Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5urg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ TYR 56.A O no hydrogen 3.095 N/A GLU 5.A N GLU 55.A O no hydrogen 2.836 N/A GLU 10.A N SER 7.A OG no hydrogen 3.380 N/A LYS 11.A N SER 7.A O no hydrogen 3.044 N/A LYS 11.A NZ TYR 56.A OH no hydrogen 3.435 N/A MET 12.A N PHE 8.A O no hydrogen 2.835 N/A LYS 13.A N VAL 9.A O no hydrogen 2.798 N/A LYS 13.A NZ GLU 10.A OE2 no hydrogen 3.212 N/A LYS 13.A NZ GLU 66.A OE2 no hydrogen 2.878 N/A LYS 14.A N GLU 10.A O no hydrogen 2.952 N/A THR 15.A N LYS 11.A O no hydrogen 3.092 N/A THR 15.A N MET 12.A O no hydrogen 3.124 N/A THR 15.A OG1 LYS 11.A O no hydrogen 3.030 N/A THR 15.A OG1 MET 12.A O no hydrogen 3.439 N/A GLY 16.A N LYS 13.A O no hydrogen 3.091 N/A ARG 17.A N MET 12.A O no hydrogen 2.900 N/A ASN 18.A N ARG 47.A O no hydrogen 2.794 N/A ASN 18.A ND2 LYS 69.A O no hydrogen 3.404 N/A ILE 19.A N ARG 47.A O no hydrogen 3.395 N/A ILE 20.A N LEU 71.A O no hydrogen 3.039 N/A VAL 21.A N MET 49.A O no hydrogen 3.012 N/A PHE 22.A N VAL 73.A O no hydrogen 2.897 N/A TYR 23.A N ALA 51.A O no hydrogen 3.236 N/A GLY 24.A N CYS 75.A O no hydrogen 2.661 N/A GLU 32.A N GLY 28.A O no hydrogen 3.023 N/A PHE 33.A N THR 29.A O no hydrogen 3.210 N/A ALA 34.A N ALA 30.A O no hydrogen 3.014 N/A ASN 35.A N GLU 31.A O no hydrogen 2.964 N/A ARG 36.A N GLU 32.A O no hydrogen 2.816 N/A ARG 36.A NH1 GLU 152.A OE1 no hydrogen 2.702 N/A ARG 36.A NH1 GLU 152.A OE2 no hydrogen 3.437 N/A ARG 36.A NH2 THR 319.A OG1 no hydrogen 2.784 N/A LEU 37.A N PHE 33.A O no hydrogen 2.806 N/A SER 38.A N ALA 34.A O no hydrogen 2.938 N/A LYS 39.A N ASN 35.A O no hydrogen 3.050 N/A ASP 40.A N ARG 36.A O no hydrogen 3.138 N/A ALA 41.A N SER 38.A O no hydrogen 3.235 N/A TYR 44.A N ALA 41.A O no hydrogen 3.127 N/A GLY 45.A N HIS 42.A O no hydrogen 2.982 N/A MET 46.A N ALA 41.A O no hydrogen 3.007 N/A ARG 47.A N ASN 18.A OD1 no hydrogen 2.840 N/A MET 49.A N ILE 19.A O no hydrogen 3.097 N/A SER 50.A OG ASN 35.A OD1 no hydrogen 2.723 N/A ALA 51.A N VAL 21.A O no hydrogen 2.969 N/A GLU 54.A N ASP 52.A OD1 no hydrogen 3.430 N/A GLU 55.A N ASP 52.A O no hydrogen 2.829 N/A TYR 56.A N PRO 53.A O no hydrogen 3.431 N/A ALA 59.A N ASP 57.A OD1 no hydrogen 3.089 N/A ASP 60.A N ASP 57.A O no hydrogen 2.911 N/A LEU 61.A N LEU 58.A O no hydrogen 2.928 N/A SER 62.A N ALA 59.A O no hydrogen 3.212 N/A SER 62.A OG ALA 59.A O no hydrogen 3.073 N/A SER 63.A N ASP 60.A O no hydrogen 2.827 N/A LEU 64.A N LEU 61.A O no hydrogen 2.972 N/A GLU 66.A N SER 63.A O no hydrogen 2.857 N/A ILE 67.A N LEU 64.A O no hydrogen 3.092 N/A SER 70.A N ILE 67.A O no hydrogen 3.307 N/A SER 70.A OG LEU 64.A O no hydrogen 2.963 N/A SER 70.A OG ILE 67.A O no hydrogen 3.329 N/A LEU 71.A N ASN 18.A O no hydrogen 2.897 N/A VAL 72.A N LYS 106.A O no hydrogen 3.001 N/A VAL 73.A N ILE 20.A O no hydrogen 2.979 N/A PHE 74.A N ALA 108.A O no hydrogen 2.878 N/A CYS 75.A N PHE 22.A O no hydrogen 2.971 N/A MET 76.A N PHE 110.A O no hydrogen 3.144 N/A ALA 77.A N GLY 24.A O no hydrogen 2.857 N/A THR 78.A N LEU 112.A O no hydrogen 3.064 N/A TYR 79.A N ASP 83.A O no hydrogen 2.841 N/A ASP 83.A N TYR 79.A O no hydrogen 2.731 N/A ASP 83.A N GLY 80.A O no hydrogen 3.281 N/A THR 85.A OG1 ASN 87.A OD1 no hydrogen 2.496 N/A ASN 87.A ND2 TYR 23.A O no hydrogen 2.892 N/A ASN 87.A ND2 