Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7q40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N THR 368.A OG1 no hydrogen 3.058 N/A VAL 4.A N SER 33.A OG no hydrogen 2.947 N/A PHE 5.A N ALA 366.A O no hydrogen 2.726 N/A VAL 6.A N SER 27.A O no hydrogen 2.930 N/A TRP 7.A N SER 364.A O no hydrogen 3.148 N/A TRP 7.A NE1 GLN 331.A O no hydrogen 2.912 N/A GLY 8.A N ILE 23.A O no hydrogen 2.673 N/A LEU 9.A N SER 362.A O no hydrogen 2.881 N/A ASN 10.A N SER 21.A O no hydrogen 2.624 N/A ASN 10.A ND2 LEU 18.A O no hydrogen 2.723 N/A ASN 10.A ND2 GLY 20.A O no hydrogen 3.095 N/A LYS 12.A N GLN 14.A OE1 no hydrogen 2.836 N/A ASP 13.A N ASN 10.A O no hydrogen 2.853 N/A GLN 14.A N GLN 14.A OE1 no hydrogen 2.554 N/A GLN 14.A NE2 ASP 11.A OD1 no hydrogen 2.987 N/A LEU 15.A N ASN 10.A OD1 no hydrogen 3.047 N/A GLY 16.A N ASP 13.A O no hydrogen 3.199 N/A ILE 23.A N GLY 8.A O no hydrogen 2.932 N/A LYS 24.A NZ LYS 22.A O no hydrogen 3.137 N/A SER 27.A N VAL 6.A O no hydrogen 2.739 N/A SER 27.A OG VAL 25.A O no hydrogen 3.028 N/A SER 29.A N VAL 4.A O no hydrogen 2.803 N/A SER 29.A OG THR 31.A OG1 no hydrogen 3.293 N/A THR 31.A OG1 GLY 16.A O no hydrogen 2.932 N/A THR 31.A OG1 SER 29.A OG no hydrogen 3.293 N/A LEU 32.A N SER 29.A OG no hydrogen 3.159 N/A SER 33.A N SER 29.A O no hydrogen 2.966 N/A SER 33.A OG SER 29.A O no hydrogen 2.558 N/A ALA 34.A N GLU 30.A O no hydrogen 3.151 N/A LEU 35.A N LEU 32.A O no hydrogen 3.152 N/A VAL 38.A N VAL 50.A O no hydrogen 2.584 N/A GLN 39.A N VAL 50.A O no hydrogen 3.191 N/A GLN 39.A NE2 VAL 93.A O no hydrogen 2.845 N/A ALA 41.A N PHE 48.A O no hydrogen 2.872 N/A GLY 43.A N SER 46.A O no hydrogen 3.161 N/A SER 44.A N GLY 99.A O no hydrogen 3.015 N/A LYS 45.A N SER 361.A OG no hydrogen 3.276 N/A LYS 45.A NZ ASP 11.A OD2 no hydrogen 2.483 N/A SER 46.A N GLY 43.A O no hydrogen 3.313 N/A LEU 47.A N CYS 59.A O no hydrogen 2.847 N/A PHE 48.A N ALA 41.A O no hydrogen 2.836 N/A ALA 49.A N TYR 57.A O no hydrogen 2.857 N/A VAL 50.A N GLN 39.A O no hydrogen 2.773 N/A THR 51.A N LYS 55.A O no hydrogen 2.893 N/A THR 51.A OG1 LYS 55.A O no hydrogen 3.366 N/A VAL 52.A N ASN 36.A O no hydrogen 2.990 N/A GLY 54.A N THR 51.A O no hydrogen 2.814 N/A LYS 55.A N THR 51.A OG1 no hydrogen 3.130 N/A LYS 55.A NZ GLU 53.A OE2 no hydrogen 3.032 N/A TYR 57.A N ALA 49.A O no hydrogen 2.831 N/A ALA 58.A N ARG 80.A O no hydrogen 2.819 N/A CYS 59.A N LEU 47.A O no hydrogen 2.983 N/A CYS 59.A SG GLN 14.A O no hydrogen 3.585 N/A GLY 60.A N VAL 76.A O no hydrogen 2.903 N/A GLU 61.A N LYS 45.A O no hydrogen 2.878 