Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bzc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N MET 1.A O no hydrogen 3.102 N/A THR 6.A N ASP 2.A O no hydrogen 2.735 N/A THR 6.A OG1 ASP 2.A O no hydrogen 2.852 N/A ARG 7.A N SER 3.A O no hydrogen 3.131 N/A ARG 7.A NE GLU 11.A OE2 no hydrogen 2.913 N/A ARG 7.A NH1 ASP 99.A O no hydrogen 2.893 N/A ARG 7.A NH2 GLU 11.A OE2 no hydrogen 3.561 N/A ARG 7.A NH2 ASP 99.A O no hydrogen 3.495 N/A ILE 8.A N ILE 4.A O no hydrogen 2.777 N/A ALA 9.A N ASN 5.A O no hydrogen 2.823 N/A GLU 10.A N THR 6.A O no hydrogen 2.912 N/A GLU 11.A N ARG 7.A O no hydrogen 2.892 N/A LEU 12.A N ILE 8.A O no hydrogen 2.829 N/A SER 13.A N ALA 9.A O no hydrogen 2.955 N/A SER 13.A OG ALA 9.A O no hydrogen 2.807 N/A ALA 14.A N GLU 11.A O no hydrogen 3.343 N/A LEU 15.A N LEU 12.A O no hydrogen 2.761 N/A GLY 18.A N LEU 15.A O no hydrogen 2.586 N/A ARG 19.A NH1 GLU 10.A OE1 no hydrogen 3.170 N/A VAL 20.A N SER 13.A OG no hydrogen 2.741 N/A GLN 21.A N GLN 24.A OE1 no hydrogen 2.736 N/A GLN 24.A N GLN 21.A O no hydrogen 3.001 N/A GLN 24.A NE2 THR 49.A O no hydrogen 2.834 N/A VAL 25.A N GLN 21.A O no hydrogen 3.443 N/A ALA 26.A N PRO 22.A O no hydrogen 2.936 N/A ALA 27.A N GLN 23.A O no hydrogen 2.932 N/A ALA 28.A N GLN 24.A O no hydrogen 2.822 N/A VAL 29.A N VAL 25.A O no hydrogen 2.727 N/A ALA 30.A N ALA 26.A O no hydrogen 3.122 N/A LEU 31.A N ALA 27.A O no hydrogen 3.234 N/A LEU 32.A N ALA 28.A O no hydrogen 2.979 N/A ASP 33.A N VAL 29.A O no hydrogen 2.910 N/A GLU 34.A N ALA 30.A O no hydrogen 3.083 N/A GLY 35.A N LEU 32.A O no hydrogen 2.756 N/A SER 36.A N LEU 31.A O no hydrogen 2.936 N/A THR 37.A N GLN 553.A OE1 no hydrogen 2.925 N/A THR 37.A OG1 SER 514.A OG no hydrogen 2.830 N/A THR 37.A OG1 GLN 553.A OE1 no hydrogen 3.448 N/A PHE 40.A N THR 37.A OG1 no hydrogen 3.201 N/A ILE 41.A N THR 37.A O no hydrogen 2.862 N/A ALA 42.A N VAL 38.A O no hydrogen 2.889 N/A ARG 43.A N PRO 39.A O no hydrogen 2.982 N/A ARG 43.A N PHE 40.A O no hydrogen 3.037 N/A TYR 44.A N PHE 40.A O no hydrogen 2.653 N/A TYR 44.A OH ALA 571.A O no hydrogen 2.650 N/A ARG 45.A N ILE 41.A O no hydrogen 3.046 N/A ARG 45.A NE TYR 44.A O no hydrogen 3.198 N/A ARG 45.A NH2 GLU 575.A OE2 no hydrogen 3.517 N/A LYS 46.A NZ ASP 621.A OD2 no hydrogen 3.080 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.508 N/A THR 49.A N ARG 45.A O no hydrogen 3.387 N/A SER 51.A N LYS 46.A O no hydrogen 2.611 N/A LEU 52.A N THR 49.A OG1 no hydrogen 2.997 N/A ASP 53.A N GLN 56.A OE1 no hydrogen 2.931 N/A GLN 56.A N ASP 53.A OD1 no hydrogen 2.949 N/A LEU 57.A N ASP 53.A O no hydrogen 2.800 N/A ARG 58.A N ASP 54.A O no hydrogen 2.646 N/A ARG 58.A NE ASP 493.A OD1 no hydrogen 3.145 N/A ARG 58.A NE ASP 493.A OD2 no hydrogen 3.432 N/A ARG 58.A NH1 GLU 61.A OE1 no hydrogen 3.130 N/A ARG 58.A NH2 GLU 492.A OE2 no hydrogen 2.384 N/A ARG 58.A NH2 ASP 493.A OD1 no hydrogen 2.726 N/A MET 59.A N THR 55.A O no hydrogen 2.962 N/A LEU 60.A N GLN 56.A O no hydrogen 2.775 N/A GLU 61.A N LEU 57.A O no hydrogen 3.038 N/A GLU 62.A N ARG 58.A O no hydrogen 3.112 N/A ARG 63.A N MET 59.A O no hydrogen 2.863 N/A ARG 63.A NE GLU 11.A OE1 no hydrogen 2.460 N/A ARG 63.A NH2 GLU 11.A OE2 no hydrogen 2.862 N/A LEU 64.A N LEU 60.A O no hydrogen 2.682 N/A ARG 65.A N GLU 61.A O no hydrogen 3.161 N/A TYR 66.A N GLU 62.A O no hydrogen 3.098 N/A LEU 67.A N ARG 63.A O no hydrogen 2.710 N/A ARG 68.A N LEU 64.A O no hydrogen 3.147 N/A ARG 68.A NH1 ASP 33.A OD1 no hydrogen 3.102 N/A ARG 68.A NH2 ASP 33.A OD1 no hydrogen 3.501 N/A ARG 68.A NH2 ASP 33.A OD2 no hydrogen 3.210 N/A GLU 69.A N ARG 65.A O no hydrogen 3.267 N/A GLU 69.A N TYR 66.A O no hydrogen 3.052 N/A LEU 70.A N TYR 66.A O no hydrogen 3.139 N/A GLU 71.A N LEU 67.A O no hydrogen 