Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pyy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ASP 113.A OD1 no hydrogen 3.341 N/A LYS 3.A N ASP 114.A OD1 no hydrogen 2.796 N/A ARG 4.A NE GLU 102.A OE2 no hydrogen 3.032 N/A ARG 4.A NH1 ASN 106.A OD1 no hydrogen 3.248 N/A ARG 4.A NH2 GLU 102.A OE2 no hydrogen 3.238 N/A ARG 4.A NH2 ASN 106.A OD1 no hydrogen 3.243 N/A GLY 5.A N LEU 109.A O no hydrogen 2.641 N/A THR 6.A N ASP 117.A OD1 no hydrogen 2.670 N/A ILE 7.A N ALA 16.A O no hydrogen 2.777 N/A TYR 8.A N VAL 118.A O no hydrogen 2.786 N/A ASP 9.A N VAL 13.A O no hydrogen 2.801 N/A ARG 10.A N ILE 122.A O no hydrogen 2.690 N/A ARG 10.A NE LEU 475.A O no hydrogen 2.776 N/A ARG 10.A NH1 THR 121.A O no hydrogen 2.595 N/A ARG 10.A NH1 GLU 157.A OE1 no hydrogen 2.913 N/A ARG 10.A NH2 GLU 157.A OE1 no hydrogen 3.071 N/A ARG 10.A NH2 ASN 476.A O no hydrogen 3.188 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 2.720 N/A ASN 11.A ND2 ASN 476.A OD1 no hydrogen 3.286 N/A GLY 12.A N ASP 9.A O no hydrogen 3.115 N/A VAL 13.A N ASP 9.A OD1 no hydrogen 2.716 N/A ILE 15.A N ILE 7.A O no hydrogen 2.792 N/A ALA 16.A N ILE 7.A O no hydrogen 3.137 N/A GLU 17.A N SER 69.A O no hydrogen 2.962 N/A ALA 19.A N ASN 67.A O no hydrogen 2.739 N/A THR 20.A OG1 ASP 18.A OD2 no hydrogen 2.876 N/A SER 21.A N SER 65.A O no hydrogen 3.152 N/A TYR 22.A N ILE 58.A O no hydrogen 2.729 N/A VAL 24.A N GLY 55.A O no hydrogen 2.937 N/A ALA 26.A N VAL 49.A O no hydrogen 2.556 N/A GLU 31.A N LYS 28.A O no hydrogen 3.021 N/A VAL 32.A N LYS 28.A O no hydrogen 2.992 N/A PHE 33.A N VAL 29.A O no hydrogen 2.954 N/A HIS 34.A N GLU 31.A O no hydrogen 2.682 N/A HIS 34.A ND1 MET 39.A O no hydrogen 3.077 N/A LYS 35.A N VAL 32.A O no hydrogen 2.989 N/A TYR 36.A N VAL 32.A O no hydrogen 2.987 N/A MET 39.A N PHE 33.A O no hydrogen 3.187 N/A TYR 43.A N GLU 40.A O no hydrogen 2.686 N/A VAL 44.A N GLU 40.A O no hydrogen 3.259 N/A ARG 45.A N GLU 41.A O no hydrogen 2.990 N/A GLU 46.A N SER 42.A O no hydrogen 3.435 N/A GLN 47.A N TYR 43.A O no hydrogen 3.334 N/A LEU 48.A N ARG 45.A O no hydrogen 3.086 N/A ASN 56.A N ALA 53.A O no hydrogen 2.525 N/A ILE 58.A N TYR 22.A O no hydrogen 2.819 N/A MET 63.A N THR 59.A O no hydrogen 3.171 N/A ARG 68.A NE GLU 102.A OE1 no hydrogen 3.542 N/A ARG 68.A NH1 GLY 5.A O no hydrogen 3.177 N/A ARG 68.A NH2 GLY 5.A O no hydrogen 3.139 N/A ARG 68.A NH2 GLU 102.A OE2 no hydrogen 2.815 N/A SER 69.A N GLU 17.A O no hydrogen 2.803 N/A TYR 70.A N ASP 170.A OD1 no hydrogen 3.106 N/A TYR 70.A OH GLU 102.A OE1 no hydrogen 3.022 N/A ASN 72.A ND2 PRO 14.A O no hydrogen 3.423 N/A GLY 73.A N TYR 70.A O no hydrogen 3.121 N/A GLN 74.A NE2 GLU 131.A OE1 no hydrogen 3.054 N/A GLN 74.A NE2 ASP 135.A OD1 no hydrogen 2.914 N/A GLN 74.A NE2 ASP 135.A OD2 no hydrogen 3.461 N/A PHE 75.A N SER 77.A OG no hydrogen 3.325 N/A ALA 76.A N GLU 131.A OE2 no hydrogen 3.012 N/A SER 77.A OG PHE 167.A O no hydrogen 2.519 N/A SER 78.A OG GLN 163.A OE1 no hydrogen 3.483 N/A SER 78.A OG ASP 183.A OD2 no hydrogen 2.923 N/A ILE 80.A N ALA 76.A O no hydrogen 2.893 N/A GLY 81.A N SER 77.A O no hydrogen 2.924 N/A LEU 82.A N SER 99.A OG no hydrogen 3.390 N/A ALA 83.A N TYR 70.A OH no hydrogen 2.703 N/A GLN 84.A N LEU 96.A O no hydrogen 2.761 N/A HIS 86.A N SER 94.A O no hydrogen 2.623 N/A ASN 88.A N SER 92.A O no hydrogen 2.981 N/A ASN 88.A ND2 SER 92.A O no hydrogen 2.925 N/A ASN 88.A ND2 SER 