Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nbo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N PRO 27.A O no hydrogen 3.387 N/A LEU 2.A N PRO 27.A O no hydrogen 2.871 N/A LYS 3.A N ASP 93.A OD2 no hydrogen 2.770 N/A VAL 4.A N ASP 29.A O no hydrogen 2.758 N/A ALA 5.A N LEU 94.A O no hydrogen 2.870 N/A ILE 6.A N VAL 32.A O.A no hydrogen 3.126 N/A ILE 6.A N VAL 32.A O.B no hydrogen 3.109 N/A ASN 7.A N ILE 96.A O no hydrogen 2.954 N/A ASN 7.A ND2 GLU 97.A OE2 no hydrogen 2.653 N/A GLY 8.A N ASN 34.A O.A no hydrogen 2.654 N/A GLY 8.A N ASN 34.A O.B no hydrogen 3.053 N/A PHE 9.A N ASP 35.A OD2.A no hydrogen 2.397 N/A ARG 11.A NE GLU 317.A OE2 no hydrogen 2.687 N/A ARG 11.A NH1 ASP 49.A OD1 no hydrogen 3.358 N/A ARG 11.A NH1 ASP 49.A OD2 no hydrogen 2.575 N/A ARG 11.A NH2 ASP 49.A OD1 no hydrogen 2.964 N/A ARG 11.A NH2 GLU 317.A OE1 no hydrogen 2.897 N/A ARG 11.A NH2 GLU 317.A OE2 no hydrogen 3.488 N/A ARG 14.A N GLY 10.A O no hydrogen 2.823 N/A ARG 14.A NE LEU 45.A O no hydrogen 3.310 N/A ARG 14.A NH1 PHE 9.A O no hydrogen 2.764 N/A ASN 15.A N ARG 11.A O no hydrogen 2.799 N/A PHE 16.A N ILE 12.A O no hydrogen 2.641 N/A LEU 17.A N GLY 13.A O no hydrogen 3.167 N/A ARG 18.A N ARG 14.A O no hydrogen 3.213 N/A ARG 18.A NH1 GLY 53.A O no hydrogen 3.568 N/A ARG 18.A NH2 GLY 53.A O no hydrogen 3.072 N/A CYS 19.A N ASN 15.A O no hydrogen 2.712 N/A CYS 19.A SG ASN 15.A O no hydrogen 3.464 N/A CYS 19.A SG TRP 318.A O no hydrogen 3.837 N/A GLY 22.A N ARG 18.A O no hydrogen 3.240 N/A GLY 22.A N CYS 19.A O no hydrogen 3.150 N/A ARG 23.A N TRP 20A.A O no hydrogen 2.903 N/A ARG 23.A NH1 GLN 322.A O no hydrogen 3.541 N/A ARG 23.A NH2 ASP 326.A OD1 no hydrogen 2.401 N/A LEU 28.A N SER 26.A OG no hydrogen 3.018 N/A ASP 29.A N LEU 2.A O no hydrogen 2.860 N/A VAL 31.A N VAL 4.A O no hydrogen 2.965 N/A ILE 33.A N.A LYS 75.A O no hydrogen 2.739 N/A ILE 33.A N.B LYS 75.A O no hydrogen 2.782 N/A ASN 34.A N.A ILE 6.A O no hydrogen 2.721 N/A ASN 34.A N.B ILE 6.A O no hydrogen 2.865 N/A ASN 34.A ND2.A ASN 7.A OD1 no hydrogen 2.597 N/A ASN 34.A ND2.A ASP 79.A O no hydrogen 3.076 N/A ASN 34.A ND2.B ASN 7.A OD1 no hydrogen 2.857 N/A ASN 34.A ND2.B ASP 79.A O no hydrogen 2.858 N/A ASP 35.A N.A VAL 77.A O no hydrogen 3.235 N/A ASP 35.A N.B VAL 77.A O no hydrogen 3.066 N/A THR 36.A OG1.B ASP 35.A OD1.A no hydrogen 2.549 N/A GLY 37.A N.A ASP 35.A OD1.A no hydrogen 3.113 N/A GLY 37.A N.A ASP 35.A OD1.B no hydrogen 2.594 N/A GLY 37.A N.B ASP 35.A OD1.A no hydrogen 3.100 N/A GLY 37.A N.B ASP 35.A OD1.B no hydrogen 2.623 N/A ALA 42.A N