N/A ALA 62.A N GLY 74.A O no hydrogen 2.738 N/A THR 63.A OG1 GLU 61.A OE1 no hydrogen 2.454 N/A GLY 65.A N ALA 62.A O no hydrogen 3.064 N/A ARG 66.A N THR 63.A O no hydrogen 3.472 N/A ARG 66.A NE THR 63.A O no hydrogen 2.789 N/A ARG 66.A NH1 SER 44.A O no hydrogen 2.804 N/A ARG 66.A NH2 THR 63.A O no hydrogen 3.401 N/A ARG 66.A NH2 ASN 64.A OD1 no hydrogen 2.969 N/A GLY 68.A N GLY 65.A O no hydrogen 3.214 N/A GLY 70.A N ASP 131.A O no hydrogen 2.987 N/A VAL 76.A N GLY 60.A O no hydrogen 2.992 N/A ARG 80.A N ALA 58.A O no hydrogen 2.945 N/A ILE 82.A N VAL 56.A O no hydrogen 2.794 N/A LEU 85.A N ILE 82.A O no hydrogen 2.905 N/A SER 86.A N THR 83.A O no hydrogen 2.938 N/A SER 86.A OG THR 83.A O no hydrogen 3.220 N/A TYR 88.A N LEU 85.A O no hydrogen 3.029 N/A VAL 90.A N GLY 54.A O no hydrogen 2.662 N/A LYS 91.A N LEU 105.A O no hydrogen 2.688 N/A LYS 92.A N LEU 105.A O no hydrogen 3.216 N/A LYS 92.A NZ ASP 146.A OD1 no hydrogen 2.794 N/A LYS 92.A NZ ILE 147.A O no hydrogen 3.496 N/A VAL 93.A N GLN 39.A OE1 no hydrogen 2.837 N/A ALA 94.A N THR 103.A O no hydrogen 2.834 N/A GLY 98.A N HIS 96.A ND1 no hydrogen 2.856 N/A GLY 99.A N HIS 96.A O no hydrogen 2.978 N/A ARG 100.A NE GLU 116.A OE1 no hydrogen 2.845 N/A ARG 100.A NE GLU 116.A OE2 no hydrogen 3.160 N/A ARG 100.A NH1 GLU 116.A OE1 no hydrogen 3.136 N/A HIS 101.A NE2 SER 154.A OG no hydrogen 2.952 N/A ALA 102.A N TRP 114.A O no hydrogen 2.860 N/A THR 103.A N ALA 94.A O no hydrogen 3.012 N/A ALA 104.A N PHE 112.A O no hydrogen 2.837 N/A LEU 105.A N LYS 92.A O no hydrogen 2.807 N/A THR 106.A N LYS 110.A O no hydrogen 2.817 N/A THR 106.A OG1 ASP 108.A OD1 no hydrogen 2.613 N/A THR 106.A OG1 LYS 110.A O no hydrogen 3.431 N/A VAL 107.A N VAL 89.A O no hydrogen 2.998 N/A ASP 108.A N ASP 108.A OD1 no hydrogen 2.513 N/A GLY 109.A N THR 106.A O no hydrogen 3.001 N/A LYS 110.A N THR 106.A OG1 no hydrogen 3.028 N/A PHE 112.A N ALA 104.A O no hydrogen 2.875 N/A SER 113.A N ARG 134.A O no hydrogen 3.025 N/A SER 113.A OG LEU 122.A O no hydrogen 2.641 N/A TRP 114.A N ALA 102.A O no hydrogen 2.967 N/A TRP 114.A NE1 ARG 66.A O no hydrogen 2.934 N/A GLY 115.A N CYS 130.A O no hydrogen 2.888 N/A GLU 116.A N ARG 100.A O no hydrogen 2.851 N/A GLY 117.A N ASN 129.A OD1 no hydrogen 2.760 N/A GLY 120.A N GLY 117.A O no hydrogen 3.184 N/A LYS 121.A N ASP 118.A O no hydrogen 3.503 N/A LYS 121.A NZ GLU 116.A OE1 no hydrogen 2.733 N/A LYS 121.A NZ SER 151.A O no hydrogen 2.799 N/A GLY 123.A N GLY 120.A O no hydrogen 2.947 N/A PHE 125.A N LEU 183.A O no hydrogen 2.900 N/A SER 126.A OG HIS 124.A