Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5alq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLU 166.A O no hydrogen 3.006 N/A ALA 4.A N GLU 166.A O no hydrogen 3.030 N/A ALA 5.A N THR 105.A O no hydrogen 2.967 N/A VAL 6.A N VAL 168.A O no hydrogen 2.771 N/A PHE 7.A N ALA 107.A O no hydrogen 2.922 N/A ASP 8.A N LEU 170.A O no hydrogen 3.201 N/A GLY 11.A N ALA 14.A O no hydrogen 2.992 N/A VAL 12.A N LEU 9.A O no hydrogen 3.393 N/A LEU 13.A N ASP 8.A O no hydrogen 3.194 N/A ALA 14.A N LEU 9.A O no hydrogen 2.821 N/A LEU 15.A N LYS 87.A O no hydrogen 2.819 N/A VAL 18.A N ASP 10.A OD1 no hydrogen 2.751 N/A VAL 18.A N ASP 10.A OD2 no hydrogen 3.034 N/A GLY 20.A N ALA 17.A O no hydrogen 3.222 N/A LEU 22.A N THR 25.A OG1 no hydrogen 2.692 N/A GLY 23.A N VAL 21.A O no hydrogen 2.889 N/A ARG 24.A N GLY 20.A O no hydrogen 3.240 N/A GLU 26.A N LEU 22.A O no hydrogen 2.490 N/A GLU 27.A N GLY 23.A O no hydrogen 3.244 N/A ALA 28.A N ARG 24.A O no hydrogen 2.887 N/A LEU 29.A N THR 25.A O no hydrogen 2.758 N/A ALA 30.A N GLU 27.A O no hydrogen 3.251 N/A LEU 31.A N GLU 26.A O no hydrogen 2.828 N/A GLY 34.A N GLU 26.A OE1 no hydrogen 2.554 N/A LEU 35.A N PRO 32.A O no hydrogen 3.294 N/A ALA 39.A N LEU 35.A O no hydrogen 3.075 N/A GLN 41.A N ASP 38.A O no hydrogen 3.128 N/A GLY 44.A N GLN 41.A O no hydrogen 3.131 N/A GLU 46.A N GLY 43.A O no hydrogen 3.149 N/A GLY 47.A N GLY 44.A O no hydrogen 3.136 N/A THR 49.A OG1 PHE 40.A O no hydrogen 2.512 N/A THR 50.A OG1 GLY 44.A O no hydrogen 2.625 N/A ARG 51.A N GLY 47.A O no hydrogen 3.299 N/A ARG 51.A NE GLU 56.A OE1 no hydrogen 3.234 N/A LEU 52.A N ALA 48.A O no hydrogen 3.028 N/A MET 53.A N THR 49.A O no hydrogen 2.860 N/A LYS 54.A N THR 50.A O no hydrogen 2.930 N/A LYS 54.A NZ GLU 149.A OE1 no hydrogen 3.233 N/A LYS 54.A NZ GLU 149.A OE2 no hydrogen 3.111 N/A GLY 55.A N LEU 52.A O no hydrogen 3.094 N/A GLU 56.A N ARG 51.A O no hydrogen 2.859 N/A THR 58.A N GLN 61.A OE1 no hydrogen 2.831 N/A THR 58.A OG1 GLN 61.A OE1 no hydrogen 3.390 N/A THR 58.A OG1 ASP 116.A OD1 no hydrogen 3.374 N/A THR 58.A OG1 ASP 116.A OD2 no hydrogen 2.771 N/A LEU 59.A N LEU 114.A O no hydrogen 2.978 N/A SER 60.A N ASP 116.A OD1 no hydrogen 2.896 N/A SER 60.A OG ASP 116.A OD1 no hydrogen 2.958 N/A TRP 62.A N THR 58.A O no hydrogen 2.972 N/A TRP 62.A NE1 THR 49.A OG1 no hydrogen 2.943 N/A ILE 63.A N LEU 59.A O no hydrogen 2.806 N/A LEU 65.A N ILE 63.A O no hydrogen 2.458 N/A LYS 76.A NZ ASP 80.A OD1 no hydrogen 3.167 N/A LYS 76.A NZ GLU 119.A OE1 no hydrogen 2.504 N/A LYS 76.A NZ GLU 119.A OE2 no hydrogen 3.537 N/A GLU 77.A N SER 74.A OG no hydrogen 3.263 N/A ILE 78.A N SER 74.A O no hydrogen 3.111 N/A PHE 79.A N ILE 75.A O no hydrogen 2.855 N/A ASP 80.A N LYS 76.A O no hydrogen 2.840 N/A LYS 81.A N GLU 77.A O no hydrogen 3.135 N/A ALA 82.A N ILE 78.A O no hydrogen 