Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mg0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ARG 23.A O no hydrogen 3.003 N/A TYR 10.A OH ILE 28.A O no hydrogen 2.718 N/A LEU 11.A N PRO 8.A O no hydrogen 3.003 N/A GLY 12.A N LEU 9.A O no hydrogen 3.064 N/A GLY 13.A N PRO 8.A O no hydrogen 2.968 N/A THR 17.A N ASN 20.A OD1 no hydrogen 2.735 N/A GLU 19.A N THR 17.A OG1 no hydrogen 3.149 N/A ASN 20.A N THR 17.A O no hydrogen 3.223 N/A ASN 20.A ND2 GLU 15.A O no hydrogen 3.259 N/A CYS 21.A SG THR 18.A O no hydrogen 3.929 N/A ARG 23.A N ASN 20.A O no hydrogen 2.936 N/A ARG 23.A NE PRO 4.A O no hydrogen 2.621 N/A ARG 23.A NH2 PRO 4.A O no hydrogen 3.171 N/A GLU 24.A N CYS 21.A O no hydrogen 3.323 N/A ILE 26.A N GLU 24.A O no hydrogen 2.885 N/A HIS 27.A N HIS 27.A ND1 no hydrogen 2.845 N/A ILE 28.A N PRO 25.A O no hydrogen 3.133 N/A SER 31.A OG PRO 29.A O no hydrogen 3.463 N/A ILE 32.A N VAL 227.A O no hydrogen 2.872 N/A GLN 33.A N LEU 248.A O no hydrogen 2.839 N/A GLN 33.A NE2 LEU 218.A O no hydrogen 2.929 N/A GLN 33.A NE2 ARG 249.A O no hydrogen 3.040 N/A ALA 37.A N PHE 121.A O no hydrogen 2.896 N/A LEU 38.A N SER 52.A OG no hydrogen 3.124 N/A LEU 39.A N LEU 119.A O no hydrogen 2.972 N/A THR 40.A N GLN 50.A O no hydrogen 2.910 N/A THR 40.A OG1 GLN 50.A OE1 no hydrogen 3.077 N/A ALA 41.A N LEU 117.A O no hydrogen 2.915 N/A ASP 42.A N GLU 47.A O no hydrogen 2.909 N/A GLY 43.A N GLU 115.A O no hydrogen 2.889 N/A HIS 44.A N ASP 42.A OD1 no hydrogen 2.976 N/A SER 45.A N ASP 42.A OD1 no hydrogen 2.906 N/A SER 45.A OG ASP 42.A OD1 no hydrogen 3.326 N/A GLY 46.A N ASP 42.A O no hydrogen 2.868 N/A GLU 47.A N SER 45.A OG no hydrogen 3.055 N/A VAL 48.A N GLN 69.A O no hydrogen 2.766 N/A LEU 49.A N THR 40.A O no hydrogen 2.808 N/A GLN 50.A N THR 40.A O no hydrogen 3.456 N/A GLN 50.A N THR 40.A OG1 no hydrogen 3.221 N/A GLN 50.A NE2 PRO 231.A O no hydrogen 2.870 N/A GLN 50.A NE2 VAL 232.A O no hydrogen 3.292 N/A MET 51.A N ASP 230.A O no hydrogen 3.041 N/A SER 52.A N LEU 38.A O no hydrogen 2.857 N/A SER 52.A OG LEU 38.A O no hydrogen 3.475 N/A SER 52.A OG ASN 54.A OD1 no hydrogen 2.681 N/A LEU 53.A N PRO 228.A O no hydrogen 2.995 N/A ASN 54.A ND2 PRO 34.A O no hydrogen 3.658 N/A ASN 54.A ND2 GLY 36.A O no hydrogen 2.959 N/A ALA 55.A N SER 52.A O no hydrogen 3.080 N/A THR 57.A N ASN 54.A O no hydrogen 3.032 N/A LEU 59.A N ALA 55.A O no hydrogen 2.811 N/A VAL 65.A N GLU 62.A O no hydrogen 3.205 N/A LEU 66.A N PRO 63.A O no hydrogen 2.856 N/A ARG 67.A N PRO 63.A O no hydrogen 2.916 N/A GLY 68.A N VAL 48.A O no hydrogen 