92.A OG no hydrogen 3.152 N/A GLY 91.A N ASN 88.A O no hydrogen 2.951 N/A SER 92.A N ASP 90.A OD1 no hydrogen 2.806 N/A SER 92.A OG ASP 90.A OD1 no hydrogen 2.618 N/A LYS 93.A NZ SER 65.A OG no hydrogen 3.212 N/A SER 94.A N HIS 86.A O no hydrogen 3.108 N/A SER 94.A OG HIS 86.A O no hydrogen 3.285 N/A SER 94.A OG ASN 88.A OD1 no hydrogen 3.287 N/A LEU 96.A N GLN 84.A O no hydrogen 2.736 N/A GLY 97.A N ASN 106.A OD1 no hydrogen 3.079 N/A THR 98.A N LEU 82.A O no hydrogen 3.020 N/A THR 98.A OG1 LEU 82.A O no hydrogen 3.404 N/A THR 98.A OG1 GLN 84.A OE1 no hydrogen 3.250 N/A MET 101.A N PHE 79.A O no hydrogen 3.084 N/A GLU 102.A N ILE 80.A O no hydrogen 3.003 N/A SER 103.A N SER 99.A O no hydrogen 3.149 N/A SER 103.A N GLY 100.A O no hydrogen 3.192 N/A SER 104.A N GLY 100.A O no hydrogen 2.932 N/A SER 104.A OG GLY 100.A O no hydrogen 3.503 N/A SER 104.A OG THR 287.A OG1 no hydrogen 2.991 N/A LEU 105.A N MET 101.A O no hydrogen 2.732 N/A ASN 106.A N SER 103.A O no hydrogen 2.932 N/A LEU 109.A N LEU 105.A O no hydrogen 2.972 N/A ALA 110.A N ASN 106.A O no hydrogen 2.790 N/A ASP 114.A N ASN 344.A OD1 no hydrogen 3.451 N/A GLY 115.A N LYS 3.A O no hydrogen 2.798 N/A LYS 116.A N ILE 108.A O no hydrogen 3.100 N/A ASP 117.A N TYR 341.A O no hydrogen 2.837 N/A VAL 118.A N THR 6.A O no hydrogen 2.810 N/A TYR 119.A N ALA 339.A O no hydrogen 2.856 N/A THR 120.A N TYR 8.A O no hydrogen 2.712 N/A THR 120.A OG1 TYR 8.A O no hydrogen 2.867 N/A THR 121.A N PHE 336.A O no hydrogen 2.814 N/A THR 121.A OG1 ILE 158.A O no hydrogen 2.720 N/A THR 121.A OG1 LYS 335.A O no hydrogen 3.160 N/A ILE 122.A N THR 120.A OG1 no hydrogen 3.359 N/A SER 123.A N LEU 159.A O no hydrogen 2.905 N/A SER 124.A N ASP 9.A OD2 no hydrogen 3.100 N/A GLN 127.A N SER 123.A O no hydrogen 2.738 N/A GLN 127.A NE2 GLN 127.A O no hydrogen 3.521 N/A GLN 127.A NE2 GLU 131.A OE2 no hydrogen 2.913 N/A GLN 127.A NE2 THR 161.A O no hydrogen 2.837 N/A SER 128.A N SER 124.A O no hydrogen 2.765 N/A PHE 129.A N PRO 125.A O no hydrogen 3.283 N/A MET 130.A N LEU 126.A O no hydrogen 2.731 N/A GLU 131.A N GLN 127.A O no hydrogen 3.052 N/A THR 132.A OG1 PHE 129.A O no hydrogen 3.009 N/A GLN 133.A N PHE 129.A O no hydrogen 3.109 N/A GLN 133.A NE2 GLU 459.A O no hydrogen 3.062 N/A GLN 133.A NE2 PHE 460.A O no hydrogen 2.945 N/A MET 134.A N MET 130.A O no hydrogen 2.782 N/A ASP 135.A N GLU 131.A O no hydrogen 2.883 N/A ALA 136.A N THR 132.A O no hydrogen 3.045 N/A PHE 137.A N GLN 133.A O no hydrogen 2.840 N/A GLN 138.A N MET 134.A O no hydrogen 2.599 N/A GLN 138.A NE2 GLY 143.A O no hydrogen 3.474 N/A GLU 139.A N ASP 135.A O no hydrogen 2.914 N/A LYS 140.A N ALA 136.A O no hydrogen 3.281 N/A LYS 140.A N PHE 137.A O no hydrogen 3.151 N/A LYS 140.A NZ GLU 459.A OE1 no hydrogen 3.106 N/A VAL 141.A N PHE 137.A O no hydrogen 3.090 N/A LYS 142.A N GLN 138.A O no hydrogen 2.879 N/A GLY 143.A N GLN 138.A OE1 no hydrogen 2.995 N/A LYS 144.A N GLN 447.A O no hydrogen 2.970 N/A MET 146.A N ARG 164.A O no hydrogen 3.034 N/A THR 147.A N THR 445.A O no hydrogen 2.837 N/A THR 147.A OG1 GLN 315.A OE1 no hydrogen 3.148 N/A THR 147.A OG1 THR 445.A OG1 no hydrogen 3.071 N/A ALA 148.A N THR 162.A O no hydrogen 3.137 N/A THR 149.A N TYR 443.A O no hydrogen 3.022 N/A THR 149.A OG1 THR 161.A OG1 no hydrogen 2.874 N/A LEU 150.A N ALA 160.A O no hydrogen 2.703 N/A VAL 151.A N ILE 441.A O no hydrogen 2.727 N/A SER 152.A N GLU 157.A O