3.061 N/A ILE 83.A N PHE 79.A O no hydrogen 3.022 N/A SER 84.A N ASP 80.A O no hydrogen 3.048 N/A SER 84.A OG ASP 80.A O no hydrogen 2.844 N/A SER 84.A OG LYS 81.A O no hydrogen 2.883 N/A ALA 85.A N LYS 81.A O no hydrogen 2.972 N/A ARG 86.A N ALA 82.A O no hydrogen 3.304 N/A ARG 86.A NH1 ASP 10.A OD1 no hydrogen 3.516 N/A LYS 87.A N LEU 15.A O no hydrogen 2.812 N/A LYS 87.A NZ SER 84.A O no hydrogen 3.379 N/A ASN 89.A N LEU 13.A O no hydrogen 2.756 N/A ARG 90.A NH1 GLU 129.A OE2 no hydrogen 2.869 N/A ARG 90.A NH2 GLU 129.A OE1 no hydrogen 3.300 N/A ARG 90.A NH2 GLU 129.A OE2 no hydrogen 2.891 N/A LEU 93.A N ASN 89.A O no hydrogen 3.132 N/A GLN 94.A N ARG 90.A O no hydrogen 2.846 N/A ALA 95.A N PRO 91.A O no hydrogen 3.072 N/A ALA 96.A N MET 92.A O no hydrogen 3.056 N/A LEU 97.A N LEU 93.A O no hydrogen 2.779 N/A MET 98.A N GLN 94.A O no hydrogen 2.964 N/A LEU 99.A N ALA 95.A O no hydrogen 2.989 N/A ARG 100.A N ALA 96.A O no hydrogen 3.061 N/A ARG 100.A NE ASP 135.A OD2 no hydrogen 3.469 N/A ARG 100.A NH2 ASP 135.A OD1 no hydrogen 2.778 N/A LYS 101.A N LEU 97.A O no hydrogen 3.089 N/A LYS 102.A N MET 98.A O no hydrogen 2.996 N/A GLY 103.A N ARG 100.A O no hydrogen 3.161 N/A PHE 104.A N LEU 99.A O no hydrogen 2.949 N/A THR 105.A N ARG 3.A O no hydrogen 2.773 N/A THR 106.A N ASP 135.A OD2 no hydrogen 3.111 N/A ALA 107.A N ALA 5.A O no hydrogen 3.003 N/A ILE 108.A N PHE 136.A O no hydrogen 2.960 N/A LEU 109.A N PHE 7.A O no hydrogen 2.959 N/A THR 110.A N ILE 138.A O no hydrogen 2.991 N/A ASN 111.A ND2 LYS 147.A O no hydrogen 3.065 N/A THR 112.A N SER 140.A OG no hydrogen 2.780 N/A TRP 113.A N THR 112.A OG1 no hydrogen 2.809 N/A TRP 113.A NE1 ASP 115.A OD2 no hydrogen 3.170 N/A ARG 117.A N ASP 115.A OD1 no hydrogen 3.322 N/A ARG 117.A NE ASP 115.A OD1 no hydrogen 2.794 N/A ARG 117.A NE ASP 115.A OD2 no hydrogen 3.214 N/A ARG 117.A NH1 ASP 80.A OD1 no hydrogen 3.036 N/A ARG 117.A NH2 ASP 115.A OD2 no hydrogen 2.826 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.688 N/A ARG 120.A N ARG 117.A O no hydrogen 3.252 N/A ARG 120.A NH1 ARG 117.A O no hydrogen 2.772 N/A GLY 122.A N GLU 119.A O no hydrogen 3.435 N/A ALA 124.A N ARG 120.A O no hydrogen 3.078 N/A GLN 125.A N ASP 121.A O no hydrogen 2.808 N/A LEU 126.A N GLY 122.A O no hydrogen 3.249 N/A MET 127.A N LEU 123.A O no hydrogen 2.883 N/A CYS 128.A N ALA 124.A O no hydrogen 3.000 N/A GLU 129.A N GLN 125.A O no hydrogen 3.043 N/A LEU 130.A N LEU 126.A O no hydrogen 3.012 N/A LYS 131.A N MET 127.A O no hydrogen 2.797 N/A HIS 133.A N LEU 130.A O no hydrogen 3.101 N/A PHE 134.A N LYS 131.A O no hydrogen 3.313 N/A ASP 135.A N THR 106.A O no hydrogen 3.012 N/A PHE 136.A N THR 106.A O no hydrogen 3.315 N/A ILE 138.A N ILE 108.A O no hydrogen 2.683 N/A SER 140.A N THR 110.A O no hydrogen 2.941 N/A SER 140.A OG MET 53.A O no hydrogen 2.628 N/A