Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3slt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N HIS 1.A O no hydrogen 3.002 N/A LYS 6.A N HIS 2.A O no hydrogen 3.079 N/A LYS 6.A N HIS 3.A O no hydrogen 3.216 N/A GLU 7.A N HIS 3.A O no hydrogen 3.192 N/A ALA 8.A N ALA 4.A O no hydrogen 3.069 N/A THR 9.A N ASN 5.A O no hydrogen 3.063 N/A THR 9.A OG1 ASN 5.A O no hydrogen 2.657 N/A THR 9.A OG1 ASN 5.A OD1 no hydrogen 3.278 N/A ARG 10.A N LYS 6.A O no hydrogen 2.849 N/A ASN 11.A N GLU 7.A O no hydrogen 2.824 N/A ALA 12.A N ALA 8.A O no hydrogen 2.789 N/A ALA 13.A N THR 9.A O no hydrogen 3.015 N/A ALA 14.A N ARG 10.A O no hydrogen 3.071 N/A LEU 15.A N ASN 11.A O no hydrogen 3.061 N/A PHE 16.A N ALA 12.A O no hydrogen 2.908 N/A SER 17.A N ALA 13.A O no hydrogen 2.983 N/A SER 17.A OG ALA 14.A O no hydrogen 2.890 N/A VAL 18.A N LEU 15.A O no hydrogen 3.120 N/A ASP 19.A N PHE 16.A O no hydrogen 3.193 N/A LYS 21.A N SER 17.A O no hydrogen 3.177 N/A ALA 22.A N VAL 18.A O no hydrogen 2.845 N/A PHE 23.A N ASP 19.A O no hydrogen 3.252 N/A LEU 24.A N TYR 20.A O no hydrogen 3.084 N/A ASN 25.A N LYS 21.A O no hydrogen 2.787 N/A ASN 25.A N ALA 22.A O no hydrogen 3.178 N/A GLU 26.A N PHE 23.A O no hydrogen 3.165 N/A VAL 27.A N LEU 24.A O no hydrogen 3.319 N/A LEU 30.A N GLU 159.A OE1 no hydrogen 3.058 N/A LYS 32.A N ASN 29.A OD1 no hydrogen 2.800 N/A ARG 33.A N ASN 29.A O no hydrogen 2.977 N/A ARG 33.A NH1 ASP 125.A OD2 no hydrogen 2.929 N/A ARG 33.A NH2 ASP 125.A OD1 no hydrogen 3.139 N/A ARG 33.A NH2 ASP 125.A OD2 no hydrogen 3.534 N/A MET 34.A N LEU 30.A O no hydrogen 2.773 N/A GLY 35.A N ASN 31.A O no hydrogen 3.143 N/A ARG 38.A N ASP 36.A OD1 no hydrogen 3.104 N/A ARG 38.A NE ASP 36.A OD1 no hydrogen 2.936 N/A ALA 44.A N PHE 305.A O no hydrogen 2.941 N/A GLY 45.A N ASP 73.A O no hydrogen 2.914 N/A ALA 46.A N TYR 303.A O no hydrogen 3.174 N/A TRP 47.A N GLY 71.A O no hydrogen 2.976 N/A TRP 47.A NE1 TYR 113.A OH no hydrogen 2.854 N/A ALA 48.A N PHE 301.A O no hydrogen 2.967 N/A ARG 49.A N GLN 69.A O no hydrogen 2.816 N/A ARG 49.A NE ASN 298.A OD1 no hydrogen 2.871 N/A ARG 49.A NH1 GLN 69.A OE1 no hydrogen 2.594 N/A ARG 49.A NH2 ASN 298.A OD1 no hydrogen 3.154 N/A ILE 50.A N ALA 299.A O no hydrogen 2.918 N/A MET 51.A N HIS 67.A O no hydrogen 2.812 N/A SER 52.A N VAL 297.A O no hydrogen 3.026 N/A GLY 53.A N TYR 65.A O no hydrogen 3.093 N/A THR 54.A N ASN 295.A O no hydrogen 3.072 N/A THR 54.A OG1 ASP 63.A O no hydrogen 2.493 N/A GLY 55.A N ASP 63.A O no hydrogen 2.920 N/A SER 56.A N ASN 292.A O no hydrogen 