Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 7.A N HIS 4.A O no hydrogen 3.014 N/A LYS 7.A NZ GLU 11.A OE2 no hydrogen 2.649 N/A GLU 8.A N TYR 5.A O no hydrogen 2.945 N/A HIS 10.A N LEU 6.A O no hydrogen 3.069 N/A HIS 10.A ND1 LEU 6.A O no hydrogen 2.830 N/A GLU 11.A N LYS 7.A O no hydrogen 3.017 N/A GLU 11.A N GLU 8.A O no hydrogen 3.186 N/A GLN 12.A N ILE 9.A O no hydrogen 3.223 N/A GLN 12.A NE2 THR 154.A OG1 no hydrogen 2.732 N/A GLN 12.A NE2 GLN 320.A OE1 no hydrogen 3.297 N/A VAL 15.A N GLU 11.A O no hydrogen 2.970 N/A ARG 16.A NH1 GLU 189.A OE2 no hydrogen 2.727 N/A ARG 16.A NH2 GLU 189.A OE1 no hydrogen 3.124 N/A ARG 16.A NH2 GLU 189.A OE2 no hydrogen 3.279 N/A ARG 17.A N ALA 14.A O no hydrogen 2.938 N/A ARG 17.A NE HIS 140.A O no hydrogen 2.845 N/A ARG 17.A NH1 HIS 140.A O no hydrogen 2.897 N/A ILE 18.A N VAL 15.A O no hydrogen 2.855 N/A GLN 20.A N ARG 16.A O no hydrogen 3.029 N/A GLU 21.A N ARG 17.A O no hydrogen 2.820 N/A TYR 22.A N ILE 18.A O no hydrogen 3.013 N/A TYR 22.A OH LEU 138.A O no hydrogen 2.665 N/A GLN 23.A N GLN 20.A O no hydrogen 3.476 N/A GLN 23.A NE2 ILE 19.A O no hydrogen 2.914 N/A ASP 24.A N ASN 28.A O no hydrogen 2.960 N/A GLU 26.A N ASP 24.A OD1 no hydrogen 2.984 N/A GLY 27.A N ASP 24.A O no hydrogen 2.849 N/A ASN 28.A N ASP 24.A OD1 no hydrogen 3.073 N/A LYS 30.A N TYR 22.A O no hydrogen 2.863 N/A GLN 33.A NE2 ASN 37.A OD1 no hydrogen 2.796 N/A GLN 33.A NE2 GLU 170.A OE2 no hydrogen 3.259 N/A ILE 35.A N ASP 32.A O no hydrogen 3.055 N/A ILE 36.A N ASP 32.A O no hydrogen 3.284 N/A ASN 37.A N GLN 33.A O no hydrogen 2.865 N/A ASP 38.A N ASP 34.A O no hydrogen 3.072 N/A VAL 39.A N ILE 35.A O no hydrogen 3.068 N/A LYS 40.A N ILE 36.A O no hydrogen 2.899 N/A LYS 40.A NZ ASN 37.A OD1 no hydrogen 2.696 N/A LYS 40.A NZ GLU 170.A OE2 no hydrogen 3.417 N/A GLU 41.A N ASN 37.A O no hydrogen 3.144 N/A ALA 42.A N VAL 39.A O no hydrogen 3.162 N/A ASP 43.A N LYS 89.A O no hydrogen 2.987 N/A ARG 44.A NH1 GLU 73.A OE2 no hydrogen 2.821 N/A ILE 45.A N PRO 71.A O no hydrogen 2.860 N/A TYR 46.A N LEU 91.A O no hydrogen 2.925 N/A VAL 47.A N GLU 73.A O no hydrogen 2.829 N/A ILE 48.A N VAL 93.A O no hydrogen 2.880 N/A ALA 49.A N HIS 75.A O no hydrogen 3.116 N/A ALA 50.A N SER 53.A OG no hydrogen 3.167 N/A THR 52.A OG1 GLU 225.A OE1 no hydrogen 3.484 N/A THR 52.A OG1 GLU 225.A OE2 no hydrogen 2.838 N/A SER 53.A N ALA 50.A O no hydrogen 3.132 N/A SER 53.A OG ALA 50.A O no hydrogen 2.899 N/A SER 53.A OG ILE 95.A O no hydrogen 3.066 N/A TYR 54.A N ALA 50.A O no hydrogen 3.427 N/A HIS 55.A N