Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rby_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 LEU 2.A O no hydrogen 3.375 N/A LEU 2.A N ASP 59.A O no hydrogen 3.327 N/A ALA 6.A N THR 273.A O no hydrogen 2.851 N/A SER 7.A N GLY 127.A O no hydrogen 2.849 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.811 N/A ARG 12.A N GLU 9.A O no hydrogen 2.965 N/A ARG 12.A NH1 ASP 16.A OD1 no hydrogen 2.932 N/A SER 13.A N ASP 16.A OD2 no hydrogen 2.911 N/A TYR 14.A OH ILE 283.A O no hydrogen 2.777 N/A ASP 16.A N SER 13.A O no hydrogen 2.939 N/A PHE 17.A N SER 13.A O no hydrogen 3.386 N/A GLN 18.A N TYR 14.A O no hydrogen 2.843 N/A LYS 19.A N GLU 15.A O no hydrogen 3.071 N/A VAL 20.A N ASP 16.A O no hydrogen 3.242 N/A TYR 21.A N PHE 17.A O no hydrogen 2.858 N/A TYR 21.A OH GLU 116.A OE2 no hydrogen 2.689 N/A ASN 22.A N GLN 18.A O no hydrogen 2.830 N/A ASN 22.A ND2 GLN 18.A OE1 no hydrogen 2.958 N/A ASN 22.A ND2 GLN 290.A OE1 no hydrogen 2.888 N/A ALA 23.A N LYS 19.A O no hydrogen 2.954 N/A ILE 24.A N VAL 20.A O no hydrogen 2.977 N/A ALA 25.A N TYR 21.A O no hydrogen 2.823 N/A LEU 26.A N ASN 22.A O no hydrogen 2.803 N/A LYS 27.A N ALA 23.A O no hydrogen 3.089 N/A LYS 27.A NZ ASP 31.A OD2 no hydrogen 2.898 N/A LEU 28.A N ILE 24.A O no hydrogen 2.869 N/A ARG 29.A N ALA 25.A O no hydrogen 3.119 N/A ARG 29.A NH1 LEU 292.A O no hydrogen 3.562 N/A ARG 29.A NH1 LEU 292.A OXT no hydrogen 2.702 N/A ARG 29.A NH2 LEU 292.A O no hydrogen 2.884 N/A ARG 29.A NH2 LEU 292.A OXT no hydrogen 3.549 N/A GLU 30.A N LEU 26.A O no hydrogen 2.921 N/A ASP 31.A N LYS 27.A O no hydrogen 2.905 N/A TYR 37.A N GLU 33.A O no hydrogen 2.927 N/A ILE 38.A N ASP 35.A O no hydrogen 3.132 N/A GLY 39.A N TYR 34.A O no hydrogen 2.919 N/A LEU 44.A N TYR 40.A O no hydrogen 3.092 N/A VAL 45.A N GLY 41.A O no hydrogen 3.044 N/A ARG 46.A N PRO 42.A O no hydrogen 2.938 N/A ARG 46.A NH1 SER 79.A O no hydrogen 3.562 N/A LEU 47.A N VAL 43.A O no hydrogen 2.852 N/A ALA 48.A N LEU 44.A O no hydrogen 3.027 N/A TRP 49.A N VAL 45.A O no hydrogen 3.082 N/A HIS 50.A N ARG 46.A O no hydrogen 2.811 N/A HIS 50.A ND1 ASN 80.A OD1 no hydrogen 2.693 N/A ILE 51.A N LEU 47.A O no hydrogen 2.959 N/A SER 52.A N TRP 49.A O no hydrogen 3.100 N/A SER 52.A OG ALA 48.A O no hydrogen 2.919 N/A GLY 53.A N TRP 49.A O no hydrogen 2.701 N/A THR 54.A OG1 ILE 51.A O no hydrogen 3.560 N/A TRP 55.A N SER 52.A O no hydrogen 3.199 N/A TRP 55.A NE1 ASN 60.A OD1 no hydrogen 2.694 N/A ASP 56.A N THR 61.A O no hydrogen 2.991 N/A LYS 57.A N ARG 158.A O no hydrogen 