3.073 N/A SER 56.A OG ASP 294.A OD2 no hydrogen 2.577 N/A ALA 57.A N PHE 61.A O no hydrogen 2.925 N/A SER 62.A N SER 97.A O no hydrogen 2.983 N/A ASP 63.A N GLY 55.A O no hydrogen 2.905 N/A ASN 64.A N SER 95.A O no hydrogen 3.116 N/A TYR 65.A N GLY 53.A O no hydrogen 2.826 N/A THR 66.A N ASP 93.A O no hydrogen 2.847 N/A HIS 67.A N MET 51.A O no hydrogen 2.706 N/A HIS 67.A ND1 THR 92.A OG1 no hydrogen 2.870 N/A VAL 68.A N HIS 91.A O no hydrogen 2.735 N/A GLN 69.A N ARG 49.A O no hydrogen 2.934 N/A GLN 69.A NE2 THR 88.A OG1 no hydrogen 3.069 N/A VAL 70.A N VAL 89.A O no hydrogen 3.020 N/A GLY 71.A N TRP 47.A O no hydrogen 3.038 N/A VAL 72.A N PHE 87.A O no hydrogen 3.152 N/A ASP 73.A N GLY 45.A O no hydrogen 2.917 N/A LYS 74.A N THR 85.A O no hydrogen 3.065 N/A LYS 75.A N GLU 43.A O no hydrogen 2.883 N/A LYS 75.A NZ ILE 40.A O no hydrogen 2.640 N/A LYS 75.A NZ ASN 41.A O no hydrogen 3.247 N/A LYS 75.A NZ GLY 42.A O no hydrogen 3.398 N/A LYS 75.A NZ GLU 77.A OE2 no hydrogen 2.830 N/A HIS 76.A N LEU 83.A O no hydrogen 2.867 N/A HIS 76.A NE2 THR 85.A OG1 no hydrogen 2.837 N/A LEU 78.A N LEU 81.A O no hydrogen 2.873 N/A LEU 81.A N LEU 78.A O no hydrogen 3.432 N/A ASP 82.A N MET 117.A O no hydrogen 2.957 N/A LEU 83.A N HIS 76.A O no hydrogen 3.045 N/A PHE 84.A N SER 115.A O no hydrogen 2.742 N/A THR 85.A N LYS 74.A O no hydrogen 2.967 N/A THR 85.A OG1 HIS 76.A NE2 no hydrogen 2.837 N/A GLY 86.A N TYR 113.A O no hydrogen 3.096 N/A PHE 87.A N VAL 72.A O no hydrogen 3.083 N/A THR 88.A N GLY 111.A O no hydrogen 2.987 N/A THR 88.A OG1 VAL 70.A O no hydrogen 2.973 N/A VAL 89.A N VAL 70.A O no hydrogen 3.035 N/A THR 90.A N GLY 109.A O no hydrogen 3.128 N/A HIS 91.A N VAL 68.A O no hydrogen 2.647 N/A HIS 91.A NE2 ASP 93.A OD2 no hydrogen 2.787 N/A THR 92.A N SER 107.A O no hydrogen 2.979 N/A THR 92.A OG1 GLU 26.A OE2 no hydrogen 2.553 N/A THR 92.A OG1 HIS 67.A ND1 no hydrogen 2.870 N/A ASP 93.A N THR 66.A O no hydrogen 3.079 N/A SER 94.A N THR 105.A O no hydrogen 2.882 N/A SER 94.A OG THR 105.A O no hydrogen 3.457 N/A SER 95.A N ASN 64.A O no hydrogen 2.976 N/A SER 95.A OG ASN 64.A OD1 no hydrogen 3.232 N/A ALA 96.A N GLY 103.A O no hydrogen 3.021 N/A SER 97.A N SER 62.A O no hydrogen 3.074 N/A ALA 98.A N PHE 101.A O no hydrogen 2.872 N/A ASP 99.A N GLY 59.A O no hydrogen 3.222 N/A SER 102.A N THR 138.A O no hydrogen 2.923 N/A GLY 103.A N ALA 96.A O no hydrogen 3.003 N/A LYS 104.A N GLU 136.A O no hydrogen 2.853 N/A THR 105.A N SER 94.A O no hydrogen 2.968 N/A THR 105.A OG1 ASN 135.A OD1 no hydrogen 2.708 N/A THR 105.A OG1 