GLY 51.A O no hydrogen 3.012 N/A HIS 55.A ND1 GLU 225.A OE1 no hydrogen 2.801 N/A ALA 56.A N THR 52.A O no hydrogen 2.914 N/A GLY 57.A N SER 53.A O no hydrogen 2.852 N/A LEU 58.A N TYR 54.A O no hydrogen 3.026 N/A VAL 59.A N HIS 55.A O no hydrogen 3.293 N/A GLY 60.A N ALA 56.A O no hydrogen 2.888 N/A LYS 61.A N GLY 57.A O no hydrogen 2.934 N/A LYS 61.A NZ THR 72.A O no hydrogen 2.896 N/A GLU 62.A N VAL 59.A O no hydrogen 3.163 N/A LEU 64.A N GLY 60.A O no hydrogen 2.968 N/A GLU 65.A N LYS 61.A O no hydrogen 2.955 N/A LYS 66.A N GLU 62.A O no hydrogen 2.903 N/A LYS 66.A NZ GLU 62.A OE1 no hydrogen 2.726 N/A TRP 67.A N PHE 63.A O no hydrogen 2.896 N/A ALA 68.A N PHE 63.A O no hydrogen 3.183 N/A VAL 70.A N LEU 64.A O no hydrogen 3.082 N/A THR 72.A N GLU 65.A OE2 no hydrogen 2.925 N/A THR 72.A OG1 VAL 70.A O no hydrogen 2.908 N/A GLU 73.A N ILE 45.A O no hydrogen 2.885 N/A HIS 75.A N VAL 47.A O no hydrogen 2.770 N/A HIS 75.A NE2 GLU 73.A OE1 no hydrogen 2.817 N/A ALA 77.A N ALA 49.A O no hydrogen 2.905 N/A GLU 79.A N VAL 76.A O no hydrogen 3.089 N/A PHE 80.A N VAL 76.A O no hydrogen 2.967 N/A VAL 81.A N ALA 77.A O no hydrogen 2.970 N/A TYR 82.A N GLU 79.A O no hydrogen 3.251 N/A ASN 83.A N PHE 80.A O no hydrogen 3.339 N/A SER 87.A N TYR 46.A OH no hydrogen 3.026 N/A SER 87.A OG ASP 43.A OD1 no hydrogen 2.675 N/A LYS 89.A N ASP 43.A OD1 no hydrogen 3.110 N/A LYS 89.A N ASP 43.A OD2 no hydrogen 3.077 N/A LEU 91.A N ARG 44.A O no hydrogen 2.995 N/A PHE 92.A N LYS 117.A O no hydrogen 3.017 N/A VAL 93.A N TYR 46.A O no hydrogen 2.916 N/A TYR 94.A N LEU 119.A O no hydrogen 2.805 N/A TYR 94.A OH THR 111.A OG1 no hydrogen 2.753 N/A ILE 95.A N ILE 48.A O no hydrogen 3.245 N/A SER 96.A N ILE 121.A O no hydrogen 2.943 N/A SER 96.A OG THR 101.A OG1 no hydrogen 2.757 N/A GLY 99.A N SER 96.A O no hydrogen 3.195 N/A GLY 99.A N SER 96.A OG no hydrogen 2.905 N/A GLU 100.A N SER 98.A OG no hydrogen 3.032 N/A THR 101.A OG1 SER 96.A OG no hydrogen 2.757 N/A ARG 105.A N THR 101.A O no hydrogen 2.893 N/A ARG 105.A NE GLU 100.A O no hydrogen 2.897 N/A ALA 106.A N ALA 102.A O no hydrogen 3.042 N/A VAL 107.A N ASP 103.A O no hydrogen 3.017 N/A LEU 108.A N SER 104.A O no hydrogen 2.905 N/A VAL 109.A N ARG 105.A O no hydrogen 3.038 N/A GLU 110.A N ALA 106.A O no hydrogen 3.275 N/A THR 111.A N VAL 107.A O no hydrogen 2.849 N/A THR 111.A OG1 TYR 94.A OH no hydrogen 2.753 N/A THR 111.A OG1 LEU 108.A O no hydrogen 3.476 N/A ASN 112.A N LEU 108.A O no hydrogen 2.924 N/A ASN 112.A ND2 GLU 132.A O no hydrogen 2.989 N/A LYS 113.A N VAL 109.A