GLN 142.A N GLU 139.A O no hydrogen 3.052 N/A VAL 143.A N GLU 139.A O no hydrogen 3.153 N/A GLY 144.A N SER 140.A O no hydrogen 2.916 N/A VAL 146.A N GLU 149.A OE1 no hydrogen 3.503 N/A LYS 147.A N ASN 111.A OD1 no hydrogen 2.880 N/A LYS 147.A NZ LEU 109.A O no hydrogen 3.304 N/A LYS 147.A NZ ASP 171.A OD2 no hydrogen 2.730 N/A GLN 151.A NE2 GLU 149.A OE1 no hydrogen 2.810 N/A TYR 153.A OH ASN 176.A O no hydrogen 2.640 N/A LYS 154.A N PRO 150.A O no hydrogen 3.436 N/A PHE 155.A N GLN 151.A O no hydrogen 2.957 N/A LEU 156.A N ILE 152.A O no hydrogen 2.827 N/A LEU 157.A N TYR 153.A O no hydrogen 2.994 N/A ASP 158.A N LYS 154.A O no hydrogen 3.115 N/A THR 159.A N PHE 155.A O no hydrogen 2.923 N/A THR 159.A OG1 PHE 155.A O no hydrogen 2.650 N/A LEU 160.A N LEU 156.A O no hydrogen 2.960 N/A LYS 161.A N LEU 157.A O no hydrogen 2.991 N/A LYS 161.A N ASP 158.A O no hydrogen 3.344 N/A LYS 161.A NZ ASP 158.A O no hydrogen 3.318 N/A SER 163.A N GLU 166.A OE1 no hydrogen 2.905 N/A SER 163.A OG GLU 166.A OE1 no hydrogen 2.844 N/A GLU 166.A N SER 163.A O no hydrogen 2.970 N/A VAL 167.A N PRO 164.A O no hydrogen 3.087 N/A VAL 168.A N ALA 4.A O no hydrogen 2.935 N/A PHE 169.A N VAL 186.A O no hydrogen 2.712 N/A LEU 170.A N VAL 6.A O no hydrogen 2.816 N/A ASP 171.A N ILE 188.A O no hydrogen 3.211 N/A ILE 173.A N ASP 171.A OD1 no hydrogen 2.897 N/A ASN 176.A N ILE 173.A O no hydrogen 3.201 N/A LEU 177.A N GLY 174.A O no hydrogen 3.130 N/A LYS 178.A N GLY 174.A O no hydrogen 3.109 N/A ALA 180.A N LEU 177.A O no hydrogen 3.083 N/A ARG 181.A N LEU 177.A O no hydrogen 3.160 N/A ARG 181.A NE THR 187.A OG1 no hydrogen 3.313 N/A ASP 182.A N LYS 178.A O no hydrogen 2.911 N/A LEU 183.A N PRO 179.A O no hydrogen 3.280 N/A LEU 183.A N ALA 180.A O no hydrogen 3.321 N/A GLY 184.A N ARG 181.A O no hydrogen 2.933 N/A MET 185.A N ALA 180.A O no hydrogen 3.010 N/A VAL 186.A N VAL 167.A O no hydrogen 2.910 N/A ILE 188.A N PHE 169.A O no hydrogen 2.954 N/A VAL 190.A N ASP 171.A O no hydrogen 2.913 N/A THR 193.A OG1 ASN 89.A OD1 no hydrogen 2.779 N/A THR 195.A N ASP 192.A OD2 no hydrogen 3.191 N/A THR 195.A OG1 ASP 192.A O no hydrogen 3.312 N/A THR 195.A OG1 ASP 192.A OD1 no hydrogen 2.630 N/A THR 195.A OG1 ASP 192.A OD2 no hydrogen 2.929 N/A ALA 196.A N ASP 192.A O no hydrogen 3.367 N/A LEU 197.A N THR 193.A O no hydrogen 2.875 N/A LYS 198.A N ASP 194.A O no hydrogen 3.055 N/A GLU 199.A N THR 195.A O no hydrogen 3.009 N/A LEU 200.A N ALA 196.A O no hydrogen 2.974 N/A GLU 201.A N LEU 197.A O no hydrogen 2.807 N/A LYS 202.A N LYS 198.A O no hydrogen 3.014 N/A VAL 203.A N GLU 199.A O no hydrogen 3.289 N/A THR 204.A N LEU 200.A O no hydrogen 3.121 N/A THR 204.A OG1 LEU 200.A O no hydrogen 2.671 N/A GLY 205.A N GLU 201.A O no hydrogen 2.927 N/A LEU 208.A N GLU 201.A OE2 no hydrogen 3.189 N/A LEU 209.A N GLU 201.A OE2 no