Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x0q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N HIS 1.A ND1 no hydrogen 3.114 N/A GLU 4.A N HIS 1.A O no hydrogen 3.033 N/A VAL 6.A N ALA 3.A O no hydrogen 3.173 N/A ALA 7.A N GLU 4.A O no hydrogen 3.030 N/A HIS 8.A NE2 HIS 123.A ND1 no hydrogen 2.916 N/A LEU 9.A N VAL 6.A O no hydrogen 2.951 N/A TRP 14.A N GLN 10.A O no hydrogen 2.954 N/A ASN 15.A N PRO 11.A O no hydrogen 2.967 N/A LYS 16.A N GLU 12.A O no hydrogen 3.054 N/A LYS 16.A NZ HIS 129.A ND1 no hydrogen 3.043 N/A LYS 16.A NZ PRO 396.A O no hydrogen 2.715 N/A VAL 17.A N ILE 13.A O no hydrogen 3.047 N/A ASN 18.A N TRP 14.A O no hydrogen 3.021 N/A ASN 18.A ND2 TRP 14.A O no hydrogen 2.764 N/A ARG 19.A N ASN 15.A O no hydrogen 3.045 N/A ARG 19.A NH2 PRO 77.A O no hydrogen 2.825 N/A ARG 19.A NH2 ILE 80.A O no hydrogen 2.926 N/A LEU 20.A N LYS 16.A O no hydrogen 3.131 N/A LEU 21.A N VAL 17.A O no hydrogen 2.958 N/A VAL 22.A N ASN 18.A O no hydrogen 2.865 N/A ARG 23.A N ARG 19.A O no hydrogen 3.071 N/A ARG 23.A NH2 ILE 75.A O no hydrogen 2.870 N/A LYS 24.A N LEU 20.A O no hydrogen 3.136 N/A LYS 24.A NZ GLU 153.A OE1 no hydrogen 2.728 N/A LYS 24.A NZ HIS 155.A O no hydrogen 2.876 N/A LYS 24.A NZ PHE 158.A O no hydrogen 2.842 N/A ALA 25.A N LEU 21.A O no hydrogen 2.835 N/A ILE 26.A N VAL 22.A O no hydrogen 2.836 N/A SER 27.A N ARG 23.A O no hydrogen 2.967 N/A SER 27.A OG TRP 73.A O no hydrogen 2.668 N/A GLU 28.A N LYS 24.A O no hydrogen 2.781 N/A TYR 29.A N ALA 25.A O no hydrogen 2.814 N/A TYR 29.A OH TYR 114.A OH no hydrogen 2.649 N/A ALA 30.A N ILE 26.A O no hydrogen 3.045 N/A HIS 31.A N SER 27.A O no hydrogen 3.035 N/A HIS 31.A ND1 ARG 71.A O no hydrogen 2.937 N/A HIS 31.A NE2 GLU 502.A OE1 no hydrogen 2.727 N/A GLU 32.A N GLU 28.A O no hydrogen 3.156 N/A TRP 33.A N ALA 30.A O no hydrogen 2.947 N/A LEU 34.A N TYR 29.A O no hydrogen 2.883 N/A LEU 35.A N TYR 29.A O no hydrogen 3.303 N/A GLN 38.A N ARG 52.A O no hydrogen 2.805 N/A ARG 39.A NE GLU 49.A OE1 no hydrogen 2.875 N/A ARG 39.A NH2 GLU 49.A OE1 no hydrogen 2.789 N/A LEU 40.A N ARG 50.A O no hydrogen 2.710 N/A GLY 43.A N PHE 48.A O no hydrogen 2.735 N/A GLU 44.A N ASP 64.A OD1 no hydrogen 2.965 N/A GLU 44.A N ASP 64.A OD2 no hydrogen 3.108 N/A THR 45.A OG1 ASP 64.A OD2 no hydrogen 2.592 N/A PHE 48.A N THR 45.A O no hydrogen 3.003 N/A GLU 49.A N ALA 65.A O no hydrogen 2.873 N/A ARG 50.A N GLY 41.A O no hydrogen 2.672 N/A ARG 50.A NH1 ASP 64.A OD1 no hydrogen 2.923 N/A ARG 50.A NH1 SER 79.A O no hydrogen 3.141 N/A ARG 50.A NH2 SER 79.A O no hydrogen 3.456 N/A PHE 51.A N PHE 63.A O no hydrogen 2.820 N/A ARG 52.A N GLN 38.A O no hydrogen 2.750 N/A ARG 52.A NE ASP 62.A OD1 no hydrogen 2.887 N/A ARG 52.A NH2 ASP 62.A OD2 no hydrogen 2.958 N/A LEU 53.A N TYR 61.A O no hydrogen 2.749 N/A LEU 55.A N ALA 59.A O no hydrogen 2.949 N/A GLY 58.A N LEU 55.A O no hydrogen 3.266 N/A ALA 59.A N ASP 57.A OD2.B no hydrogen 2.960 N/A GLN 60.A N THR 83.A O no hydrogen 2.861 N/A TYR 61.A N LEU 53.A O no hydrogen 2.895 N/A TYR 61.A OH GLU 99.A OE1 no hydrogen 2.559 N/A ASP 62.A N VAL 81.A O no hydrogen 2.992 N/A PHE 63.A N PHE 51.A O no hydrogen 3.007 N/A ASP 64.A N SER 79.A OG no hydrogen 3.007 N/A ALA 65.A N GLU 49.A O no hydrogen 2.880 N/A GLN 66.A N ARG 74.A O no hydrogen 2.956 N/A GLN 66.A NE2 GLY 47.A O no hydrogen 2.918 N/A MET 68.A N HIS 72.A O no hydrogen 2.673 N/A ALA 69.A N GLU 520.A OE1 no hydrogen 2.950 N/A ARG 71.A NE ALA 30.A O