O no hydrogen 2.922 N/A LYS 113.A NZ GLU 110.A OE2 no hydrogen 3.264 N/A LEU 114.A N GLU 110.A O no hydrogen 3.050 N/A GLY 115.A N ASN 112.A O no hydrogen 3.015 N/A HIS 116.A N THR 111.A O no hydrogen 2.931 N/A SER 118.A N ASP 134.A OD2 no hydrogen 3.032 N/A SER 118.A OG ASP 134.A OD2 no hydrogen 3.456 N/A LEU 119.A N PHE 92.A O no hydrogen 2.814 N/A THR 120.A N HIS 135.A O no hydrogen 2.849 N/A THR 120.A OG1 LEU 129.A O no hydrogen 2.726 N/A ILE 121.A N TYR 94.A O no hydrogen 2.859 N/A THR 122.A N LEU 137.A O no hydrogen 3.071 N/A THR 122.A OG1 SER 96.A O no hydrogen 2.833 N/A THR 122.A OG1 GLN 97.A O no hydrogen 3.114 N/A ASN 123.A N GLN 97.A O no hydrogen 2.992 N/A ASN 123.A ND2 GLY 142.A O no hydrogen 2.921 N/A VAL 124.A N THR 122.A OG1 no hydrogen 3.267 N/A SER 127.A N VAL 124.A O no hydrogen 3.283 N/A SER 127.A OG VAL 124.A O no hydrogen 2.777 N/A THR 128.A N GLU 100.A OE2 no hydrogen 2.988 N/A THR 128.A OG1 GLU 100.A OE1 no hydrogen 2.618 N/A THR 128.A OG1 GLU 100.A OE2 no hydrogen 3.405 N/A LEU 129.A N GLY 99.A O no hydrogen 2.940 N/A SER 130.A OG THR 136.A OG1 no hydrogen 2.759 N/A ARG 131.A N SER 127.A O no hydrogen 2.780 N/A ARG 131.A NH1 GLY 126.A O no hydrogen 2.709 N/A GLU 132.A N THR 128.A O no hydrogen 2.968 N/A ALA 133.A N SER 130.A O no hydrogen 3.358 N/A ASP 134.A N SER 118.A OG no hydrogen 3.025 N/A HIS 135.A N SER 118.A O no hydrogen 3.328 N/A HIS 135.A NE2 ASP 38.A OD2 no hydrogen 2.645 N/A THR 136.A OG1 SER 130.A OG no hydrogen 2.759 N/A LEU 137.A N THR 120.A O no hydrogen 2.811 N/A LEU 139.A N THR 122.A O no hydrogen 2.960 N/A ALA 141.A N ASN 123.A OD1 no hydrogen 2.889 N/A ILE 145.A N GLU 8.A OE2 no hydrogen 2.696 N/A ALA 146.A N GLU 8.A OE2 no hydrogen 3.063 N/A LYS 151.A NZ GLU 11.A OE1 no hydrogen 2.799 N/A LYS 151.A NZ ALA 141.A O no hydrogen 2.757 N/A LYS 151.A NZ PRO 143.A O no hydrogen 2.749 N/A TYR 153.A N THR 150.A O no hydrogen 3.185 N/A THR 154.A OG1 LYS 151.A O no hydrogen 3.335 N/A ALA 155.A N LYS 151.A O no hydrogen 2.971 N/A GLN 156.A N ALA 152.A O no hydrogen 2.926 N/A GLN 156.A NE2 GLN 97.A OE1 no hydrogen 2.962 N/A ILE 157.A N TYR 153.A O no hydrogen 3.066 N/A ALA 158.A N THR 154.A O no hydrogen 3.007 N/A VAL 159.A N ALA 155.A O no hydrogen 3.095 N/A LEU 160.A N GLN 156.A O no hydrogen 3.023 N/A SER 161.A N ILE 157.A O no hydrogen 2.940 N/A SER 161.A OG ALA 158.A O no hydrogen 2.758 N/A ILE 162.A N ALA 158.A O no hydrogen 3.089 N/A LEU 163.A N VAL 159.A O no hydrogen 2.957 N/A SER 164.A N LEU 160.A O no hydrogen 3.003 N/A SER 164.A OG LEU 160.A O no hydrogen 