Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ SER 506.A O no hydrogen 2.914 N/A THR 5.A N GLU 8.A OE1 no hydrogen 3.226 N/A THR 5.A OG1.B GLU 8.A OE2 no hydrogen 2.720 N/A GLU 8.A N THR 5.A O no hydrogen 3.045 N/A LEU 9.A N THR 5.A O no hydrogen 3.026 N/A ILE 10.A N LEU 6.A O no hydrogen 2.865 N/A GLY 13.A N ILE 10.A O no hydrogen 2.796 N/A GLU 14.A N GLU 7.A OE1 no hydrogen 2.926 N/A SER 15.A N GLU 7.A O no hydrogen 3.361 N/A SER 15.A OG GLU 8.A OE2 no hydrogen 3.332 N/A LEU 17.A N GLU 8.A O no hydrogen 2.911 N/A LEU 22.A N ASN 21.A OD1 no hydrogen 2.741 N/A GLN 26.A N ILE 33.A O no hydrogen 3.239 N/A GLN 26.A NE2 GLY 24.A O no hydrogen 2.758 N/A GLN 26.A NE2 VAL 76.A O no hydrogen 3.024 N/A TRP 27.A NE1 THR 397.A O no hydrogen 3.101 N/A TRP 28.A N GLU 31.A O no hydrogen 2.909 N/A GLU 31.A N TRP 28.A O no hydrogen 3.106 N/A CYS 32.A N ILE 43.A O no hydrogen 3.095 N/A CYS 32.A SG GLN 26.A O no hydrogen 3.930 N/A ILE 33.A N GLN 26.A O no hydrogen 2.875 N/A LYS 34.A N TYR 41.A O no hydrogen 2.868 N/A LYS 34.A NZ GLU 50.A OE2 no hydrogen 3.489 N/A LEU 40.A N ILE 53.A O no hydrogen 2.943 N/A TYR 41.A N LYS 34.A O no hydrogen 3.047 N/A SER 42.A N THR 51.A O no hydrogen 2.701 N/A ILE 43.A N CYS 32.A O no hydrogen 2.626 N/A GLN 44.A N LYS 49.A O no hydrogen 2.944 N/A LYS 46.A N GLN 44.A OE1 no hydrogen 3.168 N/A THR 47.A OG1 GLN 44.A O no hydrogen 3.537 N/A GLY 48.A N GLN 44.A O no hydrogen 2.682 N/A LYS 49.A N THR 47.A OG1 no hydrogen 3.096 N/A THR 51.A N SER 42.A O no hydrogen 2.724 N/A ARG 55.A N ASP 38.A O no hydrogen 2.817 N/A ARG 55.A NE.B VAL 37.A O no hydrogen 2.861 N/A ARG 55.A NH1.A VAL 37.A O no hydrogen 3.506 N/A ARG 55.A NH1.B LEU 70.A O no hydrogen 2.744 N/A ARG 55.A NH2.B ASP 38.A OD1 no hydrogen 2.983 N/A GLN 57.A N THR 54.A OG1 no hydrogen 3.197 N/A ILE 58.A N THR 54.A O no hydrogen 3.277 N/A ASN 59.A N ARG 55.A O no hydrogen 2.815 N/A ASN 59.A ND2 LEU 70.A O no hydrogen 3.160 N/A LYS 60.A N GLU 56.A O no hydrogen 2.932 N/A VAL 61.A N GLN 57.A O no hydrogen 3.328 N/A LEU 62.A N ILE 58.A O no hydrogen 2.849 N/A GLU 63.A N ASN 59.A O no hydrogen 2.950 N/A GLU 64.A N LYS 60.A O no hydrogen 3.235 N/A ASN 65.A N LEU 62.A O no hydrogen 3.056 N/A ASN 65.A ND2 VAL 61.A O no hydrogen 2.802 N/A LYS 66.A N GLU 63.A O no hydrogen 3.293 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 3.445 N/A ALA 67.A N LEU 62.A O no hydrogen 2.906 N/A LEU 70.A N ASN 59.A OD1 no hydrogen 2.855 N/A LEU 73.A N GLY 36.A O no hydrogen 3.094 N/A TYR 74.A N HIS 72.A ND1 no hydrogen 3.203 N/A ARG 77.A N LEU 86.A O no hydrogen 2.844 N/A PHE 78.A N GLN 26.A OE1 no hydrogen 3.207 N/A TRP 80.A NE1 ALA 120.A O no hydrogen 2.928 N/A PHE 87.A N ILE 94.A O no hydrogen 3.191 N/A ILE 89.A N LYS 92.A O no hydrogen 2.899 N/A LYS 92.A N ILE 89.A O no hydrogen 3.052 N/A LYS 92.A NZ THR 106.A OG1 no hydrogen 3.227 N/A PHE 93.A N PHE 107.A O no hydrogen 2.742 N/A ILE 94.A N PHE 87.A O no hydrogen 2.758 N/A VAL 95.A N SER 105.A O no hydrogen 2.842 N/A TYR 96.A OH ASN 101.A OD1 no hydrogen 2.651 N/A ASN 97.A N GLN 102.A O no hydrogen 2.845 N/A PHE 98.A N ALA 84.A O no hydrogen 2.956 N/A LYS 99.A N ASN 97.A OD1 no hydrogen 2.863 N/A ASN 100.A N ASN 97.A OD1 no hydrogen 3.200 N/A ASN 100.A ND2 GLN 102.A OE1 no hydrogen 3.515 N/A GLN 102.A N ASN 97.A O no hydrogen 3.297 N/A VAL 104.A N VAL 95.A O no hydrogen 2.727 N/A SER 105.A N VAL 95.A O no hydrogen 3.483 N/A PHE 107.A N PHE 93.A O no hydrogen 2.962 N/A LYS 108.A NZ PRO 109.A O no hydrogen 2.693 N/A LYS 110.A N TYR 127.A OH no hydrogen 3.471 N/A LYS 110.A NZ GLU 137.A O no hydrogen 2.743 N/A ASN 114.A N THR 128.A O no hydrogen 2.831 N/A ASN 115.A ND2 THR 128.A OG1 no hydrogen 2.952 N/A ASP 117.A N ALA 126.A O no hydrogen 2.687 N/A CYS 119.A N ASN 124.A O no hydrogen 