no hydrogen 2.760 N/A SER 152.A OG THR 155.A OG1 no hydrogen 3.110 N/A ALA 153.A N ASP 439.A O no hydrogen 2.867 N/A LYS 154.A NZ ASN 437.A OD1 no hydrogen 3.503 N/A THR 155.A N SER 152.A O no hydrogen 3.124 N/A THR 155.A OG1 SER 152.A OG no hydrogen 3.110 N/A GLY 156.A N SER 152.A O no hydrogen 2.738 N/A GLU 157.A N THR 155.A OG1 no hydrogen 3.155 N/A ILE 158.A N LYS 335.A O no hydrogen 2.878 N/A LEU 159.A N LEU 150.A O no hydrogen 2.903 N/A ALA 160.A N LEU 150.A O no hydrogen 3.375 N/A THR 161.A N GLN 127.A OE1 no hydrogen 2.733 N/A THR 161.A OG1 THR 149.A OG1 no hydrogen 2.874 N/A THR 162.A N ALA 148.A O no hydrogen 3.071 N/A THR 162.A OG1 GLU 131.A OE1 no hydrogen 3.097 N/A THR 162.A OG1 GLU 131.A OE2 no hydrogen 2.643 N/A GLN 163.A NE2 PRO 165.A O no hydrogen 3.460 N/A ARG 164.A N MET 146.A O no hydrogen 2.983 N/A ARG 164.A NE ASP 135.A OD1 no hydrogen 3.319 N/A ARG 164.A NH1 THR 162.A OG1 no hydrogen 2.829 N/A ARG 164.A NH1 GLN 163.A O no hydrogen 2.637 N/A ARG 164.A NH2 GLU 131.A OE1 no hydrogen 2.981 N/A ARG 164.A NH2 ASP 135.A OD1 no hydrogen 2.775 N/A THR 166.A OG1 PHE 167.A O no hydrogen 3.455 N/A PHE 167.A N THR 166.A OG1 no hydrogen 2.626 N/A ASP 168.A N GLU 173.A O no hydrogen 2.888 N/A ALA 169.A N GLY 73.A O no hydrogen 3.230 N/A ASP 170.A N ASP 168.A OD1 no hydrogen 2.836 N/A THR 171.A N ASP 168.A OD1 no hydrogen 2.980 N/A LYS 172.A NZ ALA 169.A O no hydrogen 2.937 N/A GLU 173.A N THR 171.A OG1 no hydrogen 3.389 N/A THR 176.A N GLY 174.A O no hydrogen 2.882 N/A ASP 178.A N THR 176.A OG1 no hydrogen 3.352 N/A ARG 182.A NE GLN 187.A O no hydrogen 3.198 N/A ARG 182.A NH2 TYR 290.A OH no hydrogen 3.247 N/A ASP 183.A N GLN 187.A OE1 no hydrogen 2.711 N/A ILE 184.A N GLN 163.A OE1 no hydrogen 2.805 N/A LEU 185.A N ASP 183.A OD1 no hydrogen 2.769 N/A TYR 186.A N ASP 183.A O no hydrogen 3.432 N/A GLN 187.A N ASP 183.A O no hydrogen 2.794 N/A GLN 187.A NE2 THR 287.A O no hydrogen 3.497 N/A GLN 187.A NE2 ASP 288.A O no hydrogen 2.879 N/A TYR 190.A N VAL 313.A O no hydrogen 2.928 N/A TYR 190.A OH TYR 443.A OH no hydrogen 2.880 N/A GLY 193.A N GLY 308.A O no hydrogen 2.884 N/A SER 194.A N THR 407.A O no hydrogen 3.327 N/A SER 194.A OG SER 405.A O no hydrogen 3.524 N/A PHE 196.A N GLY 193.A O no hydrogen 3.058 N/A LYS 197.A N SER 194.A O no hydrogen 2.985 N/A LYS 197.A NZ SER 252.A O no hydrogen 2.810 N/A LYS 197.A NZ SER 252.A OG no hydrogen 2.658 N/A LYS 197.A NZ ASN 254.A OD1 no hydrogen 2.920 N/A VAL 198.A N ALA 195.A O no hydrogen 3.250 N/A MET 199.A N PHE 196.A O no hydrogen 2.982 N/A LEU 201.A N LYS 197.A O no hydrogen 2.889 N/A ALA 202.A N VAL 198.A O no hydrogen 2.904 N/A ALA 203.A N MET 199.A O no hydrogen 3.026 N/A ALA 204.A N MET 200.A O no hydrogen 2.853 N/A ILE 205.A N LEU 201.A O no hydrogen 2.959 N/A ASP 206.A N ALA 202.A O no hydrogen 3.007 N/A ASN 207.A N ALA 203.A O no hydrogen 2.896 N/A ASN 207.A ND2 THR 209.A OG1 no hydrogen 2.885 N/A ASN 208.A N ILE 205.A O no hydrogen 2.812 N/A THR 209.A N ALA 204.A O no hydrogen 2.831 N/A THR 209.A OG1 ALA 204.A O no hydrogen 3.357 N/A GLU 214.A N PRO 211.A O no hydrogen 2.745 N/A PHE 216.A N MET 243.A O no hydrogen 2.774 N/A SER 218.A N ARG 241.A O no hydrogen 2.773 N/A SER 218.A OG ARG 241.A O no hydrogen 3.396 N/A SER 219.A N ASN 217.A OD1 no hydrogen 2.856 N/A SER 219.A OG ASN 217.A OD1 no hydrogen 2.530 N/A LEU 221.A N ILE 228.A O no hydrogen 2.845 N/A LYS 222.A NZ GLU 220.A