP 138.A O no hydrogen 2.674 N/A GLN 136.A NE2 ASN 140.A OD1 no hydrogen 3.258 N/A TYR 137.A OH HIS 221.A NE2 no hydrogen 2.756 N/A THR 143.A OG1 THR 152.A OG1 no hydrogen 2.739 N/A GLU 144.A N VAL 151.A O no hydrogen 3.029 N/A TYR 146.A N ILE 149.A O no hydrogen 2.808 N/A ILE 149.A N TYR 146.A O no hydrogen 2.924 N/A GLN 150.A N HIS 170.A O no hydrogen 2.891 N/A VAL 151.A N GLU 144.A O no hydrogen 2.890 N/A THR 152.A N SER 168.A O no hydrogen 2.795 N/A THR 152.A OG1 THR 143.A OG1 no hydrogen 2.739 N/A LEU 153.A N GLY 142.A O no hydrogen 2.839 N/A LEU 154.A N THR 166.A O no hydrogen 2.827 N/A ASP 155.A N THR 166.A O no hydrogen 3.370 N/A ILE 157.A N VAL 164.A O no hydrogen 2.998 N/A LEU 159.A N PHE 162.A O no hydrogen 2.840 N/A ALA 160.A N TYR 368.A O no hydrogen 3.075 N/A ALA 163.A N GLN 184.A O no hydrogen 2.922 N/A VAL 164.A N ILE 157.A O no hydrogen 2.829 N/A ARG 165.A N GLN 182.A O no hydrogen 2.827 N/A ARG 165.A NH1 GLN 182.A OE1 no hydrogen 2.739 N/A ARG 165.A NH1 GLN 184.A OE1 no hydrogen 2.792 N/A ARG 165.A NH2 GLN 184.A OE1 no hydrogen 3.396 N/A THR 166.A N ASP 155.A O no hydrogen 2.821 N/A PHE 167.A N VAL 180.A O no hydrogen 2.874 N/A SER 168.A N THR 152.A O no hydrogen 2.890 N/A LEU 169.A N ARG 178.A O no hydrogen 2.845 N/A HIS 170.A N GLN 150.A O no hydrogen 3.019 N/A HIS 170.A ND1 GLN 150.A OE1 no hydrogen 2.544 N/A SER 174.A OG LYS 171.A O no hydrogen 3.531 N/A ARG 178.A N LEU 169.A O no hydrogen 2.838 N/A ARG 178.A NE GLU 176.A OE2 no hydrogen 2.702 N/A ARG 178.A NH1 TRP 113.A O no hydrogen 2.418 N/A ARG 178.A NH2 GLU 176.A OE1 no hydrogen 3.025 N/A ARG 178.A NH2 GLU 176.A OE2 no hydrogen 3.287 N/A VAL 180.A N PHE 167.A O no hydrogen 2.927 N/A ARG 181.A N ALA 118.A O no hydrogen 2.853 N/A ARG 181.A NH1 GLU 179.A OE2 no hydrogen 2.682 N/A ARG 181.A NH2 GLU 179.A OE2 no hydrogen 3.125 N/A GLN 182.A N ARG 165.A O no hydrogen 2.830 N/A GLN 182.A NE2 TYR 137.A OH no hydrogen 2.811 N/A PHE 183.A N ILE 120.A O no hydrogen 2.775 N/A GLN 184.A N ALA 163.A O no hydrogen 2.817 N/A GLN 184.A NE2 THR 124.A O no hydrogen 3.014 N/A PHE 185.A N MET 122.A O no hydrogen 2.958 N/A THR 186.A N THR 161.A O no hydrogen 2.878 N/A TRP 188.A NE1 GLY 192.A O no hydrogen 3.145 N/A THR 198.A OG1 GLU 279.A OE1 no hydrogen 3.312 N/A THR 198.A OG1 GLU 279.A OE2 no hydrogen 2.509 N/A LEU 201.A N PRO 197.A O no hydrogen 2.753 N/A ALA 202.A N THR 198.A O no hydrogen 3.087 N/A PHE 203.A N PRO 199.A