Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5urh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 54.A O no hydrogen 2.904 N/A LYS 4.A NZ TYR 56.A O no hydrogen 3.003 N/A LYS 4.A NZ ASP 90.A OD2 no hydrogen 2.912 N/A GLU 5.A N GLU 55.A O no hydrogen 2.793 N/A GLU 10.A N SER 7.A OG no hydrogen 2.991 N/A LYS 11.A N SER 7.A O no hydrogen 3.234 N/A LYS 11.A NZ TYR 56.A OH no hydrogen 3.096 N/A MET 12.A N PHE 8.A O no hydrogen 2.881 N/A LYS 13.A N VAL 9.A O no hydrogen 2.974 N/A LYS 13.A NZ GLU 10.A OE2 no hydrogen 3.284 N/A LYS 13.A NZ GLU 66.A OE2 no hydrogen 2.667 N/A LYS 14.A N GLU 10.A O no hydrogen 3.113 N/A THR 15.A N LYS 11.A O no hydrogen 3.197 N/A THR 15.A OG1 LYS 11.A O no hydrogen 2.766 N/A THR 15.A OG1 MET 12.A O no hydrogen 3.569 N/A GLY 16.A N LYS 13.A O no hydrogen 3.112 N/A ARG 17.A N MET 12.A O no hydrogen 2.797 N/A ASN 18.A N ARG 47.A O no hydrogen 2.897 N/A ASN 18.A ND2 LYS 69.A O no hydrogen 3.274 N/A ILE 19.A N ARG 47.A O no hydrogen 3.351 N/A ILE 20.A N LEU 71.A O no hydrogen 3.275 N/A VAL 21.A N MET 49.A O no hydrogen 2.862 N/A PHE 22.A N VAL 73.A O no hydrogen 2.951 N/A TYR 23.A N ALA 51.A O no hydrogen 3.249 N/A GLY 24.A N CYS 75.A O no hydrogen 2.938 N/A SER 25.A N ASN 87.A OD1 no hydrogen 2.966 N/A THR 27.A OG1 TYR 79.A OH no hydrogen 2.981 N/A GLU 32.A N GLY 28.A O no hydrogen 3.219 N/A GLU 32.A N THR 29.A O no hydrogen 2.802 N/A PHE 33.A N THR 29.A O no hydrogen 3.082 N/A ALA 34.A N ALA 30.A O no hydrogen 2.891 N/A ASN 35.A N GLU 31.A O no hydrogen 3.093 N/A ARG 36.A N GLU 32.A O no hydrogen 3.011 N/A ARG 36.A NH1 GLU 152.A OE1 no hydrogen 3.168 N/A ARG 36.A NH1 GLU 152.A OE2 no hydrogen 3.504 N/A ARG 36.A NH2 GLU 152.A OE2 no hydrogen 3.293 N/A LEU 37.A N PHE 33.A O no hydrogen 2.893 N/A SER 38.A N ALA 34.A O no hydrogen 2.838 N/A LYS 39.A N ASN 35.A O no hydrogen 3.118 N/A LYS 39.A NZ ASN 35.A O no hydrogen 3.483 N/A LYS 39.A NZ GLN 179.A OE1 no hydrogen 3.156 N/A ASP 40.A N ARG 36.A O no hydrogen 2.913 N/A ALA 41.A N LEU 37.A O no hydrogen 3.200 N/A HIS 42.A N LYS 39.A O no hydrogen 3.392 N/A ARG 43.A N ASP 40.A O no hydrogen 2.759 N/A ARG 43.A NH1 TYR 44.A OH no hydrogen 3.500 N/A ARG 43.A NH2 ASP 40.A OD1 no hydrogen 3.429 N/A ARG 43.A NH2 TYR 44.A OH no hydrogen 3.497 N/A TYR 44.A N ALA 41.A O no hydrogen 3.088 N/A GLY 45.A N HIS 42.A O no hydrogen 3.423 N/A ARG 47.A N ASN 18.A OD1 no hydrogen 2.931 N/A MET 49.A N ILE 19.A O no hydrogen 3.046 N/A SER 50.A OG ASN 35.A OD1 no hydrogen 2.575 N/A ALA 51.A N VAL 21.A O no hydrogen 2.830 N/A GLU 54.A N ASP 52.A OD1 no hydrogen 2.749 N/A GLU 55.A N ASP 52.A O no hydrogen 3.204 N/A TYR 56.A N PRO 53.A O no hydrogen 3.014 N/A ALA 59.A N ASP 57.A OD1 no hydrogen 3.167 N/A ASP 60.A N ASP 57.A O no hydrogen 3.095 N/A LEU 61.A N LEU 58.A O no hydrogen 2.609 N/A SER 62.A N ALA 59.A O no hydrogen 3.253 N/A SER 62.A OG ALA 59.A O no hydrogen 3.099 N/A SER 63.A N ASP 60.A O no hydrogen 2.855 N/A LEU 64.A N LEU 61.A O no hydrogen 2.957 N/A GLU 66.A N SER 63.A O no hydrogen 3.055 N/A ILE 67.A N LEU 64.A O no hydrogen 3.066 N/A SER 70.A OG LEU 64.A O no hydrogen 2.947 N/A SER 70.A OG ILE 67.A O no hydrogen 3.376 N/A LEU 71.A N ASN 18.A O no hydrogen 3.021 N/A VAL 72.A N LYS 106.A O no hydrogen 3.055 N/A VAL 73.A N ILE 20.A O no hydrogen 2.960 N/A PHE 74.A N ALA 108.A O no hydrogen 3.041 N/A CYS 75.A N PHE 