3.133 N/A LYS 57.A NZ GLN 157.A O no hydrogen 2.933 N/A HIS 58.A N ASP 56.A OD1 no hydrogen 2.954 N/A HIS 58.A ND1 ASP 56.A OD1 no hydrogen 2.735 N/A ASP 59.A N ASP 56.A O no hydrogen 3.372 N/A ASN 60.A N ASP 56.A O no hydrogen 2.853 N/A ASN 60.A ND2 LEU 2.A O no hydrogen 2.858 N/A ASN 60.A ND2 GLY 271.A O no hydrogen 3.099 N/A THR 61.A N ASP 59.A OD1 no hydrogen 3.101 N/A THR 61.A OG1 ASP 59.A OD1 no hydrogen 2.699 N/A THR 61.A OG1 ASP 59.A OD2 no hydrogen 3.527 N/A GLY 63.A N THR 54.A OG1 no hydrogen 2.923 N/A SER 64.A OG LEU 268.A O no hydrogen 2.800 N/A TYR 65.A OH VAL 5.A O no hydrogen 2.754 N/A GLY 67.A N SER 64.A O no hydrogen 3.332 N/A THR 68.A OG1 GLU 74.A OE1 no hydrogen 2.616 N/A ARG 70.A N GLY 67.A O no hydrogen 3.318 N/A ARG 70.A NH1 GLY 66.A O no hydrogen 2.919 N/A ARG 70.A NH1 GLY 67.A O no hydrogen 2.927 N/A ARG 70.A NH1 THR 131.A O no hydrogen 3.554 N/A ARG 70.A NH2 THR 131.A O no hydrogen 2.808 N/A PHE 71.A N THR 68.A O no hydrogen 2.893 N/A LYS 72.A NZ GLU 133.A OE2 no hydrogen 3.224 N/A LYS 73.A NZ THR 136.A O no hydrogen 2.895 N/A LYS 73.A NZ ASP 138.A OD1 no hydrogen 2.795 N/A GLU 74.A N PHE 71.A O no hydrogen 3.044 N/A PHE 75.A N.A PHE 71.A O no hydrogen 3.036 N/A PHE 75.A N.B PHE 71.A O no hydrogen 2.964 N/A ASN 76.A N LYS 72.A O no hydrogen 2.907 N/A ASP 77.A N GLU 74.A O no hydrogen 3.060 N/A SER 79.A N ASP 77.A OD1 no hydrogen 3.002 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 3.431 N/A ASN 80.A N ASP 77.A O no hydrogen 2.781 N/A ASN 80.A ND2 GLU 74.A O no hydrogen 2.929 N/A ALA 81.A N PRO 78.A O no hydrogen 3.227 N/A GLY 82.A N GLN 84.A OE1 no hydrogen 2.804 N/A LEU 83.A N ASN 80.A O no hydrogen 2.944 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 2.814 N/A ASN 85.A N GLY 82.A O no hydrogen 3.208 N/A ASN 85.A ND2 GLY 82.A O no hydrogen 3.097 N/A GLY 86.A N LEU 83.A O no hydrogen 2.856 N/A PHE 87.A N LEU 83.A O no hydrogen 3.034 N/A LYS 88.A N GLN 84.A O no hydrogen 2.860 N/A PHE 89.A N ASN 85.A O no hydrogen 3.133 N/A LEU 90.A N GLY 86.A O no hydrogen 3.034 N/A GLU 91.A N LYS 88.A O no hydrogen 3.315 N/A HIS 94.A N LEU 90.A O no hydrogen 2.934 N/A LYS 95.A N GLU 91.A O no hydrogen 2.990 N/A GLU 96.A N PRO 92.A O no hydrogen 3.047 N/A PHE 97.A N ILE 93.A O no hydrogen 2.951 N/A ILE 100.A N PHE 97.A O no hydrogen 3.205 N/A SER 101.A N GLU 9.A OE2 no hydrogen 3.173 N/A SER 101.A OG GLU 9.A OE2 no hydrogen 3.441 N/A SER 101.A OG ARG 128.A O no hydrogen 2.715 N/A SER 102.A N ASP 130.A OD1 no hydrogen 2.837 N/A SER 102.A OG ASP 130.A OD2 no