ASP 52.A OD1 no hydrogen 2.796 N/A ALA 88.A N THR 85.A O no hydrogen 2.776 N/A GLN 89.A N ASP 86.A O no hydrogen 2.829 N/A TYR 92.A N ALA 88.A O no hydrogen 2.911 N/A ASP 93.A N GLN 89.A O no hydrogen 2.916 N/A TRP 94.A N ASP 90.A O no hydrogen 2.873 N/A LEU 95.A N PHE 91.A O no hydrogen 2.856 N/A GLN 96.A N TYR 92.A O no hydrogen 3.305 N/A GLN 96.A N ASP 93.A O no hydrogen 2.949 N/A GLU 97.A N ASP 93.A O no hydrogen 3.180 N/A GLU 97.A N TRP 94.A O no hydrogen 2.954 N/A THR 98.A N TRP 94.A O no hydrogen 2.932 N/A VAL 100.A N THR 98.A OG1 no hydrogen 2.903 N/A LEU 102.A N LEU 134.A O no hydrogen 2.914 N/A THR 103.A N ASP 101.A OD2 no hydrogen 3.150 N/A THR 103.A OG1 ASP 101.A OD2 no hydrogen 2.531 N/A VAL 105.A N LEU 102.A O no hydrogen 2.941 N/A LYS 106.A NZ GLN 137.A OE1 no hydrogen 2.809 N/A PHE 107.A N GLN 137.A O no hydrogen 3.162 N/A ALA 108.A N VAL 72.A O no hydrogen 3.002 N/A PHE 110.A N PHE 74.A O no hydrogen 2.745 N/A GLY 111.A N GLY 143.A O no hydrogen 2.503 N/A LEU 112.A N MET 76.A O no hydrogen 2.732 N/A GLY 113.A N GLY 145.A O no hydrogen 2.995 N/A LYS 115.A NZ ASP 146.A OD2 no hydrogen 3.103 N/A THR 116.A N ASN 114.A OD1 no hydrogen 2.892 N/A THR 116.A OG1 ASN 114.A OD1 no hydrogen 2.813 N/A ASN 121.A ND2 GLY 111.A O no hydrogen 3.400 N/A ASN 121.A ND2 GLY 145.A O no hydrogen 3.027 N/A MET 123.A N THR 78.A OG1 no hydrogen 2.857 N/A LYS 125.A N ASN 121.A O no hydrogen 3.010 N/A TYR 126.A N ALA 122.A O no hydrogen 2.885 N/A VAL 127.A N MET 123.A O no hydrogen 2.850 N/A ASP 128.A N GLY 124.A O no hydrogen 3.035 N/A GLN 129.A N LYS 125.A O no hydrogen 3.038 N/A ARG 130.A N TYR 126.A O no hydrogen 2.736 N/A ARG 130.A NE LEU 95.A O no hydrogen 2.621 N/A ARG 130.A NH1 GLN 133.A OE1 no hydrogen 2.775 N/A ARG 130.A NH2 LEU 95.A O no hydrogen 3.415 N/A LEU 131.A N VAL 127.A O no hydrogen 3.191 N/A GLN 133.A N GLN 129.A O no hydrogen 3.240 N/A LEU 134.A N ARG 130.A O no hydrogen 3.006 N/A GLY 135.A N GLU 132.A O no hydrogen 2.939 N/A ALA 136.A N LEU 131.A O no hydrogen 2.980 N/A GLN 137.A N VAL 105.A O no hydrogen 2.860 N/A ARG 138.A NE ASP 128.A OD1 no hydrogen 2.599 N/A ARG 138.A NH1 GLU 132.A OE1 no hydrogen 3.448 N/A ARG 138.A NH2 ASP 128.A O no hydrogen 3.211 N/A ARG 138.A NH2 ASP 128.A OD1 no hydrogen 3.348 N/A ARG 138.A NH2 ASP 128.A OD2 no hydrogen 2.886 N/A ARG 138.A NH2 GLU 132.A OE2 no hydrogen 3.246 N/A ILE 139.A N PHE 107.A O no hydrogen 2.906 N/A GLY 143.A N VAL 109.A O no hydrogen 2.725 N/A GLY 145.A N GLY 111.A O no hydrogen 2.772 N/A ASP 146.A N ASP 154.A OD2 no hydrogen 3.045 N/A ASP 148.A N ASP 146.A OD1 no hydrogen 2.607 N/A GLY 149.A N ASP 146.A O no hydrogen 3.442 N/A GLU 153.A N ASN 150.A O no hydrogen 2.935 N/A GLU 153.A N ASN 150.A OD1 no hydrogen 2.881 N/A ASP 154.A N ASN 150.A O no hydrogen 3.216 N/A PHE 155.A N LEU 151.A O no hydrogen 2.867 N/A ILE 156.A N GLU 152.A O no hydrogen 3.046 N/A THR 157.A N GLU 153.A O no hydrogen 2.797 N/A THR 157.A OG1 GLU 153.A O no hydrogen 3.091 N/A TRP 158.A N ASP 154.A O no hydrogen 2.781 N/A TRP 158.A NE1 GLU 141.A O no hydrogen 3.069 N/A ARG 159.A N PHE 155.A O no hydrogen 2.797 N/A ARG 159.A NE ASP 40.A OD2 no hydrogen 2.963 N/A GLU 160.A N ILE 156.A O no hydrogen 2.924 N/A GLN 161.A N TRP 158.A O no hydrogen 2.960 N/A GLN 161.A NE2 THR 157.A O no hydrogen 2.798 N/A PHE 162.A N TRP 158.A O no