3.129 N/A GLU 72.A N ARG 68.A O no hydrogen 3.146 N/A ARG 73.A N GLU 69.A O no hydrogen 2.938 N/A ARG 73.A NE GLU 105.A OE2 no hydrogen 2.671 N/A ARG 73.A NH2 GLU 105.A OE1 no hydrogen 3.016 N/A ARG 73.A NH2 GLU 105.A OE2 no hydrogen 3.543 N/A ARG 74.A N LEU 70.A O no hydrogen 2.739 N/A ARG 74.A NE GLU 71.A OE2 no hydrogen 3.024 N/A ARG 74.A NH1 ILE 95.A O no hydrogen 2.694 N/A ARG 74.A NH1 ALA 98.A O no hydrogen 2.635 N/A ARG 74.A NH2 GLU 71.A OE2 no hydrogen 3.139 N/A ARG 74.A NH2 ALA 98.A O no hydrogen 3.523 N/A GLY 75.A N GLU 71.A O no hydrogen 3.117 N/A ALA 76.A N GLU 72.A O no hydrogen 3.261 N/A ILE 77.A N ARG 73.A O no hydrogen 2.899 N/A LEU 78.A N ARG 74.A O no hydrogen 2.995 N/A ALA 79.A N GLY 75.A O no hydrogen 2.882 N/A SER 80.A N ALA 76.A O no hydrogen 2.914 N/A SER 80.A OG TYR 108.A OH no hydrogen 2.686 N/A ILE 81.A N ILE 77.A O no hydrogen 2.994 N/A GLU 82.A N LEU 78.A O no hydrogen 2.950 N/A GLU 83.A N ALA 79.A O no hydrogen 2.976 N/A GLN 84.A N ILE 81.A O no hydrogen 2.960 N/A GLN 84.A NE2 SER 80.A O no hydrogen 3.522 N/A GLN 84.A NE2 SER 80.A OG no hydrogen 3.326 N/A GLN 84.A NE2 TYR 111.A O no hydrogen 3.140 N/A GLY 85.A N GLU 82.A O no hydrogen 3.078 N/A LYS 86.A N ILE 81.A O no hydrogen 3.310 N/A THR 88.A N LYS 86.A O no hydrogen 3.023 N/A LEU 91.A N THR 88.A OG1 no hydrogen 3.012 N/A ALA 92.A N THR 88.A O no hydrogen 2.730 N/A ARG 93.A N PRO 89.A O no hydrogen 3.047 N/A ASP 94.A N GLU 90.A O no hydrogen 3.133 N/A ILE 95.A N LEU 91.A O no hydrogen 2.964 N/A LYS 96.A N ALA 92.A O no hydrogen 3.133 N/A LEU 97.A N ARG 93.A O no hydrogen 2.965 N/A ALA 98.A N ILE 95.A O no hydrogen 3.107 N/A ARG 103.A N THR 100.A OG1 no hydrogen 3.078 N/A LEU 104.A N THR 100.A O no hydrogen 3.161 N/A GLU 105.A N LYS 101.A O no hydrogen 2.844 N/A ASP 106.A N THR 102.A O no hydrogen 2.981 N/A LEU 107.A N ARG 103.A O no hydrogen 3.057 N/A LEU 107.A N LEU 104.A O no hydrogen 3.235 N/A TYR 108.A N LEU 104.A O no hydrogen 3.061 N/A TYR 108.A N GLU 105.A O no hydrogen 2.812 N/A TYR 108.A OH SER 80.A OG no hydrogen 2.686 N/A TYR 111.A N TYR 108.A O no hydrogen 2.796 N/A LYS 112.A N LEU 109.A O no hydrogen 3.136 N/A THR 117.A OG1 GLU 172.A OE1 no hydrogen 2.812 N/A THR 117.A OG1 GLU 172.A OE2 no hydrogen 2.923 N/A GLY 119.A N GLU 172.A OE2 no hydrogen 3.163 N/A GLN 120.A N THR 117.A OG1 no hydrogen 3.167 N/A ILE 121.A N THR 117.A O no hydrogen 3.018 N/A ALA 122.A N LYS 118.A O no hydrogen 2.935 N/A LEU 123.A N GLY 119.A O no hydrogen 2.931 N/A GLU 124.A N GLN 120.A O no hydrogen 3.083 N/A ALA 125.A N ILE 121.A O no hydrogen 2.960 N/A GLY 126.A N LEU 123.A O no hydrogen 2.779 N/A LEU 127.A N ALA 122.A O no hydrogen 2.922 N/A ALA 131.A N LEU 127.A O no hydrogen 3.022 N/A ASP 132.A N GLY 128.A O no hydrogen 2.800 N/A ALA 133.A N ALA 129.A O no hydrogen 2.957 N/A LEU 134.A N LEU 130.A O no hydrogen 2.985 N/A PHE 135.A N ALA 131.A O no hydrogen 3.042 N/A ASP 136.A N ASP 132.A O no hydrogen 2.672 N/A ASP 137.A N ALA 133.A O no hydrogen 2.951 N/A THR 139.A N ASP 137.A OD1 no hydrogen 3.132 N/A THR 139.A OG1 ASP 137.A OD1 no hydrogen 2.738 N/A THR 139.A OG1 ASP 137.A OD2 no hydrogen 3.474 N/A LEU 140.A N ASP 137.A O no hydrogen 3.276 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.610 N/A GLU 145.A N VAL 141.A O no hydrogen 2.910 N/A ALA 146.A N PRO 142.A O no hydrogen 2.577 N/A ALA 147.A N SER 144.A O no hydrogen 3.307 N/A PHE 149.A N ALA 146.A O no hydrogen 2.985 N/A VAL 150.A N ALA 147.A O no hydrogen 3.227 N/A ASP 151.A N PHE 156.A O no hydrogen 2.574 N/A LYS 154.A N ASP 151.A O no hydrogen 3.225 N/A LYS 160.A N ASP 158.A OD1 no hydrogen 3.047 N/A VAL 162.A N ASP 158.A O no hydrogen 2.997 N/A LEU 163.A N VAL 159.A O no hydrogen 2.983 N/A GLU 164.A N LYS 160.A O no hydrogen 