Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1umd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 182.A OE1 no hydrogen 3.339 N/A ALA 1.A N GLU 182.A OE2 no hydrogen 2.826 N/A ALA 1.A N VAL 183.A O no hydrogen 2.935 N/A MET 3.A N GLU 181.A O no hydrogen 2.912 N/A THR 4.A N GLN 7.A OE1 no hydrogen 2.847 N/A VAL 6.A N TYR 176.A O no hydrogen 3.114 N/A GLN 7.A N THR 4.A OG1 no hydrogen 3.222 N/A ALA 8.A N THR 4.A O no hydrogen 2.958 N/A LEU 9.A N MET 5.A O no hydrogen 2.822 N/A ASN 10.A N VAL 6.A O no hydrogen 2.896 N/A ASN 10.A ND2 VAL 39.A O no hydrogen 2.900 N/A ASN 10.A ND2 GLU 41.A O no hydrogen 2.920 N/A ARG 11.A N GLN 7.A O no hydrogen 2.893 N/A ARG 11.A NE GLU 15.A OE2 no hydrogen 2.611 N/A ARG 11.A NH2 GLU 185.A O no hydrogen 3.239 N/A ALA 12.A N ALA 8.A O no hydrogen 2.977 N/A LEU 13.A N LEU 9.A O no hydrogen 3.027 N/A ASP 14.A N ASN 10.A O no hydrogen 2.982 N/A GLU 15.A N ARG 11.A O no hydrogen 2.899 N/A GLU 16.A N ALA 12.A O no hydrogen 3.020 N/A MET 17.A N LEU 13.A O no hydrogen 2.926 N/A ALA 18.A N ASP 14.A O no hydrogen 2.924 N/A LYS 19.A N GLU 15.A O no hydrogen 3.018 N/A ASP 20.A N GLU 16.A O no hydrogen 2.929 N/A ARG 22.A N ASP 20.A OD1 no hydrogen 2.864 N/A ARG 22.A NE ASP 20.A OD1 no hydrogen 3.106 N/A ARG 22.A NE ASP 20.A OD2 no hydrogen 2.964 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 2.611 N/A VAL 23.A N ASP 20.A O no hydrogen 3.075 N/A VAL 24.A N ARG 75.A O no hydrogen 3.381 N/A VAL 25.A N ARG 51.A O no hydrogen 2.663 N/A LEU 26.A N VAL 77.A O no hydrogen 3.294 N/A GLY 27.A N MET 53.A O no hydrogen 3.197 N/A GLY 31.A N ASP 54.A OD1 no hydrogen 2.715 N/A ARG 33.A NH1 ARG 33.A O no hydrogen 3.208 N/A GLY 34.A N GLY 31.A O no hydrogen 2.760 N/A GLY 35.A N ASP 29.A O no hydrogen 2.879 N/A LEU 38.A N GLY 35.A O no hydrogen 2.978 N/A THR 40.A N GLY 34.A O no hydrogen 3.271 N/A THR 40.A OG1 VAL 30.A O no hydrogen 2.785 N/A GLU 41.A N LEU 38.A O no hydrogen 3.215 N/A LEU 43.A N THR 40.A O no hydrogen 3.155 N/A LYS 46.A N GLY 42.A O no hydrogen 3.172 N/A LYS 46.A NZ ASP 14.A OD1 no hydrogen 2.811 N/A LYS 46.A NZ ASP 14.A OD2 no hydrogen 3.365 N/A LYS 46.A NZ TYR 47.A OH no hydrogen 3.507 N/A TYR 47.A N LEU 43.A O no hydrogen 2.736 N/A TYR 47.A OH ASP 14.A OD1 no hydrogen 2.630 N/A GLY 48.A N LEU 44.A O no hydrogen 2.736 N/A ARG 51.A N GLY 48.A O no hydrogen 3.156 N/A ARG 51.A NE VAL 23.A O no hydrogen 3.231 N/A ARG 51.A NH1 MET 17.A O no hydrogen 3.551 N/A ARG 51.A NH2 MET 17.A O no hydrogen 3.030 N/A ARG 51.A NH2 VAL 23.A O no hydrogen 2.799 N/A VAL 52.A N