22.A O no hydrogen 3.035 N/A MET 76.A N PHE 110.A O no hydrogen 3.046 N/A ALA 77.A N GLY 24.A O no hydrogen 2.996 N/A THR 78.A N LEU 112.A O no hydrogen 3.235 N/A TYR 79.A N ASP 83.A O no hydrogen 2.833 N/A TYR 79.A OH THR 27.A OG1 no hydrogen 2.981 N/A ASP 83.A N TYR 79.A O no hydrogen 2.733 N/A THR 85.A OG1 ASN 87.A OD1 no hydrogen 2.638 N/A ASP 86.A N GLN 26.A OE1 no hydrogen 3.404 N/A ASN 87.A ND2 TYR 23.A O no hydrogen 2.848 N/A ASN 87.A ND2 ASP 52.A OD1 no hydrogen 2.968 N/A ASN 87.A ND2 ASP 52.A OD2 no hydrogen 3.273 N/A ALA 88.A N THR 85.A O no hydrogen 2.818 N/A GLN 89.A N ASP 86.A O no hydrogen 3.357 N/A TYR 92.A N ALA 88.A O no hydrogen 2.880 N/A ASP 93.A N GLN 89.A O no hydrogen 2.886 N/A TRP 94.A N ASP 90.A O no hydrogen 3.044 N/A LEU 95.A N PHE 91.A O no hydrogen 2.954 N/A GLN 96.A N TYR 92.A O no hydrogen 3.320 N/A GLU 97.A N ASP 93.A O no hydrogen 3.216 N/A THR 98.A N TRP 94.A O no hydrogen 2.786 N/A VAL 100.A N THR 98.A OG1 no hydrogen 2.937 N/A LEU 102.A N LEU 134.A O no hydrogen 2.875 N/A THR 103.A N ASP 101.A OD2 no hydrogen 3.278 N/A THR 103.A OG1 ASP 101.A OD1 no hydrogen 3.151 N/A THR 103.A OG1 ASP 101.A OD2 no hydrogen 2.697 N/A VAL 105.A N LEU 102.A O no hydrogen 2.861 N/A LYS 106.A NZ GLN 137.A OE1 no hydrogen 2.744 N/A PHE 107.A N GLN 137.A O no hydrogen 3.049 N/A ALA 108.A N VAL 72.A O no hydrogen 3.164 N/A PHE 110.A N PHE 74.A O no hydrogen 2.942 N/A GLY 111.A N GLY 143.A O no hydrogen 2.894 N/A LEU 112.A N MET 76.A O no hydrogen 2.811 N/A GLY 113.A N GLY 145.A O no hydrogen 3.036 N/A LYS 115.A N ASP 146.A OD1 no hydrogen 2.766 N/A THR 116.A N ASN 114.A OD1 no hydrogen 2.876 N/A THR 116.A OG1 ASN 114.A OD1 no hydrogen 3.325 N/A TYR 117.A N ASN 114.A O no hydrogen 3.282 N/A PHE 120.A N GLU 118.A O no hydrogen 3.218 N/A ASN 121.A ND2 GLY 111.A O no hydrogen 3.653 N/A ASN 121.A ND2 GLY 145.A O no hydrogen 3.111 N/A ALA 122.A N HIS 119.A O no hydrogen 3.415 N/A MET 123.A N THR 78.A OG1 no hydrogen 3.034 N/A LYS 125.A N ASN 121.A O no hydrogen 3.127 N/A LYS 125.A NZ PHE 120.A O no hydrogen 3.408 N/A TYR 126.A N ALA 122.A O no hydrogen 2.977 N/A VAL 127.A N MET 123.A O no hydrogen 3.094 N/A ASP 128.A N GLY 124.A O no hydrogen 3.069 N/A GLN 129.A N LYS 125.A O no hydrogen 3.007 N/A ARG 130.A N TYR 126.A O no hydrogen 2.845 N/A ARG 130.A NE LEU 95.A O no hydrogen 2.791 N/A ARG 130.A NH1 GLN 133.A OE1 no hydrogen 2.965 N/A ARG 130.A NH2 LEU 95.A O no hydrogen 3.319 N/A ARG 130.A NH2 THR 98.A O no hydrogen 3.153 N/A LEU 131.A N VAL 127.A O no hydrogen 3.164 N/A GLU 132.A N GLN 129.A O no hydrogen 3.024 N/A GLN 133.A N GLN 129.A O no hydrogen 3.081 N/A LEU 134.A N ARG 130.A O no hydrogen 3.011 N/A GLY 135.A N GLU 132.A O no hydrogen 2.952 N/A ALA 136.A N LEU 131.A O no hydrogen 2.993 N/A GLN 137.A N VAL 105.A O no hydrogen 2.793 N/A ARG 138.A NE ASP 128.A OD1 no hydrogen 2.786 N/A ARG 138.A NH1 GLU 132.A OE2 no hydrogen 3.483 N/A ARG 138.A NH2 ASP 128.A OD1 no hydrogen 3.282 N/A ARG 138.A NH2 ASP 128.A OD2 no hydrogen 2.626 N/A ARG 138.A NH2 GLU 132.A OE2 no hydrogen 3.119 N/A ILE 139.A N PHE 107.A O no hydrogen 2.730 N/A GLY 143.A N VAL 109.A O no hydrogen 2.882 N/A GLY 145.A N GLY 111.A O no hydrogen 2.800 N/A ASP 146.A N ASP 154.A OD2 no hydrogen 2.802 N/A ASP 147.A N GLY 113.A O no hydrogen 2.789 N/A ASP 148.A N ASP 146.A OD1 no hydrogen 3.101 N/A GLY 149.A N