2.968 N/A GLY 165.A N ALA 161.A O no hydrogen 3.011 N/A ALA 166.A N VAL 162.A O no hydrogen 2.981 N/A LYS 167.A N LEU 163.A O no hydrogen 2.967 N/A LYS 167.A NZ GLU 279.A OE2 no hydrogen 2.920 N/A TYR 168.A N GLU 164.A O no hydrogen 3.049 N/A ILE 169.A N GLY 165.A O no hydrogen 3.072 N/A LEU 170.A N ALA 166.A O no hydrogen 3.252 N/A MET 171.A N LYS 167.A O no hydrogen 2.943 N/A GLU 172.A N TYR 168.A O no hydrogen 3.038 N/A ARG 173.A N ILE 169.A O no hydrogen 3.203 N/A ARG 173.A NH1 ASP 132.A OD1 no hydrogen 2.764 N/A ARG 173.A NH2 ASP 132.A OD1 no hydrogen 3.471 N/A PHE 174.A N LEU 170.A O no hydrogen 2.685 N/A ALA 175.A N MET 171.A O no hydrogen 2.782 N/A GLU 176.A N ARG 173.A O no hydrogen 3.489 N/A ASP 177.A N PHE 174.A O no hydrogen 3.380 N/A LEU 180.A N ASP 177.A OD1 no hydrogen 2.691 N/A LEU 181.A N ASP 177.A O no hydrogen 2.947 N/A ASP 182.A N ALA 178.A O no hydrogen 3.039 N/A LYS 183.A N THR 179.A O no hydrogen 3.035 N/A LEU 184.A N LEU 180.A O no hydrogen 2.834 N/A ARG 185.A N LEU 181.A O no hydrogen 2.789 N/A ARG 185.A NE ASP 296.A OD1 no hydrogen 2.687 N/A ARG 185.A NH1 ASP 106.A OD2 no hydrogen 3.059 N/A ARG 185.A NH2 ASP 106.A OD2 no hydrogen 3.193 N/A ARG 185.A NH2 ASP 296.A OD1 no hydrogen 3.098 N/A VAL 186.A N ASP 182.A O no hydrogen 2.866 N/A PHE 187.A N LYS 183.A O no hydrogen 3.109 N/A MET 188.A N LEU 184.A O no hydrogen 2.822 N/A LYS 189.A N ARG 185.A O no hydrogen 2.973 N/A ASN 190.A N VAL 186.A O no hydrogen 3.142 N/A GLU 191.A N PHE 187.A O no hydrogen 2.886 N/A ALA 192.A N MET 188.A O no hydrogen 2.827 N/A THR 193.A N LYS 244.A O no hydrogen 3.416 N/A LEU 194.A N GLU 217.A O no hydrogen 2.683 N/A THR 195.A N SER 242.A O no hydrogen 2.723 N/A THR 195.A OG1 THR 193.A O no hydrogen 3.360 N/A THR 195.A OG1 SER 242.A O no hydrogen 3.414 N/A ALA 196.A N HIS 215.A O no hydrogen 2.651 N/A ARG 197.A N SER 240.A O no hydrogen 3.088 N/A ARG 197.A NH1 ASP 216.A OD1 no hydrogen 3.380 N/A VAL 198.A N PHE 213.A O no hydrogen 3.163 N/A VAL 199.A N VAL 238.A O no hydrogen 3.024 N/A GLY 206.A N GLU 203.A O no hydrogen 3.462 N/A PHE 209.A N GLY 206.A O no hydrogen 3.033 N/A SER 210.A N ALA 207.A O no hydrogen 3.014 N/A SER 210.A OG ALA 207.A O no hydrogen 2.924 N/A TYR 212.A N PHE 209.A O no hydrogen 2.716 N/A HIS 215.A N ALA 196.A O no hydrogen 2.916 N/A GLU 217.A N LEU 194.A O no hydrogen 2.990 N/A LEU 219.A N ALA 192.A O no hydrogen 3.318 N/A SER 221.A N PRO 218.A O no hydrogen 3.276 N/A ALA 222.A N LEU 219.A O no hydrogen 3.440 N/A SER 224.A OG ALA 305.A O no hydrogen 2.714 N/A ARG 226.A NE GLU 217.A OE2 no hydrogen 3.332 N/A ARG 226.A NH2 GLU 217.A OE1 no hydrogen 3.106 N/A ARG 226.A NH2 GLU 217.A OE2 no hydrogen 3.294 N/A ALA 227.A N PRO 223.A O no hydrogen 3.112 N/A LEU 228.A N SER 224.A O no hydrogen 3.106 N/A ALA 229.A N HIS 225.A O no hydrogen 2.855 N/A ILE 230.A N ARG 226.A O no hydrogen 2.960 N/A PHE 231.A N ALA 227.A O no hydrogen 2.911 N/A ARG 232.A N ALA 229.A O no hydrogen 3.040 N/A ARG 232.A NE ARG 232.A O no hydrogen 2.860 N/A GLY 233.A N ILE 230.A O no hydrogen 3.048 N/A SER 240.A N ARG 197.A O no hydrogen 2.669 N/A SER 240.A OG ARG 197.A O no hydrogen 3.044 N/A SER 242.A N THR 195.A O no hydrogen 3.289 N/A SER 242.A OG LEU 243.A O no hydrogen 3.371 N/A SER 242.A OG TYR 290.A OH no hydrogen 2.767 N/A LEU 243.A N TYR 290.A OH no hydrogen 3.300 N/A LYS 244.A N THR 193.A O no hydrogen 3.046 N/A THR 252.A N ALA 249.A O no hydrogen 3.344 N/A CYS 256.A N HIS 254.A ND1 no hydrogen 2.856 N/A VAL 258.A N HIS 254.A O no hydrogen 3.120 N/A MET 259.A N PRO 255.A O no hydrogen 3.003 N/A ILE 260.A N CYS 256.A O no hydrogen 2.750 N/A ALA 261.A N GLU 257.A O no hydrogen 2.849 N/A GLU 262.A N VAL 258.A O no hydrogen 2.845 N/A ARG 263.A N MET 259.A O no hydrogen 2.795 