GLY 48.A O no hydrogen 3.210 N/A MET 53.A N VAL 25.A O no hydrogen 2.823 N/A THR 55.A N GLY 27.A O no hydrogen 2.981 N/A THR 55.A OG1 PRO 56.A O no hydrogen 3.041 N/A SER 58.A N PRO 56.A O no hydrogen 2.946 N/A ALA 61.A N SER 58.A OG no hydrogen 3.048 N/A ILE 62.A N SER 58.A O no hydrogen 2.928 N/A VAL 63.A N GLU 59.A O no hydrogen 2.933 N/A GLY 64.A N ALA 60.A O no hydrogen 2.910 N/A ALA 65.A N ALA 61.A O no hydrogen 2.857 N/A ALA 66.A N ILE 62.A O no hydrogen 3.009 N/A LEU 67.A N VAL 63.A O no hydrogen 2.970 N/A GLY 68.A N GLY 64.A O no hydrogen 2.939 N/A MET 69.A N ALA 65.A O no hydrogen 2.769 N/A ALA 70.A N ALA 66.A O no hydrogen 2.863 N/A ALA 71.A N LEU 67.A O no hydrogen 2.928 N/A HIS 72.A N GLY 68.A O no hydrogen 3.125 N/A GLY 73.A N MET 69.A O no hydrogen 3.005 N/A LEU 74.A N MET 69.A O no hydrogen 2.974 N/A ARG 75.A N ARG 22.A O no hydrogen 2.950 N/A ARG 75.A NH1 GLU 164.A OE1 no hydrogen 3.391 N/A ARG 75.A NH2 ILE 161.A O no hydrogen 3.227 N/A ARG 75.A NH2 GLU 164.A OE2 no hydrogen 2.769 N/A VAL 77.A N VAL 24.A O no hydrogen 2.802 N/A ALA 78.A N VAL 113.A O no hydrogen 2.750 N/A GLU 79.A N LEU 26.A O no hydrogen 2.913 N/A ILE 80.A N ARG 115.A O no hydrogen 2.919 N/A GLN 81.A NE2 GLU 28.A O no hydrogen 3.239 N/A GLN 81.A NE2 ASP 29.A OD2 no hydrogen 2.911 N/A ALA 83.A N PRO 117.A O no hydrogen 2.806 N/A TYR 85.A N PHE 82.A O no hydrogen 2.779 N/A ILE 86.A N ALA 83.A O no hydrogen 3.144 N/A GLY 89.A N ILE 86.A O no hydrogen 2.934 N/A PHE 90.A N PHE 87.A O no hydrogen 2.866 N/A LEU 93.A N GLY 89.A O no hydrogen 3.117 N/A VAL 94.A N PHE 90.A O no hydrogen 2.908 N/A SER 95.A N ASP 91.A O no hydrogen 2.689 N/A SER 95.A OG ASP 91.A OD1 no hydrogen 2.569 N/A GLN 96.A N GLN 92.A O no hydrogen 3.158 N/A VAL 97.A N GLN 92.A O no hydrogen 2.885 N/A ALA 98.A N LEU 93.A O no hydrogen 3.032 N/A LYS 99.A NZ VAL 94.A O no hydrogen 2.738 N/A LEU 100.A N VAL 97.A O no hydrogen 3.456 N/A ARG 103.A N LYS 99.A O no hydrogen 2.840 N/A ARG 103.A NH1 GLN 96.A O no hydrogen 3.504 N/A ARG 103.A NH1 GLN 96.A OE1 no hydrogen 3.386 N/A ARG 103.A NH2 GLN 96.A OE1 no hydrogen 2.784 N/A SER 104.A N LEU 100.A O no hydrogen 3.114 N/A SER 104.A OG LEU 100.A O no hydrogen 2.760 N/A SER 104.A OG ARG 101.A O no hydrogen 3.297 N/A SER 104.A OG PHE 108.A O no hydrogen 3.390 N/A GLY 105.A N TYR 102.A O no hydrogen 3.155 N/A GLY 106.A N ARG 101.A O no hydrogen 2.780 N/A GLN 107.A N SER 104.A O no hydrogen 3.076 N/A GLN 107.A NE2 SER 104.A O no hydrogen 3.137 N/A PHE 108.A N SER 104.A OG no hydrogen 3.041 N/A LEU 112.A N ALA 110.A