3.005 N/A GLN 69.A N LEU 66.A O no hydrogen 2.992 N/A LEU 71.A N GLY 46.A O no hydrogen 2.872 N/A ALA 73.A N THR 70.A O no hydrogen 2.976 N/A LEU 74.A N THR 70.A O no hydrogen 3.162 N/A LEU 75.A N LEU 71.A O no hydrogen 2.759 N/A TRP 79.A N LEU 75.A O no hydrogen 2.791 N/A LEU 82.A N GLN 78.A O no hydrogen 2.795 N/A GLN 83.A N TRP 79.A O no hydrogen 3.133 N/A ALA 84.A N PRO 80.A O no hydrogen 3.198 N/A ALA 85.A N ALA 81.A O no hydrogen 3.032 N/A ALA 85.A N LEU 82.A O no hydrogen 3.288 N/A LEU 86.A N LEU 82.A O no hydrogen 3.184 N/A CYS 90.A N PRO 87.A O no hydrogen 3.172 N/A CYS 90.A SG PRO 87.A O no hydrogen 3.276 N/A CYS 90.A SG PRO 91.A O no hydrogen 3.787 N/A LEU 94.A N PRO 91.A O no hydrogen 3.148 N/A TYR 96.A N VAL 110.A O no hydrogen 2.842 N/A ARG 97.A NE THR 109.A OG1 no hydrogen 3.075 N/A ARG 97.A NH1 PRO 294.A O no hydrogen 3.173 N/A ARG 97.A NH1 THR 298.A OG1 no hydrogen 2.924 N/A ARG 97.A NH2 THR 109.A OG1 no hydrogen 2.974 N/A ALA 98.A N LEU 108.A O no hydrogen 2.941 N/A LEU 100.A N LEU 106.A O no hydrogen 2.570 N/A TRP 102.A N GLY 104.A O no hydrogen 2.714 N/A LEU 106.A N LEU 100.A O no hydrogen 2.991 N/A SER 107.A N GLU 122.A O no hydrogen 2.773 N/A LEU 108.A N ALA 98.A O no hydrogen 2.753 N/A THR 109.A N GLU 120.A O no hydrogen 2.921 N/A VAL 110.A N TYR 96.A O no hydrogen 2.792 N/A HIS 111.A N ILE 118.A O no hydrogen 3.095 N/A ARG 112.A NE LEU 86.A O no hydrogen 2.925 N/A ARG 112.A NH1 GLY 114.A O no hydrogen 3.211 N/A ARG 112.A NH2 GLY 43.A O no hydrogen 3.511 N/A ARG 112.A NH2 LEU 86.A O no hydrogen 3.212 N/A VAL 113.A N LEU 116.A O no hydrogen 2.964 N/A LEU 116.A N VAL 113.A O no hydrogen 3.015 N/A LEU 117.A N ALA 41.A O no hydrogen 2.798 N/A ILE 118.A N HIS 111.A O no hydrogen 2.891 N/A LEU 119.A N LEU 39.A O no hydrogen 2.838 N/A GLU 120.A N THR 109.A O no hydrogen 2.780 N/A PHE 121.A N ALA 37.A O no hydrogen 2.795 N/A GLU 122.A N SER 107.A O no hydrogen 2.997 N/A THR 124.A N HIS 105.A O no hydrogen 2.945 N/A GLU 125.A N ASP 128.A OD1 no hydrogen 2.972 N/A ASP 128.A N GLU 125.A O no hydrogen 2.904 N/A THR 130.A N ASP 295.A OD1 no hydrogen 3.284 N/A ALA 134.A N GLY 131.A O no hydrogen 3.305 N/A ARG 136.A N PRO 132.A O no hydrogen 3.115 N/A ARG 136.A NH1 ASN 137.A OD1 no hydrogen 2.938 N/A ASN 137.A N HIS 133.A O no hydrogen 2.874 N/A ALA 138.A N ALA 134.A O no hydrogen 3.402 N/A MET 139.A N LEU 135.A O no hydrogen 3.177 N/A MET 139.A N ARG 136.A O no hydrogen 3.219 N/A GLU 143.A N MET 139.A O no hydrogen 3.132 N/A SER 144.A OG PHE 140.A O no hydrogen 3.396 N/A SER 144.A OG ALA 141.A O no hydrogen 