hydrogen 3.292 N/A ASP 104.A N SER 101.A OG no hydrogen 3.183 N/A LEU 105.A N SER 101.A O no hydrogen 2.935 N/A PHE 106.A N SER 102.A O no hydrogen 2.830 N/A SER 107.A N GLY 103.A O no hydrogen 3.014 N/A SER 107.A OG GLY 103.A O no hydrogen 2.828 N/A SER 107.A OG ASP 104.A O no hydrogen 3.193 N/A LEU 108.A N ASP 104.A O no hydrogen 2.860 N/A GLY 109.A N LEU 105.A O no hydrogen 2.874 N/A GLY 110.A N PHE 106.A O no hydrogen 3.416 N/A VAL 111.A N SER 107.A O no hydrogen 3.140 N/A THR 112.A N LEU 108.A O no hydrogen 2.831 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.800 N/A ALA 113.A N GLY 109.A O no hydrogen 2.948 N/A VAL 114.A N GLY 110.A O no hydrogen 2.968 N/A GLN 115.A N VAL 111.A O no hydrogen 3.036 N/A GLN 115.A NE2 TYR 21.A OH no hydrogen 3.220 N/A GLN 115.A NE2 PHE 284.A O no hydrogen 2.982 N/A GLU 116.A N THR 112.A O no hydrogen 2.844 N/A MET 117.A N ALA 113.A O no hydrogen 2.975 N/A GLN 118.A N GLN 115.A O no hydrogen 2.963 N/A GLY 119.A N VAL 114.A O no hydrogen 2.880 N/A LYS 121.A NZ.A GLU 289.A OE1 no hydrogen 3.455 N/A LYS 121.A NZ.A GLU 289.A OE2 no hydrogen 2.809 N/A LYS 121.A NZ.B PHE 284.A O no hydrogen 2.809 N/A LYS 121.A NZ.B GLU 289.A OE1 no hydrogen 2.751 N/A LYS 121.A NZ.B GLU 289.A OE2 no hydrogen 3.518 N/A ILE 122.A N GLN 115.A OE1 no hydrogen 2.926 N/A TRP 124.A N PHE 282.A O no hydrogen 2.900 N/A TRP 124.A NE1 SER 107.A OG no hydrogen 2.948 N/A ARG 125.A NH2 PRO 279.A O no hydrogen 3.059 N/A GLY 127.A N ASP 104.A OD2 no hydrogen 2.865 N/A ARG 128.A N ASP 104.A OD1 no hydrogen 3.026 N/A ARG 128.A NE SER 64.A OG no hydrogen 2.931 N/A ARG 128.A NE LEU 268.A O no hydrogen 3.449 N/A ARG 128.A NH1 ASP 104.A OD1 no hydrogen 2.874 N/A ARG 128.A NH1 ARG 125.A O no hydrogen 2.789 N/A ARG 128.A NH2 LEU 268.A O no hydrogen 2.895 N/A THR 131.A N GLY 66.A O no hydrogen 3.003 N/A THR 131.A OG1 THR 135.A OG1 no hydrogen 2.711 N/A THR 135.A N PRO 132.A O no hydrogen 2.933 N/A THR 135.A OG1 THR 131.A OG1 no hydrogen 2.711 N/A THR 135.A OG1 PRO 132.A O no hydrogen 2.589 N/A THR 136.A N GLU 133.A O no hydrogen 3.105 N/A THR 136.A OG1 GLU 133.A O no hydrogen 2.838 N/A ASN 139.A ND2 LYS 73.A O no hydrogen 2.928 N/A ARG 141.A NH1 THR 54.A O no hydrogen 2.865 N/A ARG 141.A NH1 THR 61.A OG1 no hydrogen 2.837 N/A ARG 141.A NH2 THR 61.A OG1 no hydrogen 2.897 N/A ASP 144.A N TYR 151.A OH no hydrogen 2.909 N/A LYS 147.A NZ ASP 144.A OD2 no hydrogen 2.894 N/A LYS 147.A NZ ASP 146.A OD1 no hydrogen 2.828 N/A TYR 151.A N ASP 148.A OD1 no hydrogen 3.157 N/A VAL 152.A N ASP 148.A O no