OE1 no hydrogen 2.722 N/A LYS 222.A NZ THR 227.A OG1 no hydrogen 2.643 N/A ILE 223.A N ALA 226.A O no hydrogen 2.979 N/A ALA 226.A N ILE 223.A O no hydrogen 2.951 N/A ILE 228.A N LEU 221.A O no hydrogen 2.995 N/A ARG 229.A NE GLU 220.A OE2 no hydrogen 2.609 N/A ARG 229.A NH2 GLU 220.A OE2 no hydrogen 3.306 N/A ASP 232.A N GLY 236.A O no hydrogen 2.845 N/A ASN 234.A N ASP 232.A OD2 no hydrogen 2.865 N/A GLU 235.A N ASP 232.A OD2 no hydrogen 3.106 N/A GLY 236.A N ASP 232.A O no hydrogen 2.917 N/A THR 238.A N ASP 230.A O no hydrogen 3.259 N/A ARG 241.A N SER 218.A OG no hydrogen 2.965 N/A MET 243.A N PHE 216.A O no hydrogen 3.175 N/A THR 244.A N GLN 247.A OE1 no hydrogen 3.043 N/A THR 244.A OG1 GLY 212.A O no hydrogen 3.555 N/A PHE 245.A N GLU 214.A O no hydrogen 2.888 N/A SER 246.A N GLY 212.A O no hydrogen 2.958 N/A SER 246.A OG ASN 371.A OD1 no hydrogen 2.682 N/A GLN 247.A N THR 244.A OG1 no hydrogen 3.009 N/A GLY 248.A N THR 244.A O no hydrogen 2.961 N/A PHE 249.A N PHE 245.A O no hydrogen 3.237 N/A ALA 250.A N SER 246.A O no hydrogen 3.432 N/A HIS 251.A N GLN 247.A O no hydrogen 2.828 N/A SER 252.A N PHE 249.A O no hydrogen 3.118 N/A SER 253.A N GLY 248.A O no hydrogen 2.804 N/A SER 253.A OG ASP 230.A OD1 no hydrogen 3.323 N/A SER 253.A OG ASP 230.A OD2 no hydrogen 2.670 N/A ASN 254.A ND2 ARG 229.A O no hydrogen 2.994 N/A VAL 255.A N ASP 230.A OD1 no hydrogen 2.793 N/A GLY 256.A N SER 253.A OG no hydrogen 3.012 N/A MET 257.A N SER 253.A O no hydrogen 3.534 N/A THR 258.A N ASN 254.A O no hydrogen 2.964 N/A THR 258.A OG1 ASN 254.A O no hydrogen 2.681 N/A LEU 259.A N VAL 255.A O no hydrogen 2.747 N/A LEU 260.A N GLY 256.A O no hydrogen 2.946 N/A GLU 261.A N MET 257.A O no hydrogen 2.952 N/A GLN 262.A N THR 258.A O no hydrogen 2.899 N/A GLN 262.A NE2 GLU 261.A OE1 no hydrogen 2.797 N/A LYS 263.A N LEU 259.A O no hydrogen 2.978 N/A LYS 263.A NZ GLU 214.A OE2 no hydrogen 3.023 N/A MET 264.A N LEU 260.A O no hydrogen 3.087 N/A GLY 265.A N GLU 261.A O no hydrogen 2.734 N/A TRP 269.A N GLY 265.A O no hydrogen 3.130 N/A TRP 269.A NE1 SER 305.A OG no hydrogen 2.854 N/A LEU 270.A N ASP 266.A O no hydrogen 2.861 N/A ASP 271.A N ALA 267.A O no hydrogen 2.988 N/A TYR 272.A N THR 268.A O no hydrogen 3.069 N/A TYR 272.A OH ASP 206.A OD2 no hydrogen 2.563 N/A LEU 273.A N TRP 269.A O no hydrogen 2.906 N/A ASN 274.A N LEU 270.A O no hydrogen 2.975 N/A ARG 275.A N ASP 271.A O no hydrogen 2.854 N/A ARG 275.A NE PRO 359.A O no hydrogen 2.785 N/A ARG 275.A NH2 ASN 358.A O no hydrogen 2.818 N/A ARG 275.A NH2 PRO 359.A O no hydrogen 3.302 N/A PHE 276.A N TYR 272.A O no hydrogen 2.944 N/A LYS 277.A N ASN 274.A O no hydrogen 2.833 N/A LYS 277.A NZ VAL 356.A O no hydrogen 2.919 N/A PHE 278.A N LEU 273.A O no hydrogen 3.133 N/A THR 282.A OG1 GLU 289.A OE1 no hydrogen 3.340 N/A THR 282.A OG1 GLU 289.A OE2 no hydrogen 2.760 N/A ARG 283.A N GLU 289.A OE1 no hydrogen 2.782 N/A PHE 284.A N THR 282.A OG1 no hydrogen 3.298 N/A THR 287.A N SER 104.A OG no hydrogen 2.914 N/A THR 287.A OG1 SER 104.A OG no hydrogen 2.991 N/A TYR 290.A N TYR 186.A O no hydrogen 2.826 N/A GLY 292.A N ASN 189.A OD1 no hydrogen 2.837 N/A GLN 293.A N SER 312.A O no hydrogen 2.818 N/A ASN 298.A N ALA 296.A O no hydrogen 2.969 N/A ASN 298.A ND2 ASN 301.A OD1 no hydrogen 2.616 N/A VAL 300.A N ASN 298.A OD1 no hydrogen 2.963 N/A ASN 301.A N ASN 298.A OD1 no hydrogen 2.885 N/A ASN 301.A ND2 GLN 304.A