hydrogen 2.895 N/A PHE 162.A N ARG 159.A O no hydrogen 3.118 N/A TRP 163.A N ARG 159.A O no hydrogen 3.448 N/A ALA 165.A N GLN 161.A O no hydrogen 3.412 N/A VAL 166.A N PHE 162.A O no hydrogen 2.973 N/A CYS 167.A N TRP 163.A O no hydrogen 2.839 N/A CYS 167.A SG TRP 163.A O no hydrogen 3.486 N/A GLU 168.A N PRO 164.A O no hydrogen 2.933 N/A PHE 169.A N ALA 165.A O no hydrogen 2.942 N/A PHE 170.A N VAL 166.A O no hydrogen 2.986 N/A VAL 172.A N CYS 167.A O no hydrogen 2.948 N/A THR 175.A N ARG 43.A O no hydrogen 3.204 N/A ARG 179.A NE GLU 382.A OE2 no hydrogen 3.036 N/A ARG 179.A NH1 ASP 378.A OD2 no hydrogen 2.555 N/A ARG 179.A NH2 ASP 378.A OD2 no hydrogen 2.965 N/A ARG 179.A NH2 GLU 382.A OE2 no hydrogen 3.283 N/A GLN 180.A N GLU 382.A OE1 no hydrogen 2.631 N/A GLN 180.A NE2 GLN 180.A O no hydrogen 3.642 N/A GLN 180.A NE2 ASN 286.A OD1 no hydrogen 3.346 N/A TYR 181.A N GLU 382.A OE2 no hydrogen 3.374 N/A GLU 182.A N ASN 285.A O no hydrogen 2.978 N/A VAL 184.A N SER 283.A O no hydrogen 3.053 N/A HIS 186.A N ILE 281.A O no hydrogen 3.182 N/A LYS 193.A N ASP 190.A O no hydrogen 2.621 N/A VAL 194.A N VAL 191.A O no hydrogen 3.242 N/A TYR 195.A N PRO 300.A O no hydrogen 2.875 N/A THR 196.A N GLU 198.A OE1 no hydrogen 2.669 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.504 N/A LYS 203.A N GLU 198.A OE2 no hydrogen 2.853 N/A LYS 203.A NZ ALA 192.A O no hydrogen 3.394 N/A SER 204.A N ARG 201.A O no hydrogen 2.920 N/A SER 204.A OG ARG 201.A O no hydrogen 2.819 N/A GLU 206.A N LYS 203.A O no hydrogen 3.108 N/A ASN 207.A N LYS 203.A O no hydrogen 2.800 N/A GLN 208.A NE2 SER 204.A O no hydrogen 3.115 N/A GLN 208.A NE2 PRO 217.A O no hydrogen 3.000 N/A ASP 213.A N ASN 216.A O no hydrogen 2.883 N/A LYS 215.A N ASP 213.A OD1 no hydrogen 3.007 N/A ASN 216.A N ASP 213.A O no hydrogen 2.869 N/A ASN 216.A ND2 LYS 209.A O no hydrogen 2.917 N/A ASN 216.A ND2 PRO 211.A O no hydrogen 2.800 N/A PHE 218.A N MET 443.A O no hydrogen 2.832 N/A LEU 219.A N GLN 208.A OE1 no hydrogen 2.625 N/A ALA 220.A N VAL 441.A O no hydrogen 2.963 N/A VAL 222.A N ALA 439.A O no hydrogen 2.878 N/A THR 223.A N GLU 240.A O no hydrogen 2.879 N/A THR 223.A OG1 GLU 240.A O no hydrogen 3.372 N/A ASN 225.A ND2 ARG 431.A O no hydrogen 3.314 N/A ASN 225.A ND2 LYS 433.A O no hydrogen 2.720 N/A ARG 226.A N HIS 238.A O no hydrogen 2.995 N/A ARG 226.A NH2 GLU 510.A OE2 no hydrogen 2.732 N/A LYS 227.A NZ ASN 229.A OD1 no hydrogen 2.910 N/A LYS 227.A NZ GLY 231.A O no hydrogen 2.918 N/A LEU 228.A N LEU 236.A O no hydrogen 2.742 N/A ASN 229.A ND2 ARG 234.A O no hydrogen 2.741 N/A GLN 230.A NE2 TYR 505.A O no hydrogen 2.902 N/A GLY 231.A N GLU 503.A O no hydrogen 2.789 N/A GLU 233.A N GLU 503.A OE1 no hydrogen 3.029 N/A LEU 236.A N ASN 229.A OD1 no hydrogen 3.083 N/A MET 237.A N ALA 409.A O no hydrogen 2.904 N/A HIS 238.A N ARG 226.A O no hydrogen 2.855 N/A HIS 238.A ND1 TYR 507.A OH no hydrogen 2.854 N/A HIS 238.A NE2 GLU 240.A OE1 no hydrogen 3.112 N/A LEU 239.A N ILE 407.A O no hydrogen 2.926 N/A GLU 240.A N ALA 224.A O no hydrogen 3.043 N/A LEU 241.A N VAL 405.A O no hydrogen 2.862 N/A ASP 242.A N ALA 221.A O no hydrogen 2.912 N/A ILE 243.A N ASN 403.A O no hydrogen 2.929 N/A SER 244.A N ASP 242.A OD1 no hydrogen 2.822 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.599 N/A SER 246.A N ILE 243.A O no hydrogen 