ASP 146.A O no hydrogen 3.163 N/A GLU 153.A N ASN 150.A OD1 no hydrogen 3.030 N/A ASP 154.A N ASN 150.A O no hydrogen 3.308 N/A PHE 155.A N LEU 151.A O no hydrogen 3.029 N/A ILE 156.A N GLU 152.A O no hydrogen 3.123 N/A THR 157.A N GLU 153.A O no hydrogen 3.042 N/A THR 157.A OG1 GLU 153.A O no hydrogen 2.867 N/A TRP 158.A N ASP 154.A O no hydrogen 2.971 N/A TRP 158.A NE1 GLU 141.A O no hydrogen 3.040 N/A ARG 159.A N PHE 155.A O no hydrogen 2.742 N/A ARG 159.A NE ASP 40.A OD2 no hydrogen 2.507 N/A ARG 159.A NH2 ASP 40.A OD1 no hydrogen 2.609 N/A GLU 160.A N ILE 156.A O no hydrogen 2.811 N/A GLN 161.A N THR 157.A O no hydrogen 3.316 N/A GLN 161.A N TRP 158.A O no hydrogen 3.165 N/A PHE 162.A N TRP 158.A O no hydrogen 2.878 N/A TRP 163.A N ARG 159.A O no hydrogen 3.413 N/A TRP 163.A NE1 ASP 40.A OD2 no hydrogen 3.238 N/A ALA 165.A N GLN 161.A O no hydrogen 3.262 N/A VAL 166.A N PHE 162.A O no hydrogen 2.863 N/A CYS 167.A N TRP 163.A O no hydrogen 2.767 N/A CYS 167.A SG TRP 163.A O no hydrogen 3.379 N/A GLU 168.A N PRO 164.A O no hydrogen 2.913 N/A PHE 169.A N ALA 165.A O no hydrogen 3.171 N/A PHE 170.A N VAL 166.A O no hydrogen 3.077 N/A VAL 172.A N CYS 167.A O no hydrogen 2.888 N/A SER 176.A OG GLU 323.A OE2 no hydrogen 3.334 N/A ARG 178.A NE GLU 381.A OE2 no hydrogen 2.967 N/A ARG 178.A NH1 ASP 377.A OD2 no hydrogen 2.631 N/A ARG 178.A NH2 GLU 381.A OE2 no hydrogen 3.018 N/A GLN 179.A N GLU 381.A OE1 no hydrogen 2.681 N/A GLN 179.A NE2 ASN 285.A OD1 no hydrogen 2.972 N/A TYR 180.A N GLU 381.A OE2 no hydrogen 3.395 N/A GLU 181.A N ASN 284.A O no hydrogen 2.817 N/A VAL 183.A N SER 282.A O no hydrogen 2.986 N/A HIS 185.A N ILE 280.A O no hydrogen 2.992 N/A HIS 185.A NE2 SER 282.A OG no hydrogen 2.692 N/A LYS 192.A N ASP 189.A O no hydrogen 3.139 N/A LYS 192.A NZ ASP 189.A OD2 no hydrogen 3.357 N/A VAL 193.A N VAL 190.A O no hydrogen 2.946 N/A TYR 194.A N PRO 299.A O no hydrogen 2.819 N/A TYR 194.A OH GLY 199.A O no hydrogen 3.249 N/A THR 195.A N GLU 197.A OE1 no hydrogen 2.663 N/A THR 195.A OG1 GLU 197.A OE1 no hydrogen 3.489 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.871 N/A LYS 202.A N GLU 197.A OE2 no hydrogen 2.771 N/A LYS 202.A NZ ALA 191.A O no hydrogen 2.891 N/A SER 203.A N ARG 200.A O no hydrogen 2.987 N/A SER 203.A OG ARG 200.A O no hydrogen 2.575 N/A GLU 205.A N LYS 202.A O no hydrogen 3.142 N/A ASN 206.A N LYS 202.A O no hydrogen 2.818 N/A GLN 207.A NE2 SER 203.A O no hydrogen 2.859 N/A GLN 207.A NE2 TYR 204.A O no hydrogen 3.666 N/A GLN 207.A NE2 PRO 216.A O no hydrogen 3.282 N/A ASP 212.A N ASN 215.A O no hydrogen 2.857 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 3.233 N/A ASN 215.A N ASP 212.A OD1 no hydrogen 2.920 N/A ASN 215.A ND2 LYS 208.A O no hydrogen 3.073 N/A ASN 215.A ND2 PRO 210.A O no hydrogen 3.057 N/A PHE 217.A N MET 442.A O no hydrogen 2.762 N/A LEU 218.A N GLN 207.A OE1 no hydrogen 2.858 N/A ALA 219.A N PHE 217.A O no hydrogen 3.102 N/A ALA 219.A N VAL 440.A O no hydrogen 3.038 N/A VAL 221.A N ALA 438.A O no hydrogen 2.860 N/A THR 222.A N GLU 239.A O no hydrogen 2.746 N/A THR 222.A OG1 GLU 239.A O no hydrogen 3.508 N/A ASN 224.A ND2 ARG 430.A O no hydrogen 3.251 N/A ASN 224.A ND2 LYS 432.A O no hydrogen 2.840 N/A ARG 225.A N HIS 237.A O no hydrogen 2.965 N/A ARG 225.A NH2 GLU 509.A OE2 no hydrogen 2.781 N/A LYS 226.A NZ GLY 230.A O no