3.131 N/A ALA 145.A N LEU 142.A O no hydrogen 3.445 N/A ALA 150.A N ASN 147.A OD1 no hydrogen 2.863 N/A LEU 151.A N ASN 147.A O no hydrogen 2.887 N/A ALA 152.A N LEU 148.A O.A no hydrogen 3.006 N/A ALA 152.A N LEU 148.A O.B no hydrogen 3.031 N/A GLU 153.A N.A ARG 149.A O no hydrogen 2.988 N/A GLU 153.A N.B ARG 149.A O no hydrogen 2.988 N/A VAL 154.A N.A ALA 150.A O no hydrogen 2.983 N/A VAL 154.A N.B ALA 150.A O no hydrogen 2.989 N/A ALA 155.A N.A LEU 151.A O no hydrogen 2.953 N/A ALA 155.A N.B LEU 151.A O no hydrogen 3.019 N/A THR 156.A N ALA 152.A O no hydrogen 3.152 N/A THR 156.A OG1 GLU 153.A O.A no hydrogen 2.960 N/A THR 156.A OG1 GLU 153.A O.B no hydrogen 2.869 N/A GLN 157.A N.A GLU 153.A O.A no hydrogen 3.195 N/A GLN 157.A N.A GLU 153.A O.B no hydrogen 3.176 N/A GLN 157.A N.B GLU 153.A O.A no hydrogen 3.205 N/A GLN 157.A N.B GLU 153.A O.B no hydrogen 3.185 N/A THR 158.A N VAL 154.A O.A no hydrogen 2.861 N/A THR 158.A N VAL 154.A O.B no hydrogen 2.941 N/A THR 158.A OG1 VAL 154.A O.A no hydrogen 2.941 N/A THR 158.A OG1 VAL 154.A O.B no hydrogen 2.830 N/A VAL 159.A N ALA 155.A O.A no hydrogen 3.026 N/A VAL 159.A N ALA 155.A O.B no hydrogen 2.934 N/A ARG 160.A N THR 156.A O no hydrogen 3.006 N/A ARG 160.A NE PHE 165.A O no hydrogen 2.896 N/A GLU 161.A N GLN 157.A O.A no hydrogen 3.033 N/A GLU 161.A N GLN 157.A O.B no hydrogen 3.051 N/A LEU 162.A N THR 158.A O no hydrogen 3.118 N/A THR 163.A N VAL 159.A O no hydrogen 3.104 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.828 N/A GLY 164.A N ARG 160.A O no hydrogen 2.770 N/A PHE 165.A N THR 163.A OG1 no hydrogen 3.266 N/A ASP 166.A N HIS 286.A ND1 no hydrogen 3.198 N/A ARG 167.A N HIS 285.A O no hydrogen 3.052 N/A ARG 167.A NH1 HIS 191.A O.A no hydrogen 3.060 N/A ARG 167.A NH1 HIS 191.A O.B no hydrogen 2.832 N/A ARG 167.A NH2 GLU 184.A OE2 no hydrogen 2.711 N/A ARG 167.A NH2 HIS 191.A O.A no hydrogen 2.778 N/A ARG 167.A NH2 HIS 191.A O.B no hydrogen 2.575 N/A VAL 168.A N ALA 185.A O no hydrogen 2.875 N/A MET 169.A N ALA 283.A O no hydrogen 2.740 N/A LEU 170.A N ALA 183.A O no hydrogen 2.976 N/A TYR 171.A N LEU 281.A O no hydrogen 2.914 N/A LYS 172.A N GLU 180.A O no hydrogen 2.929 N/A LYS 172.A NZ PHE 173.A O no hydrogen 3.449 N/A PHE 173.A N TRP 279.A O no hydrogen 3.130 N/A ALA 174.A N THR 178.A O no hydrogen 2.745 N/A ALA 177.A N ALA 174.A O no hydrogen 2.841 N/A THR 178.A N ASP 176.A OD1 no hydrogen 3.107 N/A THR 178.A OG1 ASP 176.A OD1 no hydrogen 2.630 N/A GLY 179.A N PHE 198.A O no hydrogen 3.146 N/A GLU 180.A N LYS 172.A O no hydrogen 2.995 N/A VAL 