Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5nhj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.881 N/A GLN 7.A N VAL 4.A O no hydrogen 2.569 N/A PHE 9.A N GLU 2.A O no hydrogen 3.002 N/A ASP 10.A N TYR 92.A OH no hydrogen 3.144 N/A VAL 11.A N PHE 9.A O no hydrogen 2.969 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.625 N/A ARG 14.A NH2 ASP 34.A OD1 no hydrogen 3.334 N/A ARG 14.A NH2 ASP 34.A OD2 no hydrogen 3.086 N/A TYR 15.A N VAL 11.A O no hydrogen 3.246 N/A TYR 15.A OH ASP 78.A OD2 no hydrogen 3.301 N/A THR 16.A N TYR 33.A O no hydrogen 3.178 N/A THR 16.A OG1 ASN 35.A OD1 no hydrogen 3.135 N/A SER 19.A N SER 31.A O no hydrogen 2.964 N/A ILE 21.A N VAL 29.A O no hydrogen 2.872 N/A GLY 22.A N VAL 29.A O no hydrogen 3.241 N/A GLY 24.A N GLY 27.A O no hydrogen 2.953 N/A MET 28.A N LYS 45.A O no hydrogen 2.802 N/A VAL 29.A N GLY 22.A O no hydrogen 2.988 N/A CYS 30.A N ILE 43.A O no hydrogen 2.827 N/A SER 31.A N SER 19.A O no hydrogen 2.795 N/A SER 31.A OG SER 19.A O no hydrogen 3.445 N/A ALA 32.A N VAL 41.A O no hydrogen 2.863 N/A TYR 33.A N THR 16.A O no hydrogen 2.908 N/A ASP 34.A N VAL 39.A O no hydrogen 2.700 N/A ASN 35.A N ARG 14.A O no hydrogen 2.874 N/A ASN 37.A N ASP 34.A O no hydrogen 3.090 N/A LYS 38.A N ASP 34.A O no hydrogen 2.993 N/A ARG 40.A NH2 ASN 17.A O no hydrogen 3.271 N/A ARG 40.A NH2 SER 31.A OG no hydrogen 2.853 N/A VAL 41.A N ALA 32.A O no hydrogen 2.616 N/A ALA 42.A N GLN 95.A O no hydrogen 2.841 N/A ILE 43.A N CYS 30.A O no hydrogen 2.644 N/A LYS 44.A N ILE 93.A O no hydrogen 2.842 N/A LYS 44.A NZ GLU 61.A OE1 no hydrogen 3.461 N/A LYS 44.A NZ GLU 61.A OE2 no hydrogen 2.532 N/A LYS 45.A N MET 28.A O no hydrogen 2.650 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.718 N/A LYS 45.A NZ ASP 90.A OD2 no hydrogen 3.091 N/A ILE 46.A N VAL 91.A O no hydrogen 2.817 N/A SER 47.A N TYR 26.A O no hydrogen 2.830 N/A SER 47.A OG ASP 90.A OD1 no hydrogen 2.566 N/A HIS 51.A N PRO 48.A O no hydrogen 3.203 N/A GLN 52.A NE2 ASP 326.A O no hydrogen 2.529 N/A GLN 52.A NE2 LEU 328.A O no hydrogen 2.540 N/A CYS 55.A N HIS 51.A O no hydrogen 3.173 N/A CYS 55.A SG PRO 48.A O no hydrogen 3.129 N/A CYS 55.A SG HIS 51.A O no hydrogen 3.662 N/A CYS 55.A SG LYS 330.A O no hydrogen 4.001 N/A GLN 56.A N GLN 52.A O no hydrogen 3.077 N/A GLN 56.A NE2 GLN 52.A OE1 no hydrogen 2.516 N/A ARG 57.A N THR 53.A O no hydrogen 3.131 N/A THR 58.A N TYR 54.A O no hydrogen 2.880 N/A THR 58.A OG1 TYR 54.A O no hydrogen 3.014 N/A LEU 59.A N CYS 55.A O no hydrogen 3.157 N/A ARG 60.A N GLN 56.A O no