O no hydrogen 3.547 N/A CYS 130.A N GLY 115.A O no hydrogen 2.992 N/A CYS 130.A SG ASN 129.A O no hydrogen 3.231 N/A ARG 134.A N SER 113.A O no hydrogen 2.951 N/A ILE 136.A N VAL 111.A O no hydrogen 2.972 N/A LEU 139.A N ILE 136.A O no hydrogen 2.962 N/A LYS 140.A N GLU 137.A O no hydrogen 3.148 N/A LYS 142.A N LEU 139.A O no hydrogen 3.004 N/A LYS 142.A NZ TYR 164.A OH no hydrogen 2.799 N/A ILE 144.A N GLY 109.A O no hydrogen 3.470 N/A ARG 145.A N LEU 157.A O no hydrogen 2.957 N/A ILE 147.A N ASP 146.A OD1 no hydrogen 2.763 N/A ALA 148.A N ALA 155.A O no hydrogen 3.054 N/A CYS 149.A SG ALA 94.A O no hydrogen 3.449 N/A CYS 149.A SG HIS 101.A NE2 no hydrogen 3.745 N/A CYS 149.A SG THR 103.A OG1 no hydrogen 3.497 N/A GLY 150.A N HIS 153.A O no hydrogen 2.782 N/A SER 151.A N GLY 202.A O no hydrogen 3.119 N/A SER 151.A OG SER 152.A OG no hydrogen 3.315 N/A SER 152.A OG SER 151.A OG no hydrogen 3.315 N/A HIS 153.A NE2 THR 208.A OG1 no hydrogen 2.866 N/A SER 154.A N TRP 166.A O no hydrogen 2.904 N/A SER 154.A OG HIS 101.A NE2 no hydrogen 2.952 N/A SER 154.A OG LYS 121.A O no hydrogen 2.720 N/A ALA 155.A N ALA 148.A O no hydrogen 2.693 N/A ALA 156.A N TYR 164.A O no hydrogen 2.948 N/A LEU 157.A N ASP 146.A O no hydrogen 3.056 N/A THR 158.A N GLU 162.A O no hydrogen 2.937 N/A THR 158.A OG1 SER 160.A OG no hydrogen 2.861 N/A THR 158.A OG1 GLU 162.A OE1 no hydrogen 3.393 N/A SER 159.A N ARG 143.A O no hydrogen 2.897 N/A SER 159.A OG ARG 143.A O no hydrogen 3.375 N/A SER 160.A OG THR 158.A OG1 no hydrogen 2.861 N/A GLY 161.A N THR 158.A O no hydrogen 3.145 N/A GLU 162.A N THR 158.A OG1 no hydrogen 3.165 N/A TYR 164.A N ALA 156.A O no hydrogen 2.715 N/A THR 165.A N LYS 186.A O no hydrogen 2.920 N/A THR 165.A OG1 LEU 174.A O no hydrogen 2.688 N/A TRP 166.A N SER 154.A O no hydrogen 3.099 N/A GLY 167.A N GLN 182.A O no hydrogen 2.842 N/A LEU 168.A N SER 152.A O no hydrogen 2.827 N/A GLY 169.A N THR 181.A OG1 no hydrogen 3.282 N/A GLY 172.A N GLY 169.A O no hydrogen 3.078 N/A ARG 173.A NE GLU 170.A O no hydrogen 2.937 N/A ARG 173.A NH1 ARG 204.A O no hydrogen 2.741 N/A ARG 173.A NH2 GLU 170.A O no hydrogen 3.060 N/A ARG 173.A NH2 ARG 204.A O no hydrogen 3.340 N/A GLY 175.A N GLY 172.A O no hydrogen 3.103 N/A HIS 176.A NE2 LYS 186.A O no hydrogen 3.133 N/A GLY 177.A N ASN 237.A O no hydrogen 2.948 N/A THR 180.A N ASP 178.A OD1 no hydrogen 2.830 N/A THR 180.A OG1 ASP 178.A OD1 no hydrogen 3.133 N/A GLN 182.A N GLY 167.A O no hydrogen 3.058 N/A LYS 184.A NZ GLN 182.A OE1 no hydrogen 3.004 N/A LYS 186.A N THR 165.A O no hydrogen 2.946 