O no hydrogen 2.865 N/A LEU 204.A N PHE 200.A O no hydrogen 2.679 N/A ARG 205.A N LEU 201.A O no hydrogen 2.920 N/A ARG 206.A N ALA 202.A O no hydrogen 3.036 N/A VAL 207.A N PHE 203.A O no hydrogen 3.118 N/A LYS 208.A N LEU 204.A O no hydrogen 2.987 N/A LYS 208.A NZ ASP 235.A OD1 no hydrogen 2.996 N/A THR 209.A N ARG 205.A O no hydrogen 3.089 N/A THR 209.A OG1 ARG 205.A O no hydrogen 3.560 N/A THR 209.A OG1 ARG 206.A O no hydrogen 2.873 N/A ALA 210.A N ARG 206.A O no hydrogen 3.061 N/A ASN 211.A N VAL 207.A O no hydrogen 2.943 N/A ALA 215.A N PRO 212.A O no hydrogen 3.214 N/A GLY 216.A N ARG 116.A O no hydrogen 2.747 N/A ILE 218.A N ALA 93.A O no hydrogen 3.127 N/A VAL 219.A N THR 119.A O no hydrogen 2.981 N/A VAL 220.A N ILE 95.A O no hydrogen 2.753 N/A HIS 221.A N VAL 121.A O no hydrogen 2.914 N/A HIS 221.A NE2 TYR 137.A OH no hydrogen 2.756 N/A SER 222.A OG TYR 55.A OH no hydrogen 2.817 N/A SER 222.A OG LYS 133.A O no hydrogen 2.813 N/A ARG 227.A NH1 MET 123.A O no hydrogen 3.039 N/A ARG 227.A NH1 GLU 128.A OE2 no hydrogen 2.834 N/A ARG 227.A NH2 GLU 128.A OE1 no hydrogen 2.594 N/A GLY 229.A N VAL 225.A O no hydrogen 3.302 N/A ALA 230.A N GLY 226.A O no hydrogen 3.087 N/A PHE 231.A N ARG 227.A O no hydrogen 2.958 N/A ILE 232.A N THR 228.A O no hydrogen 3.113 N/A VAL 233.A N GLY 229.A O no hydrogen 3.032 N/A ILE 234.A N ALA 230.A O no hydrogen 3.076 N/A ASP 235.A N PHE 231.A O no hydrogen 3.085 N/A ALA 236.A N ILE 232.A O no hydrogen 2.906 N/A MET 237.A N VAL 233.A O no hydrogen 2.857 N/A LEU 238.A N ILE 234.A O no hydrogen 2.956 N/A GLU 239.A N ASP 235.A O no hydrogen 2.971 N/A ARG 240.A N ALA 236.A O no hydrogen 2.883 N/A ARG 240.A NE THR 246.A O no hydrogen 3.185 N/A ARG 240.A NH2 THR 246.A OG1 no hydrogen 3.185 N/A ILE 241.A N MET 237.A O no hydrogen 3.096 N/A LYS 242.A N GLU 239.A O no hydrogen 3.168 N/A LYS 242.A NZ GLU 239.A OE2 no hydrogen 3.347 N/A GLU 244.A N ARG 240.A O no hydrogen 3.117 N/A LYS 245.A NZ ILE 241.A O no hydrogen 2.872 N/A LYS 245.A NZ LYS 242.A O no hydrogen 3.078 N/A VAL 247.A N ILE 6.A O no hydrogen 2.790 N/A TYR 250.A OH SER 32.A OG no hydrogen 2.987 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 2.840 N/A HIS 252.A N ASP 248.A O no hydrogen 2.965 N/A VAL 253.A N VAL 249.A O no hydrogen 2.813 N/A THR 254.A N TYR 250.A O no hydrogen 2.981 N/A THR 254.A OG1 TYR 250.A O no hydrogen 2.873 N/A LEU 255.A N GLY 251.A O no hydrogen 3.061 N/A MET 