3.191 N/A SER 246.A OG ILE 243.A O no hydrogen 2.774 N/A ILE 248.A N SER 246.A OG no hydrogen 3.151 N/A TYR 250.A OH SER 396.A OG no hydrogen 2.976 N/A TYR 250.A OH HIS 401.A O no hydrogen 2.891 N/A TYR 250.A OH SER 404.A O no hydrogen 2.774 N/A GLU 251.A N ASP 254.A OD2 no hydrogen 2.999 N/A SER 252.A OG SER 396.A O no hydrogen 3.244 N/A ASP 254.A N GLU 251.A O no hydrogen 3.086 N/A HIS 255.A N ARG 446.A O no hydrogen 3.169 N/A HIS 255.A NE2 ASP 607.A OD1 no hydrogen 2.832 N/A VAL 256.A N TYR 392.A O no hydrogen 2.751 N/A ALA 257.A N PHE 444.A O no hydrogen 2.849 N/A VAL 258.A N ARG 390.A O no hydrogen 2.842 N/A TYR 259.A N PRO 442.A O no hydrogen 3.161 N/A TYR 259.A OH ALA 214.A O no hydrogen 2.643 N/A ASN 262.A N THR 308.A O no hydrogen 2.960 N/A ASN 262.A ND2 LEU 307.A O no hydrogen 2.734 N/A ASN 262.A ND2 LEU 311.A O no hydrogen 2.930 N/A LEU 266.A N ASP 263.A OD2 no hydrogen 3.031 N/A VAL 267.A N ASP 263.A O no hydrogen 3.020 N/A ASN 268.A N SER 264.A O no hydrogen 2.798 N/A GLN 269.A N ALA 265.A O no hydrogen 2.923 N/A ILE 270.A N LEU 266.A O no hydrogen 3.046 N/A GLY 271.A N VAL 267.A O no hydrogen 3.151 N/A GLU 272.A N ASN 268.A O no hydrogen 2.935 N/A ILE 273.A N GLN 269.A O no hydrogen 2.998 N/A LEU 274.A N GLY 271.A O no hydrogen 3.297 N/A GLY 275.A N GLY 271.A O no hydrogen 3.003 N/A GLY 275.A N GLU 272.A O no hydrogen 3.082 N/A ALA 276.A N GLY 271.A O no hydrogen 3.171 N/A ASP 279.A N ASP 277.A OD1 no hydrogen 3.145 N/A VAL 280.A N ASP 277.A O no hydrogen 3.119 N/A MET 282.A N THR 301.A O no hydrogen 2.721 N/A ASN 285.A N GLU 182.A O no hydrogen 3.256 N/A ASN 286.A N LYS 294.A O no hydrogen 2.871 N/A ASN 286.A ND2 LYS 293.A O no hydrogen 2.968 N/A LEU 287.A N GLN 180.A O no hydrogen 2.777 N/A ASP 288.A N ASN 286.A OD1 no hydrogen 2.623 N/A SER 291.A N ASP 288.A O no hydrogen 3.097 N/A LYS 293.A N SER 291.A OG no hydrogen 3.136 N/A LYS 294.A NZ SER 291.A O no hydrogen 3.097 N/A CYS 299.A SG PHE 297.A O no hydrogen 3.184 N/A THR 301.A N MET 282.A O no hydrogen 2.944 N/A THR 301.A OG1 TYR 195.A O no hydrogen 2.841 N/A THR 302.A OG1 THR 305.A OG1 no hydrogen 2.977 N/A ARG 304.A N LEU 278.A O no hydrogen 2.840 N/A ARG 304.A NE ASP 279.A OD1 no hydrogen 2.799 N/A ARG 304.A NH2 ASP 279.A OD1 no hydrogen 3.299 N/A ARG 304.A NH2 ASP 279.A OD2 no hydrogen 3.068 N/A THR 305.A N THR 302.A OG1 no hydrogen 3.147 N/A THR 305.A OG1 THR 302.A OG1 no hydrogen 2.977 N/A ALA 306.A N THR 302.A O no hydrogen 3.069 N/A LEU 307.A N TYR 303.A O no hydrogen 2.759 N/A THR 308.A N ARG 304.A O no hydrogen 2.711 N/A THR 308.A OG1 ARG 304.A O no hydrogen 2.634 N/A TYR 309.A N THR 305.A O no hydrogen 2.767 N/A TYR 310.A N ALA 306.A O no hydrogen 2.854 N/A TYR 310.A OH GLU 198.A O no hydrogen 2.582 N/A LEU 311.A N ALA 306.A O no hydrogen 2.914 N/A ASP 312.A N PRO 385.A O no hydrogen 2.816 N/A THR 314.A N ASP 312.A OD1 no hydrogen 3.041 N/A ASN 315.A N ASP 312.A OD1 no hydrogen 2.971 N/A ASN 315.A ND2 ASP 312.A OD2 no hydrogen 2.639 N/A THR 319.A N GLU 152.A OE2 no hydrogen 2.836 N/A THR 319.A OG1 GLU 152.A OE2 no hydrogen 2.700 N/A ASN 320.A ND2 GLU 32.A OE2 no hydrogen 3.545 N/A VAL 321.A N ARG 318.A O no hydrogen 2.864 N/A LEU 322.A N ARG 318.A O no hydrogen 3.212 N/A TYR 323.A N THR 319.A O no hydrogen 2.831 N/A GLU 324.A N ASN 320.A O no hydrogen 3.023 N/A LEU 325.A N VAL 321.A O no