N/A VAL 188.A N LEU 163.A O no hydrogen 2.941 N/A LEU 191.A N VAL 188.A O no hydrogen 3.204 N/A LEU 192.A N LYS 189.A O no hydrogen 3.226 N/A HIS 194.A N LEU 191.A O no hydrogen 3.284 N/A VAL 196.A N GLY 161.A O no hydrogen 3.020 N/A ILE 197.A N LEU 211.A O no hydrogen 2.725 N/A GLN 198.A N LEU 211.A O no hydrogen 3.376 N/A GLN 198.A NE2 CYS 251.A O no hydrogen 3.311 N/A ALA 200.A N LEU 209.A O no hydrogen 2.887 N/A GLY 202.A N GLN 207.A O no hydrogen 3.018 N/A ARG 204.A N SER 151.A OG no hydrogen 2.757 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.758 N/A GLN 207.A NE2 PHE 259.A O no hydrogen 2.963 N/A GLN 207.A NE2 SER 260.A OG no hydrogen 2.962 N/A THR 208.A N TRP 220.A O no hydrogen 2.842 N/A THR 208.A OG1 HIS 153.A NE2 no hydrogen 2.866 N/A THR 208.A OG1 ARG 173.A O no hydrogen 2.649 N/A LEU 209.A N ALA 200.A O no hydrogen 2.793 N/A ALA 210.A N PHE 218.A O no hydrogen 2.873 N/A LEU 211.A N GLN 198.A O no hydrogen 2.868 N/A THR 212.A N LEU 216.A O no hydrogen 2.837 N/A ASP 213.A N ARG 195.A O no hydrogen 2.866 N/A GLU 214.A N THR 212.A OG1 no hydrogen 3.244 N/A GLY 215.A N THR 212.A O no hydrogen 2.980 N/A PHE 218.A N ALA 210.A O no hydrogen 2.770 N/A SER 219.A N GLN 240.A O no hydrogen 2.850 N/A SER 219.A OG LEU 228.A O no hydrogen 2.624 N/A TRP 220.A N THR 208.A O no hydrogen 3.028 N/A GLY 221.A N CYS 236.A O no hydrogen 2.602 N/A ASP 222.A N ALA 206.A O no hydrogen 2.830 N/A ASP 224.A N ASP 222.A OD2 no hydrogen 3.002 N/A GLY 226.A N GLY 223.A O no hydrogen 3.020 N/A LYS 227.A N ASP 224.A O no hydrogen 3.443 N/A LYS 227.A NZ ASP 222.A O no hydrogen 3.409 N/A LYS 227.A NZ ASP 222.A OD2 no hydrogen 2.668 N/A LYS 227.A NZ ASP 224.A O no hydrogen 3.015 N/A LYS 227.A NZ GLN 258.A OE1 no hydrogen 2.952 N/A GLY 229.A N GLY 226.A O no hydrogen 3.023 N/A ARG 230.A NH1 GLU 243.A OE1 no hydrogen 3.253 N/A GLY 231.A N ARG 289.A O no hydrogen 2.706 N/A CYS 236.A N GLY 221.A O no hydrogen 2.983 N/A CYS 236.A SG ILE 238.A O no hydrogen 3.566 N/A ASN 237.A ND2 ASN 179.A OD1 no hydrogen 3.686 N/A GLN 240.A N SER 219.A O no hydrogen 2.966 N/A ASN 241.A ND2 VAL 217.A O no hydrogen 2.985 N/A ASN 241.A ND2 ASN 246.A OD1 no hydrogen 3.147 N/A ILE 242.A N VAL 217.A O no hydrogen 2.860 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.803 N/A LEU 245.A N ILE 242.A O no hydrogen 3.083 N/A ASN 246.A N GLU 243.A O no hydrogen 3.081 N/A ASN 246.A ND2 ASN 241.A OD1 no hydrogen 2.951 N/A GLN 248.A N LEU 245.A O no hydrogen 3.053 N/A GLN 248.A NE2 ASN 246.A O no hydrogen 3.594 N/A CYS 251.A N LEU 263.A O no hydrogen 2.718 