N/A ARG 263.A NH2 ASP 177.A OD2 no hydrogen 3.133 N/A PHE 264.A N ILE 260.A O no hydrogen 3.222 N/A PHE 264.A N ALA 261.A O no hydrogen 2.857 N/A GLY 265.A N GLU 262.A O no hydrogen 3.152 N/A LEU 266.A N ALA 261.A O no hydrogen 2.816 N/A GLN 269.A N ASP 274.A OD2 no hydrogen 2.705 N/A GLY 270.A N ASN 268.A OD1 no hydrogen 3.454 N/A ARG 271.A N ASP 274.A OD2 no hydrogen 2.956 N/A ARG 271.A NE ASP 274.A OD1 no hydrogen 2.929 N/A ARG 271.A NE ASP 274.A OD2 no hydrogen 2.731 N/A ARG 271.A NH2 ASP 274.A OD1 no hydrogen 3.050 N/A ALA 273.A N PRO 138.A O no hydrogen 2.719 N/A ASP 274.A N ARG 271.A O no hydrogen 3.260 N/A LEU 277.A N ALA 273.A O no hydrogen 2.892 N/A ALA 278.A N ASP 274.A O no hydrogen 3.183 N/A GLU 279.A N LYS 275.A O no hydrogen 3.040 N/A VAL 280.A N TRP 276.A O no hydrogen 2.889 N/A VAL 281.A N LEU 277.A O no hydrogen 2.877 N/A ARG 282.A N ALA 278.A O no hydrogen 2.952 N/A TRP 283.A N GLU 279.A O no hydrogen 3.046 N/A THR 284.A N VAL 280.A O no hydrogen 2.845 N/A THR 284.A OG1 VAL 280.A O no hydrogen 2.889 N/A TRP 285.A N VAL 281.A O no hydrogen 3.220 N/A LYS 286.A N ARG 282.A O no hydrogen 2.986 N/A VAL 287.A N TRP 283.A O no hydrogen 2.929 N/A LYS 288.A N THR 284.A O no hydrogen 2.902 N/A LEU 289.A N THR 284.A O no hydrogen 2.999 N/A TYR 290.A N TRP 285.A O no hydrogen 2.878 N/A TYR 290.A OH GLU 294.A OE2 no hydrogen 2.952 N/A HIS 292.A N LYS 288.A O no hydrogen 3.275 N/A LEU 293.A N LEU 289.A O no hydrogen 2.870 N/A GLU 294.A N TYR 290.A O no hydrogen 2.809 N/A GLU 294.A N THR 291.A O no hydrogen 3.103 N/A THR 295.A N THR 291.A O no hydrogen 3.029 N/A THR 295.A OG1 THR 291.A O no hydrogen 2.912 N/A ASP 296.A N HIS 292.A O no hydrogen 3.394 N/A LEU 297.A N LEU 293.A O no hydrogen 3.065 N/A PHE 298.A N GLU 294.A O no hydrogen 2.880 N/A GLY 299.A N THR 295.A O no hydrogen 3.069 N/A GLU 300.A N ASP 296.A O no hydrogen 2.819 N/A LEU 301.A N LEU 297.A O no hydrogen 2.980 N/A ARG 302.A N PHE 298.A O no hydrogen 2.789 N/A ASP 303.A N GLY 299.A O no hydrogen 2.991 N/A GLY 304.A N GLU 300.A O no hydrogen 3.207 N/A ALA 305.A N LEU 301.A O no hydrogen 3.001 N/A GLU 306.A N ARG 302.A O no hydrogen 2.824 N/A ASP 307.A N ASP 303.A O no hydrogen 2.737 N/A GLU 308.A N GLY 304.A O no hydrogen 3.051 N/A ALA 309.A N ALA 305.A O no hydrogen 2.995 N/A ILE 310.A N GLU 306.A O no hydrogen 2.812 N/A SER 311.A N ASP 307.A O no hydrogen 2.992 N/A SER 311.A OG ASP 307.A O no hydrogen 3.149 N/A VAL 312.A N GLU 308.A O no hydrogen 3.217 N/A PHE 313.A N ALA 309.A O no hydrogen 3.026 N/A ALA 314.A N ILE 310.A O no hydrogen 2.957 N/A ARG 315.A N SER 311.A O no hydrogen 3.168 N/A ASN 316.A N VAL 312.A O no hydrogen 3.013 N/A ASN 316.A ND2 VAL 471.A O no hydrogen 2.823 N/A LEU 317.A N PHE 313.A O no hydrogen 2.936 N/A HIS 318.A N ALA 314.A O no hydrogen 2.929 N/A ASP 319.A N ARG 315.A O no hydrogen 2.961 N/A LEU 320.A N ASN 316.A O no hydrogen 3.043 N/A LEU 321.A N LEU 317.A O no hydrogen 2.915 N/A LEU 322.A N HIS 318.A O no hydrogen 3.293 N/A ALA 323.A N LEU 320.A O no hydrogen 3.113 N/A ALA 326.A N LEU 454.A O no hydrogen 3.027 N/A GLY 327.A N GLN 455.A O no hydrogen 2.981 N/A ARG 329.A N GLY 327.A O no hydrogen 2.750 N/A THR 331.A N VAL 347.A O no hydrogen 2.823 N/A THR 331.A OG1 ARG 329.A O no hydrogen 2.767 N/A LEU 332.A N LEU 386.A O no hydrogen 2.857 N/A GLY 333.A N ALA 345.A O no hydrogen 2.715 N/A LEU 334.A N ALA 388.A O no hydrogen 2.770 N/A ASP 335.A N LYS 343.A O no hydrogen 2.914 N/A ARG 339.A N GLY 337.A O no hydrogen 2.593 N/A VAL 342.A N VAL 359.A O no hydrogen 3.148 N/A LYS 343.A N ASP 335.A O no hydrogen 3.134 N/A LYS 343.A NZ THR 340.A OG1 no hydrogen 2.885 N/A LYS 343.A NZ GLY 341.A O no hydrogen 2.929 N/A VAL 344.A N ALA 357.A O no hydrogen 2.715 N/A ALA 345.A N GLY 333.A