2.795 N/A GLN 165.A N SER 161.A O no hydrogen 2.950 N/A GLN 165.A NE2 ALA 173.A O no hydrogen 3.225 N/A ILE 166.A N ILE 162.A O no hydrogen 2.985 N/A VAL 167.A N LEU 163.A O no hydrogen 3.056 N/A ALA 168.A N SER 164.A O no hydrogen 2.884 N/A LYS 169.A N GLN 165.A O no hydrogen 3.031 N/A GLU 170.A N ILE 166.A O no hydrogen 3.204 N/A HIS 171.A N ALA 168.A O no hydrogen 3.051 N/A ALA 173.A N GLN 165.A OE1 no hydrogen 3.219 N/A ILE 175.A N ALA 173.A O no hydrogen 2.701 N/A ARG 179.A N ASP 176.A OD1 no hydrogen 3.271 N/A GLU 180.A N ASP 176.A O no hydrogen 2.925 N/A LEU 181.A N LEU 177.A O no hydrogen 2.756 N/A ALA 182.A N LEU 178.A O no hydrogen 3.028 N/A LYS 183.A N ARG 179.A O no hydrogen 3.057 N/A LYS 183.A NZ GLU 180.A OE1 no hydrogen 3.311 N/A VAL 184.A N GLU 180.A O no hydrogen 2.962 N/A THR 185.A N LEU 181.A O no hydrogen 2.897 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.878 N/A THR 186.A N ALA 182.A O no hydrogen 3.045 N/A THR 186.A OG1 ALA 182.A O no hydrogen 3.184 N/A ALA 187.A N LYS 183.A O no hydrogen 2.995 N/A ILE 188.A N VAL 184.A O no hydrogen 2.818 N/A GLU 189.A N THR 185.A O no hydrogen 2.982 N/A ALA 190.A N THR 186.A O no hydrogen 2.979 N/A ILE 191.A N ALA 187.A O no hydrogen 3.015 N/A VAL 192.A N ILE 188.A O no hydrogen 2.947 N/A ASP 193.A N GLU 189.A O no hydrogen 2.912 N/A ASP 194.A N ALA 190.A O no hydrogen 3.121 N/A ALA 195.A N VAL 192.A O no hydrogen 2.986 N/A ILE 197.A N ASP 194.A O no hydrogen 2.878 N/A GLN 199.A N PRO 196.A O no hydrogen 3.082 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.860 N/A ILE 200.A N ILE 197.A O no hydrogen 2.919 N/A THR 202.A N GLU 198.A O no hydrogen 3.044 N/A THR 202.A OG1 GLU 198.A O no hydrogen 3.280 N/A ASP 203.A N GLN 199.A O no hydrogen 2.825 N/A PHE 204.A N ILE 200.A O no hydrogen 3.009 N/A LEU 205.A N ALA 201.A O no hydrogen 2.896 N/A THR 208.A OG1 ASN 210.A O no hydrogen 2.632 N/A ARG 209.A NH2 THR 208.A OG1 no hydrogen 3.319 N/A ASN 210.A N THR 208.A OG1 no hydrogen 3.156 N/A ALA 211.A N GLN 237.A O no hydrogen 3.419 N/A PHE 212.A N PRO 259.A O no hydrogen 3.135 N/A PHE 213.A N GLU 239.A O no hydrogen 2.905 N/A ILE 214.A N VAL 261.A O no hydrogen 2.858 N/A GLY 215.A N PHE 241.A O no hydrogen 3.392 N/A ARG 216.A NE ASN 276.A OD1 no hydrogen 2.921 N/A ARG 216.A NH2 ASN 276.A OD1 no hydrogen 3.123 N/A THR 217.A OG1 ARG 216.A O no hydrogen 2.958 N/A ASP 219.A N ARG 216.A O no hydrogen 2.986 N/A TYR 220.A N THR 217.A O no hydrogen 2.929 N/A ASN 221.A N THR 217.A O no hydrogen 3.443 N/A VAL 222.A N ILE 218.A O no hydrogen 3.455 N/A