O no hydrogen 2.690 N/A VAL 113.A N PRO 76.A O no hydrogen 3.002 N/A VAL 114.A N VAL 167.A O no hydrogen 2.853 N/A ARG 115.A N ALA 78.A O no hydrogen 2.726 N/A ARG 115.A NE GLU 171.A OE2 no hydrogen 2.722 N/A ARG 115.A NH1 GLU 79.A OE1 no hydrogen 2.764 N/A ARG 115.A NH2 GLU 79.A OE1 no hydrogen 3.390 N/A ARG 115.A NH2 GLU 171.A OE1 no hydrogen 3.024 N/A MET 116.A N PHE 169.A O no hydrogen 3.001 N/A SER 118.A N GLU 171.A O no hydrogen 2.817 N/A GLY 119.A N GLN 130.A O no hydrogen 3.101 N/A GLY 120.A N ASP 261.A OD2 no hydrogen 2.990 N/A GLY 121.A N TYR 298.A OH no hydrogen 3.075 N/A GLY 121.A N ASP 303.A OD1 no hydrogen 3.202 N/A HIS 126.A ND1 TYR 298.A O no hydrogen 2.636 N/A SER 129.A N ASP 84.A OD2 no hydrogen 3.034 N/A SER 129.A OG GLY 125.A O no hydrogen 2.822 N/A GLN 130.A N ASP 84.A OD2 no hydrogen 2.775 N/A GLN 130.A NE2 HIS 126.A O no hydrogen 3.039 N/A SER 131.A OG ASP 261.A OD1 no hydrogen 2.730 N/A SER 131.A OG ASP 261.A OD2 no hydrogen 3.245 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.847 N/A HIS 135.A N PRO 132.A O no hydrogen 2.913 N/A PHE 136.A N GLU 133.A O no hydrogen 2.927 N/A VAL 137.A N GLU 133.A O no hydrogen 2.862 N/A HIS 138.A N ALA 134.A O no hydrogen 3.009 N/A THR 139.A N PHE 136.A O no hydrogen 2.927 N/A THR 139.A OG1 HIS 135.A O no hydrogen 2.917 N/A LYS 143.A N PRO 166.A O no hydrogen 2.976 N/A LYS 143.A NZ ASP 163.A OD1 no hydrogen 3.364 N/A LYS 143.A NZ ASP 163.A OD2 no hydrogen 2.648 N/A LYS 143.A NZ ASP 165.A OD2 no hydrogen 3.145 N/A VAL 144.A N MET 239.A O no hydrogen 2.887 N/A VAL 145.A N VAL 168.A O no hydrogen 2.936 N/A ALA 146.A N ARG 236.A O no hydrogen 2.827 N/A VAL 147.A N LEU 170.A O no hydrogen 3.307 N/A SER 148.A OG ASP 234.A OD2 no hydrogen 2.678 N/A THR 149.A OG1 ASP 152.A OD2 no hydrogen 2.622 N/A TYR 151.A N GLU 181.A OE1 no hydrogen 2.743 N/A ASP 152.A N THR 149.A OG1 no hydrogen 3.129 N/A ALA 153.A N THR 149.A O no hydrogen 2.883 N/A LYS 154.A N PRO 150.A O no hydrogen 3.230 N/A LYS 154.A NZ GLU 15.A OE2 no hydrogen 2.778 N/A LYS 154.A NZ PRO 184.A O no hydrogen 2.671 N/A LYS 154.A NZ GLU 185.A O no hydrogen 3.256 N/A LYS 154.A NZ GLU 186.A O no hydrogen 2.983 N/A GLY 155.A N TYR 151.A O no hydrogen 3.221 N/A LEU 156.A N ASP 152.A O no hydrogen 2.756 N/A LEU 157.A N ALA 153.A O no hydrogen 3.061 N/A LYS 158.A N LYS 154.A O no hydrogen 3.055 N/A LYS 158.A NZ GLU 15.A OE1 no hydrogen 2.761 N/A LYS 158.A NZ GLU 16.A OE2 no hydrogen 2.686 N/A LYS 158.A NZ ASP 187.A OD1 no hydrogen 2.581 N/A ALA 159.A N GLY 155.A O no hydrogen 3.116 N/A