hydrogen 3.168 N/A GLU 61.A N ARG 57.A O no hydrogen 3.002 N/A ILE 62.A N THR 58.A O no hydrogen 3.027 N/A LYS 63.A N LEU 59.A O no hydrogen 2.966 N/A LYS 63.A NZ GLU 340.A OE2 no hydrogen 3.021 N/A ILE 64.A N ARG 60.A O no hydrogen 3.025 N/A LEU 65.A N GLU 61.A O no hydrogen 3.098 N/A LEU 66.A N ILE 62.A O no hydrogen 3.005 N/A ARG 67.A N ILE 64.A O no hydrogen 3.112 N/A ARG 67.A NH2 ALA 317.A O no hydrogen 2.923 N/A PHE 68.A N ILE 64.A O no hydrogen 3.006 N/A ARG 69.A N TYR 129.A OH no hydrogen 3.177 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 3.014 N/A ASN 72.A ND2 LEU 153.A O no hydrogen 3.049 N/A ILE 73.A N HIS 70.A O no hydrogen 3.060 N/A ILE 74.A N ILE 155.A O no hydrogen 2.915 N/A ASN 77.A N VAL 94.A O no hydrogen 2.635 N/A ASN 77.A ND2 ASP 96.A OD1 no hydrogen 2.788 N/A ASP 78.A N VAL 94.A O no hydrogen 3.371 N/A ILE 79.A N ASP 78.A OD1 no hydrogen 2.629 N/A ILE 80.A N TYR 92.A O no hydrogen 2.783 N/A ARG 81.A NE THR 341.A OG1 no hydrogen 2.753 N/A ARG 81.A NH1 PHE 338.A O no hydrogen 3.075 N/A ARG 81.A NH2 ALA 82.A O no hydrogen 2.841 N/A THR 84.A OG1 GLN 87.A OE1 no hydrogen 2.314 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.530 N/A GLN 87.A N THR 84.A O no hydrogen 3.225 N/A MET 88.A N ILE 85.A O no hydrogen 3.233 N/A VAL 91.A N ILE 46.A O no hydrogen 2.903 N/A TYR 92.A N ILE 80.A O no hydrogen 2.915 N/A TYR 92.A OH VAL 8.A O no hydrogen 3.268 N/A ILE 93.A N LYS 44.A O no hydrogen 2.941 N/A VAL 94.A N ASP 78.A O no hydrogen 2.842 N/A GLN 95.A N ALA 42.A O no hydrogen 2.769 N/A THR 100.A N LEU 147.A O no hydrogen 3.015 N/A THR 100.A OG1 ASP 101.A O no hydrogen 3.519 N/A ASP 101.A N THR 100.A OG1 no hydrogen 2.750 N/A LEU 102.A N LEU 145.A O no hydrogen 2.942 N/A TYR 103.A N PRO 142.A O no hydrogen 3.268 N/A LYS 104.A N ASP 101.A OD1 no hydrogen 2.864 N/A LEU 105.A N ASP 101.A O no hydrogen 3.109 N/A LEU 106.A N LEU 102.A O no hydrogen 2.941 N/A THR 108.A N LEU 105.A O no hydrogen 3.205 N/A THR 108.A OG1 LEU 105.A O no hydrogen 3.306 N/A GLN 109.A N LEU 105.A O no hydrogen 2.772 N/A GLN 109.A NE2 THR 108.A OG1 no hydrogen 3.230 N/A SER 112.A OG HIS 115.A ND1 no hydrogen 2.723 N/A ASN 113.A ND2 ASP 273.A OD2 no hydrogen 3.376 N/A HIS 115.A N SER 112.A OG no hydrogen 3.287 N/A HIS 115.A ND1 SER 112.A OG no hydrogen 2.723 N/A ILE 116.A N SER 112.A O no hydrogen 2.974 N/A CYS 117.A N ASN 113.A O no hydrogen 2.871 N/A CYS 117.A SG TYR 302.A O no hydrogen 3.325 N/A CYS 117.A SG GLN 305.A OE1 no hydrogen 4.039 N/A TYR 118.A N ASP 114.A O no hydrogen 3.013 N/A PHE 119.A N HIS 115.A O no