hydrogen 3.218 N/A THR 217.A OG1 HIS 133.A NE2 no hydrogen 3.398 N/A CYS 219.A SG ARG 262.A O no hydrogen 3.400 N/A ASN 220.A ND2 ASP 223.A OD2 no hydrogen 3.028 N/A SER 222.A OG ASN 220.A OD1 no hydrogen 3.499 N/A ASP 223.A N ASN 220.A O no hydrogen 2.841 N/A MET 224.A N PRO 221.A O no hydrogen 3.298 N/A HIS 226.A ND1 HIS 238.A NE2 no hydrogen 2.669 N/A HIS 226.A NE2 PRO 221.A O no hydrogen 2.799 N/A GLY 227.A N PHE 239.A O no hydrogen 2.734 N/A TYR 228.A OH GLU 285.A OE1 no hydrogen 2.597 N/A VAL 229.A N LEU 237.A O no hydrogen 2.966 N/A VAL 231.A N VAL 235.A O no hydrogen 2.893 N/A LYS 232.A NZ GLU 294.A OE1 no hydrogen 3.306 N/A VAL 235.A N LYS 232.A O no hydrogen 2.886 N/A ARG 236.A N SER 287.A OG no hydrogen 2.878 N/A ARG 236.A NH1 GLU 285.A O no hydrogen 2.708 N/A LEU 237.A N VAL 229.A O no hydrogen 2.748 N/A HIS 238.A N SER 286.A OG no hydrogen 2.794 N/A HIS 238.A ND1 ASP 279.A OD2 no hydrogen 2.689 N/A HIS 238.A NE2 HIS 226.A ND1 no hydrogen 2.669 N/A PHE 239.A N GLY 227.A O no hydrogen 2.947 N/A VAL 240.A N ALA 277.A O no hydrogen 2.948 N/A GLU 241.A N SER 225.A O no hydrogen 2.991 N/A LEU 242.A N VAL 275.A O no hydrogen 3.065 N/A VAL 248.A N ARG 274.A O no hydrogen 2.748 N/A CYS 249.A N VAL 317.A O no hydrogen 2.691 N/A LEU 250.A N LEU 276.A O no hydrogen 2.912 N/A CYS 251.A N ILE 319.A O no hydrogen 2.763 N/A HIS 252.A ND1 GLY 253.A O no hydrogen 2.865 N/A PHE 254.A N ASP 322.A OD2 no hydrogen 2.983 N/A GLU 256.A N GLY 253.A O no hydrogen 3.002 N/A TRP 258.A N ASP 279.A OD1 no hydrogen 3.230 N/A TYR 259.A N SER 257.A OG no hydrogen 3.060 N/A SER 260.A N SER 257.A O no hydrogen 3.212 N/A SER 260.A OG GLU 256.A OE1 no hydrogen 2.709 N/A SER 260.A OG TYR 437.A OH no hydrogen 2.785 N/A TRP 261.A N TRP 258.A O no hydrogen 3.099 N/A ARG 262.A N TYR 259.A O no hydrogen 3.095 N/A ARG 262.A NE GLU 433.A OE2 no hydrogen 3.001 N/A ARG 262.A NH1 TYR 259.A O no hydrogen 2.817 N/A ARG 262.A NH1 TYR 437.A OH no hydrogen 3.214 N/A GLN 264.A N TRP 261.A O no hydrogen 2.786 N/A GLN 264.A NE2 GLN 514.A O no hydrogen 3.552 N/A GLN 264.A NE2 ASN 522.A OD1 no hydrogen 2.934 N/A ILE 265.A N TRP 261.A O no hydrogen 2.980 N/A LEU 268.A N GLN 264.A O no hydrogen 2.888 N/A ALA 269.A N ILE 265.A O no hydrogen 3.213 N/A GLN 270.A N PRO 266.A O no hydrogen 2.961 N/A ALA 271.A N ALA 267.A O no hydrogen 2.999 N/A GLY 272.A N ALA 269.A O no hydrogen 3.089 N/A TYR 273.A N LEU 268.A O no hydrogen 3.255 N/A TYR 273.A OH ASP 530.A OD1 no hydrogen 2.676 N/A ARG 274.A N PRO 246.A O no hydrogen 2.955 N/A ARG 274.A NE GLU 241.A OE2 no hydrogen 2.871 N/A ARG 274.A NH2 GLU 241.A OE2 no hydrogen 2.784 N/A VAL 275.A N LEU 242.A O no hydrogen 2.791 N/A LEU 276.A N VAL 248.A O no hydrogen 2.823 N/A ALA 277.A N VAL 240.A O no hydrogen 2.862 N/A MET 278.A N LEU 250.A O no hydrogen 3.057 N/A ASP 279.A N HIS 238.A O no