hydrogen 3.119 N/A LEU 325.A N LEU 322.A O no hydrogen 3.130 N/A ALA 326.A N LEU 322.A O no hydrogen 3.122 N/A ALA 326.A N TYR 323.A O no hydrogen 3.370 N/A GLN 327.A NE2 SER 177.A OG no hydrogen 3.107 N/A GLN 327.A NE2 GLU 324.A O no hydrogen 3.054 N/A TYR 328.A N LEU 325.A O no hydrogen 2.736 N/A TYR 328.A OH HIS 379.A ND1 no hydrogen 2.499 N/A ALA 329.A N ALA 326.A O no hydrogen 2.862 N/A SER 330.A N SER 372.A O no hydrogen 3.162 N/A SER 333.A OG GLU 331.A OE2 no hydrogen 3.554 N/A GLU 334.A N GLU 331.A O no hydrogen 2.895 N/A GLN 335.A N GLU 331.A O no hydrogen 3.027 N/A GLU 336.A N PRO 332.A O no hydrogen 2.831 N/A HIS 337.A N SER 333.A O no hydrogen 2.969 N/A LEU 338.A N GLU 334.A O no hydrogen 3.002 N/A HIS 339.A N GLN 335.A O no hydrogen 2.957 N/A LYS 340.A N GLU 336.A O no hydrogen 2.931 N/A MET 341.A N LEU 338.A O no hydrogen 3.175 N/A SER 343.A N LYS 340.A O no hydrogen 3.020 N/A SER 343.A OG LYS 340.A O no hydrogen 2.486 N/A SER 344.A OG GLU 160.A OE1 no hydrogen 2.550 N/A SER 344.A OG GLU 160.A OE2 no hydrogen 3.373 N/A LYS 349.A N GLY 346.A O no hydrogen 3.076 N/A LYS 349.A NZ SER 344.A O no hydrogen 3.414 N/A GLU 350.A N GLY 346.A O no hydrogen 3.159 N/A LEU 351.A N GLU 347.A O no hydrogen 2.851 N/A TYR 352.A N GLY 348.A O no hydrogen 3.321 N/A TYR 352.A OH PRO 317.A O no hydrogen 3.231 N/A LEU 353.A N LYS 349.A O no hydrogen 3.209 N/A SER 354.A N GLU 350.A O no hydrogen 3.034 N/A SER 354.A OG GLU 350.A O no hydrogen 2.862 N/A SER 354.A OG LEU 351.A O no hydrogen 3.547 N/A TRP 355.A N LEU 351.A O no hydrogen 2.780 N/A VAL 356.A N TYR 352.A O no hydrogen 3.107 N/A VAL 357.A N TYR 352.A O no hydrogen 2.892 N/A GLU 358.A N LEU 353.A O no hydrogen 2.782 N/A ALA 359.A N SER 354.A O no hydrogen 3.028 N/A ARG 360.A N VAL 357.A O no hydrogen 2.954 N/A ARG 360.A NE TYR 414.A OH no hydrogen 3.299 N/A ARG 360.A NH1 ASN 315.A OD1 no hydrogen 3.189 N/A ARG 361.A N VAL 356.A O no hydrogen 3.176 N/A ARG 361.A NE ASP 369.A OD2 no hydrogen 2.507 N/A ARG 361.A NH1 TRP 355.A O no hydrogen 2.862 N/A ARG 361.A NH2 ASP 369.A OD2 no hydrogen 2.754 N/A ALA 365.A N HIS 362.A ND1 no hydrogen 3.105 N/A ILE 366.A N HIS 362.A O no hydrogen 3.130 N/A LEU 367.A N ILE 363.A O no hydrogen 2.990 N/A GLN 368.A N LEU 364.A O no hydrogen 2.973 N/A ASP 369.A N ALA 365.A O no hydrogen 2.915 N/A TYR 370.A N ILE 366.A O no hydrogen 2.941 N/A SER 372.A N GLU 334.A OE2 no hydrogen 2.940 N/A SER 372.A OG GLU 334.A OE2 no hydrogen 2.533 N/A LEU 373.A N TYR 370.A O no hydrogen 2.869 N/A ARG 374.A N TYR 328.A O no hydrogen 2.966 N/A ARG 374.A NH1 LEU 367.A O no hydrogen 3.311 N/A ARG 374.A NH1 LEU 373.A O no hydrogen 2.630 N/A HIS 379.A ND1 TYR 328.A OH no hydrogen 2.499 N/A LEU 380.A N PRO 376.A O no hydrogen 3.236 N/A CYS 381.A N ILE 377.A O no hydrogen 3.030 N/A CYS 381.A SG ILE 377.A O no hydrogen 3.508 N/A GLU 382.A N ASP 378.A O no hydrogen 3.179 N/A LEU 383.A N HIS 379.A O no hydrogen 3.171 N/A LEU 384.A N LEU 380.A O no hydrogen 2.961 N/A ARG 386.A NE TYR 310.A O no hydrogen 2.902 N/A ARG 386.A NH1 PRO 296.A O no hydrogen 3.419 N/A LEU 387.A N TYR 310.A O no hydrogen 2.743 N/A GLN 388.A NE2 ARG 386.A O no hydrogen 3.167 N/A ARG 390.A N VAL 258.A O no hydrogen 2.965 N/A ARG 390.A NH2 GLN 388.A O no hydrogen 2.808 N/A TYR 392.A N VAL 256.A O no hydrogen 2.970 N/A SER 393.A OG ASP 607.A OD2 