O no hydrogen 2.849 N/A VAL 346.A N ASP 355.A O no hydrogen 2.813 N/A VAL 347.A N THR 331.A O no hydrogen 2.995 N/A ASP 348.A N LYS 352.A O no hydrogen 2.825 N/A THR 350.A N ASP 348.A OD1 no hydrogen 3.053 N/A THR 350.A OG1 ASP 348.A OD1 no hydrogen 2.651 N/A THR 350.A OG1 ASP 348.A OD2 no hydrogen 3.002 N/A GLY 351.A N ASP 348.A O no hydrogen 2.838 N/A LYS 352.A N ASP 348.A OD1 no hydrogen 2.791 N/A LEU 354.A N VAL 346.A O no hydrogen 2.728 N/A ALA 357.A N VAL 344.A O no hydrogen 3.127 N/A VAL 359.A N VAL 342.A O no hydrogen 3.214 N/A HIS 362.A NE2 THR 398.A OG1 no hydrogen 3.216 N/A LYS 365.A N HIS 362.A O no hydrogen 3.325 N/A ASN 366.A N ALA 363.A O no hydrogen 3.153 N/A GLN 367.A N PRO 361.A O no hydrogen 3.198 N/A GLN 367.A NE2 GLN 370.A OE1 no hydrogen 2.791 N/A TRP 368.A N ASN 366.A OD1 no hydrogen 3.334 N/A TRP 368.A NE1 GLU 404.A OE2 no hydrogen 3.347 N/A THR 371.A N GLN 367.A O no hydrogen 3.106 N/A THR 371.A OG1 GLN 367.A O no hydrogen 2.855 N/A LEU 372.A N TRP 368.A O no hydrogen 3.361 N/A VAL 374.A N GLN 370.A O no hydrogen 3.242 N/A LEU 375.A N THR 371.A O no hydrogen 2.924 N/A ALA 376.A N LEU 372.A O no hydrogen 2.917 N/A ALA 377.A N ALA 373.A O no hydrogen 2.894 N/A LEU 378.A N VAL 374.A O no hydrogen 3.026 N/A CYS 379.A N LEU 375.A O no hydrogen 2.755 N/A CYS 379.A SG LEU 375.A O no hydrogen 3.410 N/A ALA 380.A N ALA 376.A O no hydrogen 2.938 N/A LYS 381.A N ALA 377.A O no hydrogen 2.814 N/A HIS 382.A N LEU 378.A O no hydrogen 2.895 N/A GLN 383.A N ALA 380.A O no hydrogen 3.401 N/A VAL 384.A N CYS 379.A O no hydrogen 2.804 N/A GLU 385.A N ALA 330.A O no hydrogen 3.239 N/A LEU 386.A N ALA 330.A O no hydrogen 3.406 N/A ILE 387.A N THR 415.A O no hydrogen 2.918 N/A ALA 388.A N LEU 332.A O no hydrogen 2.771 N/A ILE 389.A N ILE 417.A O no hydrogen 3.039 N/A GLY 390.A N LEU 334.A O no hydrogen 3.013 N/A ASN 391.A N VAL 419.A O no hydrogen 2.852 N/A SER 395.A N GLY 392.A O no hydrogen 3.041 N/A SER 395.A OG GLY 392.A O no hydrogen 3.002 N/A THR 398.A N ALA 394.A O no hydrogen 2.828 N/A THR 398.A OG1 HIS 362.A NE2 no hydrogen 3.216 N/A THR 398.A OG1 ALA 394.A O no hydrogen 2.749 N/A ASP 399.A N SER 395.A O no hydrogen 2.690 N/A LYS 400.A N ARG 396.A O no hydrogen 3.326 N/A ALA 402.A N THR 398.A O no hydrogen 3.090 N/A GLY 403.A N ASP 399.A O no hydrogen 3.032 N/A GLU 404.A N LYS 400.A O no hydrogen 3.002 N/A LEU 405.A N LEU 401.A O no hydrogen 2.758 N/A ILE 406.A N ALA 402.A O no hydrogen 2.974 N/A LYS 407.A N GLY 403.A O no hydrogen 3.213 N/A LYS 408.A N GLU 404.A O no hydrogen 2.939 N/A LYS 408.A NZ GLU 404.A OE2 no hydrogen 3.072 N/A TYR 409.A N LEU 405.A O no hydrogen 3.033 N/A MET 412.A N TYR 409.A O no hydrogen 3.015 N/A LYS 413.A N PRO 410.A O no hydrogen 3.214 N/A THR 415.A N GLU 385.A O no hydrogen 3.032 N/A LYS 416.A NZ ASP 399.A O no hydrogen 3.235 N/A LYS 416.A NZ ASP 399.A OD1 no hydrogen 3.131 N/A ILE 417.A N ILE 387.A O no hydrogen 2.896 N/A VAL 419.A N ILE 389.A O no hydrogen 2.664 N/A GLU 421.A N ASN 391.A OD1 no hydrogen 2.936 N/A SER 425.A OG ALA 422.A O no hydrogen 3.021 N/A TYR 427.A N GLY 423.A O no hydrogen 3.117 N/A TYR 427.A OH GLU 436.A OE1 no hydrogen 2.640 N/A SER 428.A N ALA 424.A O no hydrogen 2.955 N/A SER 428.A OG ALA 424.A O no hydrogen 3.177 N/A SER 428.A OG SER 425.A O no hydrogen 2.859 N/A ALA 429.A N VAL 426.A O no hydrogen 3.356 N/A SER 430.A N TYR 427.A O no hydrogen 2.856 N/A SER 430.A OG TYR 427.A O no hydrogen 2.557 N/A ALA 433.A N SER 430.A OG no hydrogen 2.990 N/A LYS 435.A N GLU 431.A O no hydrogen 3.075 N/A GLU 436.A N LEU 432.A O no hydrogen 3.075 N/A GLU 436.A N ALA 433.A O no hydrogen 3.142 N/A PHE 437.A N ALA 433.A O no hydrogen 2.761 N/A GLU 439.A N GLU 439.A OE2 no hydrogen 2.898 N/A LEU 440.A N PHE 437.A O