no hydrogen 2.741 N/A ARG 71.A NH2 ALA 30.A O no hydrogen 2.872 N/A ARG 71.A NH2 LEU 35.A O no hydrogen 3.347 N/A HIS 72.A N MET 68.A O no hydrogen 3.368 N/A HIS 72.A NE2 GLN 510.A OE1 no hydrogen 2.678 N/A ARG 74.A N GLN 66.A O no hydrogen 2.891 N/A ARG 74.A NE GLU 514.A OE1 no hydrogen 3.428 N/A ARG 74.A NH2 GLN 66.A OE1 no hydrogen 3.031 N/A SER 79.A N PRO 76.A O no hydrogen 3.015 N/A SER 79.A OG PRO 76.A O no hydrogen 2.763 N/A ILE 80.A N PRO 77.A O no hydrogen 3.449 N/A VAL 81.A N ASP 62.A O no hydrogen 2.764 N/A LYS 82.A NZ TYR 61.A OH no hydrogen 3.202 N/A LYS 82.A NZ GLN 95.A OE1 no hydrogen 2.949 N/A LYS 82.A NZ GLU 99.A OE2 no hydrogen 2.861 N/A THR 83.A N GLN 60.A O no hydrogen 2.975 N/A THR 83.A OG1 GLN 60.A OE1 no hydrogen 3.550 N/A VAL 84.A N VAL 87.A O no hydrogen 2.833 N/A ALA 85.A N GLY 58.A O no hydrogen 2.848 N/A VAL 87.A N VAL 84.A O no hydrogen 3.192 N/A ALA 89.A N LYS 82.A O no hydrogen 2.974 N/A ALA 93.A N ASN 18.A OD1 no hydrogen 2.877 N/A GLN 95.A N ASP 92.A OD2 no hydrogen 3.059 N/A PHE 96.A N ASP 92.A O no hydrogen 2.938 N/A VAL 97.A N ALA 93.A O no hydrogen 3.137 N/A ILE 98.A N LEU 94.A O no hydrogen 3.167 N/A GLU 99.A N GLN 95.A O no hydrogen 2.791 N/A ILE 100.A N PHE 96.A O no hydrogen 3.098 N/A ILE 100.A N VAL 97.A O no hydrogen 3.216 N/A ARG 101.A N ILE 98.A O no hydrogen 3.114 N/A ARG 101.A NH1 ILE 98.A O no hydrogen 3.429 N/A LYS 103.A N ILE 100.A O no hydrogen 2.901 N/A LEU 104.A N ILE 100.A O no hydrogen 3.182 N/A ARG 110.A N PRO 107.A O no hydrogen 2.783 N/A ARG 110.A NE ASN 567.A O no hydrogen 2.875 N/A ARG 110.A NH1 GLU 117.A OE1 no hydrogen 3.032 N/A ARG 110.A NH2 ASN 567.A O no hydrogen 2.733 N/A LEU 111.A N PRO 107.A O no hydrogen 2.926 N/A TYR 114.A N ARG 110.A O no hydrogen 3.082 N/A TYR 114.A OH TYR 29.A OH no hydrogen 2.649 N/A MET 115.A N LEU 111.A O no hydrogen 2.872 N/A ASP 116.A N PRO 112.A O no hydrogen 3.014 N/A GLU 117.A N ILE 113.A O no hydrogen 2.954 N/A ILE 118.A N TYR 114.A O no hydrogen 2.942 N/A THR 119.A N MET 115.A O no hydrogen 2.903 N/A THR 119.A OG1 MET 115.A O no hydrogen 3.083 N/A SER 120.A N ASP 116.A O no hydrogen 2.899 N/A SER 120.A OG GLY 163.A O no hydrogen 2.367 N/A THR 121.A N GLU 117.A O no hydrogen 2.969 N/A THR 121.A OG1 GLU 117.A O no hydrogen 2.805 N/A LEU 122.A N ILE 118.A O no hydrogen 2.966 N/A HIS 123.A N THR 119.A O no hydrogen 2.890 N/A HIS 123.A ND1 HIS 8.A NE2 no hydrogen 2.916 N/A GLY 124.A N SER 120.A O no hydrogen 2.987 N/A SER 125.A N THR 121.A O no hydrogen 2.943 N/A ALA 126.A N LEU 122.A O no hydrogen 2.916 N/A TYR 127.A N HIS 123.A O no hydrogen 3.132 N/A LYS 128.A N GLY 124.A O no hydrogen 2.827 N/A LYS 128.A NZ ILE 152.A O no hydrogen 2.754 N/A HIS 129.A N SER 125.A O no hydrogen 2.808 N/A GLY 130.A N ALA 126.A O no hydrogen 3.108 N/A GLY 130.A N TYR 127.A O no hydrogen 3.310 N/A ARG 131.A NE THR 132.A O no hydrogen 3.149 N/A ARG 131.A NH1 THR 149.A O no hydrogen 3.039 N/A ARG 131.A NH1 GLU 178.A O no hydrogen 2.617 N/A ARG 131.A NH2 THR 132.A O no hydrogen 3.555 N/A ALA 136.A N ASP 395.A OD2 no hydrogen 2.814 N/A LEU 139.A N GLY 135.A O no hydrogen 2.965 N/A ALA 140.A N ALA 136.A O no hydrogen 2.979 N/A ARG 141.A N ALA 138.A O no hydrogen 3.141 N/A ALA 142.A N LEU 139.A O no hydrogen 3.091 N/A TYR 144.A OH TYR 291.A OH no hydrogen 2.503 N/A GLN 145.A NE2 GLN 275.A OE1 no hydrogen 2.911 N/A THR 146.A N ASP 143.A OD2 no hydrogen 3.154 N/A THR 146.A OG1 ASP 143.A OD1 no hydrogen 2.465 N/A ILE 147.A