hydrogen 2.919 N/A MET 280.A N HIS 252.A NE2 no hydrogen 2.874 N/A LYS 281.A NZ GLU 294.A O no hydrogen 2.745 N/A LYS 281.A NZ GLU 294.A OE1 no hydrogen 2.968 N/A LYS 281.A NZ GLU 303.A OE1 no hydrogen 3.322 N/A LYS 281.A NZ GLU 303.A OE2 no hydrogen 2.743 N/A GLY 282.A N SER 287.A O no hydrogen 3.000 N/A TYR 283.A N MET 280.A O no hydrogen 2.909 N/A GLU 285.A N ASP 279.A OD2 no hydrogen 3.019 N/A SER 286.A N TYR 283.A O no hydrogen 2.891 N/A SER 286.A OG ASP 279.A O no hydrogen 2.547 N/A SER 287.A N ARG 236.A O no hydrogen 2.768 N/A SER 287.A OG ARG 234.A O no hydrogen 3.469 N/A SER 287.A OG ARG 236.A O no hydrogen 3.487 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 2.838 N/A GLU 294.A N GLU 291.A O no hydrogen 3.386 N/A TYR 295.A N ILE 292.A O no hydrogen 2.978 N/A TYR 295.A OH PRO 289.A O no hydrogen 2.723 N/A CYS 296.A N GLU 293.A O no hydrogen 3.414 N/A CYS 296.A SG GLU 293.A O no hydrogen 3.333 N/A LEU 300.A N CYS 296.A O no hydrogen 3.115 N/A CYS 301.A N MET 297.A O no hydrogen 2.898 N/A CYS 301.A SG MET 297.A O no hydrogen 3.362 N/A CYS 301.A SG LEU 327.A O no hydrogen 3.834 N/A LYS 302.A N GLU 298.A O no hydrogen 3.150 N/A LYS 302.A NZ GLU 298.A OE2 no hydrogen 3.037 N/A GLU 303.A N VAL 299.A O no hydrogen 2.952 N/A MET 304.A N LEU 300.A O no hydrogen 3.174 N/A VAL 305.A N CYS 301.A O no hydrogen 3.108 N/A THR 306.A N LYS 302.A O no hydrogen 3.087 N/A THR 306.A OG1 LYS 302.A O no hydrogen 2.960 N/A PHE 307.A N GLU 303.A O no hydrogen 3.008 N/A LEU 308.A N MET 304.A O no hydrogen 3.230 N/A ASP 309.A N VAL 305.A O no hydrogen 2.909 N/A LYS 310.A N THR 306.A O no hydrogen 2.826 N/A LYS 310.A NZ THR 230.A O no hydrogen 2.980 N/A LEU 311.A N PHE 307.A O no hydrogen 3.137 N/A LEU 311.A N LEU 308.A O no hydrogen 3.262 N/A GLY 312.A N ASP 309.A O no hydrogen 3.116 N/A LEU 313.A N LEU 308.A O no hydrogen 2.817 N/A GLN 315.A NE2 GLU 337.A O no hydrogen 2.949 N/A ALA 316.A N ARG 338.A O no hydrogen 3.239 N/A VAL 317.A N ALA 247.A O no hydrogen 2.802 N/A PHE 318.A N ALA 341.A O no hydrogen 2.896 N/A ILE 319.A N CYS 249.A O no hydrogen 2.874 N/A GLY 320.A N ALA 343.A O no hydrogen 2.949 N/A HIS 321.A N CYS 251.A O no hydrogen 2.993 N/A HIS 321.A NE2 HIS 511.A O no hydrogen 2.782 N/A GLY 324.A N HIS 321.A O no hydrogen 2.987 N/A MET 326.A N ASP 322.A O no hydrogen 3.254 N/A LEU 327.A N TRP 323.A O no hydrogen 3.113 N/A VAL 328.A N GLY 324.A O no hydrogen 3.047 N/A TRP 329.A N GLY 325.A O no hydrogen 3.158 N/A TRP 329.A NE1 THR 347.A O no hydrogen 2.985 N/A TYR 330.A N MET 326.A O no hydrogen 3.212 N/A MET 331.A N LEU 327.A O no hydrogen 2.857 N/A ALA 332.A N VAL 328.A O no hydrogen 3.276 N/A LEU 333.A N TRP 329.A O no hydrogen 3.117 N/A PHE 334.A N TYR 330.A O no hydrogen 3.047 N/A TYR 335.A N MET 331.A O no hydrogen 2.850 N/A ARG 338.A N TYR 335.A O no hydrogen 3.167 N/A ARG 338.A