2.848 N/A CYS 119.A SG SER 122.A OG no hydrogen 3.712 N/A SER 122.A N CYS 119.A O no hydrogen 3.251 N/A SER 122.A OG GLY 170.A O no hydrogen 2.915 N/A GLY 123.A N CYS 119.A O no hydrogen 2.738 N/A ASN 124.A ND2 GLY 170.A O no hydrogen 3.219 N/A VAL 125.A N ASN 136.A OD1 no hydrogen 3.064 N/A ALA 126.A N ASP 117.A O no hydrogen 2.974 N/A TYR 127.A N TYR 134.A O no hydrogen 2.894 N/A TYR 127.A OH ASN 136.A O no hydrogen 2.571 N/A THR 128.A N ASN 114.A O no hydrogen 2.780 N/A THR 128.A OG1 ASN 114.A O no hydrogen 3.569 N/A ILE 129.A N ASN 132.A O no hydrogen 3.056 N/A ASN 131.A ND2 GLU 143.A O no hydrogen 2.857 N/A ASN 131.A ND2 ILE 147.A O no hydrogen 2.986 N/A ASN 132.A N ILE 129.A O no hydrogen 3.178 N/A LEU 133.A N THR 141.A OG1 no hydrogen 2.956 N/A TYR 134.A N TYR 127.A O no hydrogen 2.815 N/A VAL 135.A N LYS 138.A O no hydrogen 2.927 N/A ASN 136.A N VAL 125.A O no hydrogen 2.868 N/A ASN 136.A ND2 ASN 124.A OD1 no hydrogen 3.029 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.885 N/A LYS 138.A N VAL 135.A O no hydrogen 3.141 N/A VAL 140.A N LEU 133.A O no hydrogen 2.685 N/A THR 141.A N LEU 133.A O no hydrogen 3.365 N/A THR 141.A OG1 ASN 132.A OD1 no hydrogen 3.061 N/A GLU 143.A N ASN 132.A OD1 no hydrogen 2.736 N/A ILE 147.A N PRO 144.A O no hydrogen 3.193 N/A CYS 149.A N ASN 131.A O no hydrogen 2.786 N/A CYS 149.A SG THR 141.A OG1 no hydrogen 3.768 N/A GLY 150.A N TYR 176.A O no hydrogen 2.822 N/A GLN 151.A NE2 ASP 130.A O no hydrogen 2.950 N/A GLN 151.A NE2 CYS 149.A O no hydrogen 3.469 N/A THR 152.A OG1 ILE 160.A O no hydrogen 3.434 N/A HIS 154.A ND1 HIS 207.A NE2 no hydrogen 2.981 N/A ARG 155.A NE GLU 596.A OE1 no hydrogen 3.067 N/A ARG 155.A NH2 ASP 637.A O no hydrogen 2.812 N/A ASN 156.A N VAL 153.A O no hydrogen 3.155 N/A ASN 156.A ND2 ILE 160.A O no hydrogen 3.242 N/A GLU 157.A N HIS 154.A O no hydrogen 3.007 N/A ILE 160.A N GLU 157.A O no hydrogen 3.036 N/A LYS 162.A NZ THR 164.A O no hydrogen 3.276 N/A THR 164.A OG1 ASP 117.A OD2 no hydrogen 3.006 N/A PHE 165.A N ALA 174.A O no hydrogen 2.772 N/A TRP 166.A NE1.A ASP 117.A O no hydrogen 2.970 N/A TRP 166.A NE1.B ASP 117.A O no hydrogen 2.942 N/A SER 167.A N LEU 172.A O no hydrogen 2.868 N/A SER 167.A OG.A LEU 172.A O no hydrogen 3.245 N/A SER 167.A OG.B LEU 172.A O no hydrogen 3.303 N/A SER 167.A OG.B GLU 243.A OE2 no hydrogen 2.594 N/A LYS 169.A N GLU 243.A OE2 no hydrogen 3.212 N/A GLY 170.A N SER 167.A O no hydrogen 2.838 N/A LEU 172.A N SER 167.A OG.B no hydrogen 2.940 N/A LEU 173.A N TYR 214.A O no hydrogen 2.855 N/A ALA 174.A N PHE 165.A O no hydrogen 2.916 N/A PHE 175.A N GLY 212.A O no hydrogen 2.895 N/A TYR 176.A N GLY 163.A O no hydrogen 3.101 N/A TYR 176.A OH PHE 234.A O no hydrogen 2.702 N/A ARG 177.A N LYS 210.A O no hydrogen 2.847 N/A ARG 177.A NE GLU 143.A OE2 no hydrogen 3.213 N/A ARG 177.A NH2 GLU 143.A OE1 no hydrogen 2.983 N/A ARG 177.A NH2 GLU 143.A OE2 no hydrogen 3.354 N/A GLU 179.A N GLY 146.A O no hydrogen 2.776 N/A SER 180.A N ASP 178.A OD1 no hydrogen 3.189 N/A SER 180.A OG.A ASP 178.A OD1 no hydrogen 2.685 N/A SER 180.A OG.B ASP 178.A OD1 no hydrogen 2.853 N/A THR 182.A OG1 TYR 201.A O no hydrogen 2.962 N/A TYR 184.A N VAL 199.A O no hydrogen 2.739 N/A LEU 186.A N ASN 197.A O no hydrogen 3.011 N/A ASP 188.A N GLU 195.A O no hydrogen 2.743 N/A THR 190.A N ASP 188.A OD1 no hydrogen 3.079 N/A THR 190.A OG1 ASP 188.A OD1 no hydrogen 2.615 N/A ARG 192.A NH1 ARG 192.A O no hydrogen 3.035 N/A GLU 195.A N ASP 188.A O no hydrogen 3.289 N/A ASN 197.A N LEU 186.A O no hydrogen 2.585 N/A ASN 197.A ND2 VAL 196.A O no hydrogen 3.044 N/A VAL 199.A N TYR 184.A O no hydrogen 3.054 N/A ARG 200.A NH1 VAL 181.A O no hydrogen 2.800 N/A ARG 200.A NH2 GLU 145.A OE2.A no hydrogen 3.280 N/A TYR 201.A N THR 182.A