N ASP 143.A O no hydrogen 3.029 N/A GLU 148.A N TYR 144.A O no hydrogen 2.954 N/A THR 149.A N GLN 145.A O no hydrogen 3.019 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.962 N/A THR 149.A OG1 THR 146.A O no hydrogen 3.553 N/A SER 150.A N ILE 147.A O no hydrogen 3.142 N/A SER 150.A OG THR 146.A O no hydrogen 2.638 N/A SER 157.A N HIS 155.A ND1 no hydrogen 2.990 N/A SER 157.A OG HIS 507.A NE2 no hydrogen 2.850 N/A VAL 159.A N ASN 561.A OD1 no hydrogen 2.909 N/A ASN 161.A ND2 GLU 153.A O no hydrogen 2.891 N/A ASN 161.A ND2 HIS 155.A O no hydrogen 2.906 N/A ASN 162.A N THR 121.A OG1 no hydrogen 3.113 N/A ASN 162.A ND2 GLU 153.A O no hydrogen 3.396 N/A ARG 164.A N ASN 300.A OD1 no hydrogen 3.032 N/A ARG 164.A NH1 GLU 178.A OE1 no hydrogen 2.848 N/A ARG 164.A NH2 GLU 178.A OE1 no hydrogen 3.422 N/A ARG 164.A NH2 GLU 178.A OE2 no hydrogen 2.899 N/A LEU 165.A N LEU 299.A O no hydrogen 3.000 N/A PHE 167.A N ARG 164.A O no hydrogen 3.164 N/A ASP 168.A N ASP 171.A OD1 no hydrogen 2.824 N/A ASP 171.A N ASP 168.A OD2 no hydrogen 2.735 N/A TYR 172.A N ASP 168.A O no hydrogen 2.966 N/A TYR 172.A OH GLU 178.A OE2 no hydrogen 2.631 N/A HIS 173.A NE2 ILE 5.A O no hydrogen 2.774 N/A GLY 174.A N GLU 170.A O no hydrogen 3.340 N/A GLY 174.A N ASP 171.A O no hydrogen 3.114 N/A TYR 175.A N ASP 171.A O no hydrogen 2.790 N/A ALA 176.A N TYR 172.A O no hydrogen 2.972 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.751 N/A ALA 179.A N ALA 176.A O no hydrogen 2.971 N/A ALA 180.A N PRO 177.A O no hydrogen 3.105 N/A THR 181.A OG1 HIS 173.A O no hydrogen 2.898 N/A THR 181.A OG1 ALA 179.A O no hydrogen 3.345 N/A VAL 183.A N TYR 272.A O no hydrogen 2.716 N/A ARG 184.A NE GLY 268.A O no hydrogen 2.827 N/A ARG 184.A NH2 GLY 268.A O no hydrogen 2.965 N/A MET 186.A N ALA 240.A O no hydrogen 3.029 N/A TRP 187.A N GLY 266.A O no hydrogen 2.865 N/A LEU 188.A N MET 238.A O no hydrogen 2.781 N/A ALA 189.A N VAL 263.A O no hydrogen 2.795 N/A VAL 190.A N TYR 236.A O no hydrogen 2.852 N/A HIS 191.A N LYS 261.A O no hydrogen 2.806 N/A LYS 192.A N ASP 234.A O no hydrogen 2.829 N/A LYS 192.A NZ ALA 233.A O no hydrogen 3.057 N/A ASP 193.A N HIS 191.A ND1 no hydrogen 3.012 N/A ASN 194.A N HIS 191.A O no hydrogen 2.934 N/A ASN 194.A ND2 ARG 349.A O no hydrogen 2.946 N/A ALA 195.A N HIS 191.A O no hydrogen 2.879 N/A HIS 196.A N GLY 347.A O no hydrogen 2.835 N/A SER 198.A N SER 345.A O no hydrogen 2.979 N/A SER 198.A OG ALA 313.A O no hydrogen 3.042 N/A CYS 199.A SG LEU 200.A O no hydrogen 3.537 N/A CYS 199.A SG MET 203.A O no hydrogen 3.398 N/A LEU 200.A N VAL 343.A O no hydrogen 3.027 N/A SER 201.A N GLU 320.A OE2 no hydrogen 2.852 N/A SER 201.A OG GLU 320.A OE1 no hydrogen 2.556 N/A MET 203.A N LEU 200.A O no hydrogen 3.014 N/A ASP 204.A N SER 207.A OG no hydrogen 3.123 N/A SER 207.A N ASP 204.A OD1 no hydrogen 2.900 N/A SER 207.A OG ASP 204.A O no hydrogen 2.975 N/A SER 207.A OG ASP 204.A OD1 no hydrogen 3.068 N/A LEU 208.A N ASP 204.A O no hydrogen 2.956 N/A MET 209.A N TYR 205.A O no hydrogen 2.933 N/A SER 210.A N ASP 206.A O no hydrogen 2.943 N/A GLU 211.A N SER 207.A O no hydrogen 3.041 N/A GLU 212.A N LEU 208.A O no hydrogen 2.822 N/A LEU 213.A N MET 209.A O no hydrogen 2.807 N/A GLY 214.A N MET 209.A O no hydrogen 2.912 N/A VAL 218.A N GLY 214.A O no hydrogen 3.133 N/A THR 219.A N GLU 215.A O no hydrogen 2.730 N/A THR 219.A OG1 GLU 215.A O no hydrogen 2.893 N/A ASP 220.A N SER 216.A O no hydrogen 3.032 N/A PHE 221.A N