hydrogen 2.740 N/A LEU 120.A N ILE 116.A O no hydrogen 2.953 N/A TYR 121.A N CYS 117.A O no hydrogen 3.102 N/A TYR 121.A OH GLU 312.A OE2 no hydrogen 2.521 N/A GLN 122.A N TYR 118.A O no hydrogen 3.207 N/A GLN 122.A NE2 TYR 118.A O no hydrogen 3.469 N/A GLN 122.A NE2 CYS 151.A O no hydrogen 2.975 N/A ILE 123.A N PHE 119.A O no hydrogen 3.081 N/A LEU 124.A N LEU 120.A O no hydrogen 3.051 N/A ARG 125.A N TYR 121.A O no hydrogen 2.849 N/A ARG 125.A NE ASP 311.A O no hydrogen 2.899 N/A ARG 125.A NH1 GLU 71.A OE2 no hydrogen 3.239 N/A ARG 125.A NH1 ASN 72.A OD1 no hydrogen 2.790 N/A ARG 125.A NH2 GLU 71.A OE2 no hydrogen 3.504 N/A ARG 125.A NH2 ASP 311.A O no hydrogen 2.828 N/A GLY 126.A N GLN 122.A O no hydrogen 3.003 N/A LEU 127.A N ILE 123.A O no hydrogen 2.860 N/A LYS 128.A N LEU 124.A O no hydrogen 2.797 N/A LYS 128.A NZ GLU 312.A O no hydrogen 2.911 N/A TYR 129.A N ARG 125.A O no hydrogen 3.434 N/A ILE 130.A N GLY 126.A O no hydrogen 3.063 N/A HIS 131.A N LEU 127.A O no hydrogen 2.920 N/A HIS 131.A NE2 ASP 200.A OD2 no hydrogen 2.649 N/A SER 132.A N LYS 128.A O no hydrogen 2.950 N/A SER 132.A OG TYR 129.A O no hydrogen 2.773 N/A ALA 133.A N ILE 130.A O no hydrogen 3.122 N/A ASN 134.A N HIS 131.A O no hydrogen 3.009 N/A ASN 134.A ND2 PHE 319.A O no hydrogen 3.565 N/A VAL 135.A N ILE 130.A O no hydrogen 3.213 N/A LEU 136.A N ARG 162.A O no hydrogen 2.764 N/A HIS 137.A N ASP 200.A OD2 no hydrogen 3.136 N/A HIS 137.A NE2 CYS 156.A O no hydrogen 2.925 N/A ARG 138.A N ASP 200.A OD1 no hydrogen 3.045 N/A ARG 138.A NE LEU 160.A O no hydrogen 2.970 N/A ARG 138.A NH1 GLY 194.A O no hydrogen 3.439 N/A ARG 138.A NH2 LEU 160.A O no hydrogen 3.349 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.098 N/A LYS 141.A NZ THR 180.A OG1 no hydrogen 3.030 N/A ASN 144.A N LYS 141.A O no hydrogen 2.865 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.886 N/A ASN 144.A ND2 ASP 157.A OD2 no hydrogen 3.214 N/A LEU 145.A N PRO 142.A O no hydrogen 3.148 N/A LEU 146.A N LYS 154.A O no hydrogen 2.841 N/A LEU 147.A N THR 100.A O no hydrogen 2.823 N/A ASN 148.A N ASP 152.A O no hydrogen 3.368 N/A ASN 148.A ND2 ASP 152.A OD2 no hydrogen 3.466 N/A THR 149.A OG1 GLU 99.A OE1 no hydrogen 2.446 N/A THR 150.A N ASN 148.A OD1 no hydrogen 3.209 N/A THR 150.A OG1 ASN 148.A OD1 no hydrogen 3.178 N/A THR 150.A OG1 ASP 152.A OD2 no hydrogen 2.900 N/A CYS 151.A N ASN 148.A O no hydrogen 3.241 N/A ASP 152.A N ASN 148.A OD1 no hydrogen 2.877 N/A LEU 153.A N GLN 122.A OE1 no hydrogen 2.746 N/A LYS 154.A N LEU 146.A O no hydrogen 2.995 N/A LYS 