no hydrogen 2.728 N/A ILE 394.A N ASP 254.A O no hydrogen 2.994 N/A ALA 395.A N HIS 406.A O no hydrogen 2.937 N/A SER 396.A OG TYR 250.A OH no hydrogen 2.976 N/A SER 397.A N GLN 477.A OE1 no hydrogen 3.155 N/A SER 397.A OG GLU 478.A OE1 no hydrogen 2.327 N/A SER 398.A OG TYR 250.A O no hydrogen 2.635 N/A SER 398.A OG GLU 251.A OE1 no hydrogen 3.208 N/A SER 398.A OG GLU 251.A OE2 no hydrogen 3.539 N/A LYS 399.A N SER 397.A OG no hydrogen 3.281 N/A LYS 399.A NZ GLU 251.A OE1 no hydrogen 3.330 N/A VAL 400.A N SER 397.A O no hydrogen 3.122 N/A HIS 401.A N SER 397.A O no hydrogen 2.631 N/A HIS 401.A ND1 GLN 477.A OE1 no hydrogen 3.185 N/A SER 404.A N HIS 401.A O no hydrogen 2.990 N/A SER 404.A OG LEU 241.A O no hydrogen 3.325 N/A VAL 405.A N LEU 241.A O no hydrogen 2.845 N/A HIS 406.A N SER 396.A OG no hydrogen 3.285 N/A ILE 407.A N LEU 239.A O no hydrogen 2.859 N/A ALA 409.A N MET 237.A O no hydrogen 3.087 N/A ALA 411.A N HIS 235.A O no hydrogen 2.914 N/A VAL 412.A N THR 427.A OG1 no hydrogen 2.953 N/A TYR 414.A N ASN 422.A O no hydrogen 3.269 N/A ALA 416.A N ARG 420.A O no hydrogen 2.973 N/A GLY 419.A N ALA 416.A O no hydrogen 2.766 N/A ARG 420.A N SER 418.A OG no hydrogen 3.388 N/A ARG 420.A NH1 GLN 368.A OE1 no hydrogen 2.737 N/A ARG 420.A NH1 ASP 369.A OD1 no hydrogen 3.184 N/A ARG 420.A NH2 ASP 369.A OD1 no hydrogen 3.294 N/A ARG 420.A NH2 ASP 369.A OD2 no hydrogen 3.144 N/A ARG 420.A NH2 SER 418.A O no hydrogen 3.033 N/A ASN 422.A N TYR 414.A O no hydrogen 3.025 N/A GLY 424.A N VAL 412.A O no hydrogen 3.085 N/A SER 428.A N GLY 424.A O no hydrogen 3.067 N/A SER 428.A OG GLY 424.A O no hydrogen 2.688 N/A TRP 429.A N VAL 425.A O no hydrogen 3.191 N/A LEU 430.A N ALA 426.A O no hydrogen 2.856 N/A ARG 431.A N THR 427.A O no hydrogen 2.876 N/A ALA 432.A N SER 428.A O no hydrogen 3.057 N/A ALA 432.A N TRP 429.A O no hydrogen 3.259 N/A LYS 433.A N LEU 430.A O no hydrogen 2.965 N/A LYS 433.A NZ LEU 440.A O no hydrogen 2.746 N/A VAL 441.A N ALA 220.A O no hydrogen 2.729 N/A MET 443.A N PHE 218.A O no hydrogen 2.867 N/A PHE 444.A N ALA 257.A O no hydrogen 3.148 N/A ARG 446.A N HIS 255.A O no hydrogen 2.929 N/A SER 448.A N ASP 254.A OD1 no hydrogen 2.840 N/A SER 448.A OG GLY 253.A O no hydrogen 2.475 N/A PHE 450.A N SER 448.A OG no hydrogen 3.114 N/A ARG 451.A NH1 ASP 254.A OD1 no hydrogen 2.891 N/A ARG 451.A NH1 PHE 450.A O no hydrogen 3.425 N/A ARG 451.A NH2 ASP 254.A OD1 no hydrogen 2.691 N/A SER 456.A OG GLU 488.A O no hydrogen 2.422 N/A THR 458.A N LYS 455.A O no hydrogen 3.308 N/A THR 458.A OG1 LYS 455.A O no hydrogen 3.559 N/A VAL 460.A N GLU 491.A O no hydrogen 2.832 N/A ILE 461.A N HIS 558.A O no hydrogen 2.859 N/A MET 462.A N LEU 493.A O no hydrogen 2.843 N/A VAL 463.A N TYR 560.A O no hydrogen 2.847 N/A GLY 464.A N TYR 495.A O no hydrogen 3.000 N/A GLY 466.A N GLY 497.A O no hydrogen 2.745 N/A GLY 468.A N PRO 465.A O no hydrogen 2.929 N/A ILE 469.A N GLY 466.A O no hydrogen 3.089 N/A ALA 470.A N THR 467.A O no hydrogen 3.012 N/A MET 473.A N ILE 469.A O no hydrogen 3.251 N/A MET 473.A N ALA 470.A O no hydrogen 3.372 N/A GLY 474.A N PRO 471.A O no hydrogen 3.188 N/A PHE 475.A N PRO 471.A O no hydrogen 3.261 N/A ILE 476.A N PHE 472.A O no hydrogen 2.853 N/A GLN 477.A N MET 473.A O no hydrogen 3.002 N/A GLN 477.A NE2 ALA 395.A O no hydrogen 3.641 N/A GLU 478.A N GLY 474.A