ALA 217.A O no hydrogen 2.964 N/A ALA 222.A N VAL 218.A O no hydrogen 3.016 N/A ALA 223.A N THR 219.A O no hydrogen 2.906 N/A ARG 224.A N ASP 220.A O no hydrogen 2.914 N/A ARG 224.A NH1 LEU 265.A O no hydrogen 3.191 N/A ARG 224.A NH2 LEU 265.A O no hydrogen 2.803 N/A LEU 225.A N PHE 221.A O no hydrogen 3.115 N/A ARG 226.A N ALA 222.A O no hydrogen 3.033 N/A GLU 227.A N ALA 223.A O no hydrogen 2.877 N/A GLN 228.A N ARG 224.A O no hydrogen 3.380 N/A GLN 228.A N LEU 225.A O no hydrogen 3.186 N/A GLN 228.A NE2 ARG 224.A O no hydrogen 3.576 N/A GLY 229.A N ARG 226.A O no hydrogen 2.806 N/A LEU 230.A N LEU 225.A O no hydrogen 2.986 N/A ASP 234.A N HIS 231.A O no hydrogen 2.875 N/A TYR 235.A N PRO 232.A O no hydrogen 3.086 N/A TYR 235.A OH ARG 260.A O no hydrogen 2.596 N/A TYR 236.A N VAL 190.A O no hydrogen 2.866 N/A PHE 237.A N TYR 205.A OH no hydrogen 2.785 N/A MET 238.A N LEU 188.A O no hydrogen 2.812 N/A ALA 240.A N MET 186.A O no hydrogen 2.784 N/A TRP 243.A N HIS 241.A ND1 no hydrogen 3.074 N/A TRP 243.A NE1 ASP 171.A OD1 no hydrogen 2.947 N/A GLN 244.A NE2 SER 297.A OG no hydrogen 2.955 N/A GLN 244.A NE2 MET 366.A O no hydrogen 2.848 N/A TRP 245.A N HIS 241.A O no hydrogen 3.153 N/A PHE 246.A N PRO 242.A O no hydrogen 3.118 N/A ASN 247.A N TRP 243.A O no hydrogen 2.881 N/A ASN 247.A ND2 TRP 243.A O no hydrogen 2.892 N/A LYS 248.A N GLN 244.A O no hydrogen 2.887 N/A LEU 249.A N GLN 244.A O no hydrogen 2.835 N/A SER 250.A N TRP 245.A O no hydrogen 2.952 N/A SER 250.A OG TRP 245.A O no hydrogen 2.794 N/A ALA 252.A N LYS 248.A O no hydrogen 2.806 N/A PHE 253.A N LEU 249.A O no hydrogen 3.180 N/A ALA 254.A N LEU 251.A O no hydrogen 3.052 N/A VAL 257.A N PHE 253.A O no hydrogen 3.136 N/A ALA 258.A N ALA 254.A O no hydrogen 2.766 N/A GLN 259.A N PRO 255.A O no hydrogen 2.883 N/A GLN 259.A NE2 TYR 352.A OH no hydrogen 3.177 N/A ARG 260.A N VAL 257.A O no hydrogen 3.002 N/A ARG 260.A NH1 GLN 228.A O no hydrogen 2.894 N/A ARG 260.A NH1 GLN 228.A OE1 no hydrogen 3.416 N/A LYS 261.A N TYR 256.A O no hydrogen 2.766 N/A ILE 262.A N TYR 256.A O no hydrogen 3.185 N/A VAL 263.A N ALA 189.A O no hydrogen 2.878 N/A LEU 265.A N TRP 187.A O no hydrogen 2.822 N/A GLY 268.A N LEU 185.A O no hydrogen 2.802 N/A GLN 271.A N SER 285.A OG no hydrogen 2.859 N/A TYR 272.A N VAL 183.A O no hydrogen 2.775 N/A LEU 273.A N PHE 282.A O no hydrogen 2.918 N/A GLN 275.A N THR 280.A O no hydrogen 2.799 N/A GLN 275.A NE2 GLN 145.A OE1 no hydrogen 2.809 N/A GLN 275.A NE2 LEU 273.A O no hydrogen 3.023 N/A GLN 276.A N GLU 148.A OE2 no hydrogen 2.974 N/A GLN 276.A NE2 GLU 148.A O no hydrogen 2.663 N/A ILE 278.A N GLN 275.A O no hydrogen 2.809 N/A ARG 279.A N SER 277.A O no hydrogen 2.817 N/A ARG 279.A NH2 ARG 305.A O no hydrogen 2.846 N/A THR 280.A OG1 SER 277.A OG no hydrogen 3.420 N/A PHE 281.A N VAL 292.A O no hydrogen 2.739 N/A PHE 282.A N LEU 273.A O no hydrogen 2.986 N/A ASN 283.A ND2 GLU 270.A OE1 no hydrogen 2.712 N/A ILE 284.A N GLN 271.A O no hydrogen 2.919 N/A SER 285.A N ASN 283.A OD1 no hydrogen 2.809 N/A ARG 286.A N ASN 283.A OD1 no hydrogen 3.111 N/A LYS 289.A NZ GLU 211.A O no hydrogen 3.271 N/A LYS 289.A NZ GLU 212.A O no hydrogen 2.999 N/A LYS 289.A NZ GLU 270.A OE1 no hydrogen 3.417 N/A LYS 289.A NZ GLU 270.A OE2 no hydrogen 3.331 N/A ARG 290.A N GLU 212.A OE2 no hydrogen 3.183 N/A ARG 290.A NH1 GLU 211.A OE1 no hydrogen 2.909 N/A ARG 290.A NH2 GLU 211.A OE1 no hydrogen 3.353 N/A TYR 291.A N ARG 372.A O no hydrogen 