TYR 137.A OH no hydrogen 2.776 N/A LYS 106.A N ASP 134.A O no hydrogen 2.885 N/A SER 107.A N THR 92.A O no hydrogen 2.746 N/A SER 107.A OG HIS 133.A ND1 no hydrogen 2.645 N/A VAL 108.A N HIS 132.A O no hydrogen 3.056 N/A GLY 109.A N THR 90.A O no hydrogen 3.055 N/A ALA 110.A N TYR 130.A O no hydrogen 2.934 N/A GLY 111.A N THR 88.A O no hydrogen 2.899 N/A LEU 112.A N GLY 128.A O no hydrogen 2.911 N/A TYR 113.A N GLY 86.A O no hydrogen 3.017 N/A TYR 113.A OH ASP 73.A OD2 no hydrogen 2.330 N/A ALA 114.A N LEU 126.A O no hydrogen 3.063 N/A SER 115.A N PHE 84.A O no hydrogen 2.778 N/A SER 115.A OG ASP 125.A OD1 no hydrogen 2.762 N/A ALA 116.A N ILE 124.A O no hydrogen 2.650 N/A MET 117.A N ASP 82.A O no hydrogen 2.930 N/A PHE 118.A N ALA 122.A O no hydrogen 2.899 N/A ASP 119.A N GLY 80.A O no hydrogen 2.884 N/A GLY 121.A N PHE 118.A O no hydrogen 2.899 N/A ALA 122.A N SER 120.A OG no hydrogen 3.309 N/A TYR 123.A N GLY 161.A O no hydrogen 3.066 N/A TYR 123.A OH GLU 159.A OE2 no hydrogen 2.642 N/A ILE 124.A N ALA 116.A O no hydrogen 2.960 N/A ASP 125.A N GLU 159.A O no hydrogen 2.962 N/A LEU 126.A N ALA 114.A O no hydrogen 2.907 N/A ILE 127.A N GLY 157.A O no hydrogen 2.996 N/A GLY 128.A N LEU 112.A O no hydrogen 3.007 N/A LYS 129.A N TYR 155.A O.A no hydrogen 3.055 N/A LYS 129.A N TYR 155.A O.B no hydrogen 2.946 N/A LYS 129.A NZ GLU 26.A O no hydrogen 2.930 N/A TYR 130.A N ALA 110.A O no hydrogen 2.887 N/A VAL 131.A N SER 153.A O no hydrogen 2.925 N/A HIS 132.A N VAL 108.A O no hydrogen 2.803 N/A HIS 132.A NE2 ASP 134.A OD1 no hydrogen 3.101 N/A HIS 133.A N THR 151.A O no hydrogen 2.723 N/A HIS 133.A ND1 SER 107.A OG no hydrogen 2.645 N/A ASP 134.A N LYS 106.A O no hydrogen 2.884 N/A ASN 135.A N TYR 149.A O no hydrogen 2.819 N/A ASN 135.A ND2 TYR 149.A O no hydrogen 3.129 N/A ASN 135.A ND2 THR 151.A OG1 no hydrogen 3.370 N/A GLU 136.A N LYS 104.A O no hydrogen 2.896 N/A TYR 137.A N ARG 147.A O no hydrogen 2.995 N/A TYR 137.A OH THR 105.A OG1 no hydrogen 2.776 N/A THR 138.A N SER 102.A O no hydrogen 2.601 N/A THR 138.A OG1 THR 146.A OG1 no hydrogen 2.797 N/A ALA 139.A N GLY 145.A O no hydrogen 3.276 N/A THR 140.A N VAL 100.A O no hydrogen 3.361 N/A GLY 143.A N THR 140.A O no hydrogen 3.483 N/A LEU 144.A N PHE 141.A O no hydrogen 3.323 N/A THR 146.A OG1 THR 138.A OG1 no hydrogen 2.797 N/A ARG 147.A N TYR 137.A O no hydrogen 2.847 N/A ARG 147.A NE LEU 144.A O no hydrogen 3.042 N/A ARG 147.A NH2 LEU 144.A O no hydrogen 3.260 N/A TYR 149.A N ASN 135.A O no hydrogen 2.887 N/A SER 150.A OG ASP 134.A OD1 no hydrogen 3.415 