hydrogen 3.120 N/A ARG 153.A N ALA 149.A O no hydrogen 2.875 N/A ARG 153.A NE ASP 163.A OD1 no hydrogen 2.841 N/A ARG 153.A NH1 ASP 239.A OD2 no hydrogen 2.974 N/A ARG 153.A NH2 ASP 163.A OD1 no hydrogen 3.514 N/A ARG 153.A NH2 ASP 163.A OD2 no hydrogen 3.018 N/A ARG 153.A NH2 ASP 239.A OD1 no hydrogen 2.964 N/A THR 154.A N GLY 150.A O no hydrogen 3.040 N/A THR 154.A OG1 GLY 150.A O no hydrogen 3.079 N/A PHE 155.A N TYR 151.A O no hydrogen 2.792 N/A PHE 156.A N VAL 152.A O no hydrogen 3.049 N/A GLN 157.A N ARG 153.A O no hydrogen 3.306 N/A GLN 157.A N THR 154.A O no hydrogen 3.156 N/A ARG 158.A N PHE 155.A O no hydrogen 3.132 N/A ARG 158.A NE TRP 55.A O no hydrogen 2.828 N/A ARG 158.A NH1 ARG 141.A O no hydrogen 2.902 N/A ARG 158.A NH2 TRP 55.A O no hydrogen 2.925 N/A ARG 158.A NH2 ARG 141.A O no hydrogen 3.088 N/A LEU 159.A N PHE 156.A O no hydrogen 3.029 N/A ASN 160.A N GLN 157.A O no hydrogen 2.993 N/A MET 161.A N PHE 156.A O no hydrogen 3.057 N/A ASN 162.A N GLU 165.A OE1 no hydrogen 2.772 N/A ARG 164.A NH1.A GLU 248.A OE1.A no hydrogen 2.908 N/A ARG 164.A NH1.A GLU 248.A OE1.B no hydrogen 3.132 N/A ARG 164.A NH1.A GLU 248.A OE2.A no hydrogen 3.222 N/A ARG 164.A NH1.A TYR 249.A OH no hydrogen 3.227 N/A ARG 164.A NH1.A ASP 259.A OD2 no hydrogen 3.312 N/A ARG 164.A NH1.B GLU 248.A OE1.A no hydrogen 2.674 N/A ARG 164.A NH1.B GLU 248.A OE1.B no hydrogen 2.775 N/A ARG 164.A NH2.A GLU 248.A OE1.A no hydrogen 2.701 N/A ARG 164.A NH2.A GLU 248.A OE1.B no hydrogen 2.767 N/A ARG 164.A NH2.A GLU 248.A OE2.B no hydrogen 3.538 N/A ARG 164.A NH2.B GLU 248.A OE1.A no hydrogen 3.334 N/A ARG 164.A NH2.B GLU 248.A OE1.B no hydrogen 3.480 N/A ARG 164.A NH2.B GLU 248.A OE2.A no hydrogen 2.913 N/A ARG 164.A NH2.B ASP 259.A OD2 no hydrogen 2.948 N/A GLU 165.A N ASN 162.A OD1 no hydrogen 2.876 N/A VAL 166.A N ASN 162.A O no hydrogen 2.900 N/A VAL 167.A N ASP 163.A O no hydrogen 2.975 N/A ALA 168.A N ARG 164.A O no hydrogen 2.903 N/A LEU 169.A N GLU 165.A O no hydrogen 2.862 N/A MET 170.A N VAL 166.A O no hydrogen 2.970 N/A GLY 171.A N ALA 168.A O no hydrogen 3.048 N/A ALA 172.A N LEU 169.A O no hydrogen 3.125 N/A HIS 173.A N MET 170.A O no hydrogen 2.876 N/A HIS 173.A ND1 ASP 233.A OD1 no hydrogen 2.734 N/A ALA 174.A N GLY 171.A O no hydrogen 3.104 N/A LEU 175.A N ALA 172.A O no hydrogen 2.891 N/A GLY 176.A N ASN 193.A O no hydrogen 2.813 N/A LYS 177.A NZ THR 178.A O no hydrogen 2.982 N/A LYS 177.A NZ GLU 186.A OE2 no hydrogen 2.776 N/A THR 178.A N GLY 187.A O no hydrogen 2.909 N/A THR 178.A OG1 GLY 