O no hydrogen 2.980 N/A TYR 201.A OH THR 638.A O no hydrogen 2.537 N/A GLY 204.A N GLU 600.A OE2 no hydrogen 2.892 N/A HIS 207.A NE2 HIS 154.A ND1 no hydrogen 2.981 N/A GLN 208.A N ASP 178.A O no hydrogen 2.847 N/A LYS 210.A N ARG 177.A O no hydrogen 2.918 N/A GLY 212.A N PHE 175.A O no hydrogen 2.793 N/A ILE 213.A N ILE 222.A O no hydrogen 2.705 N/A TYR 214.A N LEU 173.A O no hydrogen 2.731 N/A ASN 215.A N LYS 220.A O no hydrogen 3.112 N/A ALA 217.A N ASN 215.A OD1 no hydrogen 2.976 N/A THR 218.A N ASN 215.A O no hydrogen 3.145 N/A THR 218.A OG1 ASN 215.A O no hydrogen 3.519 N/A GLY 219.A N ASN 215.A O no hydrogen 2.747 N/A LYS 220.A N THR 218.A OG1 no hydrogen 3.208 N/A ILE 222.A N ILE 213.A O no hydrogen 3.027 N/A LEU 224.A N VAL 211.A O no hydrogen 2.836 N/A ASN 225.A N GLY 268.A O no hydrogen 2.756 N/A ASN 225.A ND2 GLU 269.A OE1 no hydrogen 2.977 N/A ASN 225.A ND2 GLU 269.A OE2 no hydrogen 3.367 N/A THR 230.A N ASP 228.A OD1 no hydrogen 3.233 N/A THR 230.A OG1 ASP 228.A OD1 no hydrogen 2.769 N/A ARG 232.A NE GLU 250.A OE2 no hydrogen 2.687 N/A ARG 232.A NH1 ALA 226.A O no hydrogen 2.991 N/A ARG 232.A NH1 ASP 228.A O no hydrogen 2.642 N/A ARG 232.A NH2 ALA 226.A O no hydrogen 2.819 N/A ARG 232.A NH2 GLU 250.A OE1 no hydrogen 2.934 N/A ARG 232.A NH2 GLU 250.A OE2 no hydrogen 3.337 N/A TYR 233.A N VAL 251.A O no hydrogen 2.752 N/A PHE 234.A N HIS 154.A NE2 no hydrogen 3.103 N/A THR 235.A N ILE 249.A O no hydrogen 3.009 N/A THR 235.A OG1 ILE 249.A O no hydrogen 2.840 N/A ASN 236.A ND2 PHE 158.A O no hydrogen 3.655 N/A SER 238.A N TYR 247.A O no hydrogen 2.905 N/A SER 238.A OG ILE 287.A O no hydrogen 2.828 N/A TRP 239.A NE1 PHE 165.A O no hydrogen 3.032 N/A ALA 240.A N SER 245.A O no hydrogen 2.986 N/A GLU 243.A N ALA 240.A O no hydrogen 3.013 N/A LYS 244.A N ASP 242.A OD1 no hydrogen 2.920 N/A LEU 246.A N TYR 263.A O no hydrogen 2.780 N/A TYR 247.A N SER 238.A O no hydrogen 2.712 N/A LEU 248.A N CYS 261.A O no hydrogen 3.024 N/A ILE 249.A N THR 235.A O no hydrogen 2.807 N/A GLU 250.A N LYS 259.A O no hydrogen 2.931 N/A VAL 251.A N TYR 233.A O no hydrogen 3.012 N/A ASN 252.A N HIS 257.A O no hydrogen 3.284 N/A ASN 252.A ND2 ASN 256.A OD1 no hydrogen 2.854 N/A ARG 253.A NE GLU 600.A OE1 no hydrogen 3.117 N/A ARG 253.A NH1 ASP 231.A OD1 no hydrogen 3.111 N/A ARG 253.A NH2 GLU 600.A OE2 no hydrogen 2.786 N/A GLN 255.A N ASN 252.A O no hydrogen 3.017 N/A ASN 256.A N ASN 252.A OD1 no hydrogen 3.175 N/A HIS 257.A N ASN 252.A OD1 no hydrogen 3.071 N/A HIS 257.A NE2 GLU 275.A OE1 no hydrogen 2.673 N/A ALA 258.A N GLU 276.A O no hydrogen 2.771 N/A LYS 259.A N GLU 250.A O no hydrogen 2.846 N/A LEU 260.A N TYR 274.A O no hydrogen 2.819 N/A CYS 261.A N LEU 248.A O no hydrogen 2.894 N/A CYS 261.A SG LYS 259.A O no hydrogen 3.469 N/A GLN 262.A N GLY 271.A O no hydrogen 3.149 N/A GLN 262.A NE2 SER 245.A OG no hydrogen 2.899 N/A TYR 263.A N LEU 246.A O no hydrogen 2.736 N/A ASN 264.A N GLU 269.A O no hydrogen 2.818 N/A ALA 265.A N LYS 244.A O no hydrogen 2.976 N/A GLU 266.A N ASN 264.A OD1 no hydrogen 2.851 N/A THR 267.A N ASN 264.A OD1 no hydrogen 2.864 N/A GLY 268.A N ASN 264.A O no hydrogen 2.758 N/A GLU 269.A N THR 267.A OG1 no hydrogen 3.266 N/A LEU 273.A N LEU 260.A O no hydrogen 2.963 N/A TYR 274.A OH GLU 276.A OE1 no hydrogen 2.820 N/A GLU 275.A N PHE 332.A O no hydrogen 3.131 N/A GLU 276.A N ALA 258.A O no hydrogen 2.856 N/A HIS 277.A NE2 ASN 327.A O no hydrogen 2.773 N/A LYS 279.A N HIS 277.A ND1 no hydrogen 3.091 N/A LYS 279.A NZ ASN 527.A O no hydrogen 3.178 N/A LYS 279.A NZ ASN 527.A OD1 no hydrogen 3.468 N/A TYR 280.A OH GLU 526.A OE2 no hydrogen 2.517 N/A VAL 281.A N GLN 255.A O no hydrogen 2.909 N/A GLN 284.A NE2 GLU 282.A O no hydrogen 3.227 N/A VAL 288.A N ILE 298.A O no hydrogen 