no hydrogen 3.167 N/A SER 443.A N ASP 441.A OD1 no hydrogen 3.061 N/A SER 443.A OG ASP 441.A OD1 no hydrogen 2.648 N/A LEU 444.A N ASP 441.A O no hydrogen 3.204 N/A ARG 445.A N VAL 442.A O no hydrogen 3.006 N/A ARG 445.A NE PHE 437.A O no hydrogen 2.863 N/A ARG 445.A NH2 PHE 437.A O no hydrogen 2.751 N/A SER 449.A N ARG 445.A O no hydrogen 3.231 N/A SER 449.A OG GLU 460.A OE1 no hydrogen 2.831 N/A ILE 450.A N GLY 446.A O no hydrogen 2.868 N/A ALA 451.A N ALA 447.A O no hydrogen 3.204 N/A ARG 452.A N VAL 448.A O no hydrogen 3.104 N/A ARG 452.A NE GLY 351.A O no hydrogen 3.046 N/A ARG 452.A NH2 GLY 351.A O no hydrogen 3.053 N/A ARG 453.A N SER 449.A O no hydrogen 2.807 N/A ARG 453.A NH1 SER 420.A O no hydrogen 2.787 N/A LEU 454.A N ILE 450.A O no hydrogen 3.147 N/A GLN 455.A N ALA 451.A O no hydrogen 3.277 N/A GLN 455.A NE2 ARG 329.A O no hydrogen 2.752 N/A GLN 455.A NE2 ASP 348.A O no hydrogen 2.877 N/A ASP 456.A N ARG 452.A O no hydrogen 2.932 N/A ALA 459.A N ASP 456.A OD1 no hydrogen 3.493 N/A GLU 460.A N ASP 456.A O no hydrogen 3.203 N/A GLU 460.A N PRO 457.A O no hydrogen 3.235 N/A LEU 461.A N PRO 457.A O no hydrogen 2.849 N/A VAL 462.A N LEU 458.A O no hydrogen 3.144 N/A LYS 463.A N GLU 460.A O no hydrogen 3.139 N/A LYS 463.A NZ GLU 436.A OE1 no hydrogen 3.513 N/A LYS 463.A NZ GLU 436.A OE2 no hydrogen 3.385 N/A LYS 463.A NZ GLU 460.A OE2 no hydrogen 3.057 N/A ILE 464.A N LEU 461.A O no hydrogen 3.259 N/A LYS 467.A NZ GLU 465.A OE2 no hydrogen 2.975 N/A ILE 469.A N PRO 466.A O no hydrogen 3.229 N/A GLY 470.A N LYS 467.A O no hydrogen 2.890 N/A GLN 475.A NE2 GLY 472.A O no hydrogen 3.104 N/A ASP 477.A N TYR 474.A O no hydrogen 3.366 N/A VAL 478.A N GLN 475.A O no hydrogen 3.485 N/A GLN 480.A NE2 GLN 475.A O no hydrogen 2.849 N/A GLN 480.A NE2 VAL 478.A O no hydrogen 3.040 N/A LYS 482.A N SER 479.A OG no hydrogen 3.337 N/A LYS 482.A NZ GLU 306.A OE1 no hydrogen 2.974 N/A LYS 482.A NZ ASP 307.A OD2 no hydrogen 2.695 N/A LEU 483.A N SER 479.A O no hydrogen 3.102 N/A ALA 484.A N GLN 480.A O no hydrogen 2.834 N/A ARG 485.A N LEU 481.A O no hydrogen 3.044 N/A SER 486.A N LYS 482.A O no hydrogen 3.009 N/A LEU 487.A N LEU 483.A O no hydrogen 2.919 N/A ASP 488.A N ALA 484.A O no hydrogen 2.973 N/A ALA 489.A N ARG 485.A O no hydrogen 3.346 N/A ALA 489.A N SER 486.A O no hydrogen 3.113 N/A VAL 490.A N SER 486.A O no hydrogen 3.237 N/A VAL 491.A N LEU 487.A O no hydrogen 3.007 N/A GLU 492.A N ASP 488.A O no hydrogen 2.980 N/A ASP 493.A N ALA 489.A O no hydrogen 2.931 N/A CYS 494.A N VAL 490.A O no hydrogen 2.940 N/A CYS 494.A SG HIS 318.A ND1 no hydrogen 3.586 N/A CYS 494.A SG HIS 318.A O no hydrogen 4.047 N/A CYS 494.A SG VAL 490.A O no hydrogen 3.352 N/A VAL 495.A N VAL 491.A O no hydrogen 2.982 N/A ASN 496.A N GLU 492.A O no hydrogen 3.088 N/A ASN 496.A ND2 GLU 492.A O no hydrogen 2.720 N/A ASN 496.A ND2 ARG 512.A O no hydrogen 2.977 N/A ALA 497.A N ASP 493.A O no hydrogen 2.969 N/A VAL 498.A N CYS 494.A O no hydrogen 3.115 N/A GLY 499.A N VAL 495.A O no hydrogen 2.757 N/A VAL 500.A N PHE 557.A O no hydrogen 2.860 N/A VAL 502.A N ARG 559.A O no hydrogen 3.043 N/A ASN 503.A N ASP 501.A OD2 no hydrogen 3.011 N/A ASN 503.A ND2 PHE 534.A O no hydrogen 3.365 N/A THR 504.A N ASP 501.A O no hydrogen 3.250 N/A THR 504.A OG1 ASP 501.A O no hydrogen 3.410 N/A ALA 505.A N ASP 501.A O no hydrogen 2.944 N/A LEU 509.A N SER 506.A OG no hydrogen 3.223 N/A LEU 510.A N SER 506.A O no hydrogen 3.085 N/A ALA 511.A N ALA 507.A O no hydrogen 2.964 N/A ARG 512.A N LEU 509.A O no hydrogen 3.206 N/A ARG 512.A NH2 ASP 488.A OD1 no hydrogen 2.963 N/A ILE 513.A N LEU 510.A O no hydrogen 2.896 N/A SER 514.A N ASN 496.A OD1 no hydrogen 2.825 N/A SER 514.A OG THR 37.A OG1 no hydrogen 2.830 N/A SER 514.A OG