187.A O no hydrogen 3.136 N/A HIS 179.A NE2 ASP 35.A OD2 no hydrogen 2.654 N/A LEU 180.A N GLU 186.A OE1 no hydrogen 2.920 N/A ASN 182.A N HIS 179.A O no hydrogen 2.928 N/A SER 183.A N HIS 179.A O no hydrogen 3.141 N/A SER 183.A OG HIS 179.A O no hydrogen 3.538 N/A GLY 184.A N LEU 180.A O no hydrogen 2.897 N/A GLU 186.A N GLN 220.A OE1 no hydrogen 3.087 N/A GLY 187.A N THR 178.A O no hydrogen 3.025 N/A ALA 191.A N GLU 199.A OE1.B no hydrogen 3.133 N/A ALA 191.A N GLU 199.A OE2.A no hydrogen 2.922 N/A ALA 192.A N GLU 199.A OE1.A no hydrogen 3.203 N/A ALA 192.A N GLU 199.A OE2.B no hydrogen 2.774 N/A ASN 193.A ND2 GLY 176.A O no hydrogen 3.049 N/A ASN 194.A ND2 ILE 38.A O no hydrogen 2.854 N/A PHE 196.A N MET 117.A O no hydrogen 2.798 N/A ASN 198.A ND2 TYR 249.A O no hydrogen 2.916 N/A GLU 199.A N THR 197.A OG1 no hydrogen 3.066 N/A TYR 201.A N ASN 198.A O no hydrogen 3.171 N/A TYR 201.A OH VAL 167.A O no hydrogen 2.612 N/A LEU 202.A N ASN 198.A O no hydrogen 3.507 N/A ASN 203.A N GLU 199.A O no hydrogen 2.893 N/A ASN 203.A ND2 GLY 189.A O no hydrogen 2.851 N/A ASN 203.A ND2 GLU 199.A OE1.B no hydrogen 3.281 N/A LEU 204.A N PHE 200.A O no hydrogen 2.963 N/A LEU 205.A N TYR 201.A O no hydrogen 3.109 N/A ASN 206.A N LEU 202.A O no hydrogen 2.838 N/A GLU 207.A N ASN 203.A O no hydrogen 3.055 N/A TRP 209.A NE1 ASN 203.A O no hydrogen 3.050 N/A TRP 209.A NE1 LEU 204.A O no hydrogen 3.127 N/A LYS 210.A N ASP 222.A O no hydrogen 2.825 N/A LYS 210.A NZ ASP 208.A OD2 no hydrogen 3.348 N/A GLU 212.A N GLN 220.A O no hydrogen 2.887 N/A LYS 213.A NZ ASN 217.A OD1 no hydrogen 2.836 N/A ASN 214.A N ASN 218.A O no hydrogen 2.902 N/A ASN 214.A ND2 GLY 184.A O no hydrogen 2.809 N/A ASN 214.A ND2 GLN 220.A OE1 no hydrogen 2.842 N/A ALA 216.A N ASN 214.A OD1 no hydrogen 2.836 N/A ASN 217.A N ASN 214.A O no hydrogen 2.934 N/A ASN 218.A N ASN 214.A OD1 no hydrogen 3.124 N/A ASN 218.A ND2 GLY 184.A O no hydrogen 2.856 N/A GLN 220.A N GLU 212.A O no hydrogen 2.918 N/A GLN 220.A NE2 GLU 186.A O no hydrogen 2.893 N/A GLN 220.A NE2 ASP 222.A OD1 no hydrogen 2.888 N/A TRP 221.A N MET 229.A O no hydrogen 2.955 N/A ASP 222.A N LYS 210.A O no hydrogen 2.835 N/A SER 223.A N TYR 227.A O no hydrogen 2.920 N/A SER 223.A OG GLU 207.A OE1 no hydrogen 2.919 N/A SER 225.A OG GLU 207.A OE1 no hydrogen 2.750 N/A GLY 226.A N SER 223.A O no hydrogen 2.975 N/A TYR 227.A N SER 223.A OG no hydrogen 3.381 N/A MET 228.A N PRO 188.A O no hydrogen 2.803 N/A MET 229.A N TRP 221.A O no hydrogen 2.807 N/A LEU 230.A N ASP 233.A OD2 no