181.A N HIS 196.A O no hydrogen 3.013 N/A ILE 182.A N LEU 170.A O no hydrogen 3.008 N/A ALA 185.A N VAL 168.A O no hydrogen 2.874 N/A ARG 187.A N ASP 166.A O no hydrogen 2.903 N/A ARG 187.A NH1 GLN 287.A OE1 no hydrogen 2.909 N/A ARG 187.A NH2 ASP 166.A OD1 no hydrogen 3.158 N/A ARG 187.A NH2 GLN 287.A OE1 no hydrogen 2.623 N/A LEU 190.A N.A ARG 187.A O no hydrogen 3.219 N/A LEU 190.A N.B ARG 187.A O no hydrogen 3.222 N/A HIS 191.A ND1.B ALA 192.A O.A no hydrogen 2.647 N/A HIS 191.A ND1.B ALA 192.A O.B no hydrogen 2.689 N/A PHE 193.A N GLU 184.A OE1 no hydrogen 2.952 N/A PHE 193.A N GLU 184.A OE2 no hydrogen 3.232 N/A LEU 194.A N GLU 184.A OE1 no hydrogen 3.154 N/A GLY 195.A N VAL 181.A O no hydrogen 2.824 N/A HIS 196.A N PHE 193.A O no hydrogen 2.969 N/A PHE 198.A N GLY 179.A O no hydrogen 2.909 N/A ASP 202.A N PRO 199.A O no hydrogen 3.317 N/A ILE 203.A N ALA 200.A O no hydrogen 3.303 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.803 N/A GLN 206.A NE2 CYS 21.A O no hydrogen 3.112 N/A GLN 206.A NE2 GLU 24.A O no hydrogen 2.961 N/A ARG 208.A N PRO 204.A O no hydrogen 3.037 N/A ARG 208.A NH1 ILE 203.A O no hydrogen 2.800 N/A ALA 209.A N ALA 205.A O no hydrogen 3.023 N/A LEU 210.A N GLN 206.A O no hydrogen 3.118 N/A TYR 211.A N.A ALA 207.A O no hydrogen 2.875 N/A TYR 211.A N.B ALA 207.A O no hydrogen 2.889 N/A THR 212.A N.A ALA 209.A O no hydrogen 3.123 N/A THR 212.A N.B ALA 209.A O no hydrogen 3.116 N/A THR 212.A OG1.A ARG 208.A O no hydrogen 2.788 N/A THR 212.A OG1.B ALA 209.A O no hydrogen 2.784 N/A ARG 213.A N.A LEU 210.A O no hydrogen 3.100 N/A ARG 213.A N.B LEU 210.A O no hydrogen 3.110 N/A ARG 213.A NE.B THR 212.A OG1.B no hydrogen 3.190 N/A ARG 213.A NH1.A ASP 92.A OD2 no hydrogen 2.426 N/A HIS 214.A N LEU 210.A O no hydrogen 3.026 N/A HIS 214.A NE2 ASP 92.A OD2 no hydrogen 3.102 N/A ARG 217.A N SER 269.A O no hydrogen 3.211 N/A ARG 217.A NH1 HIS 214.A O no hydrogen 2.851 N/A ARG 217.A NH1 SER 271.A OG no hydrogen 2.779 N/A ARG 217.A NH2 SER 269.A OG no hydrogen 3.102 N/A THR 219.A N SER 267.A O no hydrogen 2.776 N/A THR 219.A OG1 THR 251.A OG1 no hydrogen 2.695 N/A ALA 220.A N GLN 33.A OE1 no hydrogen 3.039 N/A THR 222.A N.A GLY 265.A O no hydrogen 3.080 N/A THR 222.A N.B GLY 265.A O no hydrogen 3.090 N/A THR 222.A OG1.A VAL 264.A O no hydrogen 2.772 N/A THR 222.A OG1.A GLY 265.A O no hydrogen 3.469 N/A THR 222.A OG1.B VAL 264.A O no hydrogen 2.711 N/A THR 222.A OG1.B GLY 265.A O no hydrogen 3.461 N/A ARG 223.A N.A ASP 221.A OD1 no hydrogen 2.937 N/A ARG 223.A N.B ASP 221.A OD1 no hydrogen 2.942 N/A