N/A CYS 251.A SG LEU 263.A O no hydrogen 3.387 N/A GLN 252.A N LEU 263.A O no hydrogen 3.196 N/A GLN 252.A NE2 GLU 254.A OE2 no hydrogen 2.826 N/A GLN 252.A NE2 VAL 305.A O no hydrogen 2.905 N/A ILE 253.A N GLN 198.A OE1 no hydrogen 2.845 N/A GLU 254.A N LEU 261.A O no hydrogen 2.888 N/A GLY 256.A N PHE 259.A O no hydrogen 3.214 N/A ALA 257.A N ALA 309.A O no hydrogen 3.244 N/A GLN 258.A NE2 ASP 205.A O no hydrogen 3.063 N/A SER 260.A N TRP 272.A O no hydrogen 2.758 N/A SER 260.A OG LYS 227.A O no hydrogen 2.939 N/A LEU 261.A N GLU 254.A O no hydrogen 2.951 N/A ALA 262.A N TRP 270.A O no hydrogen 2.744 N/A LEU 263.A N GLN 252.A O no hydrogen 2.981 N/A THR 264.A N VAL 268.A O no hydrogen 2.936 N/A THR 264.A OG1 SER 266.A OG no hydrogen 3.207 N/A THR 264.A OG1 VAL 268.A O no hydrogen 3.534 N/A LYS 265.A N GLY 249.A O no hydrogen 2.932 N/A SER 266.A OG THR 264.A OG1 no hydrogen 3.207 N/A GLY 267.A N THR 264.A O no hydrogen 2.780 N/A VAL 268.A N THR 264.A OG1 no hydrogen 3.074 N/A TRP 270.A N ALA 262.A O no hydrogen 2.809 N/A THR 271.A N GLN 292.A O no hydrogen 3.144 N/A THR 271.A OG1 LEU 280.A O no hydrogen 2.810 N/A TRP 272.A N SER 260.A O no hydrogen 3.066 N/A GLY 273.A N VAL 288.A O no hydrogen 2.629 N/A LYS 274.A N GLN 258.A O no hydrogen 2.874 N/A GLY 275.A N HIS 287.A ND1 no hydrogen 2.993 N/A PHE 278.A N GLY 275.A O no hydrogen 2.930 N/A ARG 279.A NE ASP 276.A O no hydrogen 2.943 N/A ARG 279.A NH1 ALA 257.A O no hydrogen 2.730 N/A ARG 279.A NH2 ASP 276.A O no hydrogen 2.988 N/A VAL 288.A N GLY 273.A O no hydrogen 3.001 N/A ARG 289.A NH1 GLY 232.A O no hydrogen 2.969 N/A GLN 292.A N THR 271.A O no hydrogen 3.119 N/A VAL 294.A N VAL 269.A O no hydrogen 2.740 N/A LEU 297.A N VAL 294.A O no hydrogen 3.155 N/A ARG 298.A N GLU 295.A O no hydrogen 2.881 N/A LYS 300.A N LEU 297.A O no hydrogen 2.872 N/A ILE 302.A N GLY 267.A O no hydrogen 3.367 N/A VAL 303.A N VAL 315.A O no hydrogen 2.734 N/A ALA 306.A N LEU 313.A O no hydrogen 2.982 N/A GLY 308.A N HIS 311.A O no hydrogen 2.716 N/A ALA 309.A N SER 361.A O no hydrogen 3.342 N/A HIS 311.A NE2 HIS 363.A O no hydrogen 3.147 N/A HIS 311.A NE2 SER 364.A OG no hydrogen 2.993 N/A CYS 312.A N TRP 324.A O no hydrogen 2.986 N/A CYS 312.A SG ARG 279.A O no hydrogen 3.695 N/A LEU 313.A N ALA 306.A O no hydrogen 2.858 N/A ALA 314.A N TYR 322.A O no hydrogen 2.809 N/A VAL 315.A N HIS 304.A O no hydrogen 2.793 N/A THR 316.A N GLN 320.A O no hydrogen 2.765 N/A THR 316.A OG1 SER 318.A OG no hydrogen 2.848 N/A THR 316.A OG1 GLN 320.A O no hydrogen 3.559 N/A ASP 317.A N LYS 301.A O no