hydrogen 2.913 N/A LEU 227.A N LEU 235.A O no hydrogen 2.716 N/A ASN 228.A ND2 ARG 233.A O no hydrogen 2.563 N/A GLY 230.A N GLU 502.A O no hydrogen 2.926 N/A GLU 232.A N GLU 502.A OE1 no hydrogen 2.924 N/A LEU 235.A N ASN 228.A OD1 no hydrogen 2.886 N/A MET 236.A N ALA 408.A O no hydrogen 2.824 N/A HIS 237.A N ARG 225.A O no hydrogen 2.848 N/A HIS 237.A ND1 TYR 506.A OH no hydrogen 2.611 N/A HIS 237.A NE2 GLU 239.A OE1 no hydrogen 2.916 N/A LEU 238.A N ILE 406.A O no hydrogen 2.909 N/A GLU 239.A N ALA 223.A O no hydrogen 2.829 N/A LEU 240.A N VAL 404.A O no hydrogen 2.941 N/A ASP 241.A N ALA 220.A O no hydrogen 2.914 N/A ILE 242.A N ASN 402.A O no hydrogen 2.922 N/A SER 243.A N ASP 241.A OD1 no hydrogen 2.655 N/A SER 243.A OG ASP 241.A OD2 no hydrogen 3.414 N/A SER 245.A OG ILE 242.A O no hydrogen 2.526 N/A ILE 247.A N SER 245.A OG no hydrogen 3.174 N/A TYR 249.A OH SER 395.A OG no hydrogen 2.874 N/A TYR 249.A OH HIS 400.A O no hydrogen 2.931 N/A TYR 249.A OH SER 403.A O no hydrogen 2.794 N/A GLU 250.A N ASP 253.A OD2 no hydrogen 2.874 N/A SER 251.A OG SER 395.A O no hydrogen 3.310 N/A SER 251.A OG GLU 477.A OE1 no hydrogen 3.300 N/A ASP 253.A N GLU 250.A O no hydrogen 2.993 N/A HIS 254.A N ARG 445.A O no hydrogen 3.189 N/A HIS 254.A NE2 ASP 606.A OD1 no hydrogen 2.920 N/A VAL 255.A N TYR 391.A O no hydrogen 2.844 N/A ALA 256.A N PHE 443.A O no hydrogen 2.749 N/A VAL 257.A N ARG 389.A O no hydrogen 3.200 N/A TYR 258.A N PRO 441.A O no hydrogen 3.189 N/A TYR 258.A OH ALA 213.A O no hydrogen 2.629 N/A ASN 261.A N THR 307.A O no hydrogen 2.857 N/A ASN 261.A ND2 LEU 306.A O no hydrogen 2.717 N/A ASN 261.A ND2 THR 307.A O no hydrogen 3.493 N/A ASN 261.A ND2 LEU 310.A O no hydrogen 2.861 N/A LEU 265.A N ASP 262.A OD1 no hydrogen 2.799 N/A VAL 266.A N ASP 262.A O no hydrogen 3.088 N/A ASN 267.A N SER 263.A O no hydrogen 2.902 N/A GLN 268.A N ALA 264.A O no hydrogen 3.110 N/A ILE 269.A N LEU 265.A O no hydrogen 3.084 N/A GLY 270.A N VAL 266.A O no hydrogen 3.171 N/A GLU 271.A N ASN 267.A O no hydrogen 2.802 N/A ILE 272.A N GLN 268.A O no hydrogen 2.761 N/A LEU 273.A N ILE 269.A O no hydrogen 3.275 N/A GLY 274.A N GLU 271.A O no hydrogen 3.309 N/A ALA 275.A N GLY 270.A O no hydrogen 3.039 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 2.679 N/A MET 281.A N THR 300.A O no hydrogen 2.781 N/A SER 282.A N VAL 183.A O no hydrogen 3.189 N/A SER 282.A OG HIS 185.A NE2 no hydrogen 2.692 N/A ASN 284.A N GLU 181.A O no hydrogen 2.965 N/A ASN 285.A N LYS 293.A O no hydrogen 2.956 N/A ASN 285.A ND2 LYS 292.A O no hydrogen 2.712 N/A LEU 286.A N GLN 179.A O no hydrogen 2.940 N/A ASP 287.A N ASN 285.A OD1 no hydrogen 2.935 N/A GLU 289.A N ASP 287.A OD1 no hydrogen 2.820 N/A SER 290.A N ASP 287.A OD1 no hydrogen 2.829 N/A LYS 292.A N SER 290.A OG no hydrogen 3.217 N/A LYS 293.A NZ GLU 288.A O no hydrogen 3.331 N/A HIS 294.A ND1 LEU 283.A O no hydrogen 2.880 N/A CYS 298.A SG PHE 296.A O no hydrogen 3.307 N/A THR 300.A N MET 281.A O no hydrogen 2.950 N/A THR 300.A OG1 TYR 194.A O no hydrogen 2.920 N/A THR 301.A OG1 THR 304.A OG1 no hydrogen 3.098 N/A ARG 303.A N LEU 277.A O no hydrogen 2.850 N/A ARG 303.A NE ASP 278.A OD1 no hydrogen 3.042 N/A ARG 303.A NH1 ASN 267.A OD1 no hydrogen 2.874 N/A ARG 303.A NH2 ASP 278.A OD2 no hydrogen 3.113 N/A THR 304.A N THR 301.A OG1 no hydrogen 3.001 N/A THR 304.A