NE SER 314.A O no hydrogen 2.808 N/A ARG 338.A NH1 ASP 309.A OD1 no hydrogen 2.735 N/A ARG 338.A NH2 ASP 309.A OD1 no hydrogen 2.738 N/A ARG 338.A NH2 LEU 313.A O no hydrogen 2.969 N/A VAL 339.A N PRO 336.A O no hydrogen 3.195 N/A ARG 340.A N ALA 316.A O no hydrogen 3.130 N/A ARG 340.A NH1 ARG 340.A O no hydrogen 3.258 N/A VAL 342.A N PRO 474.A O no hydrogen 2.896 N/A ALA 343.A N PHE 318.A O no hydrogen 2.961 N/A SER 344.A N LEU 476.A O no hydrogen 2.994 N/A SER 344.A OG THR 347.A O no hydrogen 2.649 N/A LEU 345.A N GLY 320.A O no hydrogen 2.924 N/A ASN 346.A N VAL 478.A O no hydrogen 2.738 N/A ASN 346.A ND2 ASP 483.A OD2 no hydrogen 2.572 N/A THR 347.A N LEU 345.A O no hydrogen 2.874 N/A THR 347.A OG1 ASP 322.A O no hydrogen 2.578 N/A GLU 360.A N SER 357.A O no hydrogen 3.044 N/A GLU 360.A N SER 357.A OG no hydrogen 3.238 N/A SER 361.A N SER 357.A O no hydrogen 3.181 N/A SER 361.A OG SER 357.A O no hydrogen 3.396 N/A ILE 362.A N PRO 358.A O no hydrogen 2.936 N/A LYS 363.A N LEU 359.A O no hydrogen 3.135 N/A ALA 364.A N GLU 360.A O no hydrogen 3.169 N/A ASN 365.A N ILE 362.A O no hydrogen 3.373 N/A PHE 368.A N ASN 365.A O no hydrogen 3.208 N/A ASP 369.A N PRO 366.A O no hydrogen 3.377 N/A GLN 371.A N PHE 368.A O no hydrogen 3.124 N/A GLN 371.A NE2 TYR 370.A OH no hydrogen 3.237 N/A LEU 372.A N ASP 369.A O no hydrogen 3.054 N/A TYR 373.A N ASP 369.A O no hydrogen 3.327 N/A TYR 373.A OH GLU 383.A OE1 no hydrogen 2.661 N/A PHE 374.A N TYR 370.A O no hydrogen 3.039 N/A GLN 375.A N LEU 372.A O no hydrogen 3.272 N/A GLN 375.A NE2 GLN 371.A O no hydrogen 2.835 N/A GLN 375.A NE2 TYR 453.A O no hydrogen 2.936 N/A GLY 378.A N GLU 381.A OE1 no hydrogen 2.957 N/A GLU 381.A N GLU 381.A OE1 no hydrogen 2.983 N/A ALA 382.A N GLY 378.A O no hydrogen 3.046 N/A GLU 383.A N VAL 379.A O no hydrogen 3.485 N/A LEU 384.A N ALA 380.A O no hydrogen 2.933 N/A GLU 385.A N GLU 381.A O no hydrogen 2.803 N/A GLN 386.A N ALA 382.A O no hydrogen 3.145 N/A ARG 390.A N ASN 387.A OD1 no hydrogen 3.358 N/A ARG 390.A NE PRO 420.A O no hydrogen 3.034 N/A ARG 390.A NH2 SER 419.A O no hydrogen 3.058 N/A THR 391.A N ASN 387.A O no hydrogen 3.054 N/A THR 391.A OG1 LEU 384.A O no hydrogen 2.725 N/A THR 391.A OG1 ASN 387.A O no hydrogen 3.117 N/A PHE 392.A N LEU 388.A O no hydrogen 3.119 N/A LYS 393.A N SER 389.A O no hydrogen 2.997 N/A LYS 393.A NZ GLU 431.A OE1 no hydrogen 2.711 N/A SER 394.A N ARG 390.A O no hydrogen 2.932 N/A SER 394.A OG ARG 390.A O no hydrogen 2.637 N/A LEU 395.A N THR 391.A O no hydrogen 3.148 N/A PHE 396.A N PHE 392.A O no hydrogen 2.953 N/A ARG 397.A NE GLU 401.A O no hydrogen 2.806 N/A ARG 397.A NH1 LYS 393.A O no hydrogen 2.739 N/A ARG 397.A NH1 SER 424.A O no hydrogen 2.811 N/A ARG 397.A NH2 SER 424.A O no hydrogen 3.094 N/A ARG 397.A NH2 SER 424.A OG no hydrogen 2.684 N/A ALA 398.A N GLU 401.A OE1 