OE1 no hydrogen 3.030 N/A ILE 302.A N ASN 298.A O no hydrogen 3.303 N/A GLN 304.A N VAL 300.A O no hydrogen 2.847 N/A SER 305.A N ASN 301.A O no hydrogen 3.104 N/A SER 305.A OG ILE 302.A O no hydrogen 2.480 N/A SER 306.A N ALA 303.A O no hydrogen 3.080 N/A SER 306.A OG ALA 303.A O no hydrogen 2.785 N/A PHE 307.A N GLN 304.A O no hydrogen 3.020 N/A GLY 308.A N SER 305.A O no hydrogen 3.177 N/A GLN 309.A N GLN 304.A O no hydrogen 3.191 N/A GLN 309.A NE2 GLU 191.A OE1 no hydrogen 2.677 N/A GLN 309.A NE2 GLN 409.A O no hydrogen 3.462 N/A GLY 310.A N GLU 191.A OE1 no hydrogen 2.895 N/A SER 312.A N GLN 293.A O no hydrogen 2.882 N/A VAL 313.A N TYR 190.A O no hydrogen 2.785 N/A THR 314.A N GLN 317.A OE1 no hydrogen 2.902 N/A THR 314.A OG1 THR 316.A OG1 no hydrogen 3.295 N/A THR 316.A N LEU 185.A O no hydrogen 3.183 N/A THR 316.A OG1 GLU 289.A OE2 no hydrogen 2.826 N/A THR 316.A OG1 THR 314.A OG1 no hydrogen 3.295 N/A GLN 317.A N THR 314.A O no hydrogen 3.199 N/A GLN 317.A N THR 314.A OG1 no hydrogen 3.210 N/A GLN 317.A NE2 VAL 280.A O no hydrogen 2.808 N/A GLN 317.A NE2 ALA 291.A O no hydrogen 2.814 N/A MET 318.A N THR 314.A O no hydrogen 3.223 N/A ILE 319.A N GLN 315.A O no hydrogen 2.945 N/A ARG 320.A N THR 316.A O no hydrogen 2.877 N/A ARG 320.A NH2 VAL 280.A O no hydrogen 3.100 N/A ALA 321.A N GLN 317.A O no hydrogen 2.956 N/A PHE 322.A N MET 318.A O no hydrogen 2.799 N/A THR 323.A N ILE 319.A O no hydrogen 3.109 N/A THR 323.A N ARG 320.A O no hydrogen 3.207 N/A THR 323.A OG1 ARG 320.A O no hydrogen 2.689 N/A THR 323.A OG1 LEU 332.A O no hydrogen 3.512 N/A ALA 324.A N ALA 321.A O no hydrogen 3.273 N/A ALA 326.A N PHE 322.A O no hydrogen 2.960 N/A ASN 327.A N ALA 324.A O no hydrogen 3.265 N/A ASN 327.A ND2 VAL 330.A O no hydrogen 3.117 N/A GLY 329.A N ALA 324.A O no hydrogen 2.664 N/A VAL 330.A N ASN 327.A O no hydrogen 2.944 N/A MET 331.A N GLY 357.A O no hydrogen 2.830 N/A LEU 332.A N THR 323.A OG1 no hydrogen 2.759 N/A GLU 333.A N GLU 354.A O no hydrogen 3.019 N/A LYS 335.A N GLY 156.A O no hydrogen 2.659 N/A LYS 335.A NZ SER 351.A OG no hydrogen 3.218 N/A LYS 335.A NZ GLN 352.A O no hydrogen 3.222 N/A SER 338.A N TYR 119.A O no hydrogen 2.727 N/A ALA 339.A N TYR 119.A O no hydrogen 3.128 N/A ILE 340.A N ARG 349.A O no hydrogen 2.973 N/A TYR 341.A N ASP 117.A O no hydrogen 2.856 N/A ASP 342.A N THR 347.A O no hydrogen 2.937 N/A ASN 344.A N ASP 342.A OD1 no hydrogen 3.051 N/A ASN 344.A ND2 ASP 114.A O no hydrogen 2.696 N/A ASN 344.A ND2 ASP 342.A OD1 no hydrogen 3.504 N/A ASP 345.A N ASP 342.A O no hydrogen 3.419 N/A THR 347.A N ASP 342.A O no hydrogen 3.306 N/A THR 347.A OG1 ASP 345.A OD1 no hydrogen 2.797 N/A THR 347.A OG1 ASP 345.A OD2 no hydrogen 2.944 N/A THR 347.A OG1 SER 491.A OG no hydrogen 2.975 N/A ALA 348.A N GLN 489.A O no hydrogen 2.914 N/A ARG 349.A N ILE 340.A O no hydrogen 2.876 N/A ARG 349.A NE ASN 513.A O no hydrogen 2.821 N/A ARG 349.A NH1 SER 491.A O no hydrogen 2.932 N/A ARG 349.A NH1 LEU 537.A O no hydrogen 3.130 N/A ARG 349.A NH2 ASN 513.A O no hydrogen 2.905 N/A ARG 349.A NH2 LEU 537.A O no hydrogen 2.966 N/A LYS 350.A NZ LEU 484.A O no hydrogen 2.890 N/A LYS 350.A NZ VAL 487.A O no hydrogen 3.464 N/A SER 351.A N SER 338.A O no hydrogen 2.989 N/A GLN 352.A N ASN 540.A OD1 no hydrogen 2.843 N/A VAL 356.A N MET 331.A O no hydrogen 2.831 N/A ASN 358.A N ASP 555.A OD2 no hydrogen 2.812 N/A ASN 358.A ND2 GLY 329.A O no