OG1 THR 301.A OG1 no hydrogen 3.098 N/A ALA 305.A N THR 301.A O no hydrogen 3.026 N/A LEU 306.A N TYR 302.A O no hydrogen 2.830 N/A THR 307.A N ARG 303.A O no hydrogen 2.982 N/A THR 307.A OG1 ARG 303.A O no hydrogen 2.525 N/A TYR 308.A N THR 304.A O no hydrogen 2.785 N/A TYR 309.A N ALA 305.A O no hydrogen 2.874 N/A TYR 309.A OH GLU 197.A O no hydrogen 2.538 N/A LEU 310.A N ALA 305.A O no hydrogen 2.850 N/A ASP 311.A N PRO 384.A O no hydrogen 2.927 N/A THR 313.A N ASP 311.A OD1 no hydrogen 3.383 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 2.921 N/A THR 318.A N GLU 152.A OE2 no hydrogen 2.755 N/A THR 318.A OG1 GLU 152.A OE2 no hydrogen 2.428 N/A VAL 320.A N ARG 317.A O no hydrogen 3.110 N/A LEU 321.A N ARG 317.A O no hydrogen 3.401 N/A TYR 322.A N THR 318.A O no hydrogen 3.038 N/A GLU 323.A N ASN 319.A O no hydrogen 3.015 N/A LEU 324.A N VAL 320.A O no hydrogen 3.147 N/A ALA 325.A N LEU 321.A O no hydrogen 3.106 N/A GLN 326.A NE2 SER 176.A OG no hydrogen 3.129 N/A GLN 326.A NE2 GLU 323.A O no hydrogen 2.899 N/A TYR 327.A N LEU 324.A O no hydrogen 2.738 N/A TYR 327.A OH HIS 378.A ND1 no hydrogen 2.536 N/A ALA 328.A N ALA 325.A O no hydrogen 3.263 N/A SER 329.A N SER 371.A O no hydrogen 3.120 N/A GLU 330.A N SER 371.A OG no hydrogen 3.184 N/A SER 332.A OG GLU 330.A OE2 no hydrogen 3.545 N/A GLU 333.A N GLU 330.A O no hydrogen 2.933 N/A GLN 334.A N GLU 330.A O no hydrogen 3.024 N/A GLU 335.A N PRO 331.A O no hydrogen 3.030 N/A HIS 336.A N SER 332.A O no hydrogen 3.299 N/A LEU 337.A N GLU 333.A O no hydrogen 3.151 N/A HIS 338.A N GLN 334.A O no hydrogen 3.040 N/A LYS 339.A N GLU 335.A O no hydrogen 2.826 N/A LYS 339.A NZ GLU 335.A OE2 no hydrogen 3.369 N/A MET 340.A N LEU 337.A O no hydrogen 3.258 N/A SER 342.A N LYS 339.A O no hydrogen 2.887 N/A SER 342.A OG SER 344.A O no hydrogen 2.877 N/A SER 343.A OG GLU 160.A OE2 no hydrogen 3.297 N/A LYS 348.A NZ SER 343.A O no hydrogen 3.142 N/A GLU 349.A N GLY 345.A O no hydrogen 3.234 N/A LEU 350.A N GLU 346.A O no hydrogen 2.932 N/A TYR 351.A N GLY 347.A O no hydrogen 3.076 N/A TYR 351.A OH PRO 316.A O no hydrogen 2.996 N/A LEU 352.A N LYS 348.A O no hydrogen 2.924 N/A SER 353.A N GLU 349.A O no hydrogen 3.062 N/A SER 353.A OG GLU 349.A O no hydrogen 3.129 N/A TRP 354.A N LEU 350.A O no hydrogen 2.803 N/A VAL 355.A N TYR 351.A O no hydrogen 3.275 N/A VAL 356.A N TYR 351.A O no hydrogen 3.094 N/A GLU 357.A N LEU 352.A O no hydrogen 2.886 N/A ARG 359.A N VAL 356.A O no hydrogen 2.973 N/A ARG 359.A NE TYR 413.A OH no hydrogen 3.295 N/A ARG 359.A NH1 ASN 314.A OD1 no hydrogen 3.189 N/A ARG 360.A N VAL 355.A O no hydrogen 2.945 N/A ARG 360.A NE ASP 368.A OD2 no hydrogen 2.516 N/A ARG 360.A NH1 TRP 354.A O no hydrogen 2.743 N/A ARG 360.A NH2 ASP 368.A OD2 no hydrogen 2.978 N/A ALA 364.A N HIS 361.A ND1 no hydrogen 3.329 N/A ILE 365.A N HIS 361.A O no hydrogen 3.144 N/A LEU 366.A N ILE 362.A O no hydrogen 2.998 N/A GLN 367.A N LEU 363.A O no hydrogen 2.952 N/A ASP 368.A N ALA 364.A O no hydrogen 2.763 N/A TYR 369.A N ILE 365.A O no hydrogen 2.963 N/A SER 371.A N GLU 333.A OE2 no hydrogen 3.180 N/A SER 371.A OG GLU 333.A OE2 no hydrogen 2.376 N/A LEU 372.A N TYR 369.A O no hydrogen 2.951 N/A ARG 373.A N TYR 327.A O no hydrogen 3.119 N/A ARG 373.A NH1 LEU 366.A O no hydrogen 2.821 N/A ARG 373.A NH1 LEU 372.A O no hydrogen 2.696 N/A ARG 373.A