154.A NZ GLU 71.A O no hydrogen 3.075 N/A ILE 155.A N ASN 72.A O no hydrogen 2.842 N/A CYS 156.A N ASN 144.A O no hydrogen 3.084 N/A CYS 156.A SG ASN 144.A O no hydrogen 3.555 N/A CYS 156.A SG ASN 144.A OD1 no hydrogen 3.812 N/A GLY 159.A N ASP 157.A OD1 no hydrogen 3.437 N/A ALA 161.A N PHE 158.A O no hydrogen 3.215 N/A ARG 162.A N LEU 136.A O no hydrogen 3.132 N/A VAL 163.A N ASP 322.A OD2 no hydrogen 3.284 N/A ALA 164.A N ASN 134.A O no hydrogen 2.940 N/A ASP 165.A N TYR 195.A O no hydrogen 2.971 N/A HIS 168.A N ASP 165.A O no hydrogen 3.201 N/A HIS 168.A ND1 ASP 165.A OD1 no hydrogen 2.858 N/A THR 171.A N ASN 191.A O no hydrogen 2.993 N/A GLY 172.A N THR 171.A OG1 no hydrogen 2.770 N/A LEU 174.A N MET 189.A O no hydrogen 2.785 N/A THR 180.A N ASP 139.A OD1 no hydrogen 3.498 N/A THR 180.A OG1 ASP 139.A OD1 no hydrogen 2.889 N/A ARG 181.A NH1 GLY 220.A O no hydrogen 2.887 N/A TRP 182.A NE1 GLY 220.A O no hydrogen 2.886 N/A TYR 183.A N THR 180.A O no hydrogen 3.403 N/A TYR 183.A OH GLU 210.A OE1 no hydrogen 2.713 N/A ARG 184.A N ARG 181.A O no hydrogen 3.168 N/A ARG 184.A NE ALA 179.A O no hydrogen 2.998 N/A ARG 184.A NH2 ALA 179.A O no hydrogen 2.152 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.665 N/A ILE 188.A N ALA 185.A O no hydrogen 3.105 N/A MET 189.A N PRO 186.A O no hydrogen 3.145 N/A ASN 191.A N GLU 187.A O no hydrogen 2.904 N/A ASN 191.A ND2 HIS 170.A NE2 no hydrogen 3.670 N/A SER 192.A N GLU 187.A O no hydrogen 2.653 N/A SER 192.A OG ASP 169.A OD1 no hydrogen 3.104 N/A SER 192.A OG ASP 169.A OD2 no hydrogen 2.772 N/A LYS 193.A N ASP 169.A O no hydrogen 2.784 N/A LYS 193.A NZ HIS 170.A O no hydrogen 3.341 N/A GLY 194.A N SER 192.A OG no hydrogen 3.083 N/A TYR 195.A N ASP 169.A OD1 no hydrogen 2.744 N/A THR 196.A OG1 SER 198.A OG no hydrogen 3.050 N/A LYS 197.A NZ HIS 131.A O no hydrogen 3.024 N/A SER 198.A OG THR 196.A OG1 no hydrogen 3.050 N/A ILE 199.A N THR 196.A O no hydrogen 3.143 N/A ASP 200.A N LYS 197.A O no hydrogen 3.026 N/A TRP 202.A N SER 198.A O no hydrogen 3.275 N/A SER 203.A OG TYR 183.A O no hydrogen 2.947 N/A VAL 204.A N ASP 200.A O no hydrogen 3.047 N/A GLY 205.A N ILE 201.A O no hydrogen 3.147 N/A CYS 206.A N TRP 202.A O no hydrogen 3.079 N/A CYS 206.A SG TRP 182.A O no hydrogen 3.852 N/A CYS 206.A SG TRP 202.A O no hydrogen 3.493 N/A ILE 207.A N SER 203.A O no hydrogen 2.938 N/A LEU 208.A N VAL 204.A O no hydrogen 2.765 N/A ALA 209.A N GLY 205.A O no hydrogen 2.958 N/A GLU 210.A N CYS 206.A O no hydrogen 3.177 N/A MET 211.A N ILE 207.A O no hydrogen 2.939 N/A LEU 212.A