O no hydrogen 2.832 N/A ARG 479.A N PHE 475.A O no hydrogen 2.785 N/A ARG 479.A NE THR 492.A OG1 no hydrogen 3.025 N/A ARG 479.A NH1 THR 458.A O no hydrogen 3.212 N/A ARG 479.A NH2 THR 458.A O no hydrogen 2.888 N/A ARG 479.A NH2 GLU 491.A O no hydrogen 3.250 N/A ARG 479.A NH2 THR 492.A OG1 no hydrogen 3.330 N/A ALA 480.A N ILE 476.A O no hydrogen 3.036 N/A TRP 481.A N GLN 477.A O no hydrogen 3.058 N/A LEU 482.A N GLU 478.A O no hydrogen 2.867 N/A ARG 483.A N ARG 479.A O no hydrogen 3.209 N/A ARG 483.A NH2 ASP 517.A O no hydrogen 2.826 N/A GLU 484.A N ALA 480.A O no hydrogen 3.109 N/A GLN 485.A N TRP 481.A O no hydrogen 2.870 N/A GLY 486.A N ARG 483.A O no hydrogen 2.691 N/A GLY 490.A N SER 456.A O no hydrogen 2.944 N/A THR 492.A N THR 521.A OG1 no hydrogen 2.896 N/A LEU 493.A N VAL 460.A O no hydrogen 2.839 N/A LEU 494.A N GLN 522.A O no hydrogen 3.033 N/A TYR 495.A N MET 462.A O no hydrogen 2.649 N/A TYR 495.A OH ASP 544.A OD2 no hydrogen 2.545 N/A TYR 496.A N ASN 524.A O no hydrogen 2.763 N/A TYR 496.A OH ASP 504.A O no hydrogen 3.104 N/A CYS 498.A N ALA 526.A O no hydrogen 2.925 N/A ARG 499.A N ASP 504.A OD1 no hydrogen 2.921 N/A ARG 499.A NH1 GLU 233.A OE2 no hydrogen 3.404 N/A ARG 500.A N ASP 504.A OD1 no hydrogen 3.499 N/A ARG 500.A NH1 GLU 233.A OE2 no hydrogen 3.341 N/A SER 501.A N GLU 530.A OE1 no hydrogen 2.739 N/A SER 501.A OG GLU 530.A OE1 no hydrogen 2.819 N/A GLU 503.A N ARG 500.A O no hydrogen 2.789 N/A ASP 504.A N ARG 500.A O no hydrogen 3.205 N/A TYR 505.A N GLN 230.A OE1 no hydrogen 3.208 N/A LEU 506.A N TYR 496.A OH no hydrogen 3.050 N/A TYR 507.A OH HIS 238.A ND1 no hydrogen 2.854 N/A ARG 508.A NE GLU 509.A OE2 no hydrogen 3.197 N/A ARG 508.A NH1 SER 501.A O no hydrogen 2.893 N/A ARG 508.A NH2 GLU 509.A OE2 no hydrogen 3.143 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.711 N/A LEU 511.A N TYR 507.A O no hydrogen 2.844 N/A ALA 512.A N ARG 508.A O no hydrogen 3.001 N/A ARG 513.A N GLU 509.A O no hydrogen 2.928 N/A PHE 514.A N GLU 510.A O no hydrogen 2.994 N/A HIS 515.A N LEU 511.A O no hydrogen 2.990 N/A LYS 516.A N ALA 512.A O no hydrogen 2.961 N/A LYS 516.A NZ ASP 517.A OD1 no hydrogen 2.908 N/A ASP 517.A N ARG 513.A O no hydrogen 2.947 N/A GLY 518.A N HIS 515.A O no hydrogen 2.863 N/A ALA 519.A N PHE 514.A O no hydrogen 2.814 N/A LEU 520.A N PHE 514.A O no hydrogen 3.228 N/A THR 521.A N THR 492.A O no hydrogen 2.899 N/A THR 521.A OG1 THR 492.A O no hydrogen 3.537 N/A ASN 524.A N LEU 494.A O no hydrogen 2.892 N/A ASN 524.A ND2 GLN 522.A OE1 no hydrogen 2.974 N/A ALA 526.A N TYR 496.A O no hydrogen 2.835 N/A SER 528.A N CYS 498.A O no hydrogen 2.882 N/A SER 528.A OG CYS 498.A O no hydrogen 3.205 N/A ARG 529.A N ARG 499.A O no hydrogen 2.861 N/A GLU 530.A N PHE 527.A O no hydrogen 3.484 N/A GLN 531.A NE2 PHE 527.A O no hydrogen 2.997 N/A GLN 531.A NE2 HIS 533.A O no hydrogen 2.774 N/A TYR 536.A N HIS 539.A ND1 no hydrogen 2.751 N/A GLN 538.A N GLN 538.A OE1 no hydrogen 2.599 N/A HIS 539.A N TYR 536.A O no hydrogen 3.008 N/A LEU 540.A N VAL 537.A O no hydrogen 3.056 N/A LEU 541.A N VAL 537.A O no hydrogen 2.939 N/A LYS 542.A N GLN 538.A O no hydrogen 2.798 N/A ARG 543.A N HIS 539.A O no hydrogen 2.962 N/A ARG 543.A NE ASP 544.A OD1 no hydrogen 2.935 N/A ARG 543.A NH2 ASN 524.A OD1 no hydrogen 3.235 N/A ARG 543.A NH2 ASP 544.A OD1 no hydrogen 