hydrogen 2.779 N/A SER 361.A N ASP 206.A OD1 no hydrogen 2.791 N/A LYS 362.A NZ ASP 328.A OD1 no hydrogen 3.378 N/A ALA 364.A N SER 361.A OG no hydrogen 3.000 N/A ALA 365.A N SER 361.A O no hydrogen 3.038 N/A SER 366.A N LYS 362.A O no hydrogen 2.844 N/A LEU 367.A N ASP 363.A O no hydrogen 2.840 N/A THR 368.A N ALA 364.A O no hydrogen 2.980 N/A THR 368.A OG1 ALA 364.A O no hydrogen 2.639 N/A ARG 369.A N ALA 365.A O no hydrogen 2.928 N/A ARG 369.A NE ILE 325.A O no hydrogen 2.883 N/A ARG 369.A NH1 ALA 435.A O no hydrogen 3.462 N/A THR 370.A N SER 366.A O no hydrogen 3.073 N/A THR 370.A OG1 SER 366.A O no hydrogen 3.136 N/A ASN 371.A N LEU 367.A O no hydrogen 3.041 N/A ASN 371.A ND2 LEU 367.A O no hydrogen 3.077 N/A MET 372.A N THR 368.A O no hydrogen 2.927 N/A VAL 373.A N ARG 369.A O no hydrogen 3.098 N/A VAL 373.A N THR 370.A O no hydrogen 3.058 N/A VAL 375.A N MET 372.A O no hydrogen 3.150 N/A GLY 376.A N VAL 373.A O no hydrogen 3.010 N/A THR 377.A N VAL 373.A O no hydrogen 3.072 N/A THR 377.A N LEU 374.A O no hydrogen 3.235 N/A THR 377.A OG1 VAL 373.A O no hydrogen 3.059 N/A ASP 378.A N LEU 374.A O no hydrogen 2.961 N/A VAL 380.A N ASP 378.A OD1 no hydrogen 2.924 N/A TYR 381.A N ASP 378.A OD1 no hydrogen 2.830 N/A GLY 382.A N ASP 378.A O no hydrogen 2.927 N/A THR 383.A N ALA 250.A O no hydrogen 3.100 N/A THR 383.A OG1 SER 405.A OG no hydrogen 2.826 N/A MET 384.A N VAL 375.A O no hydrogen 2.918 N/A TYR 385.A N GLY 382.A O no hydrogen 3.224 N/A ASN 386.A N LYS 391.A O no hydrogen 2.983 N/A SER 388.A N ASN 386.A OD1 no hydrogen 2.740 N/A THR 389.A N ASN 386.A OD1 no hydrogen 3.174 N/A THR 389.A OG1 ASN 386.A O no hydrogen 3.513 N/A GLY 390.A N ASN 386.A O no hydrogen 2.633 N/A LYS 391.A N THR 389.A OG1 no hydrogen 3.301 N/A THR 393.A N MET 384.A O no hydrogen 2.852 N/A THR 393.A OG1 MET 384.A O no hydrogen 3.409 N/A THR 395.A N ASN 462.A OD1 no hydrogen 2.882 N/A GLN 399.A N VAL 396.A O no hydrogen 3.300 N/A ASN 400.A ND2 GLU 436.A OE2 no hydrogen 2.706 N/A ALA 402.A N MET 432.A O no hydrogen 2.957 N/A LEU 403.A N MET 372.A O no hydrogen 2.972 N/A LYS 404.A N VAL 430.A O no hydrogen 3.238 N/A LYS 404.A NZ SER 194.A O no hydrogen 3.523 N/A LYS 404.A NZ SER 252.A OG no hydrogen 3.356 N/A LYS 404.A NZ SER 405.A O no hydrogen 2.917 N/A SER 405.A OG THR 383.A OG1 no hydrogen 2.826 N/A GLY 406.A N SER 428.A O no hydrogen 2.637 N/A THR 407.A N SER 194.A OG no hydrogen 2.929 N/A ALA 408.A N ILE 426.A O no hydrogen 2.901 N/A GLN 409.A N GLN 309.A OE1 no hydrogen 2.803 N/A ASP 412.A N GLY 417.A O no hydrogen 2.888 N/A ASN 415.A N ASP 412.A OD1 no hydrogen 3.135 N/A TYR 418.A OH GLU 191.A OE1 no hydrogen 2.897 N/A LEU 419.A N ILE 410.A O no hydrogen 2.758 N/A ASP 424.A N GLY 421.A O no hydrogen 3.108 N/A TYR 425.A N THR 423.A O no hydrogen 2.690 N/A ILE 426.A N ALA 408.A O no hydrogen 2.948 N/A PHE 427.A N VAL 446.A O no hydrogen 2.779 N/A SER 428.A N GLY 406.A O no hydrogen 2.831 N/A ALA 429.A N VAL 444.A O no hydrogen 2.954 N/A VAL 430.A N LYS 404.A O no hydrogen 3.097 N/A SER 431.A N LEU 442.A O no hydrogen 2.864 N/A MET 432.A N ALA 402.A O no hydrogen 2.931 N/A SER 433.A N PHE 440.A O no hydrogen 3.128 N/A ALA 435.A N ASN 400.A O no hydrogen 2.798 N/A ASP 439.A N SER 433.A O no hydrogen 2.756 N/A PHE 440.A N SER 433.A O no hydrogen 3.035 N/A ILE 441.A N VAL 151.A O no hydrogen 2.851 N/A LEU 442.A N SER 431.A O no hydrogen 2.905 N/A TYR 443.A N THR 