ALA 160.A N LEU 156.A O no hydrogen 2.802 N/A ILE 161.A N LEU 157.A O no hydrogen 2.938 N/A ARG 162.A N LYS 158.A O no hydrogen 3.169 N/A ARG 162.A N ALA 159.A O no hydrogen 3.171 N/A ARG 162.A NE GLU 16.A OE1 no hydrogen 3.186 N/A ARG 162.A NE GLU 16.A OE2 no hydrogen 3.347 N/A ARG 162.A NH1 ASP 187.A OD2 no hydrogen 3.548 N/A ARG 162.A NH2 GLU 16.A OE2 no hydrogen 2.853 N/A ARG 162.A NH2 ASP 187.A OD1 no hydrogen 2.900 N/A ARG 162.A NH2 ASP 187.A OD2 no hydrogen 3.000 N/A ASP 163.A N ALA 159.A O no hydrogen 2.868 N/A ASP 163.A N ALA 160.A O no hydrogen 3.111 N/A ASP 165.A N ASP 163.A OD1 no hydrogen 2.714 N/A VAL 167.A N LEU 112.A O no hydrogen 3.107 N/A VAL 168.A N LYS 143.A O no hydrogen 2.860 N/A PHE 169.A N VAL 114.A O no hydrogen 2.829 N/A LEU 170.A N VAL 145.A O no hydrogen 2.724 N/A GLU 171.A N MET 116.A O no hydrogen 2.887 N/A LYS 173.A N SER 118.A O no hydrogen 2.940 N/A LYS 173.A NZ GLY 119.A O no hydrogen 2.823 N/A LYS 173.A NZ HIS 128.A O no hydrogen 3.016 N/A ARG 174.A NH1 THR 211.A O no hydrogen 3.018 N/A ARG 174.A NH1 GLU 215.A OE1 no hydrogen 2.840 N/A ARG 174.A NH1 GLU 215.A OE2 no hydrogen 3.342 N/A ARG 174.A NH2 GLU 215.A OE2 no hydrogen 2.918 N/A LEU 175.A N PRO 172.A O no hydrogen 2.881 N/A TYR 176.A N LYS 173.A O no hydrogen 3.133 N/A TYR 176.A OH GLU 171.A OE1 no hydrogen 2.537 N/A GLU 181.A N MET 3.A O no hydrogen 3.053 N/A VAL 183.A N ALA 1.A O no hydrogen 2.616 N/A TYR 188.A OH TYR 151.A O no hydrogen 2.779 N/A LEU 190.A N GLY 155.A O no hydrogen 3.142 N/A GLY 193.A N THR 237.A OG1 no hydrogen 2.734 N/A ALA 195.A N ASP 242.A OD2 no hydrogen 2.764 N/A ALA 196.A N ASP 234.A O no hydrogen 2.730 N/A ARG 198.A N VAL 232.A O no hydrogen 2.838 N/A ARG 198.A NH2 ASP 152.A OD2 no hydrogen 2.495 N/A ARG 198.A NH2 ASP 234.A OD2 no hydrogen 3.006 N/A ARG 199.A N VAL 232.A O no hydrogen 3.462 N/A ARG 199.A NH2 GLU 200.A O no hydrogen 3.408 N/A GLY 201.A N GLU 231.A OE2 no hydrogen 3.223 N/A LYS 202.A NZ ASP 203.A OD1 no hydrogen 3.296 N/A ASP 203.A N SER 229.A O no hydrogen 2.803 N/A THR 205.A N ARG 255.A O no hydrogen 2.861 N/A THR 205.A OG1 SER 249.A OG no hydrogen 2.771 N/A THR 205.A OG1 THR 253.A OG1 no hydrogen 2.635 N/A LEU 206.A N GLU 231.A O no hydrogen 2.758 N/A ILE 207.A N VAL 257.A O no hydrogen 2.951 N/A CYS 208.A N LEU 233.A O no hydrogen 3.103 N/A CYS 208.A SG LEU 233.A O no hydrogen 3.671 N/A TYR 209.A OH GLU 133.A OE2 no hydrogen 2.602 N/A MET 213.A N GLY 210.A O no hydrogen 3.094 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.709 N/A VAL 216.A N VAL 212.A O