NH2 LEU 366.A O no hydrogen 3.516 N/A HIS 378.A N PRO 375.A O no hydrogen 3.209 N/A HIS 378.A ND1 TYR 327.A OH no hydrogen 2.536 N/A LEU 379.A N PRO 375.A O no hydrogen 3.233 N/A CYS 380.A N ILE 376.A O no hydrogen 3.093 N/A CYS 380.A SG ILE 376.A O no hydrogen 3.450 N/A GLU 381.A N HIS 378.A O no hydrogen 2.987 N/A LEU 382.A N HIS 378.A O no hydrogen 3.266 N/A LEU 382.A N LEU 379.A O no hydrogen 3.105 N/A LEU 383.A N LEU 379.A O no hydrogen 3.078 N/A ARG 385.A NE TYR 309.A O no hydrogen 2.745 N/A ARG 385.A NH1 PRO 295.A O no hydrogen 3.489 N/A LEU 386.A N TYR 309.A O no hydrogen 2.965 N/A GLN 387.A NE2 ARG 385.A O no hydrogen 3.272 N/A ARG 389.A N VAL 257.A O no hydrogen 3.096 N/A ARG 389.A NH2 GLN 387.A O no hydrogen 2.707 N/A TYR 391.A N VAL 255.A O no hydrogen 2.917 N/A SER 392.A OG ASP 606.A OD2 no hydrogen 2.939 N/A ILE 393.A N ASP 253.A O no hydrogen 3.010 N/A ALA 394.A N HIS 405.A O no hydrogen 2.672 N/A SER 395.A OG TYR 249.A OH no hydrogen 2.874 N/A SER 395.A OG SER 403.A O no hydrogen 3.507 N/A SER 396.A N GLN 476.A OE1 no hydrogen 3.186 N/A SER 396.A OG GLU 477.A OE1 no hydrogen 2.672 N/A SER 397.A OG TYR 249.A O no hydrogen 2.526 N/A SER 397.A OG GLU 250.A OE2 no hydrogen 3.561 N/A LYS 398.A N SER 396.A OG no hydrogen 2.984 N/A LYS 398.A NZ GLU 250.A OE1 no hydrogen 3.477 N/A VAL 399.A N SER 396.A O no hydrogen 3.180 N/A HIS 400.A N SER 396.A O no hydrogen 2.676 N/A SER 403.A N HIS 400.A O no hydrogen 3.132 N/A SER 403.A OG LEU 240.A O no hydrogen 3.084 N/A VAL 404.A N LEU 240.A O no hydrogen 2.929 N/A HIS 405.A N SER 395.A OG no hydrogen 3.169 N/A ILE 406.A N LEU 238.A O no hydrogen 2.822 N/A ALA 408.A N MET 236.A O no hydrogen 3.075 N/A ALA 410.A N HIS 234.A O no hydrogen 2.930 N/A VAL 411.A N THR 426.A OG1 no hydrogen 2.997 N/A TYR 413.A N ASN 421.A O no hydrogen 3.168 N/A ALA 415.A N ARG 419.A O no hydrogen 3.026 N/A SER 417.A N ALA 358.A O no hydrogen 3.312 N/A SER 417.A OG ALA 358.A O no hydrogen 3.333 N/A GLY 418.A N ALA 415.A O no hydrogen 2.766 N/A ARG 419.A NH1 GLN 367.A OE1 no hydrogen 2.510 N/A ARG 419.A NH2 ASP 368.A OD2 no hydrogen 3.244 N/A ARG 419.A NH2 SER 417.A O no hydrogen 3.205 N/A ASN 421.A N TYR 413.A O no hydrogen 2.884 N/A LYS 422.A NZ SER 427.A OG no hydrogen 3.096 N/A GLY 423.A N VAL 411.A O no hydrogen 2.803 N/A SER 427.A N GLY 423.A O no hydrogen 3.109 N/A SER 427.A OG GLY 423.A O no hydrogen 2.788 N/A TRP 428.A N VAL 424.A O no hydrogen 3.275 N/A LEU 429.A N ALA 425.A O no hydrogen 2.701 N/A ARG 430.A N THR 426.A O no hydrogen 2.799 N/A ALA 431.A N SER 427.A O no hydrogen 3.182 N/A LYS 432.A N LEU 429.A O no hydrogen 3.043 N/A LYS 432.A NZ LEU 439.A O no hydrogen 2.934 N/A VAL 440.A N ALA 219.A O no hydrogen 2.716 N/A MET 442.A N PHE 217.A O no hydrogen 2.694 N/A PHE 443.A N ALA 256.A O no hydrogen 3.081 N/A ARG 445.A N HIS 254.A O no hydrogen 2.829 N/A ARG 445.A NH2 ASP 86.A OD2 no hydrogen 3.067 N/A SER 447.A N ASP 253.A OD1 no hydrogen 2.847 N/A SER 447.A OG GLY 252.A O no hydrogen 2.551 N/A PHE 449.A N SER 447.A OG no hydrogen 3.042 N/A ARG 450.A NH1 ASP 253.A OD1 no hydrogen 2.841 N/A ARG 450.A NH1 PHE 449.A O no hydrogen 3.431 N/A ARG 450.A NH2 ASP 253.A OD1 no hydrogen 2.570 N/A SER 455.A OG GLU 487.A O no hydrogen 2.502 N/A THR 457.A N LYS 454.A O no hydrogen 3.148 N/A VAL 459.A N GLU 490.A O no hydrogen 2.947 N/A ILE 460.A N