3.109 N/A LEU 290.A N LYS 296.A O no hydrogen 3.085 N/A ASP 293.A N LEU 290.A O no hydrogen 3.253 N/A THR 295.A N ASP 293.A OD1 no hydrogen 2.993 N/A THR 295.A OG1 ASP 293.A OD1 no hydrogen 2.797 N/A THR 295.A OG1 ASP 293.A OD2 no hydrogen 3.291 N/A LYS 296.A N ASP 293.A O no hydrogen 3.282 N/A LYS 296.A NZ ASP 293.A OD2 no hydrogen 3.521 N/A PHE 297.A N PHE 312.A O no hydrogen 3.124 N/A ILE 298.A N VAL 288.A O no hydrogen 2.733 N/A TYR 299.A N TYR 310.A O no hydrogen 2.892 N/A SER 301.A N HIS 308.A O no hydrogen 3.018 N/A SER 301.A OG GLU 276.A OE1 no hydrogen 2.721 N/A SER 301.A OG GLU 276.A OE2 no hydrogen 3.371 N/A ARG 303.A N SER 301.A OG no hydrogen 3.034 N/A ARG 303.A NH1 TYR 274.A OH no hydrogen 3.076 N/A ARG 303.A NH1 GLN 333.A OE1 no hydrogen 2.814 N/A ARG 303.A NH2 GLN 333.A OE1 no hydrogen 2.956 N/A GLY 305.A N GLN 302.A O no hydrogen 2.733 N/A TYR 306.A N ASP 304.A OD1 no hydrogen 3.182 N/A ASN 307.A ND2 GLN 300.A OE1 no hydrogen 2.851 N/A ASN 307.A ND2 VAL 347.A O no hydrogen 2.781 N/A HIS 308.A N SER 301.A O no hydrogen 2.802 N/A HIS 308.A ND1 THR 341.A OG1 no hydrogen 2.673 N/A HIS 308.A NE2 GLY 343.A O no hydrogen 2.995 N/A LEU 309.A N THR 341.A OG1 no hydrogen 3.059 N/A TYR 310.A N TYR 299.A O no hydrogen 2.888 N/A LEU 311.A N LYS 338.A O no hydrogen 2.742 N/A PHE 312.A N PHE 297.A O no hydrogen 2.882 N/A THR 314.A N THR 295.A O no hydrogen 2.796 N/A THR 314.A OG1 PRO 294.A O no hydrogen 3.063 N/A ALA 316.A N GLU 313.A O no hydrogen 3.293 N/A ASN 318.A N ASN 315.A O no hydrogen 3.181 N/A ASN 318.A ND2 ASN 315.A OD1 no hydrogen 3.137 N/A LYS 319.A NZ GLU 321.A OE2 no hydrogen 2.894 N/A GLU 321.A N GLN 333.A O no hydrogen 2.962 N/A TYR 323.A N TYR 331.A O no hydrogen 2.919 N/A SER 325.A N GLY 329.A O no hydrogen 2.792 N/A SER 325.A OG ARG 303.A O no hydrogen 3.200 N/A SER 325.A OG ASN 327.A OD1 no hydrogen 2.690 N/A ASN 327.A N ARG 303.A O no hydrogen 3.130 N/A ASN 327.A ND2 GLN 302.A O no hydrogen 3.344 N/A GLY 328.A N SER 325.A O no hydrogen 3.014 N/A GLY 329.A N ASN 327.A OD1 no hydrogen 2.879 N/A TYR 331.A N TYR 323.A O no hydrogen 2.879 N/A PHE 332.A N GLU 275.A O no hydrogen 2.872 N/A GLN 333.A N GLU 321.A O no hydrogen 3.007 N/A LYS 338.A N LEU 311.A O no hydrogen 3.083 N/A LYS 338.A NZ SER 378.A O no hydrogen 3.491 N/A GLN 339.A NE2 ASP 304.A OD2 no hydrogen 3.230 N/A GLN 339.A NE2 THR 341.A O no hydrogen 2.791 N/A LEU 340.A N LEU 309.A O no hydrogen 2.913 N/A THR 341.A OG1 HIS 308.A ND1 no hydrogen 2.673 N/A LYS 342.A NZ ASP 304.A OD2 no hydrogen 2.898 N/A LYS 342.A NZ GLN 339.A OE1 no hydrogen 2.804 N/A LEU 346.A N VAL 365.A O no hydrogen 2.972 N/A VAL 347.A N ASN 307.A O no hydrogen 2.906 N/A SER 348.A N THR 363.A O no hydrogen 2.910 N/A SER 348.A OG THR 363.A O no hydrogen 3.473 N/A LEU 351.A N ILE 361.A O no hydrogen 2.905 N/A GLY 352.A N ILE 361.A O no hydrogen 3.454 N/A ASN 354.A N GLU 359.A O no hydrogen 3.041 N/A ASN 354.A ND2 GLY 402.A O no hydrogen 3.049 N/A ARG 357.A N.A ASN 354.A OD1 no hydrogen 3.091 N/A ARG 357.A N.B ASN 354.A OD1 no hydrogen 3.097 N/A ARG 357.A NE.A GLU 359.A OE1 no hydrogen 3.118 N/A ARG 357.A NE.B GLU 359.A OE1 no hydrogen 2.868 N/A ARG 357.A NH2.A GLU 359.A OE2 no hydrogen 2.866 N/A ARG 357.A NH2.B GLU 359.A OE1 no hydrogen 3.087 N/A ARG 357.A NH2.B THR 423.A OG1 no hydrogen 2.707 N/A GLU 359.A N ASN 354.A O no hydrogen 3.036 N/A VAL 360.A N VAL 375.A O no hydrogen 3.070 N/A ILE 361.A N GLY 352.A O no hydrogen 2.872 N/A PHE 362.A N PHE 373.A O no hydrogen 2.740 N/A THR 363.A N GLU 349.A O no hydrogen 2.839 N/A THR 363.A OG1 HIS 372.A ND1 no hydrogen 2.905 N/A ALA 364.A N GLY 371.A O no hydrogen 2.969 N/A VAL 365.A N LEU 346.A O no hydrogen 2.889 N/A GLU 366.A N ARG 369.A O.A no hydrogen 3.019 N/A GLU 366.A N ARG 369.A O.B no