N LEU 208.A O no hydrogen 3.166 N/A LEU 212.A N ALA 209.A O no hydrogen 3.260 N/A SER 213.A OG ALA 209.A O no hydrogen 3.296 N/A ASN 214.A N GLU 210.A O no hydrogen 2.673 N/A ASN 214.A ND2 LEU 106.A O no hydrogen 2.611 N/A ASN 214.A ND2 GLN 109.A O no hydrogen 2.977 N/A ARG 215.A N SER 213.A OG no hydrogen 3.275 N/A GLY 220.A N PHE 218.A O no hydrogen 3.032 N/A GLY 220.A N GLN 226.A OE1 no hydrogen 3.212 N/A LYS 221.A N ASP 225.A OD2 no hydrogen 2.850 N/A TYR 223.A OH THR 175.A O no hydrogen 3.120 N/A GLN 226.A N TYR 223.A O no hydrogen 3.471 N/A GLN 226.A NE2 PHE 218.A O no hydrogen 3.061 N/A ASN 228.A ND2 ASP 225.A OD1 no hydrogen 3.429 N/A HIS 229.A N ASP 225.A O no hydrogen 3.295 N/A HIS 229.A ND1 ASP 225.A O no hydrogen 3.106 N/A ILE 230.A N GLN 226.A O no hydrogen 3.339 N/A LEU 231.A N LEU 227.A O no hydrogen 3.039 N/A GLY 232.A N ASN 228.A O no hydrogen 3.105 N/A ILE 233.A N ILE 230.A O no hydrogen 3.199 N/A LEU 234.A N ILE 230.A O no hydrogen 2.868 N/A GLY 235.A N LEU 231.A O no hydrogen 2.806 N/A SER 236.A N LYS 260.A O no hydrogen 2.938 N/A SER 236.A OG LYS 260.A O no hydrogen 3.293 N/A ASP 241.A N SER 238.A OG no hydrogen 3.260 N/A LEU 242.A N SER 238.A O no hydrogen 2.906 N/A ASN 243.A N GLN 239.A O no hydrogen 3.005 N/A ASN 243.A N GLU 240.A O no hydrogen 3.303 N/A CYS 244.A SG GLU 240.A O no hydrogen 3.553 N/A ILE 245.A N LEU 242.A O no hydrogen 3.209 N/A ALA 250.A N ASN 247.A OD1 no hydrogen 2.632 N/A ARG 251.A N ASN 247.A O no hydrogen 3.200 N/A ASN 252.A N LEU 248.A O no hydrogen 2.888 N/A TYR 253.A N LYS 249.A O no hydrogen 3.186 N/A LEU 254.A N ALA 250.A O no hydrogen 3.112 N/A LEU 255.A N ARG 251.A O no hydrogen 2.941 N/A SER 256.A N ASN 252.A O no hydrogen 3.009 N/A SER 256.A N TYR 253.A O no hydrogen 3.110 N/A SER 256.A OG TYR 253.A O no hydrogen 2.710 N/A LEU 257.A N LEU 254.A O no hydrogen 3.282 N/A LYS 260.A N SER 236.A OG no hydrogen 2.863 N/A LYS 262.A NZ ASP 281.A OD1 no hydrogen 3.547 N/A VAL 263.A N ILE 233.A O no hydrogen 2.782 N/A TRP 265.A NE1 ASP 281.A OD1 no hydrogen 3.039 N/A ARG 267.A N PRO 264.A O no hydrogen 2.952 N/A LEU 268.A N TRP 265.A O no hydrogen 3.052 N/A PHE 269.A N TRP 265.A O no hydrogen 2.687 N/A ALA 272.A N PHE 269.A O no hydrogen 3.342 N/A LYS 275.A N ASP 273.A OD1 no hydrogen 2.745 N/A LYS 275.A NZ GLU 304.A OE2 no hydrogen 3.086 N/A LEU 277.A N ASP 273.A O no hydrogen 3.097 N/A ASP 278.A N SER 274.A O no hydrogen 3.179 N/A LEU 279.A N LYS 275.A O no hydrogen 3.142 N/A LEU 280.A N ALA 276.A O no hydrogen 2.938 N/A ASP 281.A N LEU 277.A O no hydrogen 