HIS 557.A O no hydrogen 2.975 N/A MET 461.A N LEU 492.A O no hydrogen 2.860 N/A VAL 462.A N TYR 559.A O no hydrogen 2.722 N/A GLY 463.A N TYR 494.A O no hydrogen 2.989 N/A GLY 465.A N GLY 496.A O no hydrogen 2.802 N/A GLY 467.A N PRO 464.A O no hydrogen 2.740 N/A ILE 468.A N GLY 465.A O no hydrogen 3.270 N/A ALA 469.A N THR 466.A O no hydrogen 3.181 N/A MET 472.A N ILE 468.A O no hydrogen 3.198 N/A MET 472.A N ALA 469.A O no hydrogen 3.145 N/A PHE 474.A N PRO 470.A O no hydrogen 3.070 N/A ILE 475.A N PHE 471.A O no hydrogen 2.911 N/A GLN 476.A N MET 472.A O no hydrogen 3.212 N/A GLN 476.A NE2 ALA 394.A O no hydrogen 3.617 N/A GLU 477.A N GLY 473.A O no hydrogen 3.010 N/A ARG 478.A N PHE 474.A O no hydrogen 2.687 N/A ARG 478.A NE THR 491.A OG1 no hydrogen 3.121 N/A ARG 478.A NH1 THR 457.A O no hydrogen 3.194 N/A ARG 478.A NH2 THR 457.A O no hydrogen 2.940 N/A ARG 478.A NH2 GLU 490.A O no hydrogen 3.045 N/A ARG 478.A NH2 THR 491.A OG1 no hydrogen 3.166 N/A ALA 479.A N ILE 475.A O no hydrogen 2.692 N/A TRP 480.A N GLN 476.A O no hydrogen 2.753 N/A LEU 481.A N GLU 477.A O no hydrogen 2.793 N/A ARG 482.A N ARG 478.A O no hydrogen 3.089 N/A ARG 482.A NH2 ASP 516.A O no hydrogen 2.874 N/A GLU 483.A N ALA 479.A O no hydrogen 3.310 N/A GLU 483.A N TRP 480.A O no hydrogen 3.227 N/A GLN 484.A N LEU 481.A O no hydrogen 3.060 N/A GLY 489.A N SER 455.A O no hydrogen 3.260 N/A THR 491.A N THR 520.A OG1 no hydrogen 2.667 N/A THR 491.A OG1 GLY 489.A O no hydrogen 3.548 N/A LEU 492.A N VAL 459.A O no hydrogen 2.812 N/A LEU 493.A N GLN 521.A O no hydrogen 3.071 N/A TYR 494.A N MET 461.A O no hydrogen 2.699 N/A TYR 494.A OH ASP 543.A OD2 no hydrogen 2.682 N/A TYR 495.A N ASN 523.A O no hydrogen 2.889 N/A TYR 495.A OH ASP 503.A O no hydrogen 3.241 N/A CYS 497.A N ALA 525.A O no hydrogen 2.987 N/A ARG 498.A N ASP 503.A OD1 no hydrogen 3.037 N/A SER 500.A N GLU 529.A OE1 no hydrogen 3.033 N/A GLU 502.A N ARG 499.A O no hydrogen 2.920 N/A ASP 503.A N ARG 499.A O no hydrogen 3.260 N/A LEU 505.A N TYR 495.A OH no hydrogen 2.749 N/A TYR 506.A OH HIS 237.A ND1 no hydrogen 2.611 N/A ARG 507.A NE GLU 508.A OE2 no hydrogen 3.294 N/A ARG 507.A NH2 GLU 508.A OE2 no hydrogen 3.482 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.498 N/A LEU 510.A N TYR 506.A O no hydrogen 2.908 N/A ALA 511.A N ARG 507.A O no hydrogen 3.241 N/A ARG 512.A N GLU 508.A O no hydrogen 3.121 N/A PHE 513.A N GLU 509.A O no hydrogen 3.134 N/A HIS 514.A N LEU 510.A O no hydrogen 3.013 N/A LYS 515.A N ALA 511.A O no hydrogen 2.963 N/A ASP 516.A N ARG 512.A O no hydrogen 2.928 N/A GLY 517.A N HIS 514.A O no hydrogen 3.086 N/A LEU 519.A N PHE 513.A O no hydrogen 3.029 N/A THR 520.A OG1 THR 491.A O no hydrogen 3.341 N/A ASN 523.A N LEU 493.A O no hydrogen 2.898 N/A ASN 523.A ND2 GLN 521.A OE1 no hydrogen 2.901 N/A ALA 525.A N TYR 495.A O no hydrogen 2.791 N/A SER 527.A N CYS 497.A O no hydrogen 2.822 N/A SER 527.A OG CYS 497.A O no hydrogen 3.380 N/A ARG 528.A N ARG 498.A O no hydrogen 2.861 N/A GLN 530.A NE2 PHE 526.A O no hydrogen 2.832 N/A GLN 530.A NE2 HIS 532.A O no hydrogen 2.872 N/A TYR 535.A N HIS 538.A ND1 no hydrogen 2.953 N/A GLN 537.A N GLN 537.A OE1 no hydrogen 2.656 N/A HIS 538.A N TYR 535.A O no hydrogen 2.952 N/A LEU 539.A N VAL 536.A O no hydrogen 2.885 N/A LEU 540.A N VAL 536.A O no hydrogen 3.165 N/A LYS 541.A N GLN 537.A