hydrogen 2.976 N/A GLY 367.A N ASN 520.A O no hydrogen 2.856 N/A ARG 369.A N.A GLU 366.A O no hydrogen 2.830 N/A ARG 369.A N.B GLU 366.A O no hydrogen 2.836 N/A ARG 369.A NE.B CYS 389.A O no hydrogen 2.791 N/A ARG 369.A NH1.B GLU 387.A OE1 no hydrogen 3.242 N/A ARG 369.A NH2.A GLU 366.A OE1 no hydrogen 2.463 N/A ARG 369.A NH2.B CYS 389.A O no hydrogen 2.865 N/A GLY 371.A N ALA 364.A O no hydrogen 3.085 N/A HIS 372.A NE2 ASP 407.A OD1 no hydrogen 2.902 N/A PHE 373.A N PHE 362.A O no hydrogen 2.727 N/A ALA 374.A N SER 383.A OG no hydrogen 3.156 N/A VAL 375.A N VAL 360.A O no hydrogen 3.060 N/A ASN 376.A N LYS 381.A O no hydrogen 3.004 N/A VAL 377.A N LYS 358.A O no hydrogen 2.987 N/A ASN 379.A N ASN 376.A OD1 no hydrogen 2.979 N/A GLY 380.A N ASN 376.A O no hydrogen 2.893 N/A LYS 381.A N ASN 379.A OD1 no hydrogen 3.014 N/A SER 383.A N ALA 374.A O no hydrogen 2.755 N/A SER 383.A OG ALA 374.A O no hydrogen 3.436 N/A ASN 388.A N PRO 385.A O no hydrogen 3.110 N/A ASN 388.A ND2 GLN 384.A OE1 no hydrogen 2.988 N/A CYS 389.A N PHE 386.A O no hydrogen 2.967 N/A CYS 389.A SG SER 370.A O no hydrogen 3.356 N/A LYS 390.A NZ ASN 388.A O no hydrogen 3.339 N/A SER 392.A N LEU 368.A O no hydrogen 3.024 N/A SER 392.A OG LYS 390.A O no hydrogen 3.313 N/A GLU 393.A N SER 410.A O no hydrogen 3.019 N/A HIS 394.A ND1 ASP 407.A OD1 no hydrogen 2.877 N/A SER 395.A N ARG 408.A O no hydrogen 2.786 N/A THR 397.A N ILE 406.A O no hydrogen 3.092 N/A SER 399.A N TYR 404.A O no hydrogen 2.769 N/A SER 399.A OG ASP 30.A OD1 no hydrogen 2.762 N/A SER 399.A OG TYR 404.A O no hydrogen 3.220 N/A ALA 400.A N GLY 29.A O no hydrogen 3.134 N/A SER 401.A N ASP 30.A OD1 no hydrogen 3.091 N/A SER 401.A OG ASP 30.A OD2 no hydrogen 2.696 N/A GLY 402.A N SER 399.A O no hydrogen 3.026 N/A THR 403.A OG1 ASP 30.A OD1 no hydrogen 3.318 N/A TYR 404.A N SER 399.A OG no hydrogen 3.153 N/A LEU 405.A N VAL 421.A O no hydrogen 2.973 N/A ILE 406.A N THR 397.A O no hydrogen 2.713 N/A ASP 407.A N ASN 419.A O no hydrogen 2.789 N/A ARG 408.A N SER 395.A O no hydrogen 2.784 N/A ARG 408.A NH1 ASN 21.A OD1 no hydrogen 2.799 N/A ARG 408.A NH2 ASN 21.A OD1 no hydrogen 3.471 N/A ARG 408.A NH2 LEU 22.A O no hydrogen 2.668 N/A TYR 409.A N VAL 417.A O no hydrogen 2.941 N/A SER 410.A N GLU 393.A O no hydrogen 3.169 N/A THR 411.A N GLN 414.A O.A no hydrogen 3.169 N/A THR 411.A N GLN 414.A O.B no hydrogen 3.175 N/A LYS 412.A NZ ILE 446.A O no hydrogen 2.777 N/A GLN 414.A N.A THR 411.A O no hydrogen 3.155 N/A GLN 414.A N.B THR 411.A O no hydrogen 3.125 N/A GLN 414.A NE2.B THR 411.A OG1 no hydrogen 2.784 N/A ARG 416.A NH1 GLU 20.A O no hydrogen 3.077 N/A VAL 417.A N TYR 409.A O no hydrogen 2.968 N/A ILE 418.A N LEU 433.A O no hydrogen 2.879 N/A ASN 419.A N ASP 407.A O no hydrogen 3.054 N/A LEU 420.A N ALA 430.A O no hydrogen 2.885 N/A VAL 421.A N LEU 405.A O no hydrogen 2.883 N/A ASP 422.A N LYS 427.A O no hydrogen 2.989 N/A THR 423.A N THR 403.A O no hydrogen 2.872 N/A THR 423.A OG1 GLY 402.A O no hydrogen 2.559 N/A THR 423.A OG1 THR 403.A O no hydrogen 3.092 N/A LYS 424.A N ASP 422.A OD1 no hydrogen 2.965 N/A LYS 427.A N ASN 425.A OD1 no hydrogen 3.126 N/A THR 429.A N LEU 420.A O no hydrogen 2.826 N/A THR 429.A OG1 PRO 45.A O no hydrogen 3.259 N/A THR 429.A OG1 LYS 46.A O no hydrogen 3.488 N/A ASN 431.A ND2 ASN 419.A OD1 no hydrogen 3.027 N/A ASN 431.A ND2 LEU 433.A O no hydrogen 3.010 N/A LEU 432.A N ILE 418.A O no hydrogen 2.697 N/A LEU 433.A N ILE 418.A O no hydrogen 3.149 N/A ALA 435.A N ARG 416.A O no hydrogen 2.810 N/A GLU 436.A N GLU 20.A OE2 no hydrogen 3.132 N/A TYR 439.A N ASN 437.A OD1 no hydrogen 2.879 N/A ASP 440.A N ASN 437.A O no hydrogen 3.282 N/A TYR 442.A N TYR 439.A O no hydrogen 3.097 N/A GLN 443.A N LYS 2.A O no hydrogen 2.692 N/A SER 445.A