ALA 224.A N.A ASP 221.A O no hydrogen 3.232 N/A ALA 224.A N.B ASP 221.A O no hydrogen 3.249 N/A VAL 227.A N ILE 32.A O no hydrogen 2.818 N/A LEU 229.A N GLY 30.A O no hydrogen 2.992 N/A ASP 230.A N MET 51.A O no hydrogen 2.850 N/A ASN 234.A N ALA 239.A O no hydrogen 2.953 N/A ASN 234.A ND2 GLN 236.A OE1 no hydrogen 3.251 N/A GLN 236.A N ASN 234.A OD1 no hydrogen 3.007 N/A GLN 236.A NE2 ASP 42.A OD2 no hydrogen 2.778 N/A GLN 236.A NE2 GLU 115.A O no hydrogen 2.909 N/A THR 237.A N ASN 234.A O no hydrogen 3.073 N/A THR 237.A OG1 ASN 234.A O no hydrogen 3.500 N/A ASN 238.A N ASN 234.A O no hydrogen 2.794 N/A ALA 239.A N THR 237.A OG1 no hydrogen 3.203 N/A THR 241.A OG1 GLN 50.A OE1 no hydrogen 2.703 N/A LEU 243.A N HIS 27.A O no hydrogen 2.943 N/A ALA 246.A N LEU 243.A O no hydrogen 3.000 N/A LEU 248.A N GLU 120.A OE2 no hydrogen 2.841 N/A ARG 249.A N ALA 246.A O no hydrogen 3.060 N/A ARG 249.A NH1 ILE 26.A O no hydrogen 3.302 N/A ALA 250.A N SER 31.A O no hydrogen 3.154 N/A THR 251.A OG1 THR 219.A OG1 no hydrogen 2.695 N/A SER 252.A OG GLU 24.A OE1 no hydrogen 2.717 N/A SER 252.A OG GLU 24.A OE2 no hydrogen 3.308 N/A MET 254.A N SER 252.A OG no hydrogen 3.149 N/A MET 256.A N SER 252.A O no hydrogen 2.981 N/A GLN 257.A N PRO 253.A O no hydrogen 3.025 N/A GLN 257.A NE2 GLN 257.A O no hydrogen 3.436 N/A GLN 257.A NE2 ASN 261.A OD1 no hydrogen 3.056 N/A TYR 258.A N MET 254.A O no hydrogen 3.123 N/A TYR 258.A OH ASP 202.A OD2 no hydrogen 2.903 N/A LEU 259.A N HIS 255.A O no hydrogen 2.898 N/A ARG 260.A N MET 256.A O no hydrogen 3.003 N/A ARG 260.A NH1 GLN 257.A OE1 no hydrogen 2.831 N/A ARG 260.A NH2 THR 222.A O.A no hydrogen 2.971 N/A ARG 260.A NH2 THR 222.A O.B no hydrogen 2.964 N/A ASN 261.A N GLN 257.A O no hydrogen 2.949 N/A MET 262.A N TYR 258.A O no hydrogen 3.233 N/A MET 262.A N LEU 259.A O no hydrogen 3.041 N/A GLY 263.A N ARG 260.A O no hydrogen 2.990 N/A VAL 264.A N LEU 259.A O no hydrogen 3.077 N/A GLY 265.A N HIS 286.A O no hydrogen 2.837 N/A SER 266.A N HIS 286.A O no hydrogen 3.238 N/A SER 266.A OG THR 219.A O no hydrogen 3.273 N/A SER 266.A OG ALA 220.A O no hydrogen 3.403 N/A SER 266.A OG TYR 290.A O no hydrogen 3.036 N/A SER 267.A N THR 219.A O no hydrogen 2.888 N/A SER 267.A OG CYS 284.A O no hydrogen 3.457 N/A LEU 268.A N CYS 284.A O no hydrogen 3.088 N/A SER 269.A N ARG 217.A O no hydrogen 3.023 N/A VAL 270.A N ILE 282.A O no hydrogen 2.898 N/A SER 271.A N LEU 215.A O no hydrogen 2.858 N/A SER 271.A OG TYR 211.A O.A no hydrogen 2.656 N/A SER 271.A OG TYR 211.A O.B no hydrogen 2.700 N/A VAL 272.A N GLY 