256.A N HIS 252.A O no hydrogen 2.845 N/A ARG 257.A N VAL 253.A O no hydrogen 2.924 N/A ARG 257.A N THR 254.A O no hydrogen 3.257 N/A ARG 257.A NE MET 263.A O no hydrogen 2.658 N/A ARG 257.A NH2 MET 263.A O no hydrogen 3.265 N/A ARG 257.A NH2 VAL 264.A O no hydrogen 2.936 N/A SER 258.A N LEU 255.A O no hydrogen 3.125 N/A SER 258.A OG LEU 255.A O no hydrogen 2.843 N/A GLN 259.A N MET 256.A O no hydrogen 2.912 N/A GLN 259.A NE2 ASP 86.A OD1 no hydrogen 3.146 N/A ARG 260.A N MET 256.A O no hydrogen 2.973 N/A ARG 260.A NE GLY 224.A O no hydrogen 3.013 N/A ARG 260.A NH1 ASN 81.A OD1 no hydrogen 2.937 N/A ARG 260.A NH1 ASN 83.A OD1 no hydrogen 2.701 N/A ARG 260.A NH2 ASN 81.A OD1 no hydrogen 2.955 N/A ARG 260.A NH2 ALA 223.A O no hydrogen 2.975 N/A ASN 261.A ND2 ASN 261.A O no hydrogen 2.776 N/A TYR 262.A OH ASN 57.A O no hydrogen 3.053 N/A VAL 264.A N VAL 225.A O no hydrogen 2.937 N/A GLN 265.A N GLN 269.A OE1 no hydrogen 2.716 N/A THR 266.A N GLN 269.A OE1 no hydrogen 3.175 N/A GLN 269.A N THR 266.A OG1 no hydrogen 2.933 N/A TYR 270.A N THR 266.A O no hydrogen 3.092 N/A TYR 270.A OH GLU 29.A OE2 no hydrogen 2.591 N/A SER 271.A N GLU 267.A O no hydrogen 2.735 N/A SER 271.A OG GLU 275.A OE2 no hydrogen 2.860 N/A PHE 272.A N ASP 268.A O no hydrogen 2.774 N/A ILE 273.A N GLN 269.A O no hydrogen 2.990 N/A HIS 274.A ND1 TYR 270.A O no hydrogen 2.851 N/A GLU 275.A N SER 271.A O no hydrogen 3.006 N/A ALA 276.A N PHE 272.A O no hydrogen 2.883 N/A LEU 277.A N ILE 273.A O no hydrogen 3.017 N/A LEU 278.A N HIS 274.A O no hydrogen 2.889 N/A GLU 279.A N GLU 275.A O no hydrogen 2.980 N/A ALA 280.A N ALA 276.A O no hydrogen 2.931 N/A VAL 281.A N LEU 277.A O no hydrogen 3.137 N/A GLY 282.A N LEU 278.A O no hydrogen 3.395 N/A ASN 285.A ND2 GLU 287.A O no hydrogen 3.484 N/A THR 286.A OG1 ASP 531.A OD1 no hydrogen 2.532 N/A THR 286.A OG1 ASP 531.A OD2 no hydrogen 3.261 N/A GLU 287.A N ASN 285.A OD1 no hydrogen 2.866 N/A VAL 288.A N VAL 530.A O no hydrogen 2.743 N/A ALA 290.A N GLY 528.A O no hydrogen 2.909 N/A SER 292.A N PRO 289.A O no hydrogen 2.706 N/A LEU 293.A N ALA 290.A O no hydrogen 3.171 N/A TYR 296.A N SER 292.A O no hydrogen 2.849 N/A TYR 296.A OH GLU 315.A OE1 no hydrogen 2.761 N/A ILE 297.A N LEU 293.A O no hydrogen 2.736 N/A GLN 298.A N TYR 294.A O no hydrogen 2.715 N/A LYS 299.A N ALA 295.A O no hydrogen 2.933 N/A LEU 300.A N TYR 296.A O no hydrogen 2.881 N/A ALA 301.A N ILE 297.A O no