N/A THR 151.A N HIS 133.A O no hydrogen 2.872 N/A HIS 152.A N SER 184.A OG no hydrogen 3.099 N/A SER 153.A N VAL 131.A O no hydrogen 2.777 N/A SER 153.A OG SER 182.A O no hydrogen 3.273 N/A TYR 155.A N.A LYS 129.A O no hydrogen 2.882 N/A TYR 155.A N.B LYS 129.A O no hydrogen 2.993 N/A TYR 155.A OH.A PHE 23.A O no hydrogen 2.668 N/A ALA 156.A N TYR 180.A O no hydrogen 2.818 N/A GLY 157.A N ILE 127.A O no hydrogen 2.899 N/A ALA 158.A N LEU 178.A O no hydrogen 2.778 N/A GLU 159.A N ASP 125.A O no hydrogen 2.923 N/A ALA 160.A N ALA 176.A O no hydrogen 2.932 N/A GLY 161.A N TYR 123.A O no hydrogen 3.209 N/A TYR 162.A N PRO 174.A O no hydrogen 3.203 N/A ARG 163.A N GLY 121.A O no hydrogen 2.885 N/A ARG 163.A NE GLU 173.A OE1 no hydrogen 3.040 N/A TYR 164.A N ILE 172.A O no hydrogen 2.898 N/A THR 167.A N ALA 170.A O no hydrogen 3.370 N/A THR 167.A OG1 ASP 169.A OD1 no hydrogen 2.659 N/A ASP 169.A N THR 167.A OG1 no hydrogen 3.260 N/A ALA 170.A N THR 167.A OG1 no hydrogen 2.642 N/A TRP 171.A N GLY 216.A O no hydrogen 2.885 N/A ILE 172.A N TYR 164.A O no hydrogen 3.117 N/A GLU 173.A N ASP 214.A O no hydrogen 2.731 N/A GLN 175.A N GLY 212.A O no hydrogen 2.812 N/A ALA 176.A N ALA 160.A O no hydrogen 2.936 N/A GLU 177.A N ARG 210.A O no hydrogen 2.837 N/A LEU 178.A N ALA 158.A O no hydrogen 2.857 N/A VAL 179.A N ILE 208.A O no hydrogen 3.037 N/A TYR 180.A N ALA 156.A O no hydrogen 2.751 N/A GLY 181.A N PRO 206.A O no hydrogen 2.985 N/A SER 182.A N TRP 154.A O no hydrogen 3.163 N/A VAL 183.A N TYR 204.A O no hydrogen 2.903 N/A SER 184.A N HIS 152.A O no hydrogen 3.303 N/A GLY 185.A N ASP 203.A OD1 no hydrogen 2.603 N/A LYS 186.A N ASP 201.A OD1 no hydrogen 2.711 N/A PHE 188.A N MET 199.A O no hydrogen 2.778 N/A TRP 190.A N LEU 197.A O no hydrogen 3.174 N/A TRP 190.A NE1 ALA 142.A O no hydrogen 3.268 N/A ASP 192.A N MET 195.A O no hydrogen 2.963 N/A MET 195.A N ASP 192.A O no hydrogen 3.117 N/A LEU 197.A N TRP 190.A O no hydrogen 2.814 N/A MET 199.A N PHE 188.A O no hydrogen 3.012 N/A LYS 200.A N VAL 245.A O no hydrogen 3.077 N/A ASP 201.A N LYS 186.A O no hydrogen 3.037 N/A LYS 202.A N GLU 243.A O no hydrogen 3.381 N/A LYS 202.A NZ ASP 203.A O no hydrogen 2.980 N/A LYS 202.A NZ ASN 241.A O no hydrogen 3.212 N/A TYR 204.A N VAL 183.A O no hydrogen 3.032 N/A ASN 205.A N ASN 241.A OD1 no hydrogen 2.826 N/A ASN 205.A ND2 GLY 181.A O no hydrogen 3.055 N/A ILE 208.A N VAL 179.A O no hydrogen 2.858 N/A GLY 209.A N PHE 236.A O no hydrogen 2.984 N/A ARG 210.A N GLU 177.A O no hydrogen 2.783 N/A ARG 210.A NE GLU 177.A OE2 no hydrogen 