GLY 38.A O.A no hydrogen 2.962 N/A ALA 42.A N GLY 38.A O.B no hydrogen 2.950 N/A SER 43.A N VAL 39.A O no hydrogen 3.199 N/A SER 43.A OG LYS 40.A O no hydrogen 3.285 N/A HIS 44.A N LYS 40.A O no hydrogen 2.923 N/A LEU 45.A N GLN 41.A O no hydrogen 3.030 N/A LYS 47.A N SER 43.A O no hydrogen 3.034 N/A LYS 47.A NZ ALA 57.A O no hydrogen 3.550 N/A TYR 48.A N HIS 44.A O no hydrogen 2.863 N/A ILE 51.A N ASP 49.A OD1 no hydrogen 2.805 N/A LEU 52.A N ASP 49.A OD1 no hydrogen 2.633 N/A GLY 53.A N ASP 49.A O no hydrogen 2.741 N/A PHE 55.A N LYS 47.A O no hydrogen 2.990 N/A ALA 57.A N PHE 55.A O no hydrogen 2.749 N/A ASP 58.A N ASP 70.A OD1 no hydrogen 3.089 N/A LYS 60.A N SER 68.A O no hydrogen 3.068 N/A ALA 62.A N ALA 66.A O no hydrogen 2.644 N/A ALA 66.A N ALA 62.A O no hydrogen 3.148 N/A ILE 67.A N ILE 74.A O no hydrogen 3.012 N/A SER 68.A N LYS 60.A O no hydrogen 2.764 N/A VAL 69.A N LYS 72.A O no hydrogen 2.924 N/A ASP 70.A N ASP 58.A O no hydrogen 2.947 N/A LYS 72.A N VAL 69.A O no hydrogen 3.030 N/A LYS 72.A NZ ASP 29.A OD1 no hydrogen 3.472 N/A ILE 74.A N ILE 67.A O no hydrogen 2.792 N/A LYS 75.A N VAL 31.A O no hydrogen 2.793 N/A VAL 76.A N SER 65.A O no hydrogen 2.991 N/A VAL 77.A N ILE 33.A O.A no hydrogen 2.918 N/A VAL 77.A N ILE 33.A O.B no hydrogen 2.790 N/A SER 78.A OG ASP 35.A O.A no hydrogen 2.808 N/A SER 78.A OG ASP 35.A O.B no hydrogen 2.583 N/A ASP 79.A N ASN 34.A OD1.A no hydrogen 2.845 N/A ASP 79.A N ASN 34.A OD1.B no hydrogen 2.895 N/A ASN 81.A ND2 ASN 84.A OD1 no hydrogen 3.284 N/A ASN 84.A N ASN 81.A O no hydrogen 2.909 N/A LEU 85.A N PRO 82.A O no hydrogen 2.778 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 3.060 N/A GLY 88.A N ALA 114.A O no hydrogen 2.788 N/A MET 90.A N PRO 86.A O no hydrogen 2.951 N/A GLY 91.A N GLY 88.A O no hydrogen 3.034 N/A ILE 92.A N TRP 87.A O no hydrogen 2.888 N/A ASP 93.A N LYS 3.A O no hydrogen 2.776 N/A LEU 94.A N LYS 3.A O no hydrogen 3.055 N/A VAL 95.A N LYS 118.A O no hydrogen 2.729 N/A ILE 96.A N ALA 5.A O no hydrogen 2.750 N/A GLU 97.A N LEU 120.A O no hydrogen 2.827 N/A GLY 98.A N ASN 7.A O no hydrogen 2.779 N/A THR 99.A N GLU 97.A OE1 no hydrogen 2.766 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 2.836 N/A VAL 101.A N THR 99.A OG1 no hydrogen 3.117 N/A ARG 105.A NH2 ASP 128.A O no hydrogen 2.429 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 2.889 N/A ALA 108.A N ASP 104.A O no hydrogen 2.935 N/A GLY 109.A N ARG 105.A O no hydrogen 2.760 N/A LYS 110.A N GLY 107.A O no hydrogen 2.897 N/A HIS 111.A N ALA 108.A O no hydrogen 2.913 N/A