O no hydrogen 3.227 N/A ARG 542.A N HIS 538.A O no hydrogen 3.259 N/A ARG 542.A NE ASP 543.A OD1 no hydrogen 2.845 N/A ARG 542.A NH2 ASN 523.A OD1 no hydrogen 3.160 N/A ARG 542.A NH2 ASP 543.A OD1 no hydrogen 3.313 N/A ARG 542.A NH2 ASP 543.A OD2 no hydrogen 3.017 N/A ASP 543.A N LEU 539.A O no hydrogen 3.008 N/A ARG 544.A N LYS 541.A O no hydrogen 3.237 N/A ARG 544.A NH1 LYS 541.A O no hydrogen 2.629 N/A HIS 546.A NE2 GLU 490.A OE1 no hydrogen 2.671 N/A LEU 547.A N ASP 543.A O no hydrogen 2.962 N/A TRP 548.A N ARG 544.A O no hydrogen 2.809 N/A LYS 549.A N GLU 545.A O no hydrogen 3.286 N/A LEU 550.A N HIS 546.A O no hydrogen 3.228 N/A ILE 551.A N LEU 547.A O no hydrogen 2.920 N/A HIS 552.A N TRP 548.A O no hydrogen 2.761 N/A HIS 552.A ND1 TYR 593.A OH no hydrogen 3.211 N/A GLU 553.A N LYS 549.A O no hydrogen 2.895 N/A GLY 554.A N LYS 549.A O no hydrogen 2.958 N/A ALA 556.A N LEU 550.A O no hydrogen 2.824 N/A HIS 557.A N PRO 458.A O no hydrogen 2.829 N/A ILE 558.A N ARG 602.A O no hydrogen 2.845 N/A TYR 559.A N ILE 460.A O no hydrogen 2.841 N/A TYR 559.A OH ARG 450.A O no hydrogen 2.584 N/A VAL 560.A N SER 604.A O no hydrogen 3.077 N/A CYS 561.A N VAL 462.A O no hydrogen 2.954 N/A CYS 561.A SG GLY 467.A O no hydrogen 3.187 N/A CYS 561.A SG ASP 606.A O no hydrogen 3.423 N/A CYS 561.A SG ASP 606.A OD2 no hydrogen 3.623 N/A GLY 562.A N ASP 606.A O no hydrogen 3.393 N/A ALA 564.A N TRP 608.A O no hydrogen 2.490 N/A ASN 566.A ND2 ASP 570.A OD2 no hydrogen 3.397 N/A LYS 569.A N ARG 565.A O no hydrogen 2.679 N/A ASP 570.A N ASN 566.A O no hydrogen 2.602 N/A GLN 572.A N ALA 568.A O no hydrogen 3.030 N/A GLN 572.A N LYS 569.A O no hydrogen 3.054 N/A GLN 572.A NE2 TYR 576.A OH no hydrogen 2.720 N/A ASN 573.A N LYS 569.A O no hydrogen 2.772 N/A THR 574.A N ASP 570.A O no hydrogen 3.060 N/A THR 574.A OG1 ASP 570.A O no hydrogen 3.094 N/A PHE 575.A N VAL 571.A O no hydrogen 3.156 N/A TYR 576.A N GLN 572.A O no hydrogen 3.104 N/A ASP 577.A N ASN 573.A O no hydrogen 3.079 N/A ILE 578.A N THR 574.A O no hydrogen 2.901 N/A VAL 579.A N PHE 575.A O no hydrogen 2.999 N/A ALA 580.A N TYR 576.A O no hydrogen 2.713 N/A GLU 581.A N ASP 577.A O no hydrogen 3.107 N/A GLU 581.A N ILE 578.A O no hydrogen 3.249 N/A PHE 582.A N ILE 578.A O no hydrogen 3.000 N/A GLY 583.A N VAL 579.A O no hydrogen 2.820 N/A MET 585.A N ALA 580.A O no hydrogen 3.102 N/A ALA 590.A N GLU 586.A O no hydrogen 2.967 N/A VAL 591.A N HIS 587.A O no hydrogen 2.867 N/A ASP 592.A N THR 588.A O no hydrogen 3.224 N/A TYR 593.A N GLN 589.A O no hydrogen 2.838 N/A TYR 593.A OH HIS 552.A ND1 no hydrogen 3.211 N/A VAL 594.A N ALA 590.A O no hydrogen 3.159 N/A LYS 595.A N VAL 591.A O no hydrogen 2.776 N/A LYS 596.A N ASP 592.A O no hydrogen 2.852 N/A LEU 597.A N TYR 593.A O no hydrogen 3.239 N/A MET 598.A N VAL 594.A O no hydrogen 3.150 N/A THR 599.A N LYS 595.A O no hydrogen 3.326 N/A THR 599.A OG1 LYS 596.A O no hydrogen 2.764 N/A LYS 600.A N LYS 596.A O no hydrogen 2.767 N/A ARG 602.A N LEU 597.A O no hydrogen 2.720 N/A ARG 602.A NE GLY 555.A O no hydrogen 3.253 N/A ARG 602.A NE ALA 556.A O no hydrogen 3.109 N/A ARG 602.A NH2 ILE 551.A O no hydrogen 2.852 N/A ARG 602.A NH2 ALA 556.A O no hydrogen 2.850 N/A SER 604.A N ILE 558.A O no hydrogen 2.903 N/A ASP 606.A N VAL 560.A O no hydrogen 2.950 N/A TRP 608.A N GLY 562.A O no hydrogen 3.206 N/A