no hydrogen 2.913 N/A GLU 401.A N ALA 398.A O no hydrogen 3.030 N/A CYS 410.A SG ASP 369.A O no hydrogen 3.891 N/A ALA 412.A N LYS 408.A O no hydrogen 2.886 N/A GLY 413.A N VAL 409.A O no hydrogen 2.882 N/A GLY 413.A N CYS 410.A O no hydrogen 3.162 N/A GLY 414.A N VAL 409.A O no hydrogen 2.916 N/A LEU 415.A N GLU 383.A OE1 no hydrogen 2.934 N/A PHE 416.A N GLU 383.A OE2 no hydrogen 2.697 N/A SER 419.A N PHE 416.A O no hydrogen 3.069 N/A SER 426.A OG GLU 401.A OE1 no hydrogen 2.654 N/A ARG 427.A N GLU 401.A OE2 no hydrogen 2.986 N/A ARG 427.A NH2 ASP 516.A OD1 no hydrogen 2.899 N/A MET 428.A N SER 426.A OG no hydrogen 3.320 N/A VAL 429.A N SER 426.A O no hydrogen 3.359 N/A THR 430.A N GLU 433.A OE1 no hydrogen 3.062 N/A GLU 433.A N THR 430.A OG1 no hydrogen 3.156 N/A ILE 434.A N THR 430.A O no hydrogen 3.185 N/A GLN 435.A N GLU 431.A O no hydrogen 3.011 N/A GLN 435.A NE2 GLU 431.A OE2 no hydrogen 3.026 N/A PHE 436.A N GLU 432.A O no hydrogen 3.153 N/A TYR 437.A OH SER 260.A OG no hydrogen 2.785 N/A VAL 438.A N ILE 434.A O no hydrogen 3.028 N/A GLN 439.A N GLN 435.A O no hydrogen 2.928 N/A GLN 440.A N PHE 436.A O no hydrogen 3.020 N/A PHE 441.A N TYR 437.A O no hydrogen 3.041 N/A LYS 442.A NZ GLN 439.A OE1 no hydrogen 3.364 N/A GLY 445.A N PHE 441.A O no hydrogen 3.023 N/A PHE 446.A N GLU 385.A OE2 no hydrogen 2.783 N/A ARG 447.A NE PRO 290.A O no hydrogen 2.824 N/A LEU 450.A N PHE 446.A O no hydrogen 2.904 N/A ASN 451.A N ARG 447.A O no hydrogen 2.977 N/A ASN 451.A N GLY 448.A O no hydrogen 3.016 N/A ASN 451.A ND2 PRO 290.A O no hydrogen 2.972 N/A TRP 452.A N PRO 449.A O no hydrogen 3.290 N/A TRP 452.A NE1 LYS 281.A O no hydrogen 2.993 N/A TYR 453.A N LEU 450.A O no hydrogen 3.070 N/A ARG 454.A N ASN 451.A O no hydrogen 3.014 N/A ARG 454.A NE PHE 374.A O no hydrogen 2.753 N/A ARG 454.A NH1 GLU 381.A OE2 no hydrogen 2.832 N/A ARG 454.A NH1 ASN 451.A OD1 no hydrogen 3.181 N/A ARG 454.A NH2 PHE 374.A O no hydrogen 3.070 N/A ARG 454.A NH2 GLU 381.A OE1 no hydrogen 2.801 N/A ARG 454.A NH2 GLU 381.A OE2 no hydrogen 3.560 N/A ASN 455.A ND2 ILE 292.A O no hydrogen 3.090 N/A ASN 455.A ND2 ASN 451.A O no hydrogen 2.700 N/A ASN 459.A N ASN 455.A O no hydrogen 2.795 N/A TRP 460.A N MET 456.A O no hydrogen 3.052 N/A TRP 460.A NE1 ASN 353.A O no hydrogen 2.601 N/A LYS 461.A N GLU 457.A O no hydrogen 3.201 N/A TRP 462.A N ARG 458.A O no hydrogen 3.227 N/A ALA 463.A N ASN 459.A O no hydrogen 2.943 N/A CYS 464.A N TRP 460.A O no hydrogen 3.075 N/A CYS 464.A SG TRP 460.A O no hydrogen 3.279 N/A LYS 465.A N TRP 462.A O no hydrogen 3.224 N/A SER 466.A N ALA 463.A O no hydrogen 3.051 N/A SER 466.A OG ALA 463.A O no hydrogen 2.687 N/A LEU 467.A N CYS 464.A O no hydrogen 3.402 N/A ARG 469.A N SER 466.A O no hydrogen 2.992 N/A ARG 469.A NH1 LEU 333.A O no hydrogen 2.699 N/A ILE 471.A N TRP 497.A O no hydrogen 