N LYS 465.A O no hydrogen 2.967 N/A GLU 447.A N LEU 464.A O no hydrogen 2.921 N/A GLY 449.A N TYR 462.A O no hydrogen 3.098 N/A ILE 451.A N LEU 460.A O no hydrogen 3.105 N/A LYS 452.A NZ THR 457.A O no hydrogen 2.820 N/A LYS 452.A NZ ASP 459.A OD1 no hydrogen 2.798 N/A ALA 453.A N THR 458.A O no hydrogen 2.739 N/A ALA 454.A N ASP 540.A OD1 no hydrogen 2.770 N/A GLY 456.A N ALA 453.A O no hydrogen 3.094 N/A THR 457.A N ASP 455.A OD1 no hydrogen 2.909 N/A THR 457.A OG1 ASP 455.A OD1 no hydrogen 3.340 N/A THR 458.A N ASP 455.A OD1 no hydrogen 2.862 N/A THR 458.A OG1 ASP 455.A OD1 no hydrogen 3.427 N/A THR 458.A OG1 ASP 455.A OD2 no hydrogen 2.691 N/A LEU 460.A N ILE 451.A O no hydrogen 2.742 N/A TYR 462.A N GLY 449.A O no hydrogen 2.983 N/A ARG 463.A N THR 512.A O no hydrogen 2.857 N/A ARG 463.A NH1 CYS 489.A O no hydrogen 3.017 N/A ARG 463.A NH1 ASN 496.A O no hydrogen 2.715 N/A LEU 464.A N GLU 447.A O no hydrogen 2.652 N/A LYS 465.A NZ GLU 447.A OE1 no hydrogen 3.294 N/A LYS 465.A NZ GLU 447.A OE2 no hydrogen 2.778 N/A LYS 465.A NZ TYR 553.A OH no hydrogen 3.074 N/A PHE 469.A N PRO 466.A O no hydrogen 3.154 N/A ASP 470.A N TYR 475.A OH no hydrogen 2.912 N/A ALA 472.A N ASP 470.A OD1 no hydrogen 3.318 N/A LYS 473.A N ASP 470.A O no hydrogen 3.259 N/A LYS 474.A NZ PRO 552.A O no hydrogen 3.182 N/A LYS 474.A NZ VAL 554.A O no hydrogen 2.912 N/A TYR 475.A N TYR 553.A O no hydrogen 2.727 N/A VAL 477.A N ARG 558.A O no hydrogen 2.954 N/A ILE 478.A N ILE 510.A O no hydrogen 2.891 N/A VAL 479.A N GLY 560.A O no hydrogen 2.955 N/A TYR 480.A N PHE 511.A O no hydrogen 2.766 N/A VAL 481.A N HIS 562.A O no hydrogen 2.837 N/A HIS 486.A NE2 GLU 282.A OE2 no hydrogen 2.721 N/A GLN 488.A NE2 GLY 367.A O no hydrogen 3.055 N/A CYS 489.A N ASP 514.A OD1 no hydrogen 2.859 N/A VAL 490.A N ASP 514.A OD2 no hydrogen 2.623 N/A THR 491.A N ASN 496.A O no hydrogen 3.265 N/A GLY 493.A N THR 491.A OG1 no hydrogen 3.327 N/A TRP 494.A N SER 410.A OG no hydrogen 3.206 N/A GLN 495.A N LYS 412.A O no hydrogen 2.993 N/A ASN 496.A N GLY 493.A O no hydrogen 2.928 N/A ASN 496.A ND2 THR 491.A O no hydrogen 2.969 N/A GLY 497.A N TRP 494.A O no hydrogen 3.234 N/A ALA 498.A N GLN 495.A O no hydrogen 2.955 N/A ARG 499.A N ASP 502.A OD2 no hydrogen 2.775 N/A TRP 501.A NE1 THR 682.A OG1 no hydrogen 2.937 N/A THR 503.A N ARG 499.A O no hydrogen 3.296 N/A THR 503.A OG1 ARG 499.A O no hydrogen 3.356 N/A TYR 504.A N GLY 500.A O no hydrogen 2.959 N/A SER 506.A N THR 503.A O no hydrogen 3.072 N/A SER 506.A OG THR 503.A O no hydrogen 3.311 N/A LYS 507.A NZ TYR 504.A OH no hydrogen 3.392 N/A GLY 508.A N ALA 505.A O no hydrogen 3.271 N/A ILE 510.A N PRO 476.A O no hydrogen 2.945 N/A THR 512.A N ARG 463.A O no hydrogen 3.123 N/A THR 512.A OG1 TYR 480.A O no hydrogen 3.113 N/A ASP 514.A N HIS 461.A O no hydrogen 2.919 N/A ASN 515.A ND2 GLY 483.A O no hydrogen 3.072 N/A ASN 515.A ND2 ARG 516.A O no hydrogen 2.959 N/A ARG 516.A N ASP 540.A OD2 no hydrogen 2.943 N/A ARG 516.A NE ASP 540.A OD1 no hydrogen 3.386 N/A ARG 516.A NE ASP 540.A OD2 no hydrogen 2.941 N/A ARG 516.A NH1 GLU 536.A OE1 no hydrogen 3.562 N/A ARG 516.A NH2 GLU 536.A OE1 no hydrogen 3.082 N/A ARG 516.A NH2 ASP 540.A OD1 no hydrogen 2.915 N/A GLY 517.A N PHE 525.A O no hydrogen 2.943 N/A SER 518.A N ASN 515.A O no hydrogen 3.274 N/A SER 518.A OG ASN 515.A O no hydrogen 2.558 N/A SER 519.A N ALA 487.A O no hydrogen 3.060 N/A ASN 520.A ND2 GLN 488.A OE1 no hydrogen 2.999 N/A ARG 521.A NH1 ASP 459.A O no hydrogen 3.001 N/A ARG 521.A NH2 ASP 459.A O no hydrogen 2.706 N/A LEU 523.A N GLY 305.A O no hydrogen 3.007 N/A ASN 527.A N LEU 523.A O no hydrogen 2.781 N/A THR 529.A OG1 GLU 526.A O no hydrogen 3.420 N/A PHE 530.A N ASN 527.A O no hydrogen 3.269 N/A ARG 531.A N TYR 602.A O