hydrogen 2.801 N/A GLN 302.A N LYS 299.A O no hydrogen 3.274 N/A GLU 307.A N GLU 304.A O no hydrogen 3.170 N/A GLY 311.A N GLN 302.A O no hydrogen 3.086 N/A MET 312.A N LEU 300.A O no hydrogen 2.831 N/A GLU 313.A N THR 310.A O no hydrogen 3.088 N/A LEU 314.A N THR 310.A O no hydrogen 2.978 N/A GLU 315.A N GLY 311.A O no hydrogen 2.868 N/A PHE 316.A N MET 312.A O no hydrogen 3.291 N/A LYS 317.A N GLU 313.A O no hydrogen 2.941 N/A LYS 317.A NZ GLU 313.A OE2 no hydrogen 2.655 N/A ARG 318.A N LEU 314.A O no hydrogen 3.213 N/A ARG 318.A N GLU 315.A O no hydrogen 3.237 N/A LEU 319.A N PHE 316.A O no hydrogen 3.102 N/A ALA 320.A N LYS 317.A O no hydrogen 3.164 N/A SER 323.A N GLU 342.A OE1 no hydrogen 2.958 N/A SER 323.A OG GLU 342.A OE1 no hydrogen 3.416 N/A SER 323.A OG GLU 342.A OE2 no hydrogen 2.506 N/A ASN 325.A N ILE 322.A O no hydrogen 3.158 N/A ASN 325.A ND2 PHE 321.A O no hydrogen 3.243 N/A LEU 326.A N SER 323.A O no hydrogen 2.922 N/A ASN 329.A N LEU 326.A O no hydrogen 2.750 N/A ASN 329.A ND2 SER 323.A O no hydrogen 2.981 N/A LYS 332.A N ASN 329.A O no hydrogen 2.891 N/A LYS 332.A NZ ASN 329.A OD1 no hydrogen 3.039 N/A LYS 332.A NZ GLY 356.A O no hydrogen 2.875 N/A ASN 333.A ND2 ALA 324.A O no hydrogen 3.072 N/A ARG 334.A N GLN 378.A OE1 no hydrogen 2.932 N/A ARG 334.A NE GLY 379.A O no hydrogen 3.135 N/A ARG 334.A NH2 GLY 379.A O no hydrogen 3.074 N/A ARG 334.A NH2 PRO 380.A O no hydrogen 2.961 N/A ILE 338.A N LEU 335.A O no hydrogen 3.129 N/A TYR 341.A OH ARG 540.A O no hydrogen 2.769 N/A SER 343.A OG GLU 195.A OE1 no hydrogen 2.607 N/A THR 344.A OG1 GLN 542.A O no hydrogen 2.740 N/A ARG 345.A NH1 GLU 342.A OE2 no hydrogen 3.244 N/A ARG 345.A NH1 ASP 358.A OD2 no hydrogen 3.477 N/A ARG 345.A NH2 ASP 358.A OD2 no hydrogen 3.298 N/A VAL 346.A N ALA 362.A O no hydrogen 3.136 N/A LEU 348.A N ASP 358.A O no hydrogen 2.634 N/A GLN 349.A N GLU 394.A OE1 no hydrogen 2.710 N/A ILE 351.A N SER 357.A OG no hydrogen 3.126 N/A VAL 354.A N ILE 351.A O no hydrogen 3.278 N/A SER 357.A N VAL 354.A O no hydrogen 3.397 N/A SER 357.A OG ILE 351.A O no hydrogen 3.520 N/A SER 357.A OG VAL 354.A O no hydrogen 2.882 N/A TYR 359.A N GLY 356.A O no hydrogen 3.094 N/A TYR 359.A OH ASN 333.A OD1 no hydrogen 2.354 N/A ASN 361.A ND2 ASN 333.A OD1 no hydrogen 2.854 N/A ASN 361.A ND2 ILE 338.A O no hydrogen 2.730 N/A SER 363.A N ALA 376.A O no hydrogen 2.853 N/A PHE 364.A N THR 344.A O no hydrogen 2.688 N/A