3.068 N/A LYS 282.A N ASP 278.A O no hydrogen 3.363 N/A LYS 282.A N LEU 279.A O no hydrogen 3.239 N/A LYS 282.A NZ ASP 278.A OD2 no hydrogen 3.179 N/A MET 283.A N LEU 279.A O no hydrogen 3.140 N/A MET 283.A N LEU 280.A O no hydrogen 3.244 N/A LEU 284.A N LEU 280.A O no hydrogen 2.928 N/A THR 285.A OG1 ASP 281.A O no hydrogen 3.042 N/A THR 285.A OG1 LYS 282.A O no hydrogen 2.926 N/A ASN 287.A ND2 ASP 241.A OD1 no hydrogen 3.232 N/A HIS 289.A N ASN 287.A OD1 no hydrogen 2.970 N/A LYS 290.A N ASN 287.A O no hydrogen 3.105 N/A ARG 291.A N ASN 287.A O no hydrogen 3.104 N/A ARG 291.A NE THR 285.A O no hydrogen 2.991 N/A ARG 291.A NH1 GLU 187.A OE2 no hydrogen 2.588 N/A ARG 291.A NH1 SER 198.A O no hydrogen 2.961 N/A ARG 291.A NH2 GLU 187.A OE1 no hydrogen 2.963 N/A ARG 291.A NH2 GLU 187.A OE2 no hydrogen 3.048 N/A ARG 291.A NH2 THR 285.A O no hydrogen 2.932 N/A ILE 292.A N LYS 282.A O no hydrogen 3.136 N/A GLU 293.A N GLN 296.A OE1 no hydrogen 3.253 N/A ALA 297.A N GLU 293.A O no hydrogen 2.849 N/A LEU 298.A N VAL 294.A O no hydrogen 3.146 N/A HIS 300.A N ALA 297.A O no hydrogen 3.109 N/A HIS 300.A NE2 ASP 278.A OD2 no hydrogen 2.787 N/A TYR 302.A N HIS 300.A ND1 no hydrogen 3.082 N/A TYR 302.A OH ASN 113.A OD1 no hydrogen 3.045 N/A LEU 303.A N HIS 300.A O no hydrogen 2.861 N/A GLU 304.A N PRO 301.A O no hydrogen 3.210 N/A TYR 306.A N LEU 303.A O no hydrogen 3.158 N/A TYR 307.A N LEU 303.A O no hydrogen 2.951 N/A ASP 308.A N GLU 312.A OE2 no hydrogen 2.836 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.722 N/A ASP 311.A N ASP 308.A O no hydrogen 2.811 N/A GLU 312.A N PRO 309.A O no hydrogen 3.262 N/A ALA 315.A N SER 132.A OG no hydrogen 2.858 N/A PHE 319.A N ALA 133.A O no hydrogen 2.972 N/A LEU 325.A N MET 323.A O no hydrogen 2.840 N/A LEU 333.A N PRO 329.A O no hydrogen 3.257 N/A LYS 334.A N LYS 330.A O no hydrogen 3.335 N/A LYS 334.A NZ ILE 85.A O no hydrogen 2.882 N/A LYS 334.A NZ MET 88.A O no hydrogen 3.127 N/A GLU 335.A N GLU 331.A O no hydrogen 3.261 N/A LEU 336.A N LYS 332.A O no hydrogen 3.155 N/A ILE 337.A N LEU 333.A O no hydrogen 2.997 N/A PHE 338.A N LYS 334.A O no hydrogen 2.838 N/A GLU 339.A N GLU 335.A O no hydrogen 3.142 N/A GLU 340.A N LEU 336.A O no hydrogen 3.003 N/A THR 341.A N ILE 337.A O no hydrogen 3.112 N/A THR 341.A OG1 ILE 337.A O no hydrogen 2.829 N/A THR 341.A OG1 PHE 338.A O no hydrogen 3.098 N/A ALA 342.A N GLU 339.A O no hydrogen 3.383 N/A PHE 344.A N THR 341.A O no hydrogen 3.391 N/A GLN 345.A N ALA 342.A O no hydrogen 3.115 N/A GLN 345.A NE2 ARG 81.A O no hydrogen 3.482 N/A