2.988 N/A LEU 476.A N VAL 342.A O no hydrogen 2.893 N/A MET 477.A N LYS 502.A O no hydrogen 2.991 N/A VAL 478.A N SER 344.A O no hydrogen 2.845 N/A THR 479.A N GLY 504.A O no hydrogen 3.006 N/A THR 479.A OG1 GLY 504.A O no hydrogen 3.374 N/A THR 479.A OG1 HIS 505.A ND1 no hydrogen 2.732 N/A GLU 481.A N ILE 506.A O no hydrogen 2.968 N/A LYS 482.A N CYS 509.A O no hydrogen 2.858 N/A LYS 482.A NZ ASP 508.A OD1 no hydrogen 2.965 N/A ASP 483.A N ALA 480.A O no hydrogen 3.181 N/A VAL 485.A N ASP 483.A OD1 no hydrogen 3.154 N/A LEU 486.A N ASP 483.A OD1 no hydrogen 2.905 N/A MET 490.A N VAL 487.A O no hydrogen 3.049 N/A SER 491.A N PRO 488.A O no hydrogen 3.341 N/A SER 491.A OG PRO 488.A O no hydrogen 2.681 N/A GLN 492.A N GLN 489.A O no hydrogen 2.955 N/A MET 494.A N SER 491.A O no hydrogen 3.191 N/A ASP 496.A N HIS 493.A O no hydrogen 3.120 N/A TRP 497.A N MET 494.A O no hydrogen 3.046 N/A ILE 498.A N MET 494.A O no hydrogen 2.779 N/A LEU 501.A N ILE 498.A O no hydrogen 3.273 N/A LYS 502.A N ALA 475.A O no hydrogen 2.955 N/A LYS 502.A NZ ASP 532.A OD1 no hydrogen 2.746 N/A ARG 503.A NE GLU 495.A OE2 no hydrogen 3.071 N/A ARG 503.A NH1 SER 491.A OG no hydrogen 2.844 N/A ARG 503.A NH2 SER 491.A O no hydrogen 2.730 N/A ARG 503.A NH2 GLU 495.A OE1 no hydrogen 2.901 N/A GLY 504.A N MET 477.A O no hydrogen 2.946 N/A HIS 505.A ND1 THR 479.A OG1 no hydrogen 2.732 N/A ILE 506.A N THR 479.A O no hydrogen 2.870 N/A ASP 508.A N GLU 481.A OE1 no hydrogen 2.781 N/A CYS 509.A SG GLY 510.A O no hydrogen 3.630 N/A GLY 510.A N ASP 516.A OD2 no hydrogen 2.811 N/A HIS 511.A NE2 ASP 322.A OD1 no hydrogen 2.531 N/A THR 513.A OG1 ASN 346.A OD1 no hydrogen 2.663 N/A THR 513.A OG1 HIS 511.A O no hydrogen 3.253 N/A GLN 514.A N GLN 514.A OE1 no hydrogen 2.915 N/A MET 515.A N TRP 512.A O no hydrogen 3.208 N/A ASP 516.A N TRP 512.A O no hydrogen 2.959 N/A LYS 517.A N THR 513.A O no hydrogen 3.097 N/A LYS 517.A NZ ASP 516.A O no hydrogen 3.432 N/A GLU 520.A N GLU 520.A OE1 no hydrogen 2.656 N/A VAL 521.A N LYS 517.A O no hydrogen 3.080 N/A ASN 522.A N PRO 518.A O no hydrogen 2.949 N/A ASN 522.A ND2 TYR 263.A O no hydrogen 3.076 N/A GLN 523.A N THR 519.A O no hydrogen 3.053 N/A ILE 524.A N GLU 520.A O no hydrogen 3.027 N/A LEU 525.A N VAL 521.A O no hydrogen 2.985 N/A ILE 526.A N ASN 522.A O no hydrogen 2.851 N/A LYS 527.A N GLN 523.A O no hydrogen 3.159 N/A TRP 528.A N ILE 524.A O no hydrogen 3.100 N/A LEU 529.A N LEU 525.A O no hydrogen 2.845 N/A ASP 530.A N ILE 526.A O no hydrogen 2.940 N/A SER 531.A N LYS 527.A O no hydrogen 3.287 N/A SER 531.A OG LYS 527.A O no hydrogen 2.980 N/A SER 531.A OG TRP 528.A O no hydrogen 3.185 N/A SER 531.A OG ASP 532.A OD1 no hydrogen 2.879 N/A ASP 532.A N TRP 528.A O no hydrogen 2.811 N/A ALA 533.A N LEU 529.A O no hydrogen 2.849 N/A ASN 535.A N TYR 273.A OH no hydrogen 3.500 N/A