SER 223.A N ASP 219.A O no hydrogen 2.977 N/A SER 223.A OG ASP 219.A O no hydrogen 2.834 N/A LEU 224.A N TYR 220.A O no hydrogen 3.151 N/A GLY 226.A N VAL 222.A O no hydrogen 2.893 N/A ALA 227.A N SER 223.A O no hydrogen 2.981 N/A LEU 228.A N LEU 224.A O no hydrogen 3.104 N/A LYS 229.A N GLU 225.A O no hydrogen 2.961 N/A LYS 229.A NZ SER 149.A O no hydrogen 2.529 N/A LYS 229.A NZ GLU 225.A OE2 no hydrogen 3.017 N/A LYS 229.A NZ GLU 232.A OE1 no hydrogen 3.379 N/A LEU 230.A N GLY 226.A O no hydrogen 2.997 N/A LYS 231.A N ALA 227.A O no hydrogen 3.055 N/A GLU 232.A N LEU 228.A O no hydrogen 2.920 N/A ILE 233.A N LYS 229.A O no hydrogen 3.245 N/A SER 234.A N LEU 230.A O no hydrogen 2.893 N/A SER 234.A OG LEU 230.A O no hydrogen 2.561 N/A TYR 235.A N LYS 231.A O no hydrogen 3.014 N/A ILE 236.A N SER 234.A OG no hydrogen 3.157 N/A GLN 237.A N ARG 209.A O no hydrogen 3.009 N/A ALA 238.A N ILE 236.A O no hydrogen 2.962 N/A GLU 239.A N ALA 211.A O no hydrogen 3.037 N/A PHE 241.A N PHE 213.A O no hydrogen 2.931 N/A GLY 243.A N GLY 215.A O no hydrogen 2.971 N/A GLU 245.A N ALA 242.A O no hydrogen 2.936 N/A HIS 248.A N GLU 245.A O no hydrogen 3.291 N/A THR 250.A N HIS 248.A O no hydrogen 2.606 N/A ILE 251.A N LEU 246.A O no hydrogen 2.872 N/A ALA 252.A N GLY 249.A O no hydrogen 2.825 N/A LEU 253.A N THR 250.A O no hydrogen 2.755 N/A ILE 254.A N ILE 251.A O no hydrogen 3.206 N/A GLU 255.A N THR 258.A OG1 no hydrogen 2.910 N/A GLY 257.A N GLY 284.A O no hydrogen 2.911 N/A THR 258.A N GLU 255.A O no hydrogen 3.061 N/A THR 258.A OG1 GLU 255.A O no hydrogen 3.267 N/A VAL 260.A N HIS 286.A O no hydrogen 3.131 N/A VAL 261.A N PHE 212.A O no hydrogen 2.792 N/A ALA 262.A N CYS 288.A O no hydrogen 2.860 N/A LEU 263.A N ILE 214.A O no hydrogen 2.969 N/A ALA 264.A N ILE 290.A O no hydrogen 2.883 N/A THR 265.A N ASP 219.A OD2 no hydrogen 2.849 N/A THR 265.A OG1 ASP 219.A OD1 no hydrogen 2.533 N/A THR 265.A OG1 ASP 219.A OD2 no hydrogen 3.313 N/A THR 265.A OG1 GLN 266.A OE1 no hydrogen 3.194 N/A THR 265.A OG1 THR 311.A OG1 no hydrogen 2.719 N/A ASN 270.A N GLU 267.A O no hydrogen 3.313 N/A ASN 270.A ND2 LEU 294.A O no hydrogen 3.121 N/A ILE 273.A N VAL 269.A O no hydrogen 2.814 N/A ARG 274.A N ASN 270.A O no hydrogen 3.113 N/A ARG 274.A NE ASN 270.A OD1 no hydrogen 2.842 N/A ARG 274.A NH1 ASP 299.A OD1 no hydrogen 2.777 N/A ARG 274.A NH2 LEU 294.A O no hydrogen 2.972 N/A ARG 274.A NH2 ASP 299.A OD2 no hydrogen 2.882 N/A GLY 275.A N LEU 271.A O no hydrogen 2.995 N/A ASN 276.A N SER 272.A O no hydrogen 3.062 N/A ASN 276.A ND2 GLU 