hydrogen 2.880 N/A THR 232.A N ALA 145.A O no hydrogen 3.221 N/A TYR 234.A N LEU 230.A O no hydrogen 2.934 N/A SER 235.A N PRO 231.A O no hydrogen 2.937 N/A SER 235.A OG THR 232.A O no hydrogen 2.778 N/A LEU 236.A N ASP 233.A O no hydrogen 3.040 N/A ILE 237.A N TYR 234.A O no hydrogen 3.002 N/A GLN 238.A N SER 235.A O no hydrogen 3.113 N/A ASP 239.A N SER 235.A O no hydrogen 3.070 N/A TYR 242.A N ASP 239.A OD1 no hydrogen 2.908 N/A LEU 243.A N ASP 239.A O no hydrogen 2.878 N/A SER 244.A N PRO 240.A O no hydrogen 3.320 N/A SER 244.A OG PRO 240.A O no hydrogen 3.227 N/A VAL 246.A N TYR 242.A O no hydrogen 2.899 N/A LYS 247.A N LEU 243.A O no hydrogen 2.980 N/A GLU 248.A N SER 244.A O no hydrogen 3.083 N/A TYR 249.A N ILE 245.A O no hydrogen 2.973 N/A TYR 249.A OH ASP 259.A OD2 no hydrogen 2.635 N/A ALA 250.A N VAL 246.A O no hydrogen 2.891 N/A ASN 251.A N LYS 247.A O no hydrogen 3.155 N/A ASN 251.A N GLU 248.A O no hydrogen 3.163 N/A ASP 252.A N TYR 249.A O no hydrogen 3.343 N/A LYS 255.A N ASP 252.A OD1 no hydrogen 3.011 N/A LYS 255.A NZ ASP 259.A OD1 no hydrogen 3.233 N/A PHE 256.A N ASP 252.A O no hydrogen 3.064 N/A PHE 257.A N GLN 253.A O no hydrogen 2.938 N/A LYS 258.A N ASP 254.A O no hydrogen 2.896 N/A LYS 258.A NZ ASP 254.A OD2 no hydrogen 2.647 N/A ASP 259.A N LYS 255.A O no hydrogen 2.925 N/A PHE 260.A N PHE 256.A O no hydrogen 2.775 N/A SER 261.A N PHE 257.A O no hydrogen 2.947 N/A SER 261.A OG LYS 121.A O no hydrogen 2.639 N/A LYS 262.A N LYS 258.A O no hydrogen 3.184 N/A ALA 263.A N ASP 259.A O no hydrogen 3.010 N/A PHE 264.A N PHE 260.A O no hydrogen 2.794 N/A GLU 265.A N SER 261.A O no hydrogen 3.019 N/A LYS 266.A N LYS 262.A O no hydrogen 2.937 N/A LYS 266.A NZ ASN 160.A O no hydrogen 2.782 N/A LYS 266.A NZ GLU 165.A OE1 no hydrogen 3.277 N/A LYS 266.A NZ GLU 165.A OE2 no hydrogen 2.848 N/A LEU 267.A N ALA 263.A O no hydrogen 2.848 N/A LEU 268.A N PHE 264.A O no hydrogen 2.984 N/A GLU 269.A N LYS 266.A O no hydrogen 3.078 N/A ILE 272.A N GLU 269.A O no hydrogen 3.082 N/A THR 273.A N HIS 4.A O no hydrogen 2.793 N/A ALA 278.A N PRO 275.A O no hydrogen 2.957 N/A PHE 282.A N TRP 124.A O no hydrogen 2.785 N/A THR 286.A N GLU 289.A OE1 no hydrogen 2.921 N/A LEU 287.A N GLU 116.A OE2 no hydrogen 3.057 N/A GLU 289.A N THR 286.A OG1 no hydrogen 3.007 N/A GLN 290.A N THR 286.A O no hydrogen 3.113 N/A GLN 290.A N LEU 287.A O no hydrogen 2.985 N/A GLN 290.A NE2 ASN 22.A OD1 no hydrogen 3.007 N/A GLY 291.A N GLU 288.A O no hydrogen 3.158 N/A LEU 292.A N LEU 287.A O no hydrogen 2.958 N/A