hydrogen 2.903 N/A SER 318.A N THR 316.A OG1 no hydrogen 3.229 N/A SER 318.A OG THR 316.A OG1 no hydrogen 2.848 N/A GLY 319.A N THR 316.A O no hydrogen 2.975 N/A GLN 320.A N THR 316.A OG1 no hydrogen 3.009 N/A TYR 322.A N ALA 314.A O no hydrogen 2.744 N/A TYR 322.A OH GLN 320.A OE1 no hydrogen 3.264 N/A ALA 323.A N THR 344.A O no hydrogen 2.874 N/A TRP 324.A N CYS 312.A O no hydrogen 3.171 N/A TRP 324.A NE1 ARG 279.A O no hydrogen 3.084 N/A GLY 325.A N ASN 340.A O no hydrogen 2.871 N/A ASP 326.A N LEU 310.A O no hydrogen 2.951 N/A ASN 327.A ND2 ASN 334.A OD1 no hydrogen 3.009 N/A ASN 327.A ND2 THR 338.A O no hydrogen 2.900 N/A ASP 328.A N ASP 326.A OD2 no hydrogen 3.044 N/A HIS 329.A N GLN 331.A OE1 no hydrogen 2.925 N/A GLY 330.A N ASN 327.A O no hydrogen 3.122 N/A GLN 331.A N GLN 331.A OE1 no hydrogen 2.679 N/A GLN 332.A N ASN 327.A OD1 no hydrogen 2.730 N/A GLN 332.A NE2 ASP 326.A O no hydrogen 2.948 N/A GLY 333.A N GLY 330.A O no hydrogen 2.992 N/A ASN 334.A ND2 THR 338.A O no hydrogen 3.013 N/A ASN 334.A ND2 ASN 340.A OD1 no hydrogen 2.997 N/A GLY 335.A N LYS 24.A O no hydrogen 2.909 N/A THR 336.A N ASN 334.A OD1 no hydrogen 2.909 N/A THR 336.A OG1 ASN 334.A OD1 no hydrogen 2.793 N/A THR 338.A N THR 336.A OG1 no hydrogen 2.818 N/A THR 338.A OG1 THR 336.A OG1 no hydrogen 3.370 N/A ASN 340.A N GLY 325.A O no hydrogen 3.074 N/A ASN 340.A ND2 ALA 323.A O no hydrogen 3.516 N/A ASN 340.A ND2 GLN 332.A OE1 no hydrogen 2.936 N/A THR 344.A N ALA 323.A O no hydrogen 2.743 N/A THR 344.A OG1 LYS 342.A O no hydrogen 3.016 N/A VAL 346.A N VAL 321.A O no hydrogen 2.758 N/A GLN 347.A N GLY 333.A O no hydrogen 3.110 N/A GLN 352.A N LEU 349.A O no hydrogen 3.095 N/A ILE 354.A N GLY 319.A O no hydrogen 3.436 N/A THR 355.A N TRP 367.A O no hydrogen 2.977 N/A THR 355.A OG1 TRP 367.A O no hydrogen 3.396 N/A ARG 356.A N TRP 367.A O no hydrogen 3.276 N/A ARG 356.A NH1 THR 355.A O no hydrogen 3.298 N/A VAL 357.A N HIS 304.A ND1 no hydrogen 3.251 N/A ALA 358.A N VAL 365.A O no hydrogen 2.927 N/A CYS 359.A SG HIS 311.A NE2 no hydrogen 3.522 N/A GLY 360.A N HIS 363.A O no hydrogen 3.109 N/A SER 361.A N GLY 43.A O no hydrogen 3.287 N/A HIS 363.A NE2 SER 46.A O no hydrogen 2.839 N/A SER 364.A N TRP 7.A O no hydrogen 2.775 N/A SER 364.A OG HIS 311.A NE2 no hydrogen 2.993 N/A SER 364.A OG GLN 331.A O no hydrogen 3.036 N/A VAL 365.A N ALA 358.A O no hydrogen 2.942 N/A ALA 366.A N PHE 5.A O no hydrogen 2.855 N/A TRP 367.A N ARG 356.A O no hydrogen 3.024 N/A THR 368.A N LYS 3.A O no hydrogen 3.087 N/A THR 368.A OG1 LYS 3.A O no hydrogen 3.543 N/A