ILE 365.A N TYR 374.A O no hydrogen 2.853 N/A ASP 366.A N GLN 542.A OE1 no hydrogen 2.644 N/A GLY 367.A N GLN 370.A O no hydrogen 2.807 N/A TYR 368.A OH GLU 527.A OE2 no hydrogen 2.401 N/A ARG 369.A NE GLU 522.A OE2 no hydrogen 2.958 N/A LYS 372.A N ASP 366.A OD1 no hydrogen 3.011 N/A TYR 374.A N ILE 365.A O no hydrogen 2.914 N/A ILE 375.A N ILE 500.A O no hydrogen 2.975 N/A ALA 376.A N SER 363.A O no hydrogen 2.928 N/A THR 377.A N VAL 502.A O no hydrogen 3.012 N/A THR 377.A OG1 ASN 361.A O no hydrogen 2.557 N/A GLN 378.A N ASN 361.A O no hydrogen 3.477 N/A GLN 378.A NE2 LYS 332.A O no hydrogen 3.003 N/A GLY 379.A N SER 505.A O no hydrogen 2.798 N/A LEU 381.A N THR 384.A OG1 no hydrogen 2.843 N/A GLU 383.A N GLU 383.A OE1 no hydrogen 2.473 N/A THR 384.A N LEU 381.A O no hydrogen 2.930 N/A THR 384.A OG1 LEU 381.A O no hydrogen 3.299 N/A THR 385.A OG1 LEU 381.A O no hydrogen 2.710 N/A THR 385.A OG1 ALA 382.A O no hydrogen 3.354 N/A THR 385.A OG1 HIS 415.A ND1 no hydrogen 3.215 N/A PHE 388.A N THR 384.A O no hydrogen 2.851 N/A TRP 389.A N THR 385.A O no hydrogen 3.180 N/A TRP 389.A NE1 TYR 417.A O no hydrogen 2.734 N/A ARG 390.A N GLU 386.A O no hydrogen 3.194 N/A ARG 390.A NH1 GLN 349.A O no hydrogen 2.649 N/A ARG 390.A NH1 GLU 394.A OE2 no hydrogen 2.782 N/A ARG 390.A NH2 SER 357.A O no hydrogen 2.890 N/A MET 391.A N ASP 387.A O no hydrogen 2.795 N/A LEU 392.A N PHE 388.A O no hydrogen 2.959 N/A TRP 393.A N TRP 389.A O no hydrogen 3.132 N/A GLU 394.A N ARG 390.A O no hydrogen 2.698 N/A ASN 395.A N MET 391.A O no hydrogen 3.010 N/A ASN 395.A N LEU 392.A O no hydrogen 3.195 N/A ASN 395.A ND2 MET 391.A O no hydrogen 2.866 N/A ASN 396.A N TRP 393.A O no hydrogen 3.122 N/A SER 397.A N LEU 392.A O no hydrogen 3.008 N/A SER 397.A OG PRO 499.A O no hydrogen 2.769 N/A SER 397.A OG SER 501.A OG no hydrogen 2.647 N/A VAL 400.A N ARG 461.A O no hydrogen 2.924 N/A VAL 401.A N SER 501.A O no hydrogen 2.811 N/A MET 402.A N PHE 463.A O no hydrogen 2.679 N/A LEU 403.A N HIS 503.A O no hydrogen 2.916 N/A THR 404.A OG1 LYS 405.A O no hydrogen 2.817 N/A THR 404.A OG1 GLU 408.A OE2 no hydrogen 3.270 N/A LYS 405.A N GLU 408.A OE2 no hydrogen 2.891 N/A LYS 405.A NZ THR 466.A O no hydrogen 3.557 N/A GLU 408.A N ARG 411.A O no hydrogen 2.937 N/A MET 409.A N GLU 470.A OE1 no hydrogen 2.779 N/A ARG 411.A N GLU 408.A O no hydrogen 2.682 N/A LYS 413.A N LEU 406.A O no hydrogen 2.766 N/A CYS 414.A N LEU 406.A