no hydrogen 2.667 N/A ARG 531.A NH1 ASP 603.A OD2 no hydrogen 2.707 N/A ARG 531.A NH1 SER 607.A O no hydrogen 3.404 N/A ARG 531.A NH1 SER 607.A OG no hydrogen 3.327 N/A ARG 531.A NH2 SER 607.A O no hydrogen 3.020 N/A ARG 532.A N THR 529.A O no hydrogen 3.117 N/A ARG 532.A NE GLU 614.A OE1 no hydrogen 2.910 N/A ARG 532.A NH2 GLU 614.A OE2 no hydrogen 2.842 N/A GLY 534.A N GLU 537.A OE2 no hydrogen 3.034 N/A ILE 535.A N ARG 532.A O no hydrogen 3.239 N/A GLU 537.A N GLU 537.A OE1 no hydrogen 3.013 N/A GLY 538.A N GLY 534.A O no hydrogen 2.931 N/A LYS 539.A N ILE 535.A O no hydrogen 3.189 N/A LYS 539.A NZ GLU 536.A OE2 no hydrogen 3.126 N/A ASP 540.A N GLU 536.A O no hydrogen 3.033 N/A GLN 541.A N GLU 537.A O no hydrogen 2.944 N/A GLN 541.A NE2 ILE 513.A O no hydrogen 3.294 N/A GLN 541.A NE2 ASN 515.A OD1 no hydrogen 2.832 N/A VAL 542.A N GLY 538.A O no hydrogen 2.884 N/A LYS 543.A N LYS 539.A O no hydrogen 3.137 N/A LYS 543.A NZ GLU 546.A OE1 no hydrogen 3.448 N/A GLY 544.A N ASP 540.A O no hydrogen 3.143 N/A VAL 545.A N GLN 541.A O no hydrogen 3.114 N/A GLU 546.A N VAL 542.A O no hydrogen 2.870 N/A PHE 547.A N LYS 543.A O no hydrogen 3.164 N/A LEU 548.A N GLY 544.A O no hydrogen 3.130 N/A LYS 549.A N VAL 545.A O no hydrogen 2.871 N/A SER 550.A N PHE 547.A O no hydrogen 2.973 N/A SER 550.A OG PHE 547.A O no hydrogen 2.652 N/A LEU 551.A N LEU 548.A O no hydrogen 2.964 N/A VAL 554.A N LEU 551.A O no hydrogen 3.286 N/A ASP 555.A N TYR 475.A O no hydrogen 2.966 N/A GLU 557.A N ASP 555.A OD1 no hydrogen 3.200 N/A ARG 558.A N ASP 555.A O no hydrogen 3.103 N/A ARG 558.A NE LEU 689.A OXT no hydrogen 2.837 N/A ARG 558.A NH2 LEU 689.A O no hydrogen 2.828 N/A ARG 558.A NH2 LEU 689.A OXT no hydrogen 3.156 N/A GLY 560.A N VAL 477.A O no hydrogen 2.873 N/A VAL 561.A N VAL 582.A O no hydrogen 2.987 N/A HIS 562.A N VAL 479.A O no hydrogen 2.946 N/A HIS 562.A ND1 VAL 584.A O no hydrogen 2.902 N/A GLY 563.A N VAL 584.A O no hydrogen 3.333 N/A TRP 564.A NE1 HIS 667.A O no hydrogen 3.057 N/A SER 565.A N GLY 586.A O no hydrogen 2.877 N/A SER 565.A OG HIS 667.A NE2 no hydrogen 2.920 N/A GLY 567.A N TRP 564.A O no hydrogen 3.040 N/A GLY 568.A N SER 565.A O no hydrogen 3.087 N/A HIS 569.A N SER 565.A O no hydrogen 3.223 N/A HIS 569.A ND1 VAL 589.A O no hydrogen 2.691 N/A THR 570.A OG1 GLY 567.A O no hydrogen 2.630 N/A THR 571.A N GLY 568.A O no hydrogen 3.049 N/A THR 571.A OG1 GLY 568.A O no hydrogen 2.983 N/A ALA 572.A N HIS 569.A O no hydrogen 2.780 N/A ARG 575.A N ALA 572.A O no hydrogen 2.757 N/A ARG 575.A NH2 GLU 614.A O no hydrogen 3.031 N/A TYR 576.A N LEU 573.A O no hydrogen 3.092 N/A ILE 579.A N TYR 576.A O no hydrogen 3.002 N/A LYS 581.A N ILE 559.A O no hydrogen 2.698 N/A LYS 581.A NZ LEU 689.A OXT no hydrogen 2.892 N/A GLY 583.A N HIS 627.A O no hydrogen 2.828 N/A VAL 584.A N VAL 561.A O no hydrogen 2.957 N/A ALA 585.A N LEU 629.A O no hydrogen 2.855 N/A GLY 586.A N GLY 563.A O no hydrogen 3.077 N/A GLY 587.A N ILE 631.A O no hydrogen 2.747 N/A ILE 590.A N HIS 643.A ND1 no hydrogen 2.849 N/A GLY 593.A N ASP 591.A OD1 no hydrogen 3.096 N/A TYR 594.A N ASP 591.A O no hydrogen 2.988 N/A TYR 595.A N TRP 592.A O no hydrogen 3.025 N/A ILE 597.A N PRO 202.A O no hydrogen 3.001 N/A GLY 599.A N GLU 596.A O no hydrogen 3.044 N/A GLU 600.A N ILE 597.A O no hydrogen 2.820 N/A ARG 601.A NE TYR 602.A OH no hydrogen 3.216 N/A ARG 601.A NH1 GLN 255.A OE1 no hydrogen 3.250 N/A ARG 601.A NH2 GLU 157.A OE1 no hydrogen 2.563 N/A ARG 601.A NH2 TYR 602.A OH no hydrogen 3.344 N/A SER 607.A N THR 604.A OG1 no hydrogen 2.974 N/A ASN 608.A N THR 604.A O no hydrogen 2.785 N/A ASN 608.A ND2 ARG 531.A O no hydrogen 2.918 N/A GLY 611.A N ASN 608.A OD1 no hydrogen 3.043 N/A TYR 612.A N ASN 608.A O no hydrogen 3.230 N/A TYR 612.A OH