279.A OE1 no hydrogen 3.043 N/A VAL 277.A N ILE 273.A O no hydrogen 2.894 N/A LYS 278.A N ARG 274.A O no hydrogen 2.986 N/A GLU 279.A N GLY 275.A O no hydrogen 3.178 N/A VAL 280.A N ASN 276.A O no hydrogen 3.242 N/A VAL 281.A N VAL 277.A O no hydrogen 2.902 N/A ALA 282.A N LYS 278.A O no hydrogen 2.904 N/A ARG 283.A N VAL 280.A O no hydrogen 2.955 N/A GLY 284.A N VAL 281.A O no hydrogen 3.150 N/A ALA 285.A N VAL 280.A O no hydrogen 3.130 N/A HIS 286.A N THR 258.A O no hydrogen 2.808 N/A CYS 288.A N VAL 260.A O no hydrogen 2.813 N/A ILE 290.A N ALA 262.A O no hydrogen 2.823 N/A SER 291.A N TYR 301.A O no hydrogen 2.971 N/A SER 291.A OG ASP 299.A OD2 no hydrogen 2.694 N/A GLY 293.A N GLU 295.A OE2 no hydrogen 2.827 N/A GLU 295.A N GLU 295.A OE2 no hydrogen 2.866 N/A LYS 296.A N ASP 299.A OD2 no hydrogen 3.040 N/A ASP 299.A N LYS 296.A O no hydrogen 3.161 N/A THR 300.A N ILE 289.A O no hydrogen 2.810 N/A TYR 301.A N ILE 289.A O no hydrogen 3.182 N/A TYR 301.A OH ASP 194.A OD2 no hydrogen 2.685 N/A ILE 303.A N SER 291.A O no hydrogen 2.817 N/A HIS 305.A N GLU 292.A OE1 no hydrogen 2.948 N/A LEU 309.A N HIS 307.A ND1 no hydrogen 3.065 N/A LEU 310.A N HIS 307.A O no hydrogen 2.793 N/A THR 311.A OG1 THR 265.A OG1 no hydrogen 2.719 N/A LEU 313.A N LEU 310.A O no hydrogen 2.971 N/A VAL 314.A N THR 311.A O no hydrogen 2.996 N/A SER 315.A N THR 311.A O no hydrogen 2.919 N/A SER 315.A OG THR 311.A O no hydrogen 3.231 N/A VAL 316.A N PRO 312.A O no hydrogen 3.155 N/A VAL 317.A N VAL 314.A O no hydrogen 3.139 N/A LEU 319.A N SER 315.A O no hydrogen 3.266 N/A GLN 320.A N VAL 316.A O no hydrogen 2.791 N/A GLN 320.A NE2 GLN 12.A OE1 no hydrogen 2.791 N/A LEU 321.A N VAL 317.A O no hydrogen 3.080 N/A ILE 322.A N ALA 318.A O no hydrogen 2.926 N/A SER 323.A N LEU 319.A O no hydrogen 2.950 N/A SER 323.A OG LEU 319.A O no hydrogen 2.908 N/A TYR 324.A N GLN 320.A O no hydrogen 2.918 N/A TYR 324.A OH TYR 2.A O no hydrogen 2.722 N/A TYR 325.A N LEU 321.A O no hydrogen 3.014 N/A ALA 326.A N ILE 322.A O no hydrogen 2.962 N/A ALA 327.A N SER 323.A O no hydrogen 2.963 N/A LEU 328.A N TYR 324.A O no hydrogen 2.940 N/A HIS 329.A N TYR 325.A O no hydrogen 2.914 N/A HIS 329.A NE2 GLU 198.A OE2 no hydrogen 2.766 N/A ARG 330.A N ALA 326.A O no hydrogen 3.103 N/A ARG 330.A N ALA 327.A O no hydrogen 3.211 N/A ARG 330.A NH1 LEU 205.A O no hydrogen 2.989 N/A ARG 330.A NH1 THR 208.A O no hydrogen 2.919 N/A ARG 330.A NH2 THR 208.A O no hydrogen 3.206 N/A ASP 331.A N ALA 327.A O no hydrogen 3.001 N/A ASP 331.A N LEU 328.A O no hydrogen 3.236 N/A