O no hydrogen 3.118 N/A CYS 414.A SG HIS 415.A O no hydrogen 3.441 N/A HIS 415.A N PRO 380.A O no hydrogen 3.238 N/A GLN 416.A NE2 TRP 418.A O no hydrogen 3.139 N/A TYR 417.A OH HIS 503.A NE2 no hydrogen 2.788 N/A SER 423.A OG ASP 432.A OD1 no hydrogen 2.636 N/A ALA 424.A N VAL 431.A O no hydrogen 3.174 N/A ARG 425.A NH1 GLN 427.A O no hydrogen 2.379 N/A TYR 426.A N PHE 429.A O no hydrogen 2.862 N/A PHE 429.A N TYR 426.A O no hydrogen 3.245 N/A VAL 430.A N THR 450.A O no hydrogen 2.717 N/A VAL 431.A N ALA 424.A O no hydrogen 2.933 N/A ASP 432.A N LYS 448.A O no hydrogen 2.641 N/A MET 434.A N GLU 446.A O no hydrogen 2.802 N/A ALA 435.A N GLU 446.A O no hydrogen 3.385 N/A TYR 437.A N LEU 444.A O no hydrogen 2.789 N/A MET 439.A N TYR 442.A O no hydrogen 2.813 N/A ILE 443.A N GLN 464.A O no hydrogen 2.762 N/A LEU 444.A N TYR 437.A O no hydrogen 2.837 N/A ARG 445.A N GLN 462.A O no hydrogen 2.832 N/A ARG 445.A NH1 GLN 462.A OE1 no hydrogen 2.893 N/A ARG 445.A NH1 GLN 464.A OE1 no hydrogen 2.824 N/A ARG 445.A NH2 GLN 464.A OE1 no hydrogen 2.963 N/A GLU 446.A N ALA 435.A O no hydrogen 2.955 N/A PHE 447.A N VAL 460.A O no hydrogen 2.804 N/A LYS 448.A N ASP 432.A O no hydrogen 2.826 N/A LYS 448.A NZ GLU 446.A OE2 no hydrogen 2.969 N/A VAL 449.A N ARG 458.A O no hydrogen 2.870 N/A THR 450.A N VAL 430.A O no hydrogen 2.599 N/A ASP 451.A N GLN 456.A O no hydrogen 2.613 N/A ALA 452.A N TYR 428.A O no hydrogen 2.581 N/A ARG 453.A NE ASP 451.A OD1 no hydrogen 2.994 N/A ARG 453.A NH2 ASP 451.A OD2 no hydrogen 3.112 N/A GLY 455.A N ALA 452.A O no hydrogen 3.452 N/A GLN 456.A N ASP 454.A OD1 no hydrogen 2.877 N/A SER 457.A OG VAL 449.A O no hydrogen 3.307 N/A ARG 458.A N VAL 449.A O no hydrogen 2.855 N/A ARG 458.A NH1 TRP 393.A O no hydrogen 2.738 N/A VAL 460.A N PHE 447.A O no hydrogen 2.869 N/A ARG 461.A N THR 398.A O no hydrogen 2.929 N/A ARG 461.A NE GLU 446.A OE1 no hydrogen 3.301 N/A ARG 461.A NH2 GLU 446.A OE1 no hydrogen 2.893 N/A GLN 462.A N ARG 445.A O no hydrogen 2.738 N/A GLN 462.A NE2 TYR 417.A OH no hydrogen 2.801 N/A PHE 463.A N VAL 400.A O no hydrogen 2.689 N/A GLN 464.A N ILE 443.A O no hydrogen 2.813 N/A GLN 464.A NE2 THR 404.A O no hydrogen 2.966 N/A PHE 465.A N MET 402.A O no hydrogen 2.907 N/A THR 466.A N GLN 441.A O no hydrogen 2.684 N/A THR 466.A OG1 GLN 441.A O no hydrogen 3.002 N/A TRP 468.A NE1 GLY 472.A O no hydrogen 2.972 N/A SER 476.A OG GLU 562.A OE1 no hydrogen 2.567 