ASP 603.A O no hydrogen 2.929 N/A LYS 613.A N PRO 609.A O no hydrogen 3.088 N/A GLU 614.A N GLU 610.A O no hydrogen 3.085 N/A CYS 615.A N GLY 611.A O no hydrogen 3.051 N/A CYS 615.A SG LEU 533.A O no hydrogen 3.175 N/A CYS 615.A SG GLY 611.A O no hydrogen 3.297 N/A ASN 616.A N LYS 613.A O no hydrogen 3.251 N/A LEU 617.A N ILE 590.A O no hydrogen 3.038 N/A LYS 618.A N ASN 616.A OD1 no hydrogen 3.138 N/A LYS 618.A NZ ASP 591.A OD2 no hydrogen 3.273 N/A LYS 618.A NZ TYR 594.A OH no hydrogen 2.941 N/A ASN 619.A N ASN 616.A O no hydrogen 3.007 N/A ASN 619.A ND2 LYS 613.A O no hydrogen 2.947 N/A LEU 620.A N LEU 617.A O no hydrogen 3.178 N/A ALA 621.A N LYS 618.A O no hydrogen 3.346 N/A GLN 623.A N LEU 620.A O no hydrogen 2.852 N/A GLN 623.A NE2 ASP 622.A OD1 no hydrogen 3.454 N/A HIS 627.A N LYS 581.A O no hydrogen 3.267 N/A LEU 629.A N GLY 583.A O no hydrogen 2.994 N/A ILE 630.A N ASP 658.A O no hydrogen 2.868 N/A ILE 631.A N ALA 585.A O no hydrogen 2.818 N/A HIS 632.A N PHE 660.A O no hydrogen 2.914 N/A HIS 632.A ND1 THR 644.A OG1 no hydrogen 2.721 N/A HIS 632.A NE2 CYS 639.A O no hydrogen 2.796 N/A ASP 634.A N TYR 662.A O no hydrogen 3.101 N/A HIS 635.A N HIS 665.A O no hydrogen 3.106 N/A HIS 635.A ND1 ASP 634.A OD1 no hydrogen 2.643 N/A HIS 635.A NE2 ASN 197.A OD1 no hydrogen 2.963 N/A ASP 636.A N ASP 633.A O no hydrogen 3.149 N/A THR 638.A N ASP 636.A OD1 no hydrogen 2.956 N/A CYS 639.A N ASP 636.A OD1 no hydrogen 2.870 N/A CYS 639.A SG GLY 587.A O no hydrogen 3.544 N/A HIS 643.A N VAL 640.A O no hydrogen 3.197 N/A THR 644.A OG1 HIS 632.A ND1 no hydrogen 2.721 N/A LEU 645.A N PRO 641.A O no hydrogen 3.241 N/A SER 646.A N GLN 642.A O no hydrogen 2.788 N/A SER 646.A OG GLN 642.A O no hydrogen 3.061 N/A SER 646.A OG HIS 643.A O no hydrogen 3.100 N/A PHE 647.A N HIS 643.A O no hydrogen 3.107 N/A LYS 648.A NZ ASP 652.A OD2 no hydrogen 2.828 N/A ALA 649.A N SER 646.A O no hydrogen 3.103 N/A CYS 650.A N PHE 647.A O no hydrogen 3.089 N/A CYS 650.A SG PHE 647.A O no hydrogen 3.375 N/A ASP 652.A N LYS 648.A O no hydrogen 3.054 N/A ALA 653.A N ALA 649.A O no hydrogen 3.046 N/A ARG 654.A N VAL 651.A O no hydrogen 3.105 N/A THR 655.A N CYS 650.A O no hydrogen 2.783 N/A THR 655.A OG1 ALA 621.A O no hydrogen 2.920 N/A THR 655.A OG1 CYS 650.A O no hydrogen 3.499 N/A ASP 658.A N LEU 628.A O no hydrogen 2.719 N/A PHE 660.A N ILE 630.A O no hydrogen 2.955 N/A TYR 662.A N HIS 632.A O no hydrogen 3.085 N/A TYR 662.A OH HIS 676.A ND1 no hydrogen 2.630 N/A CYS 664.A N ASP 634.A OD1 no hydrogen 2.644 N/A HIS 665.A NE2 ASP 673.A OD2 no hydrogen 2.732 N/A HIS 667.A ND1 ASP 636.A OD1 no hydrogen 3.144 N/A HIS 667.A ND1 ASP 636.A OD2 no hydrogen 2.837 N/A HIS 667.A NE2 SER 565.A OG no hydrogen 2.920 N/A ARG 674.A N GLY 671.A O no hydrogen 2.932 N/A ARG 674.A NH1 VAL 669.A O no hydrogen 3.057 N/A VAL 675.A N ARG 672.A O no hydrogen 3.212 N/A HIS 676.A ND1 TYR 662.A OH no hydrogen 2.630 N/A LEU 677.A N ASP 673.A O no hydrogen 2.975 N/A HIS 678.A N ARG 674.A O no hydrogen 3.138 N/A HIS 678.A ND1 ARG 674.A O no hydrogen 2.775 N/A GLU 679.A N VAL 675.A O no hydrogen 3.023 N/A LYS 680.A N HIS 676.A O no hydrogen 2.998 N/A ILE 681.A N LEU 677.A O no hydrogen 3.051 N/A THR 682.A N HIS 678.A O no hydrogen 2.977 N/A THR 682.A OG1 HIS 678.A O no hydrogen 2.674 N/A ARG 683.A N GLU 679.A O no hydrogen 2.918 N/A ARG 683.A NE GLU 679.A OE2 no hydrogen 2.941 N/A TYR 684.A N LYS 680.A O no hydrogen 3.068 N/A TYR 684.A OH ASP 658.A OD2 no hydrogen 2.646 N/A PHE 685.A N ILE 681.A O no hydrogen 3.247 N/A GLU 686.A N THR 682.A O no hydrogen 2.957 N/A GLN 687.A N ARG 683.A O no hydrogen 3.030 N/A ASN 688.A N TYR 684.A O no hydrogen 3.161 N/A ASN 688.A ND2 TYR 684.A O no hydrogen 3.160 N/A LEU 689.A N PHE 685.A O no hydrogen 2.792 N/A