280.A O no hydrogen 2.906 N/A VAL 273.A N SER 308.A OG.A no hydrogen 3.187 N/A VAL 274.A N GLN 277.A O no hydrogen 2.829 N/A GLN 277.A N VAL 274.A O no hydrogen 3.000 N/A TRP 279.A N VAL 272.A O no hydrogen 2.891 N/A TRP 279.A NE1 GLU 315.A OE2 no hydrogen 2.719 N/A GLY 280.A N VAL 272.A O no hydrogen 3.318 N/A LEU 281.A N TYR 171.A O no hydrogen 2.849 N/A ILE 282.A N VAL 270.A O no hydrogen 2.813 N/A ALA 283.A N MET 169.A O no hydrogen 2.871 N/A CYS 284.A N LEU 268.A O no hydrogen 2.759 N/A HIS 285.A N ARG 167.A O no hydrogen 2.892 N/A HIS 286.A N SER 266.A O no hydrogen 2.968 N/A GLN 287.A N ASP 166.A OD2 no hydrogen 2.906 N/A TYR 290.A N ALA 220.A O no hydrogen 3.169 N/A TYR 290.A OH THR 163.A O no hydrogen 2.962 N/A ARG 297.A N PRO 293.A O no hydrogen 2.981 N/A ARG 297.A NH1 GLU 122.A OE1 no hydrogen 3.128 N/A ARG 297.A NH1 GLU 122.A OE2 no hydrogen 3.384 N/A ARG 297.A NH1 LEU 292.A O no hydrogen 3.030 N/A ARG 297.A NH2 GLU 122.A OE2 no hydrogen 2.958 N/A THR 298.A N PRO 294.A O no hydrogen 3.085 N/A THR 298.A OG1 PRO 294.A O no hydrogen 3.236 N/A THR 299.A N ASP 295.A O no hydrogen 3.165 N/A THR 299.A OG1 ASP 295.A O no hydrogen 3.053 N/A LEU 300.A N LEU 296.A O no hydrogen 2.999 N/A GLU 301.A N ARG 297.A O no hydrogen 2.955 N/A SER 302.A N THR 298.A O no hydrogen 2.968 N/A SER 302.A OG THR 298.A O no hydrogen 3.252 N/A LEU 303.A N THR 299.A O no hydrogen 2.895 N/A GLY 304.A N LEU 300.A O no hydrogen 2.908 N/A ARG 305.A N GLU 301.A O no hydrogen 3.186 N/A LEU 306.A N.A SER 302.A O no hydrogen 3.059 N/A LEU 306.A N.B SER 302.A O no hydrogen 3.019 N/A LEU 307.A N LEU 303.A O no hydrogen 2.843 N/A SER 308.A N GLY 304.A O no hydrogen 3.028 N/A SER 308.A OG.A VAL 273.A O no hydrogen 3.253 N/A SER 308.A OG.A GLY 304.A O no hydrogen 2.907 N/A SER 308.A OG.B VAL 273.A O no hydrogen 2.430 N/A LEU 309.A N ARG 305.A O no hydrogen 3.328 N/A GLN 310.A N LEU 306.A O.A no hydrogen 3.028 N/A GLN 310.A N LEU 306.A O.B no hydrogen 3.026 N/A VAL 311.A N LEU 307.A O no hydrogen 2.771 N/A GLN 312.A N SER 308.A O no hydrogen 2.942 N/A VAL 313.A N LEU 309.A O no hydrogen 2.819 N/A LYS 314.A N GLN 310.A O no hydrogen 3.048 N/A LYS 314.A NZ ALA 145.A O no hydrogen 3.273 N/A GLU 315.A N VAL 311.A O no hydrogen 2.792 N/A ALA 316.A N GLN 312.A O no hydrogen 2.948 N/A HIS 317.A N VAL 313.A O no hydrogen 2.638 N/A HIS 318.A N LYS 314.A O no hydrogen 2.729 N/A HIS 318.A ND1 GLU 315.A O no hydrogen 3.040 N/A HIS 319.A N GLU 315.A O no hydrogen 2.861 N/A HIS 320.A N ALA 316.A O no hydrogen 2.679 N/A HIS 321.A N HIS 317.A O no hydrogen 2.747 N/A