no hydrogen 3.080 N/A LEU 217.A N MET 213.A O no hydrogen 2.892 N/A GLN 218.A N PRO 214.A O no hydrogen 3.074 N/A GLN 218.A NE2 GLU 222.A OE2 no hydrogen 3.445 N/A ALA 219.A N GLU 215.A O no hydrogen 2.870 N/A ALA 220.A N VAL 216.A O no hydrogen 2.919 N/A ALA 221.A N LEU 217.A O no hydrogen 2.994 N/A GLU 222.A N GLN 218.A O no hydrogen 2.994 N/A LEU 223.A N ALA 219.A O no hydrogen 2.919 N/A ALA 224.A N ALA 220.A O no hydrogen 3.047 N/A LYS 225.A N ALA 221.A O no hydrogen 3.227 N/A ALA 226.A N GLU 222.A O no hydrogen 3.322 N/A ALA 226.A N LEU 223.A O no hydrogen 2.962 N/A GLY 227.A N ALA 224.A O no hydrogen 2.810 N/A VAL 228.A N LEU 223.A O no hydrogen 2.761 N/A SER 229.A N ASP 203.A OD2 no hydrogen 2.707 N/A GLU 231.A N LEU 204.A O no hydrogen 2.680 N/A VAL 232.A N ARG 199.A O no hydrogen 2.854 N/A LEU 233.A N LEU 206.A O no hydrogen 2.926 N/A ASP 234.A N ALA 196.A O no hydrogen 2.896 N/A LEU 235.A N CYS 208.A O no hydrogen 2.989 N/A ARG 236.A N ASP 234.A OD1 no hydrogen 3.024 N/A ARG 236.A NE LYS 194.A O no hydrogen 2.910 N/A ARG 236.A NH1 ASP 152.A OD1 no hydrogen 2.897 N/A ARG 236.A NH2 LYS 194.A O no hydrogen 2.970 N/A THR 237.A N LEU 235.A O no hydrogen 2.648 N/A LEU 238.A N VAL 144.A O no hydrogen 2.733 N/A MET 239.A N VAL 144.A O no hydrogen 3.236 N/A TYR 243.A OH ASP 279.A OD2 no hydrogen 2.606 N/A ALA 245.A N ASP 242.A OD1 no hydrogen 3.028 N/A VAL 246.A N ASP 242.A O no hydrogen 3.149 N/A MET 247.A N TYR 243.A O no hydrogen 2.935 N/A ASN 248.A N GLU 244.A O no hydrogen 2.917 N/A SER 249.A N ALA 245.A O no hydrogen 3.290 N/A SER 249.A OG THR 205.A OG1 no hydrogen 2.771 N/A SER 249.A OG GLU 231.A OE1 no hydrogen 2.625 N/A VAL 250.A N VAL 246.A O no hydrogen 3.089 N/A ALA 251.A N MET 247.A O no hydrogen 2.960 N/A LYS 252.A N ASN 248.A O no hydrogen 3.188 N/A LYS 252.A NZ GLY 201.A O no hydrogen 3.047 N/A LYS 252.A NZ GLU 231.A OE1 no hydrogen 3.215 N/A LYS 252.A NZ GLU 231.A OE2 no hydrogen 2.597 N/A THR 253.A N SER 249.A O no hydrogen 2.920 N/A THR 253.A OG1 THR 205.A OG1 no hydrogen 2.635 N/A THR 253.A OG1 SER 249.A O no hydrogen 3.286 N/A THR 253.A OG1 ARG 255.A O no hydrogen 3.021 N/A GLY 254.A N VAL 250.A O no hydrogen 2.681 N/A ARG 255.A NE ALA 320.A O no hydrogen 3.224 N/A ARG 255.A NH2 ALA 320.A O no hydrogen 2.952 N/A VAL 257.A N THR 205.A O no hydrogen 2.908 N/A LEU 258.A N ILE 289.A O no hydrogen 2.768 N/A VAL 259.A N ILE 207.A O no hydrogen 2.768 N/A SER 260.A N VAL 291.A O no hydrogen 3.088 N/A SER 260.A OG TYR 209.A OH no hydrogen 3.042 N/A ALA 262.A N SER 260.A OG no hydrogen 