HIS 111.A NE2 GLU 97.A OE2 no hydrogen 2.891 N/A GLN 113.A N GLY 109.A O no hydrogen 3.285 N/A ALA 114.A N HIS 111.A O no hydrogen 3.120 N/A GLY 115.A N LEU 112.A O no hydrogen 2.921 N/A ALA 116.A N HIS 111.A O no hydrogen 3.110 N/A LYS 117.A NZ ASP 93.A OD1 no hydrogen 2.729 N/A LYS 118.A NZ TYR 141.A OH no hydrogen 2.327 N/A LYS 118.A NZ HIS 143.A O no hydrogen 2.973 N/A LYS 118.A NZ ASP 145.A O no hydrogen 2.624 N/A VAL 119.A N THR 146.A O no hydrogen 3.201 N/A LEU 120.A N VAL 95.A O no hydrogen 2.777 N/A ILE 121.A N ILE 148.A O no hydrogen 2.938 N/A THR 122.A N GLU 97.A O no hydrogen 3.020 N/A THR 122.A OG1 GLU 97.A O no hydrogen 2.940 N/A GLY 125.A N SER 149.A OG no hydrogen 3.170 N/A ILE 129.A N GLY 127.A O no hydrogen 3.057 N/A THR 131.A OG1 ILE 129.A O no hydrogen 3.360 N/A TYR 132.A N SER 149.A O no hydrogen 2.980 N/A TYR 132.A OH GLY 140.A O no hydrogen 3.384 N/A TYR 132.A OH ASP 145.A OD2 no hydrogen 2.635 N/A GLY 135.A N GLU 138.A OE1 no hydrogen 3.127 N/A GLY 135.A N GLU 138.A OE2 no hydrogen 3.196 N/A VAL 136.A N VAL 133.A O no hydrogen 2.928 N/A ASN 137.A N VAL 133.A O no hydrogen 3.267 N/A ASN 137.A ND2 VAL 133.A O no hydrogen 3.682 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.592 N/A GLY 140.A N ASN 137.A O no hydrogen 3.038 N/A TYR 141.A N GLU 138.A O no hydrogen 2.692 N/A THR 142.A N ASP 145.A OD2 no hydrogen 3.346 N/A ASP 145.A N THR 142.A O no hydrogen 3.000 N/A ILE 148.A N VAL 119.A O no hydrogen 3.010 N/A SER 149.A N PRO 130.A O no hydrogen 2.796 N/A SER 149.A OG ALA 123.A O no hydrogen 2.809 N/A ASN 150.A N ILE 121.A O no hydrogen 3.078 N/A ALA 151.A N SER 149.A OG no hydrogen 2.958 N/A SER 152.A OG THR 155.A OG1 no hydrogen 2.990 N/A CYS 153.A SG HIS 180.A NE2 no hydrogen 3.259 N/A THR 154.A OG1 TYR 314.A OH no hydrogen 2.799 N/A THR 155.A N SER 152.A OG no hydrogen 2.998 N/A THR 155.A OG1 SER 152.A OG no hydrogen 2.990 N/A THR 155.A OG1 ALA 213.A O no hydrogen 3.225 N/A ASN 156.A N SER 152.A O no hydrogen 3.202 N/A CYS 157.A N THR 154.A O no hydrogen 2.691 N/A CYS 157.A SG SER 293.A OG no hydrogen 3.128 N/A CYS 157.A SG ALA 312.A O no hydrogen 3.966 N/A LEU 158.A N THR 154.A O no hydrogen 2.812 N/A ALA 159.A N THR 155.A O no hydrogen 3.076 N/A VAL 162.A N LEU 158.A O no hydrogen 2.854 N/A LYS 163.A N ALA 159.A O no hydrogen 2.820 N/A LYS 163.A NZ GLY 135.A O no hydrogen 3.379 N/A LEU 165.A N PHE 161.A O no hydrogen 3.129 N/A LEU 165.A N VAL 162.A O no hydrogen 3.172 N/A ASP 166.A N VAL 162.A O no hydrogen 2.994 N/A GLN 167.A N LYS 163.A O no hydrogen 2.981 N/A LYS 168.A N LEU 