149.A O no hydrogen 3.014 N/A TYR 443.A OH TYR 190.A OH no hydrogen 2.880 N/A VAL 444.A N ALA 429.A O no hydrogen 2.824 N/A THR 445.A N THR 147.A O no hydrogen 2.807 N/A VAL 446.A N PHE 427.A O no hydrogen 2.739 N/A GLN 447.A N TYR 145.A O no hydrogen 2.903 N/A GLN 447.A NE2 GLN 448.A OE1 no hydrogen 2.844 N/A GLN 448.A N TYR 425.A O no hydrogen 2.900 N/A GLN 448.A NE2 ASP 424.A OD1 no hydrogen 3.011 N/A GLU 450.A N VAL 141.A O no hydrogen 2.675 N/A HIS 451.A N VAL 141.A O no hydrogen 3.246 N/A SER 453.A OG GLN 456.A OE1 no hydrogen 2.497 N/A ILE 455.A N SER 453.A OG no hydrogen 3.279 N/A LEU 457.A N SER 453.A O no hydrogen 3.177 N/A GLY 458.A N GLY 454.A O no hydrogen 2.969 N/A GLU 459.A N ILE 455.A O no hydrogen 3.004 N/A PHE 460.A N GLN 456.A O no hydrogen 3.157 N/A PHE 460.A N LEU 457.A O no hydrogen 3.300 N/A ALA 461.A N LEU 457.A O no hydrogen 2.895 N/A ASN 462.A N GLY 458.A O no hydrogen 2.849 N/A ASN 462.A ND2 THR 393.A O no hydrogen 3.237 N/A LEU 465.A N ALA 461.A O no hydrogen 2.897 N/A GLU 466.A N ASN 462.A O no hydrogen 2.991 N/A ARG 467.A N PRO 463.A O no hydrogen 3.143 N/A ALA 468.A N ILE 464.A O no hydrogen 2.884 N/A SER 469.A N LEU 465.A O no hydrogen 2.866 N/A SER 469.A OG LEU 465.A O no hydrogen 3.007 N/A ALA 470.A N GLU 466.A O no hydrogen 2.893 N/A MET 471.A N ARG 467.A O no hydrogen 3.095 N/A LYS 472.A N SER 469.A O no hydrogen 3.081 N/A LYS 472.A NZ ASP 439.A OD2 no hydrogen 3.533 N/A LEU 475.A N LYS 472.A O no hydrogen 3.021 N/A ASN 476.A N ASP 473.A O no hydrogen 2.950 N/A LYS 482.A NZ GLU 485.A OE1 no hydrogen 2.675 N/A LYS 482.A NZ GLU 485.A OE2 no hydrogen 3.087 N/A GLU 485.A N LYS 482.A O no hydrogen 3.361 N/A VAL 487.A N LEU 484.A O no hydrogen 3.105 N/A SER 491.A N ALA 348.A O no hydrogen 3.246 N/A SER 491.A OG THR 347.A OG1 no hydrogen 2.975 N/A TYR 493.A N ASN 536.A OD1 no hydrogen 2.729 N/A MET 495.A N LYS 535.A O no hydrogen 2.890 N/A SER 497.A OG GLU 533.A OE1 no hydrogen 3.354 N/A LYS 499.A N SER 497.A OG no hydrogen 3.182 N/A SER 502.A OG ASP 505.A OD2 no hydrogen 2.620 N/A ASP 505.A N SER 502.A OG no hydrogen 3.304 N/A LEU 506.A N SER 502.A O no hydrogen 3.098 N/A ALA 507.A N PRO 503.A O no hydrogen 2.959 N/A GLU 508.A N GLY 504.A O no hydrogen 3.165 N/A GLU 509.A N ASP 505.A O no hydrogen 3.074 N/A LEU 510.A N LEU 506.A O no hydrogen 2.823 N/A ARG 511.A N ALA 507.A O no hydrogen 3.013 N/A ARG 511.A NE GLU 354.A OE1 no hydrogen 2.961 N/A ARG 511.A NE GLU 354.A OE2 no hydrogen 3.058 N/A ARG 511.A NH1 ARG 283.A O no hydrogen 2.778 N/A ARG 511.A NH2 GLU 354.A OE2 no hydrogen 2.820 N/A ARG 512.A N GLU 508.A O no hydrogen 3.102 N/A ARG 512.A N GLU 509.A O no hydrogen 3.093 N/A ARG 512.A NE GLU 509.A OE1 no hydrogen 3.229 N/A ARG 512.A NH1 GLY 285.A O no hydrogen 2.673 N/A ARG 512.A NH2 GLU 509.A OE1 no hydrogen 3.047 N/A ASN 513.A N LEU 510.A O no hydrogen 3.049 N/A ASN 513.A ND2 GLU 509.A O no hydrogen 3.087 N/A LEU 514.A N ARG 511.A O no hydrogen 3.154 N/A VAL 515.A N LEU 510.A O no hydrogen 2.890 N/A GLN 516.A N GLN 541.A O no hydrogen 2.858 N/A GLN 516.A NE2 GLN 352.A O no hydrogen 3.291 N/A GLN 516.A NE2 LYS 353.A O no hydrogen 3.095 N/A ILE 518.A N VAL 543.A O no hydrogen 2.978 N/A VAL 520.A N ILE 545.A O no hydrogen 2.861 N/A THR 522.A N LYS 549.A O no hydrogen 2.699 N/A GLY 523.A N SER 547.A OG no hydrogen 2.958 N/A LYS 525.A N ASP 548.A OD1 no hydrogen 2.743 N/A LYS 527.A N LEU 546.A O no hydrogen 