GLN 553.A O no hydrogen 2.692 N/A LEU 516.A N ILE 513.A O no hydrogen 2.807 N/A LEU 520.A N ASN 517.A OD1 no hydrogen 2.839 N/A ALA 521.A N ASN 517.A O no hydrogen 2.852 N/A GLN 522.A N SER 518.A O no hydrogen 3.011 N/A ASN 523.A N THR 519.A O no hydrogen 2.851 N/A ASN 523.A ND2 SER 544.A O no hydrogen 3.277 N/A ILE 524.A N LEU 520.A O no hydrogen 2.968 N/A ILE 524.A N ALA 521.A O no hydrogen 3.268 N/A VAL 525.A N ALA 521.A O no hydrogen 3.159 N/A ALA 526.A N GLN 522.A O no hydrogen 2.986 N/A HIS 527.A N ASN 523.A O no hydrogen 2.981 N/A ARG 528.A N ILE 524.A O no hydrogen 2.988 N/A ARG 528.A NH1 VAL 502.A O no hydrogen 2.620 N/A ARG 528.A NH1 ALA 505.A O no hydrogen 2.799 N/A ARG 528.A NH2 ALA 505.A O no hydrogen 2.867 N/A ASP 529.A N VAL 525.A O no hydrogen 3.055 N/A ASP 529.A N ALA 526.A O no hydrogen 3.003 N/A ALA 530.A N ALA 526.A O no hydrogen 2.848 N/A ASN 531.A N HIS 527.A O no hydrogen 2.774 N/A GLY 532.A N ARG 528.A O no hydrogen 3.062 N/A PHE 534.A N ASN 503.A OD1 no hydrogen 2.909 N/A ARG 535.A N GLU 539.A OE2 no hydrogen 3.028 N/A ARG 535.A NE ASP 564.A OD2 no hydrogen 2.939 N/A ARG 535.A NH2 ASP 564.A OD1 no hydrogen 2.707 N/A ARG 537.A N ASP 568.A OD2 no hydrogen 2.811 N/A ARG 537.A NE LEU 558.A O no hydrogen 2.727 N/A ARG 537.A NH1 SER 570.A O no hydrogen 3.337 N/A ARG 537.A NH1 VAL 572.A O no hydrogen 2.784 N/A ARG 537.A NH1 TYR 577.A OH no hydrogen 3.073 N/A ARG 537.A NH2 LEU 558.A O no hydrogen 3.268 N/A ARG 537.A NH2 SER 570.A O no hydrogen 2.462 N/A GLU 539.A N THR 536.A O no hydrogen 3.063 N/A LEU 540.A N ARG 537.A O no hydrogen 2.849 N/A LYS 541.A N ASP 538.A O no hydrogen 3.319 N/A LYS 541.A NZ ASP 538.A OD1 no hydrogen 3.257 N/A LYS 542.A N GLU 539.A O no hydrogen 3.088 N/A VAL 543.A N LEU 540.A O no hydrogen 2.899 N/A LEU 546.A N VAL 543.A O no hydrogen 3.038 N/A PHE 551.A N GLY 547.A O no hydrogen 2.855 N/A GLU 552.A N GLU 548.A O no hydrogen 2.944 N/A GLN 553.A N LYS 549.A O no hydrogen 3.099 N/A ALA 554.A N THR 550.A O no hydrogen 2.917 N/A ALA 554.A N PHE 551.A O no hydrogen 3.194 N/A ALA 555.A N PHE 551.A O no hydrogen 2.793 N/A PHE 557.A N ALA 554.A O no hydrogen 2.749 N/A LEU 558.A N ALA 554.A O no hydrogen 3.211 N/A LEU 558.A N ALA 555.A O no hydrogen 2.955 N/A ARG 559.A N VAL 500.A O no hydrogen 2.614 N/A ARG 559.A NH2 VAL 498.A O no hydrogen 3.490 N/A ARG 559.A NH2 GLY 499.A O no hydrogen 2.990 N/A VAL 560.A N ASP 568.A O no hydrogen 2.762 N/A ASP 564.A N ARG 535.A O no hydrogen 3.304 N/A LEU 567.A N ASN 565.A OD1 no hydrogen 2.814 N/A ASP 568.A N ASN 565.A O no hydrogen 3.110 N/A SER 570.A N LEU 567.A O no hydrogen 3.104 N/A SER 570.A OG LEU 567.A O no hydrogen 2.894 N/A ALA 571.A N GLU 625.A OE1 no hydrogen 2.667 N/A VAL 572.A N SER 570.A OG no hydrogen 3.094 N/A HIS 573.A NE2 GLU 552.A O no hydrogen 2.798 N/A GLU 575.A N HIS 573.A ND1 no hydrogen 2.792 N/A THR 576.A N HIS 573.A O no hydrogen 2.816 N/A THR 576.A OG1 HIS 573.A O no hydrogen 2.772 N/A TYR 577.A N PRO 574.A O no hydrogen 2.989 N/A TYR 577.A OH ASP 568.A OD1 no hydrogen 2.690 N/A VAL 580.A N THR 576.A O no hydrogen 3.052 N/A GLN 581.A N TYR 577.A O no hydrogen 2.911 N/A ARG 582.A N PRO 578.A O no hydrogen 2.977 N/A ILE 583.A N LEU 579.A O no hydrogen 3.109 N/A ALA 584.A N VAL 580.A O no hydrogen 2.930 N/A ALA 585.A N GLN 581.A O no hydrogen 2.880 N/A ASP 586.A N ARG 582.A O no hydrogen 2.951 N/A THR 587.A N ILE 583.A O no hydrogen 3.023 N/A THR 587.A N ALA 584.A O no hydrogen 3.101 N/A THR 587.A OG1 ILE 583.A O no hydrogen 3.025 N/A THR 587.A OG1 ALA 584.A O no hydrogen 2.946 N/A GLU 588.A N ALA 585.A O no hydrogen 2.885 N/A ARG 589.A N ALA 584.A O no hydrogen 3.073 N/A ARG 589.A NH1 ASP 597.A OD1 no hydrogen 2.994 N/A ARG 589.A NH2 SER 593.A O no hydrogen 2.998 N/A ARG 