2.910 N/A TYR 291.A OH TYR 144.A OH no hydrogen 2.503 N/A VAL 292.A N PHE 281.A O no hydrogen 2.927 N/A LYS 293.A N LEU 370.A O no hydrogen 2.928 N/A THR 294.A N ARG 279.A O no hydrogen 2.796 N/A THR 294.A OG1 ARG 279.A O no hydrogen 2.959 N/A SER 295.A N SER 368.A O no hydrogen 3.148 N/A SER 295.A OG MET 366.A O no hydrogen 2.728 N/A SER 295.A OG SER 368.A O no hydrogen 3.327 N/A LEU 296.A N ARG 305.A O no hydrogen 2.976 N/A SER 297.A N GLN 244.A OE1 no hydrogen 2.807 N/A ILE 298.A N LEU 296.A O no hydrogen 2.796 N/A LEU 299.A N LEU 165.A O no hydrogen 3.061 N/A ASN 300.A N PHE 303.A O no hydrogen 2.918 N/A ASN 300.A ND2 ASN 161.A O no hydrogen 3.415 N/A PHE 303.A N ASN 300.A O no hydrogen 3.222 N/A ARG 305.A N ILE 298.A O no hydrogen 2.966 N/A ARG 305.A NE ASN 300.A O no hydrogen 3.082 N/A ARG 305.A NH1 ASN 300.A O no hydrogen 2.867 N/A ARG 305.A NH1 MET 301.A O no hydrogen 3.305 N/A LEU 307.A N LYS 365.A O no hydrogen 2.757 N/A TYR 311.A N SER 308.A OG no hydrogen 3.099 N/A MET 312.A N SER 308.A O no hydrogen 2.810 N/A ALA 313.A N PRO 309.A O no hydrogen 3.189 N/A ALA 313.A N TYR 310.A O no hydrogen 3.346 N/A THR 315.A N MET 312.A O no hydrogen 3.237 N/A THR 315.A OG1 TYR 311.A O no hydrogen 2.876 N/A ILE 318.A N GLY 314.A O no hydrogen 2.896 N/A ASN 319.A N THR 315.A O no hydrogen 3.007 N/A ASN 319.A ND2 THR 315.A O no hydrogen 2.900 N/A ASN 319.A ND2 GLU 342.A OE2 no hydrogen 2.911 N/A GLU 320.A N PRO 316.A O no hydrogen 2.881 N/A TYR 321.A N ALA 317.A O no hydrogen 2.984 N/A ILE 322.A N ILE 318.A O no hydrogen 3.045 N/A HIS 323.A N ASN 319.A O no hydrogen 2.843 N/A ASP 324.A N GLU 320.A O no hydrogen 2.996 N/A LEU 325.A N TYR 321.A O no hydrogen 2.993 N/A ILE 326.A N ILE 322.A O no hydrogen 2.874 N/A SER 327.A N HIS 323.A O no hydrogen 2.831 N/A SER 327.A OG HIS 323.A O no hydrogen 2.861 N/A ALA 328.A N ASP 324.A O no hydrogen 2.978 N/A ALA 328.A N LEU 325.A O no hydrogen 3.327 N/A ASP 329.A N ILE 326.A O no hydrogen 3.257 N/A LEU 332.A N ASP 329.A OD1 no hydrogen 3.141 N/A ARG 333.A N ASP 329.A O no hydrogen 2.881 N/A ARG 333.A NH1 SER 327.A O no hydrogen 2.892 N/A ALA 334.A N PRO 330.A O no hydrogen 3.013 N/A ASN 335.A N TRP 331.A O no hydrogen 2.964 N/A ASN 335.A ND2 ASP 422.A O no hydrogen 2.961 N/A GLY 336.A N LEU 332.A O no hydrogen 2.851 N/A PHE 337.A N ASN 335.A OD1 no hydrogen 3.094 N/A ARG 338.A N ALA 458.A O no hydrogen 3.399 N/A ARG 338.A NE ILE 339.A O no hydrogen 2.961 N/A ARG 338.A NH1 ILE 339.A O no hydrogen 3.054 N/A ARG 338.A NH1 GLU 373.A OE1 no hydrogen 3.179 N/A LEU 340.A N MET 460.A O no hydrogen 2.929 N/A ARG 341.A N GLU 373.A OE2 no hydrogen 3.032 N/A ARG 341.A NE GLU 373.A OE2 no hydrogen 2.928 N/A ARG 341.A NH1 GLU 373.A OE1 no hydrogen 2.803 N/A GLU 342.A N ASN 319.A OD1 no hydrogen 2.803 N/A VAL 343.A N TRP 371.A O no hydrogen 2.884 N/A SER 345.A N SER 198.A O no hydrogen 2.849 N/A SER 345.A OG MET 312.A O no hydrogen 2.574 N/A MET 346.A N ALA 369.A O no hydrogen 2.795 N/A GLY 347.A N HIS 196.A O no hydrogen 2.978 N/A PHE 348.A N PHE 367.A O no hydrogen 2.867 N/A ARG 349.A N ASN 194.A O no hydrogen 2.827 N/A ARG 349.A NE GLU 354.A OE1 no hydrogen 2.993 N/A ARG 349.A NE GLU 354.A OE2 no hydrogen 3.051 N/A ARG 349.A NH2 GLU 354.A OE2 no hydrogen 2.755 N/A TYR 351.A N TYR 256.A OH no hydrogen 2.983 N/A TYR 351.A OH ASP 193.A O no hydrogen 2.468 N/A TYR 352.A N ASN 350.A OD1 no hydrogen 3.076 N/A TYR 353.A N ASN 350.A OD1 no hydrogen 3.188 N/A GLU 354.A N