2.609 N/A ASN 528.A N LEU 546.A O no hydrogen 3.217 N/A SER 529.A N ASN 528.A OD1 no hydrogen 2.590 N/A SER 529.A OG ALA 531.A O no hydrogen 2.552 N/A SER 530.A N LEU 544.A O no hydrogen 2.977 N/A GLY 534.A N MET 495.A O no hydrogen 2.938 N/A LYS 535.A N GLU 532.A O no hydrogen 2.844 N/A LEU 537.A N TYR 493.A O no hydrogen 2.735 N/A ALA 538.A N GLN 541.A OE1 no hydrogen 2.883 N/A ASN 540.A N LEU 514.A O no hydrogen 2.615 N/A ASN 540.A ND2 LYS 350.A O no hydrogen 2.746 N/A GLN 541.A N ALA 538.A O no hydrogen 3.128 N/A GLN 542.A NE2 GLY 558.A O no hydrogen 2.932 N/A VAL 543.A N GLN 516.A O no hydrogen 2.994 N/A LEU 544.A N SER 530.A OG no hydrogen 2.953 N/A ILE 545.A N ILE 518.A O no hydrogen 3.140 N/A LEU 546.A N ASN 528.A O no hydrogen 2.890 N/A SER 547.A N VAL 520.A O no hydrogen 3.015 N/A SER 547.A OG VAL 520.A O no hydrogen 2.809 N/A ASP 548.A N LYS 525.A O no hydrogen 2.783 N/A LYS 549.A N SER 547.A OG no hydrogen 3.384 N/A VAL 553.A N THR 593.A O no hydrogen 2.732 N/A MET 556.A N GLN 587.A OE1 no hydrogen 2.898 N/A TYR 557.A N ASP 555.A OD1 no hydrogen 3.223 N/A GLY 558.A N VAL 584.A O no hydrogen 2.840 N/A TRP 559.A N MET 556.A O no hydrogen 3.052 N/A THR 560.A N GLN 542.A OE1 no hydrogen 3.074 N/A THR 560.A OG1 GLN 542.A OE1 no hydrogen 3.504 N/A THR 560.A OG1 GLU 562.A OE1 no hydrogen 3.419 N/A THR 560.A OG1 THR 563.A OG1 no hydrogen 3.086 N/A LYS 561.A NZ GLU 565.A OE2 no hydrogen 2.593 N/A THR 563.A N THR 560.A OG1 no hydrogen 3.020 N/A THR 563.A OG1 GLN 542.A OE1 no hydrogen 2.861 N/A THR 563.A OG1 THR 560.A OG1 no hydrogen 3.086 N/A ALA 564.A N THR 560.A O no hydrogen 3.069 N/A GLU 565.A N LYS 561.A O no hydrogen 3.039 N/A THR 566.A N GLU 562.A O no hydrogen 2.873 N/A THR 566.A OG1 GLU 562.A O no hydrogen 2.960 N/A LEU 567.A N THR 563.A O no hydrogen 3.104 N/A ALA 568.A N ALA 564.A O no hydrogen 2.945 N/A LYS 569.A N GLU 565.A O no hydrogen 3.167 N/A TRP 570.A N THR 566.A O no hydrogen 3.207 N/A LEU 571.A N LEU 567.A O no hydrogen 2.920 N/A ASN 572.A N LYS 569.A O no hydrogen 3.307 N/A ILE 573.A N ALA 568.A O no hydrogen 2.920 N/A GLU 574.A N LYS 599.A O no hydrogen 2.994 N/A GLU 576.A N ILE 601.A O no hydrogen 3.047 N/A GLN 578.A N LEU 603.A O no hydrogen 3.070 N/A GLN 578.A NE2 THR 604.A OG1 no hydrogen 3.072 N/A SER 582.A N ASP 607.A OXT no hydrogen 2.690 N/A SER 582.A OG ASP 607.A OXT no hydrogen 3.217 N/A THR 583.A N GLY 606.A O no hydrogen 3.402 N/A THR 583.A OG1 GLY 606.A O no hydrogen 3.411 N/A VAL 584.A N TRP 559.A O no hydrogen 2.756 N/A GLN 585.A N THR 604.A O no hydrogen 2.677 N/A GLN 585.A NE2 THR 583.A OG1 no hydrogen 3.287 N/A GLN 587.A NE2 PRO 554.A O no hydrogen 3.121 N/A GLN 587.A NE2 VAL 589.A O no hydrogen 2.880 N/A ASP 588.A N THR 602.A O no hydrogen 3.087 N/A ASN 592.A N VAL 553.A O no hydrogen 2.709 N/A ASN 592.A ND2 ASP 271.A OD1 no hydrogen 2.997 N/A THR 593.A N ARG 590.A O no hydrogen 3.272 N/A THR 593.A OG1 ARG 590.A O no hydrogen 2.545 N/A ILE 595.A N GLU 551.A O no hydrogen 2.940 N/A ASP 597.A N ALA 594.A O no hydrogen 2.774 N/A ILE 598.A N ILE 595.A O no hydrogen 3.325 N/A LYS 600.A NZ GLU 576.A OE1 no hydrogen 2.497 N/A ILE 601.A N GLU 574.A O no hydrogen 2.867 N/A THR 602.A N ASP 588.A OD1 no hydrogen 2.657 N/A LEU 603.A N GLU 576.A O no hydrogen 2.753 N/A THR 604.A N LYS 586.A O no hydrogen 2.850 N/A LEU 605.A N GLN 578.A O no hydrogen 3.146 N/A GLY 606.A N THR 583.A O no hydrogen 2.795 N/A