N/A GLY 477.A N GLU 562.A OE1 no hydrogen 3.090 N/A GLY 477.A N GLU 562.A OE2 no hydrogen 2.897 N/A GLU 478.A N SER 476.A OG no hydrogen 3.297 N/A ILE 481.A N GLY 477.A O no hydrogen 2.903 N/A ASP 482.A N GLU 478.A O no hydrogen 2.961 N/A PHE 483.A N GLY 479.A O no hydrogen 2.753 N/A ILE 484.A N PHE 480.A O no hydrogen 2.878 N/A GLY 485.A N ILE 481.A O no hydrogen 2.964 N/A GLN 486.A N ASP 482.A O no hydrogen 2.852 N/A GLN 486.A NE2 ASP 482.A OD1 no hydrogen 3.392 N/A VAL 487.A N PHE 483.A O no hydrogen 2.928 N/A HIS 488.A N ILE 484.A O no hydrogen 3.021 N/A HIS 488.A NE2 SER 518.A OG no hydrogen 3.036 N/A LYS 489.A N GLY 485.A O no hydrogen 2.788 N/A THR 490.A N GLN 486.A O no hydrogen 2.967 N/A THR 490.A OG1 GLN 486.A O no hydrogen 3.090 N/A LYS 491.A N VAL 487.A O no hydrogen 2.909 N/A LYS 491.A NZ ASP 497.A O no hydrogen 3.490 N/A GLU 492.A N HIS 488.A O no hydrogen 3.058 N/A GLN 493.A N LYS 489.A O no hydrogen 2.777 N/A PHE 494.A N THR 490.A O no hydrogen 3.449 N/A GLY 495.A N GLU 492.A O no hydrogen 2.686 N/A GLN 496.A N LYS 491.A O no hydrogen 3.200 N/A GLN 496.A NE2 LYS 491.A O no hydrogen 2.964 N/A ILE 500.A N ALA 373.A O no hydrogen 3.040 N/A SER 501.A N ILE 399.A O no hydrogen 2.889 N/A SER 501.A OG SER 397.A OG no hydrogen 2.647 N/A VAL 502.A N ILE 375.A O no hydrogen 2.720 N/A HIS 503.A N VAL 401.A O no hydrogen 2.950 N/A HIS 503.A ND1 CYS 504.A O no hydrogen 3.043 N/A HIS 503.A NE2 TYR 417.A OH no hydrogen 2.788 N/A CYS 504.A SG THR 511.A OG1 no hydrogen 3.387 N/A SER 505.A OG LYS 413.A O no hydrogen 2.855 N/A ARG 510.A NH1 LEU 403.A O no hydrogen 3.005 N/A ARG 510.A NH1 GLU 408.A OE1 no hydrogen 3.335 N/A ARG 510.A NH1 GLU 408.A OE2 no hydrogen 3.152 N/A ARG 510.A NH2 GLU 408.A OE1 no hydrogen 3.055 N/A GLY 512.A N VAL 508.A O no hydrogen 2.836 N/A VAL 513.A N GLY 509.A O no hydrogen 3.017 N/A PHE 514.A N ARG 510.A O no hydrogen 2.792 N/A ILE 515.A N THR 511.A O no hydrogen 3.012 N/A THR 516.A N GLY 512.A O no hydrogen 2.680 N/A THR 516.A OG1 GLY 512.A O no hydrogen 2.627 N/A LEU 517.A N VAL 513.A O no hydrogen 2.911 N/A SER 518.A N PHE 514.A O no hydrogen 2.927 N/A SER 518.A OG HIS 488.A NE2 no hydrogen 3.036 N/A SER 518.A OG PHE 514.A O no hydrogen 2.912 N/A ILE 519.A N ILE 515.A O no hydrogen 3.061 N/A VAL 520.A N THR 516.A O no hydrogen 2.899 N/A LEU 521.A N LEU 517.A O no hydrogen 2.918 N/A ARG 523.A N ILE 519.A O no hydrogen 2.949 N/A ARG 523.A NE GLU 527.A