ASN 350.A O no hydrogen 3.035 N/A ALA 355.A N TYR 351.A O no hydrogen 2.945 N/A ALA 356.A N TYR 352.A O no hydrogen 3.069 N/A ILE 357.A N TYR 353.A O no hydrogen 2.886 N/A THR 359.A OG1 ASP 360.A O no hydrogen 3.273 N/A TYR 363.A N THR 361.A OG1 no hydrogen 3.102 N/A LYS 364.A N THR 361.A O no hydrogen 3.416 N/A LYS 364.A NZ ILE 357.A O no hydrogen 2.908 N/A LYS 364.A NZ ASP 358.A O no hydrogen 3.450 N/A LYS 364.A NZ THR 359.A O no hydrogen 2.943 N/A LYS 365.A N PRO 362.A O no hydrogen 3.091 N/A LYS 365.A NZ ASP 360.A OD1 no hydrogen 3.035 N/A SER 368.A N SER 295.A OG no hydrogen 3.067 N/A SER 368.A OG LEU 307.A O no hydrogen 2.943 N/A ALA 369.A N MET 346.A O no hydrogen 2.883 N/A LEU 370.A N LYS 293.A O no hydrogen 3.061 N/A TRP 371.A N ALA 344.A O no hydrogen 2.935 N/A ARG 372.A N TYR 291.A O no hydrogen 3.010 N/A ARG 372.A NH2 GLU 342.A OE1 no hydrogen 3.070 N/A GLU 373.A N ARG 341.A O no hydrogen 2.857 N/A ASN 374.A ND2 LYS 289.A O no hydrogen 2.920 N/A LEU 376.A N ASN 374.A OD1 no hydrogen 2.914 N/A THR 377.A OG1 ASN 374.A O no hydrogen 2.798 N/A LEU 378.A N PRO 375.A O no hydrogen 3.053 N/A ALA 380.A N GLN 383.A OE1 no hydrogen 2.900 N/A GLN 383.A N ALA 380.A O no hydrogen 3.114 N/A GLN 383.A NE2 GLN 451.A OE1 no hydrogen 3.056 N/A ASN 384.A N ILE 450.A O no hydrogen 2.963 N/A MET 386.A N LEU 448.A O no hydrogen 2.990 N/A THR 387.A OG1 GLY 443.A O no hydrogen 3.019 N/A MET 388.A N VAL 446.A O no hydrogen 2.857 N/A ALA 389.A N THR 387.A OG1 no hydrogen 3.393 N/A ALA 389.A N GLY 443.A O no hydrogen 3.169 N/A ALA 390.A N THR 387.A O no hydrogen 2.958 N/A LEU 391.A N MET 388.A O no hydrogen 3.104 N/A LEU 392.A N ALA 389.A O no hydrogen 3.107 N/A HIS 393.A N ALA 390.A O no hydrogen 2.989 N/A ASP 395.A N ARG 399.A O no hydrogen 2.848 N/A GLY 398.A N ASP 395.A O no hydrogen 2.767 N/A ARG 399.A N ASP 395.A OD1 no hydrogen 2.797 N/A ARG 399.A NE ASP 395.A OD2 no hydrogen 2.751 N/A ARG 399.A NH2 ASP 395.A OD2 no hydrogen 3.252 N/A LEU 401.A N HIS 393.A O no hydrogen 2.910 N/A LEU 405.A N LEU 401.A O no hydrogen 3.009 N/A ILE 406.A N LEU 402.A O no hydrogen 2.865 N/A GLN 407.A N PRO 403.A O no hydrogen 2.721 N/A ALA 408.A N GLU 404.A O no hydrogen 2.868 N/A SER 409.A N LEU 405.A O no hydrogen 3.046 N/A SER 409.A N ILE 406.A O no hydrogen 3.061 N/A SER 409.A OG ILE 406.A O no hydrogen 2.560 N/A GLY 410.A N GLN 407.A O no hydrogen 3.199 N/A LEU 411.A N SER 409.A OG no hydrogen 3.190 N/A THR 415.A N ASP 412.A OD2.B no hydrogen 2.901 N/A THR 415.A OG1 ASP 412.A OD1.B no hydrogen 2.664 N/A THR 415.A OG1 ASP 412.A OD2.B no hydrogen 2.698 N/A TRP 416.A N ASP 412.A O no hydrogen 3.006 N/A TRP 416.A NE1 GLY 453.A O no hydrogen 2.685 N/A LEU 417.A N ALA 413.A O no hydrogen 2.835 N/A GLU 418.A N GLY 414.A O no hydrogen 2.991 N/A ARG 419.A N THR 415.A O no hydrogen 3.140 N/A TYR 420.A N TRP 416.A O no hydrogen 3.007 N/A VAL 421.A N LEU 417.A O no hydrogen 2.842 N/A ASP 422.A N GLU 418.A O no hydrogen 3.067 N/A ALA 423.A N ARG 419.A O no hydrogen 3.032 N/A TYR 424.A N TYR 420.A O no hydrogen 2.903 N/A TYR 424.A OH PRO 441.A O no hydrogen 2.615 N/A LEU 425.A N VAL 421.A O no hydrogen 2.806 N/A THR 426.A N VAL 421.A O no hydrogen 3.093 N/A THR 426.A OG1 VAL 421.A O no hydrogen 3.435 N/A THR 426.A OG1 ASP 422.A OD1 no hydrogen 2.734 N/A ILE 429.A N LEU 425.A O no hydrogen 3.008 N/A HIS 430.A N THR 426.A O no hydrogen 2.844 N/A HIS 430.A ND1 TYR 534.A OH no hydrogen 2.615 N/A HIS 430.A NE2 ASP 329.A OD2 no hydrogen 