3.355 N/A ARG 210.A NH1 GLN 175.A OE1 no hydrogen 2.931 N/A ARG 210.A NH2 GLU 159.A OE2 no hydrogen 3.307 N/A ARG 210.A NH2 GLN 175.A OE1 no hydrogen 3.436 N/A ARG 210.A NH2 GLU 177.A OE2 no hydrogen 2.872 N/A THR 211.A N TYR 234.A O no hydrogen 3.064 N/A GLY 212.A N GLN 175.A O no hydrogen 2.989 N/A VAL 213.A N LEU 232.A O no hydrogen 2.823 N/A ASP 214.A N GLU 173.A O no hydrogen 2.923 N/A VAL 215.A N ALA 230.A O no hydrogen 3.054 N/A GLY 216.A N TRP 171.A O no hydrogen 2.915 N/A LYS 217.A N ALA 228.A O no hydrogen 3.068 N/A LYS 217.A NZ ASP 169.A OD1 no hydrogen 2.748 N/A LYS 217.A NZ ASP 169.A OD2 no hydrogen 2.754 N/A SER 218.A N ASP 169.A O no hydrogen 2.949 N/A PHE 219.A N VAL 226.A O no hydrogen 2.709 N/A GLY 221.A N TRP 224.A O no hydrogen 2.984 N/A LYS 225.A N GLU 272.A O no hydrogen 2.780 N/A VAL 226.A N PHE 219.A O no hydrogen 2.813 N/A THR 227.A N ASN 270.A O no hydrogen 3.089 N/A ALA 228.A N LYS 217.A O no hydrogen 3.007 N/A ARG 229.A N GLY 268.A O no hydrogen 2.823 N/A ARG 229.A NE ASP 214.A OD2 no hydrogen 3.405 N/A ARG 229.A NH1 ASN 270.A OD1 no hydrogen 2.984 N/A ARG 229.A NH2 ASP 214.A OD2 no hydrogen 3.040 N/A ALA 230.A N VAL 215.A O no hydrogen 3.085 N/A GLY 231.A N SER 266.A O no hydrogen 3.091 N/A LEU 232.A N VAL 213.A O no hydrogen 2.960 N/A GLY 233.A N LEU 264.A O no hydrogen 2.862 N/A TYR 234.A N THR 211.A O no hydrogen 2.730 N/A TYR 234.A OH SER 261.A OG no hydrogen 3.421 N/A GLN 235.A N ARG 262.A O no hydrogen 3.022 N/A PHE 236.A N GLY 209.A O no hydrogen 3.053 N/A ASP 237.A N ASP 260.A O no hydrogen 2.915 N/A LEU 238.A N LEU 207.A O no hydrogen 2.912 N/A THR 244.A N ILE 255.A O no hydrogen 2.887 N/A VAL 245.A N LYS 200.A O no hydrogen 2.778 N/A LEU 246.A N LYS 253.A O no hydrogen 2.638 N/A ARG 247.A N SER 198.A O no hydrogen 3.162 N/A ASP 248.A N GLY 251.A O no hydrogen 2.937 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.308 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.410 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 3.236 N/A ARG 254.A NE GLU 243.A OE2 no hydrogen 2.798 N/A ARG 254.A NH2 GLU 252.A OE2 no hydrogen 3.522 N/A ILE 255.A N THR 244.A O no hydrogen 2.765 N/A GLY 257.A N GLY 242.A O no hydrogen 2.959 N/A LYS 259.A NZ LEU 238.A O no hydrogen 3.214 N/A ASP 260.A N ASP 237.A OD2 no hydrogen 2.875 N/A SER 261.A N ASP 260.A OD1 no hydrogen 2.860 N/A SER 261.A OG TYR 234.A OH no hydrogen 3.421 N/A ARG 262.A N GLN 235.A O no hydrogen 2.874 N/A ARG 262.A NE TYR 291.A O no hydrogen 2.828 N/A ARG 262.A NH1 GLN 235.A OE1 no hydrogen 2.856 N/A ARG 262.A