589.A NH2 ASP 597.A OD1 no hydrogen 2.936 N/A LEU 594.A N ASP 590.A O no hydrogen 2.811 N/A LEU 594.A N ILE 591.A O no hydrogen 3.046 N/A ILE 595.A N ILE 591.A O no hydrogen 3.210 N/A GLY 596.A N LEU 626.A O no hydrogen 3.308 N/A ASP 597.A N LEU 594.A O no hydrogen 3.071 N/A SER 598.A N GLY 596.A O no hydrogen 2.904 N/A SER 598.A OG ASP 627.A OD2 no hydrogen 3.502 N/A LEU 601.A N ASP 597.A O no hydrogen 3.091 N/A LYS 602.A N SER 598.A O no hydrogen 3.044 N/A ARG 603.A N ALA 599.A O no hydrogen 3.159 N/A ARG 603.A N PHE 600.A O no hydrogen 2.925 N/A LEU 604.A N LEU 601.A O no hydrogen 3.167 N/A LYS 607.A N ASP 605.A OD1 no hydrogen 3.269 N/A LYS 608.A N ASP 605.A O no hydrogen 2.901 N/A PHE 609.A N PRO 606.A O no hydrogen 2.812 N/A THR 610.A OG1 LYS 607.A O no hydrogen 3.315 N/A ASP 611.A N PHE 614.A O no hydrogen 2.795 N/A PHE 614.A N ASP 611.A OD1 no hydrogen 2.681 N/A THR 618.A OG1 GLU 47.A OE1 no hydrogen 3.420 N/A VAL 619.A N GLY 615.A O no hydrogen 3.127 N/A THR 620.A N LEU 616.A O no hydrogen 2.742 N/A THR 620.A OG1 LEU 616.A O no hydrogen 2.620 N/A THR 620.A OG1 PRO 617.A O no hydrogen 3.069 N/A ASP 621.A N PRO 617.A O no hydrogen 2.987 N/A ILE 622.A N THR 618.A O no hydrogen 2.929 N/A LEU 623.A N VAL 619.A O no hydrogen 3.090 N/A LYS 624.A N THR 620.A O no hydrogen 3.216 N/A GLU 625.A N ASP 621.A O no hydrogen 2.922 N/A LEU 626.A N ILE 622.A O no hydrogen 2.921 N/A ASP 627.A N LEU 623.A O no hydrogen 3.165 N/A LYS 628.A N LYS 624.A O no hydrogen 2.961 N/A LYS 628.A NZ ASP 627.A OD2 no hydrogen 3.564 N/A GLY 630.A N GLU 625.A OE1 no hydrogen 2.867 N/A ARG 634.A N ASP 632.A OD2 no hydrogen 2.879 N/A ARG 634.A NE ASP 632.A OD1 no hydrogen 3.186 N/A ARG 634.A NE ASP 632.A OD2 no hydrogen 3.078 N/A ARG 634.A NH1 ASP 456.A OD1 no hydrogen 2.768 N/A ARG 634.A NH2 ASP 632.A OD1 no hydrogen 2.610 N/A GLU 641.A N LYS 638.A O no hydrogen 3.410 N/A LEU 652.A N LEU 649.A O no hydrogen 3.199 N/A LEU 658.A N VAL 707.A O no hydrogen 2.712 N/A GLY 660.A N VAL 705.A O no hydrogen 3.082 N/A VAL 661.A N ASP 673.A O no hydrogen 3.172 N/A VAL 662.A N ASP 703.A O no hydrogen 2.979 N/A THR 663.A N PHE 671.A O no hydrogen 2.692 N/A THR 663.A OG1 PHE 671.A O no hydrogen 2.907 N/A THR 663.A OG1 ASP 679.A OD2 no hydrogen 2.589 N/A ASN 664.A N PHE 671.A O no hydrogen 3.460 N/A ASN 664.A ND2 THR 663.A OG1 no hydrogen 3.168 N/A THR 666.A N GLY 669.A O no hydrogen 2.690 N/A THR 666.A OG1 GLY 669.A O no hydrogen 3.175 N/A PHE 668.A N THR 666.A OG1 no hydrogen 3.214 N/A GLY 669.A N THR 666.A O no hydrogen 3.281 N/A ALA 670.A N VAL 682.A O no hydrogen 2.828 N/A PHE 671.A N ASN 664.A O no hydrogen 2.806 N/A VAL 672.A N GLY 680.A O no hydrogen 2.796 N/A ASP 673.A N VAL 661.A O no hydrogen 2.749 N/A GLY 675.A N ASP 673.A OD1 no hydrogen 2.847 N/A GLY 680.A N VAL 672.A O no hydrogen 2.852 N/A VAL 682.A N ALA 670.A O no hydrogen 2.781 N/A ALA 686.A N HIS 683.A O no hydrogen 3.176 N/A LEU 687.A N ILE 684.A O no hydrogen 3.438 N/A LYS 690.A N SER 688.A OG no hydrogen 2.949 N/A TYR 696.A OH ASN 667.A OD1 no hydrogen 2.900 N/A GLU 697.A N ASP 694.A O no hydrogen 3.169 N/A VAL 699.A N PRO 695.A O no hydrogen 2.933 N/A LYS 700.A N ASP 703.A OD2 no hydrogen 3.260 N/A GLY 702.A N VAL 662.A O no hydrogen 2.803 N/A ASP 703.A N LYS 700.A O no hydrogen 3.071 N/A VAL 705.A N ASP 703.A O no hydrogen 3.132 N/A VAL 709.A N MET 656.A O no hydrogen 3.091 N/A MET 710.A N GLY 720.A O no hydrogen 2.755 N/A ASP 713.A N ARG 718.A O no hydrogen 2.797 N/A ARG 716.A N ASP 713.A OD2 no hydrogen 2.782 N/A ARG 716.A NE ARG 716.A O no hydrogen 3.301 N/A ARG 718.A N ASP 713.A O no hydrogen 2.871 N/A GLY 720.A N GLU 711.A O no hydrogen 3.145 N/A SER 722.A N LYS 708.A O no hydrogen 3.352 N/A SER 722.A OG LYS 708.A O no hydrogen 3.015 N/A