165.A O no hydrogen 3.067 N/A GLY 170.A N ASP 166.A O no hydrogen 2.949 N/A ILE 172.A N GLN 248.A O no hydrogen 2.777 N/A LYS 173.A N GLN 248.A O no hydrogen 3.397 N/A GLY 174.A N LYS 227.A O no hydrogen 3.156 N/A THR 175.A N VAL 246.A O no hydrogen 2.878 N/A THR 175.A OG1 ASN 229.A O no hydrogen 3.412 N/A MET 176.A N ASN 229.A O no hydrogen 2.843 N/A THR 177.A N ASP 244.A O no hydrogen 2.854 N/A THR 178.A N ILE 231.A O no hydrogen 3.022 N/A THR 178.A OG1 VAL 242.A O no hydrogen 3.201 N/A THR 178.A OG1 TYR 314.A OH no hydrogen 2.775 N/A THR 179.A N VAL 242.A O no hydrogen 3.126 N/A THR 179.A OG1 THR 179.A O no hydrogen 2.585 N/A HIS 180.A N LEU 233.A O no hydrogen 2.807 N/A HIS 180.A ND1 SER 181.A O no hydrogen 2.787 N/A SER 181.A N SER 241.A OG no hydrogen 3.233 N/A SER 181.A OG THR 237.A OG1 no hydrogen 2.888 N/A SER 181.A OG VAL 240.A O no hydrogen 2.465 N/A TYR 182.A N THR 237.A O no hydrogen 3.081 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.348 N/A GLN 186.A N THR 183.A O no hydrogen 2.894 N/A ARG 187.A N ARG 198.A O no hydrogen 3.270 N/A ALA 191.A N ALA 199.A O no hydrogen 2.755 N/A HIS 193.A NE2 ASP 185.A OD2 no hydrogen 3.042 N/A ASP 195.A N HIS 193.A ND1 no hydrogen 2.933 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 2.697 N/A ARG 198.A N ASP 195.A O no hydrogen 2.788 N/A ARG 198.A N ASP 195.A OD1 no hydrogen 3.031 N/A ARG 198.A NE THR 209.A OG1 no hydrogen 3.039 N/A ARG 198.A NH1 ASP 185.A OD2 no hydrogen 2.505 N/A ARG 200.A N ARG 197.A O no hydrogen 3.458 N/A ALA 201.A N ASP 190.A OD1 no hydrogen 2.796 N/A ALA 202.A N ARG 187.A O no hydrogen 3.200 N/A VAL 207.A N ARG 234.A O no hydrogen 2.737 N/A THR 209.A N ALA 232.A O no hydrogen 2.740 N/A THR 209.A OG1 ASP 195.A OD2 no hydrogen 2.815 N/A ALA 213.A N THR 211.A OG1 no hydrogen 3.167 N/A ALA 216.A N GLY 212.A O no hydrogen 2.843 N/A VAL 217.A N ALA 214.A O no hydrogen 3.199 N/A ALA 218.A N LYS 215.A O no hydrogen 3.251 N/A LEU 219.A N ALA 216.A O no hydrogen 2.877 N/A LEU 221.A N VAL 217.A O no hydrogen 2.850 N/A ASN 223.A ND2 ASP 166.A OD1 no hydrogen 3.334 N/A LEU 224.A N LEU 221.A O no hydrogen 3.163 N/A LYS 225.A N PRO 222.A O no hydrogen 3.002 N/A LYS 227.A N LEU 224.A O no hydrogen 3.178 N/A LYS 227.A NZ ILE 171.A O no hydrogen 3.491 N/A LYS 227.A NZ ASN 223.A O no hydrogen 3.469 N/A GLY 230.A N ASN 229.A OD1 no hydrogen 2.476 N/A ILE 231.A N MET 176.A O no hydrogen 2.933 N/A ALA 232.A N THR 209.A O no hydrogen 3.032 N/A LEU 233.A N THR 178.A O no hydrogen 2.665 N/A ARG 234.A N VAL 207.A O no hydrogen 2.604 N/A ARG 234.A