3.374 N/A ARG 543.A NH2 ASP 544.A OD2 no hydrogen 2.985 N/A ASP 544.A N LEU 540.A O no hydrogen 2.913 N/A ARG 545.A N LYS 542.A O no hydrogen 3.155 N/A ARG 545.A NH1 LYS 542.A O no hydrogen 2.663 N/A HIS 547.A NE2 GLU 491.A OE1 no hydrogen 2.780 N/A LEU 548.A N ASP 544.A O no hydrogen 2.992 N/A TRP 549.A N ARG 545.A O no hydrogen 2.952 N/A LYS 550.A N GLU 546.A O no hydrogen 3.240 N/A LEU 551.A N HIS 547.A O no hydrogen 2.940 N/A ILE 552.A N LEU 548.A O no hydrogen 2.816 N/A HIS 553.A N TRP 549.A O no hydrogen 2.898 N/A HIS 553.A ND1 TYR 594.A OH no hydrogen 2.879 N/A GLU 554.A N LYS 550.A O no hydrogen 3.126 N/A ALA 557.A N LEU 551.A O no hydrogen 2.899 N/A HIS 558.A N PRO 459.A O no hydrogen 2.931 N/A ILE 559.A N ARG 603.A O no hydrogen 2.627 N/A TYR 560.A N ILE 461.A O no hydrogen 2.945 N/A TYR 560.A OH ARG 451.A O no hydrogen 2.492 N/A VAL 561.A N SER 605.A O no hydrogen 2.873 N/A CYS 562.A N VAL 463.A O no hydrogen 2.971 N/A CYS 562.A SG GLY 468.A O no hydrogen 3.348 N/A CYS 562.A SG ASP 607.A O no hydrogen 3.456 N/A CYS 562.A SG ASP 607.A OD2 no hydrogen 3.735 N/A GLY 563.A N ASP 607.A O no hydrogen 3.253 N/A ARG 566.A NE SER 610.A OXT no hydrogen 2.928 N/A ARG 566.A NH1 SER 610.A OXT no hydrogen 3.104 N/A ALA 569.A N ALA 565.A O no hydrogen 3.184 N/A LYS 570.A N ARG 566.A O no hydrogen 2.995 N/A ASP 571.A N ASN 567.A O no hydrogen 2.794 N/A VAL 572.A N MET 568.A O no hydrogen 2.879 N/A GLN 573.A N ALA 569.A O no hydrogen 2.958 N/A GLN 573.A NE2 TYR 577.A OH no hydrogen 2.675 N/A ASN 574.A N LYS 570.A O no hydrogen 2.781 N/A THR 575.A N ASP 571.A O no hydrogen 3.001 N/A THR 575.A OG1 ASP 571.A O no hydrogen 3.356 N/A PHE 576.A N VAL 572.A O no hydrogen 3.097 N/A TYR 577.A N GLN 573.A O no hydrogen 3.068 N/A ASP 578.A N ASN 574.A O no hydrogen 3.066 N/A ILE 579.A N THR 575.A O no hydrogen 2.940 N/A VAL 580.A N PHE 576.A O no hydrogen 3.050 N/A ALA 581.A N TYR 577.A O no hydrogen 2.810 N/A GLU 582.A N ASP 578.A O no hydrogen 2.979 N/A PHE 583.A N ILE 579.A O no hydrogen 3.083 N/A GLY 584.A N VAL 580.A O no hydrogen 2.933 N/A MET 586.A N ALA 581.A O no hydrogen 3.008 N/A ALA 591.A N GLU 587.A O no hydrogen 2.969 N/A VAL 592.A N HIS 588.A O no hydrogen 2.905 N/A ASP 593.A N THR 589.A O no hydrogen 3.188 N/A TYR 594.A N GLN 590.A O no hydrogen 2.931 N/A TYR 594.A OH HIS 553.A ND1 no hydrogen 2.879 N/A VAL 595.A N ALA 591.A O no hydrogen 3.064 N/A LYS 596.A N VAL 592.A O no hydrogen 2.900 N/A LYS 597.A N ASP 593.A O no hydrogen 2.864 N/A LYS 597.A N TYR 594.A O no hydrogen 3.106 N/A LEU 598.A N TYR 594.A O no hydrogen 3.118 N/A LEU 598.A N VAL 595.A O no hydrogen 2.914 N/A MET 599.A N VAL 595.A O no hydrogen 3.298 N/A THR 600.A N LYS 596.A O no hydrogen 3.349 N/A THR 600.A OG1 LYS 597.A O no hydrogen 3.162 N/A LYS 601.A N LEU 598.A O no hydrogen 3.206 N/A GLY 602.A N MET 599.A O no hydrogen 2.590 N/A ARG 603.A N LEU 598.A O no hydrogen 2.710 N/A ARG 603.A NE GLY 556.A O no hydrogen 3.062 N/A ARG 603.A NE ALA 557.A O no hydrogen 3.164 N/A ARG 603.A NH2 ILE 552.A O no hydrogen 2.673 N/A ARG 603.A NH2 ALA 557.A O no hydrogen 2.956 N/A SER 605.A N ILE 559.A O no hydrogen 2.752 N/A ASP 607.A N VAL 561.A O no hydrogen 2.943 N/A TRP 609.A N GLY 563.A O no hydrogen 2.845 N/A TRP 609.A NE1 ASP 607.A OD2 no hydrogen 3.087 N/A SER 610.A OG PHE 564.A O no hydrogen 3.194 N/A