OE1 no hydrogen 3.032 N/A ARG 523.A NE GLU 527.A OE2 no hydrogen 3.246 N/A ARG 523.A NH2 GLU 527.A OE1 no hydrogen 2.995 N/A MET 524.A N VAL 520.A O no hydrogen 2.826 N/A ARG 525.A N LEU 521.A O no hydrogen 3.050 N/A ARG 525.A NH2 TYR 526.A OH no hydrogen 3.280 N/A TYR 526.A N GLU 522.A O no hydrogen 2.966 N/A GLU 527.A N ARG 523.A O no hydrogen 2.618 N/A GLY 528.A N MET 524.A O no hydrogen 2.913 N/A VAL 530.A N VAL 288.A O no hydrogen 2.631 N/A GLN 534.A N ASP 531.A OD1 no hydrogen 3.001 N/A THR 535.A N ASP 531.A O no hydrogen 3.364 N/A THR 535.A OG1 ASP 531.A O no hydrogen 2.567 N/A VAL 536.A N ILE 532.A O no hydrogen 2.975 N/A LYS 537.A N PHE 533.A O no hydrogen 2.860 N/A MET 538.A N GLN 534.A O no hydrogen 2.839 N/A LEU 539.A N THR 535.A O no hydrogen 2.981 N/A ARG 540.A N VAL 536.A O no hydrogen 2.829 N/A ARG 540.A NE MET 546.A O no hydrogen 3.013 N/A ARG 540.A NH2 MET 546.A O no hydrogen 3.568 N/A ARG 540.A NH2 VAL 547.A O no hydrogen 3.146 N/A THR 541.A N MET 538.A O no hydrogen 2.747 N/A THR 541.A OG1 MET 538.A O no hydrogen 2.601 N/A GLN 542.A N LEU 539.A O no hydrogen 2.823 N/A GLN 542.A NE2 MET 538.A O no hydrogen 3.176 N/A ARG 543.A N LEU 539.A O no hydrogen 2.915 N/A ARG 543.A NE GLY 507.A O no hydrogen 3.153 N/A ARG 543.A NH1 ASN 361.A OD1 no hydrogen 3.098 N/A ARG 543.A NH1 SER 363.A OG no hydrogen 2.888 N/A ARG 543.A NH2 ASN 361.A OD1 no hydrogen 2.695 N/A ARG 543.A NH2 ALA 506.A O no hydrogen 3.185 N/A VAL 547.A N VAL 508.A O no hydrogen 3.057 N/A THR 549.A N GLU 552.A OE1 no hydrogen 3.229 N/A GLU 550.A N GLU 550.A OE1 no hydrogen 2.692 N/A GLU 552.A N THR 549.A OG1 no hydrogen 3.122 N/A TYR 553.A N THR 549.A O no hydrogen 2.927 N/A TYR 553.A OH GLU 315.A OE2 no hydrogen 2.422 N/A GLN 554.A N GLU 550.A O no hydrogen 2.639 N/A PHE 555.A N ASP 551.A O no hydrogen 2.728 N/A ALA 556.A N GLU 552.A O no hydrogen 3.270 N/A TYR 557.A N TYR 553.A O no hydrogen 3.379 N/A TYR 557.A OH GLU 315.A OE2 no hydrogen 2.609 N/A GLN 558.A N GLN 554.A O no hydrogen 2.906 N/A ALA 559.A N PHE 555.A O no hydrogen 2.735 N/A ALA 560.A N ALA 556.A O no hydrogen 2.852 N/A LEU 561.A N TYR 557.A O no hydrogen 2.745 N/A GLU 562.A N GLN 558.A O no hydrogen 2.837 N/A TYR 563.A N ALA 559.A O no hydrogen 2.741 N/A LEU 564.A N ALA 560.A O no hydrogen 3.016 N/A GLY 565.A N LEU 561.A O no hydrogen 3.088 N/A SER 566.A N TYR 563.A O no hydrogen 3.291 N/A SER 566.A OG TYR 563.A O no hydrogen 2.814 N/A