NH2 ASP 260.A OD2 no hydrogen 2.823 N/A MET 263.A N ALA 287.A O no hydrogen 2.784 N/A LEU 264.A N GLY 233.A O no hydrogen 2.723 N/A MET 265.A N LYS 285.A O no hydrogen 2.941 N/A SER 266.A N GLY 231.A O no hydrogen 3.073 N/A SER 266.A OG GLU 282.A OE1 no hydrogen 2.961 N/A VAL 267.A N PHE 283.A O no hydrogen 3.073 N/A GLY 268.A N ARG 229.A O no hydrogen 2.857 N/A LEU 269.A N LEU 281.A O no hydrogen 2.752 N/A ASN 270.A N THR 227.A O no hydrogen 3.155 N/A ASN 270.A ND2 ASN 31.A OD1 no hydrogen 3.359 N/A ALA 271.A N PHE 279.A O no hydrogen 2.585 N/A GLU 272.A N LYS 225.A O no hydrogen 2.824 N/A ILE 273.A N VAL 277.A O no hydrogen 3.142 N/A ARG 274.A N ASP 223.A O no hydrogen 2.609 N/A ASN 276.A ND2 SER 304.A O no hydrogen 2.790 N/A ARG 278.A N ARG 302.A O no hydrogen 2.972 N/A ARG 278.A NH1 ASP 36.A O no hydrogen 2.824 N/A ARG 278.A NH1 ARG 38.A O no hydrogen 2.787 N/A ARG 278.A NH2 ARG 38.A O no hydrogen 2.958 N/A PHE 279.A N ALA 271.A O no hydrogen 2.980 N/A GLY 280.A N ASN 300.A O no hydrogen 3.053 N/A LEU 281.A N LEU 269.A O no hydrogen 2.661 N/A GLU 282.A N ASN 298.A O no hydrogen 3.041 N/A PHE 283.A N VAL 267.A O no hydrogen 2.820 N/A GLU 284.A N ALA 296.A O no hydrogen 3.007 N/A LYS 285.A N MET 265.A O no hydrogen 3.053 N/A SER 286.A N VAL 293.A O no hydrogen 3.044 N/A SER 286.A OG ASN 292.A OD1 no hydrogen 2.807 N/A ALA 287.A N MET 263.A O no hydrogen 2.837 N/A GLY 289.A N ASN 292.A OD1 no hydrogen 3.069 N/A LYS 290.A N ASP 260.A OD1 no hydrogen 3.110 N/A TYR 291.A N ASP 260.A OD2 no hydrogen 3.027 N/A TYR 291.A OH ASP 63.A OD1 no hydrogen 2.530 N/A TYR 291.A OH ASP 63.A OD2 no hydrogen 3.216 N/A ASN 292.A N SER 56.A O no hydrogen 3.180 N/A ASN 292.A ND2 GLY 289.A O no hydrogen 2.632 N/A ASP 294.A N THR 54.A O no hydrogen 2.735 N/A ASN 295.A N THR 54.A O no hydrogen 3.364 N/A ALA 296.A N GLU 284.A O no hydrogen 3.043 N/A VAL 297.A N SER 52.A O no hydrogen 2.881 N/A ASN 298.A N GLU 282.A O no hydrogen 3.112 N/A ASN 298.A ND2 LYS 32.A O no hydrogen 2.869 N/A ALA 299.A N ILE 50.A O no hydrogen 2.821 N/A ASN 300.A N GLY 280.A O no hydrogen 3.040 N/A ASN 300.A ND2 ASN 31.A O no hydrogen 3.229 N/A ASN 300.A ND2 LYS 32.A O no hydrogen 3.116 N/A PHE 301.A N ALA 48.A O no hydrogen 2.916 N/A ARG 302.A N ARG 278.A O no hydrogen 2.964 N/A ARG 302.A NE SER 304.A OG no hydrogen 2.897 N/A ARG 302.A NH1 ASP 73.A OD2 no hydrogen 3.200 N/A ARG 302.A NH2 ASP 73.A OD1 no hydrogen 2.960 N/A TYR 303.A N ALA 46.A O no hydrogen 2.882 N/A SER 304.A N ASN 276.A O no hydrogen 2.801 N/A PHE 305.A N ALA 44.A O no hydrogen 3.102 N/A