2.673 N/A CYS 431.A N PRO 427.A O no hydrogen 2.826 N/A CYS 431.A SG PRO 427.A O no hydrogen 3.359 N/A PHE 432.A N LEU 428.A O no hydrogen 2.981 N/A TYR 433.A N ILE 429.A O no hydrogen 2.943 N/A TYR 433.A OH TYR 548.A O no hydrogen 2.670 N/A ALA 434.A N HIS 430.A O no hydrogen 2.835 N/A HIS 435.A N CYS 431.A O no hydrogen 3.111 N/A HIS 435.A NE2 ASP 329.A OD2 no hydrogen 2.644 N/A ASP 436.A N PHE 432.A O no hydrogen 2.817 N/A LEU 437.A N CYS 431.A O no hydrogen 2.969 N/A VAL 438.A N SER 468.A O no hydrogen 2.931 N/A HIS 442.A N MET 440.A O no hydrogen 3.042 N/A GLU 444.A N HIS 442.A ND1 no hydrogen 3.108 N/A ASN 445.A N HIS 442.A ND1 no hydrogen 3.178 N/A ASN 445.A N HIS 442.A O no hydrogen 3.170 N/A ASN 445.A ND2 MET 440.A O no hydrogen 2.765 N/A ILE 447.A N PHE 459.A O no hydrogen 2.908 N/A LEU 448.A N MET 386.A O no hydrogen 2.788 N/A VAL 449.A N ARG 457.A O no hydrogen 2.864 N/A ILE 450.A N ASN 384.A O no hydrogen 2.741 N/A GLN 451.A N VAL 454.A O no hydrogen 2.738 N/A VAL 454.A N GLN 451.A O no hydrogen 2.921 N/A VAL 456.A N VAL 449.A O no hydrogen 2.832 N/A ARG 457.A NH1 GLY 336.A O no hydrogen 2.862 N/A PHE 459.A N ILE 447.A O no hydrogen 2.801 N/A MET 460.A N ARG 338.A O no hydrogen 2.963 N/A LYS 461.A N ASN 445.A O no hydrogen 2.903 N/A LYS 461.A NZ GLU 444.A O no hydrogen 2.962 N/A ILE 463.A N GLU 342.A OE1 no hydrogen 2.811 N/A ALA 464.A N GLU 342.A OE2 no hydrogen 3.064 N/A GLU 466.A N ILE 463.A O no hydrogen 3.313 N/A SER 467.A N ILE 463.A O no hydrogen 2.839 N/A SER 467.A OG ILE 463.A O no hydrogen 2.724 N/A SER 468.A N VAL 438.A O no hydrogen 3.068 N/A ILE 469.A N LEU 483.A O no hydrogen 2.996 N/A LEU 470.A N ASP 436.A O no hydrogen 2.754 N/A GLN 473.A N ASN 471.A OD1 no hydrogen 3.029 N/A VAL 474.A N ASN 471.A O no hydrogen 3.060 N/A ALA 480.A N PRO 477.A O no hydrogen 2.880 N/A GLN 481.A N GLN 478.A O no hydrogen 3.222 N/A ARG 482.A NH1 TYR 311.A O no hydrogen 2.894 N/A ARG 482.A NH2 ALA 464.A O no hydrogen 2.789 N/A LEU 483.A N ALA 480.A O no hydrogen 3.078 N/A ALA 484.A N GLN 481.A O no hydrogen 3.191 N/A ALA 485.A N ILE 469.A O no hydrogen 2.768 N/A TYR 491.A N PRO 488.A O no hydrogen 3.079 N/A LYS 492.A N GLU 489.A O no hydrogen 3.512 N/A LYS 492.A NZ VAL 487.A O no hydrogen 2.874 N/A LYS 492.A NZ TYR 548.A OH no hydrogen 3.538 N/A LEU 494.A N TYR 491.A O no hydrogen 3.151 N/A THR 495.A OG1.B PHE 439.A O no hydrogen 3.130 N/A ILE 496.A N LEU 493.A O no hydrogen 3.007 N/A PHE 497.A N LEU 493.A O no hydrogen 2.999 N/A VAL 498.A N LEU 494.A O no hydrogen 2.725 N/A VAL 500.A N THR 495.A O no hydrogen 3.219 N/A VAL 500.A N ILE 496.A O no hydrogen 3.143 N/A PHE 501.A N ILE 496.A O no hydrogen 2.864 N/A GLU 502.A N PHE 497.A O no hydrogen 2.927 N/A TYR 504.A N VAL 500.A O no hydrogen 3.084 N/A TYR 504.A OH MET 388.A O no hydrogen 2.519 N/A PHE 505.A N VAL 500.A O no hydrogen 2.810 N/A ARG 506.A N PHE 501.A O no hydrogen 2.856 N/A ARG 506.A NE GLU 502.A O no hydrogen 2.864 N/A ARG 506.A NH1 GLU 28.A OE1 no hydrogen 2.989 N/A ARG 506.A NH1 GLU 28.A OE2 no hydrogen 3.430 N/A ARG 506.A NH1 HIS 72.A ND1 no hydrogen 3.023 N/A ARG 506.A NH2 GLU 28.A OE2 no hydrogen 2.899 N/A ARG 506.A NH2 GLU 502.A O no hydrogen 3.487 N/A HIS 507.A N TYR 504.A O no hydrogen 3.025 N/A HIS 507.A NE2 SER 157.A OG no hydrogen 2.850 N/A LEU 508.A N TYR 504.A O no hydrogen 3.056 N/A THR 509.A N PHE 505.A O no hydrogen 2.941 N/A THR 509.A OG1 PHE 505.A O no hydrogen 3.564 N/A THR 509.A OG1 ARG 506.A O no