NE GLN 186.A OE1 no hydrogen 3.310 N/A VAL 235.A N HIS 180.A O no hydrogen 2.788 N/A THR 237.A N VAL 235.A O no hydrogen 2.690 N/A THR 237.A OG1 SER 181.A OG no hydrogen 2.888 N/A ASN 239.A ND2 ASP 315.A OD1 no hydrogen 2.622 N/A ASN 239.A ND2 ASP 315.A OD2 no hydrogen 3.354 N/A VAL 240.A N ASN 316.A OD1 no hydrogen 2.744 N/A SER 241.A N TYR 314.A O no hydrogen 2.858 N/A SER 241.A OG ASN 316.A OD1 no hydrogen 3.287 N/A VAL 242.A N THR 179.A O no hydrogen 3.415 N/A VAL 243.A N ALA 312.A O no hydrogen 2.633 N/A ASP 244.A N THR 177.A O no hydrogen 2.750 N/A LEU 245.A N VAL 310.A O no hydrogen 2.849 N/A VAL 246.A N THR 175.A O no hydrogen 2.902 N/A VAL 247.A N VAL 308.A O no hydrogen 2.954 N/A GLN 248.A N LYS 173.A O no hydrogen 2.711 N/A GLN 248.A NE2 ASP 306.A OD2 no hydrogen 2.858 N/A VAL 249.A N ASP 306.A O no hydrogen 2.869 N/A SER 250.A N GLY 170.A O no hydrogen 2.782 N/A SER 250.A OG GLY 170.A O no hydrogen 3.321 N/A LYS 251.A N PHE 169.A O no hydrogen 3.023 N/A THR 253.A N ASP 305.A O no hydrogen 2.815 N/A THR 253.A OG1 PHE 254.A O no hydrogen 3.341 N/A THR 253.A OG1 GLU 257.A OE2 no hydrogen 2.695 N/A GLU 257.A N PHE 254.A O no hydrogen 3.186 N/A VAL 258.A N PHE 254.A O no hydrogen 3.280 N/A ASN 259.A N ALA 255.A O no hydrogen 3.208 N/A ASN 259.A ND2 THR 300.A OG1 no hydrogen 2.778 N/A ALA 260.A N GLU 256.A O no hydrogen 3.317 N/A ALA 261.A N GLU 257.A O no hydrogen 2.729 N/A ALA 261.A N VAL 258.A O no hydrogen 3.269 N/A PHE 262.A N VAL 258.A O no hydrogen 3.373 N/A ARG 263.A N ASN 259.A O no hydrogen 2.852 N/A ARG 263.A NH2 ASP 278.A OD1 no hydrogen 3.310 N/A GLU 264.A N ALA 260.A O no hydrogen 3.114 N/A SER 265.A N ALA 261.A O no hydrogen 3.299 N/A SER 265.A OG ALA 261.A O no hydrogen 3.279 N/A ALA 266.A N PHE 262.A O no hydrogen 2.731 N/A ASN 268.A N SER 265.A O no hydrogen 2.951 N/A ASN 268.A ND2 GLU 264.A O no hydrogen 2.697 N/A LEU 270.A N SER 265.A O no hydrogen 2.721 N/A LYS 271.A N ASN 268.A O no hydrogen 3.233 N/A ILE 273.A N LEU 270.A O no hydrogen 2.934 N/A LEU 274.A N LEU 270.A O no hydrogen 2.793 N/A SER 275.A N SER 293.A O no hydrogen 2.936 N/A CYS 277.A N ILE 295.A O no hydrogen 2.725 N/A LEU 281.A N GLU 279.A O no hydrogen 2.785 N/A VAL 282.A N ASP 285.A OD2 no hydrogen 2.684 N/A ASP 285.A N VAL 282.A O no hydrogen 2.842 N/A PHE 286.A N SER 283.A O no hydrogen 2.794 N/A ARG 287.A N ILE 284.A O no hydrogen 3.391 N/A ARG 287.A NH2 ILE 51.A O no hydrogen 3.535 N/A CYS 288.A N ASP 315.A OD2 no hydrogen 2.567 N/A THR 289.A OG1 PHE 286.A O no hydrogen 3.085 N/A SER 292.A N ILE 273.A O no hydrogen 