3.190 N/A ARG 264.A N GLY 293.A O no hydrogen 3.143 N/A ARG 264.A NH1 ARG 290.A O no hydrogen 3.079 N/A ARG 264.A NH1 THR 292.A OG1 no hydrogen 3.145 N/A ARG 264.A NH2 ARG 290.A O no hydrogen 3.260 N/A HIS 265.A N ASP 295.A OD1 no hydrogen 2.894 N/A HIS 265.A ND1 ASP 295.A OD2 no hydrogen 2.803 N/A SER 267.A N ARG 264.A O no hydrogen 3.037 N/A SER 267.A OG ARG 264.A O no hydrogen 2.820 N/A SER 267.A OG SER 270.A OG no hydrogen 3.053 N/A SER 270.A N SER 267.A OG no hydrogen 3.339 N/A SER 270.A OG ARG 264.A O no hydrogen 3.127 N/A SER 270.A OG SER 267.A OG no hydrogen 3.053 N/A GLU 271.A N SER 267.A O no hydrogen 3.262 N/A VAL 272.A N PHE 268.A O no hydrogen 3.091 N/A ALA 273.A N VAL 269.A O no hydrogen 2.849 N/A ALA 274.A N SER 270.A O no hydrogen 2.933 N/A THR 275.A N GLU 271.A O no hydrogen 2.993 N/A THR 275.A OG1 GLU 271.A O no hydrogen 2.888 N/A ILE 276.A N VAL 272.A O no hydrogen 2.883 N/A ALA 277.A N ALA 273.A O no hydrogen 3.038 N/A GLU 278.A N ALA 274.A O no hydrogen 2.962 N/A ASP 279.A N THR 275.A O no hydrogen 2.952 N/A LEU 280.A N ILE 276.A O no hydrogen 2.737 N/A MET 283.A N LEU 280.A O no hydrogen 2.866 N/A LEU 284.A N LEU 281.A O no hydrogen 3.158 N/A LEU 285.A N GLY 254.A O no hydrogen 2.593 N/A ILE 289.A N VAL 256.A O no hydrogen 3.088 N/A ARG 290.A NH1 SER 270.A OG no hydrogen 2.818 N/A VAL 291.A N LEU 258.A O no hydrogen 2.802 N/A THR 292.A OG1 GLY 293.A O no hydrogen 3.013 N/A GLY 293.A N ALA 262.A O no hydrogen 3.009 N/A THR 296.A OG1 PRO 297.A O no hydrogen 2.876 N/A TYR 298.A OH ASP 303.A O no hydrogen 3.409 N/A TYR 298.A OH ASP 303.A OD1 no hydrogen 2.878 N/A ASP 303.A N TYR 300.A O no hydrogen 3.081 N/A LEU 305.A N GLN 302.A O no hydrogen 2.850 N/A TYR 306.A N GLN 302.A O no hydrogen 2.991 N/A TYR 306.A N ASP 303.A O no hydrogen 3.203 N/A TYR 306.A OH PHE 294.A O no hydrogen 2.625 N/A LEU 307.A N ASP 303.A O no hydrogen 3.210 N/A ARG 312.A N THR 309.A OG1 no hydrogen 3.027 N/A ARG 312.A NH1 THR 292.A O no hydrogen 3.046 N/A ARG 312.A NH2 THR 292.A O no hydrogen 3.190 N/A ILE 313.A N THR 309.A O no hydrogen 3.055 N/A LEU 314.A N VAL 310.A O no hydrogen 2.854 N/A ASN 315.A N THR 311.A O no hydrogen 2.846 N/A ALA 316.A N ARG 312.A O no hydrogen 3.217 N/A ALA 317.A N ILE 313.A O no hydrogen 2.931 N/A LYS 318.A N LEU 314.A O no hydrogen 2.930 N/A LYS 318.A NZ ASP 322.A OD2 no hydrogen 2.976 N/A ARG 319.A N ASN 315.A O no hydrogen 3.113 N/A ALA 320.A N ALA 316.A O no hydrogen 3.047 N/A LEU 321.A N ALA 317.A O no hydrogen 2.842 N/A ASP 322.A N LYS 318.A O no hydrogen 2.764 N/A