hydrogen 3.392 N/A GLN 510.A NE2 GLU 514.A OE1 no hydrogen 2.981 N/A ILE 511.A N HIS 507.A O no hydrogen 3.431 N/A LEU 512.A N LEU 508.A O no hydrogen 2.949 N/A VAL 513.A N THR 509.A O no hydrogen 2.971 N/A GLU 514.A N GLN 510.A O no hydrogen 2.859 N/A THR 515.A N ILE 511.A O no hydrogen 2.946 N/A THR 515.A OG1 ILE 511.A O no hydrogen 2.811 N/A GLU 516.A N VAL 513.A O no hydrogen 3.062 N/A LEU 517.A N LEU 512.A O no hydrogen 2.899 N/A MET 518.A N LEU 512.A O no hydrogen 3.233 N/A PHE 523.A N PRO 519.A O no hydrogen 3.236 N/A TRP 524.A N GLU 520.A O no hydrogen 2.999 N/A ARG 525.A N HIS 521.A O no hydrogen 2.940 N/A ARG 525.A NH2 ASP 522.A OD2 no hydrogen 2.969 N/A LEU 526.A N ASP 522.A O no hydrogen 3.088 N/A VAL 527.A N PHE 523.A O no hydrogen 2.932 N/A ALA 528.A N TRP 524.A O no hydrogen 2.894 N/A GLY 529.A N ARG 525.A O no hydrogen 2.889 N/A ARG 530.A N LEU 526.A O no hydrogen 3.006 N/A ARG 530.A NH2 ASP 422.A OD2 no hydrogen 2.499 N/A ILE 531.A N VAL 527.A O no hydrogen 3.033 N/A ALA 532.A N ALA 528.A O no hydrogen 2.795 N/A ALA 533.A N GLY 529.A O no hydrogen 2.966 N/A TYR 534.A N ARG 530.A O no hydrogen 2.977 N/A TYR 534.A OH HIS 430.A ND1 no hydrogen 2.615 N/A GLN 535.A N ILE 531.A O no hydrogen 2.921 N/A GLN 536.A N ALA 532.A O no hydrogen 2.834 N/A ALA 537.A N ALA 533.A O no hydrogen 3.105 N/A HIS 538.A N GLN 535.A O no hydrogen 3.082 N/A HIS 538.A ND1 TYR 534.A O no hydrogen 3.000 N/A GLN 540.A N.A GLN 540.A OE1.A no hydrogen 2.778 N/A ARG 541.A N HIS 538.A O no hydrogen 3.400 N/A LEU 542.A N PRO 539.A O no hydrogen 3.178 N/A LYS 544.A N ARG 541.A O no hydrogen 2.984 N/A LYS 544.A NZ TYR 433.A O no hydrogen 2.718 N/A LYS 544.A NZ ASP 436.A OD1 no hydrogen 2.578 N/A TYR 545.A N ARG 541.A O no hydrogen 3.100 N/A TYR 545.A OH HIS 538.A O no hydrogen 2.605 N/A ARG 546.A N LEU 542.A O no hydrogen 2.901 N/A ARG 547.A N ASP 543.A O.A no hydrogen 2.984 N/A ARG 547.A N ASP 543.A O.B no hydrogen 2.958 N/A ARG 547.A NH1 GLU 489.A OE1 no hydrogen 3.449 N/A ARG 547.A NH1 GLU 489.A OE2 no hydrogen 3.545 N/A TYR 548.A N LYS 544.A O no hydrogen 2.820 N/A PHE 551.A N ASP 549.A OD1 no hydrogen 2.883 N/A ALA 552.A N ASP 549.A O no hydrogen 3.333 N/A MET 555.A N LEU 570.A O no hydrogen 3.014 N/A SER 558.A N GLU 502.A OE2 no hydrogen 2.797 N/A CYS 559.A SG GLU 32.A O no hydrogen 3.944 N/A ASN 561.A N GLU 32.A OE1 no hydrogen 2.959 N/A ASN 561.A ND2 GLU 32.A OE1 no hydrogen 2.708 N/A ASN 561.A ND2 SER 157.A O no hydrogen 2.991 N/A ARG 562.A N GLU 32.A OE2 no hydrogen 2.886 N/A ARG 562.A NE GLU 32.A O no hydrogen 3.051 N/A ARG 562.A NH2 GLU 32.A O no hydrogen 2.870 N/A LEU 563.A N CYS 559.A O no hydrogen 2.994 N/A GLN 564.A N LEU 560.A O no hydrogen 2.988 N/A GLN 564.A NE2 ALA 160.A O no hydrogen 3.045 N/A LEU 565.A N ASN 561.A O no hydrogen 2.818 N/A ALA 566.A N ARG 562.A O no hydrogen 2.815 N/A ASN 567.A N LEU 563.A O no hydrogen 2.940 N/A ASN 569.A ND2 ASP 554.A OD1 no hydrogen 2.946 N/A ASN 572.A N PRO 553.A O no hydrogen 2.956 N/A ASN 572.A ND2 LEU 550.A O no hydrogen 2.753 N/A ASN 572.A ND2 ALA 552.A O no hydrogen 2.845 N/A ILE 574.A N ASN 572.A OD1 no hydrogen 3.075 N/A ALA 575.A N ASN 572.A O no hydrogen 3.118 N/A CYS 576.A SG HIS 521.A NE2 no hydrogen 3.763 N/A PHE 577.A N ILE 574.A O no hydrogen 3.002 N/A ARG 578.A N ALA 575.A O no hydrogen 3.350 N/A ARG 578.A NH2 PHE 551.A O no hydrogen 3.507 N/A TRP 581.A NE1 GLN 535.A OE1 no hydrogen 3.176 N/A LEU 582.A N PRO 579.A O no hydrogen 3.274 N/A