3.058 N/A SER 292.A OG ASN 156.A O no hydrogen 3.029 N/A SER 292.A OG ILE 273.A O no hydrogen 3.410 N/A SER 293.A OG CYS 157.A O no hydrogen 2.665 N/A THR 294.A N TRP 313.A O no hydrogen 2.913 N/A ILE 295.A N SER 275.A O no hydrogen 2.690 N/A ASP 296.A N ILE 311.A O no hydrogen 2.931 N/A SER 297.A N CYS 277.A O no hydrogen 3.052 N/A SER 297.A OG CYS 277.A O no hydrogen 2.723 N/A SER 297.A OG ASP 278.A OD1 no hydrogen 2.562 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 3.370 N/A LEU 299.A N ASP 296.A O no hydrogen 3.147 N/A THR 300.A N SER 297.A O no hydrogen 2.802 N/A THR 300.A OG1 SER 297.A O no hydrogen 3.310 N/A MET 301.A N LYS 309.A O no hydrogen 3.218 N/A MET 303.A N MET 307.A O no hydrogen 2.678 N/A VAL 308.A N VAL 247.A O no hydrogen 2.873 N/A LYS 309.A N MET 301.A O no hydrogen 2.746 N/A VAL 310.A N LEU 245.A O no hydrogen 2.730 N/A ALA 312.A N VAL 243.A O no hydrogen 2.926 N/A TRP 313.A N THR 294.A O no hydrogen 2.807 N/A TRP 313.A NE1 ASP 296.A OD2 no hydrogen 2.963 N/A TYR 314.A N SER 241.A O no hydrogen 2.976 N/A TYR 314.A OH THR 154.A OG1 no hydrogen 2.799 N/A TYR 314.A OH THR 178.A OG1 no hydrogen 2.775 N/A GLU 317.A N ASP 315.A OD1 no hydrogen 3.174 N/A TRP 318.A N ASP 315.A OD1 no hydrogen 3.013 N/A TRP 318.A NE1 ASP 290.A OD1 no hydrogen 2.974 N/A GLY 319.A N ASP 315.A O no hydrogen 2.815 N/A TYR 320.A OH ALA 151.A O no hydrogen 2.508 N/A SER 321.A N GLU 317.A O no hydrogen 2.935 N/A SER 321.A OG GLU 317.A O no hydrogen 3.049 N/A GLN 322.A N TRP 318.A O no hydrogen 2.911 N/A GLN 322.A NE2 ASP 290.A OD1 no hydrogen 2.866 N/A ARG 323.A N GLY 319.A O no hydrogen 3.351 N/A ARG 323.A N TYR 320.A O no hydrogen 2.745 N/A ARG 323.A NE ASP 326.A OD2 no hydrogen 2.759 N/A ARG 323.A NH1 ASP 290.A O no hydrogen 2.760 N/A ARG 323.A NH2 ASP 290.A O no hydrogen 3.178 N/A ARG 323.A NH2 ASP 326.A OD2 no hydrogen 2.897 N/A VAL 324.A N TYR 320.A O no hydrogen 2.874 N/A VAL 325.A N SER 321.A O no hydrogen 2.884 N/A ASP 326.A N GLN 322.A O no hydrogen 3.070 N/A LEU 327.A N ARG 323.A O no hydrogen 2.822 N/A ALA 328.A N VAL 324.A O no hydrogen 2.993 N/A ASP 329.A N VAL 325.A O no hydrogen 2.856 N/A ILE 330.A N ASP 326.A O no hydrogen 3.046 N/A VAL 331.A N LEU 327.A O no hydrogen 2.973 N/A ALA 332.A N ALA 328.A O no hydrogen 2.890 N/A ASN 333.A N ASP 329.A O no hydrogen 2.755 N/A LYS 334.A N ILE 330.A O no hydrogen 2.809 N/A TRP 20A.A N PHE 16.A O no hydrogen 2.751 N/A TRP 20A.A NE1 LEU 28.A O no hydrogen 3.213 N/A LYS 126A.A N VAL 103.A O no hydrogen 2.746 N/A HIS 21B.A N LEU 17.A O no hydrogen 2.920 N/A