Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dtg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ALA 48.A O no hydrogen 3.278 N/A THR 4.A OG1 ALA 48.A O no hydrogen 3.387 N/A THR 4.A OG1 GLN 49.A OE1 no hydrogen 3.492 N/A SER 6.A N VAL 50.A O no hydrogen 2.902 N/A ASN 8.A N HIS 33.A NE2 no hydrogen 2.895 N/A ASN 8.A ND2 ASP 32.A O no hydrogen 2.964 N/A ASN 10.A N ASN 8.A OD1 no hydrogen 2.737 N/A ALA 12.A N ASP 32.A OD1 no hydrogen 2.770 N/A VAL 16.A N THR 13.A OG1 no hydrogen 3.029 N/A ARG 17.A N THR 13.A O no hydrogen 2.852 N/A ARG 17.A NH1 ASP 14.A OD1 no hydrogen 3.482 N/A ARG 17.A NH2 ASP 14.A OD1 no hydrogen 3.182 N/A GLU 18.A N ASP 14.A O no hydrogen 2.980 N/A SER 19.A N ALA 15.A O no hydrogen 2.908 N/A ILE 20.A N VAL 16.A O no hydrogen 2.985 N/A LEU 21.A N ARG 17.A O no hydrogen 2.932 N/A ALA 22.A N GLU 18.A O no hydrogen 3.074 N/A ALA 22.A N SER 19.A O no hydrogen 3.112 N/A ASN 23.A N SER 19.A O no hydrogen 3.145 N/A THR 31.A N ALA 165.A O no hydrogen 3.179 N/A THR 31.A OG1 HIS 33.A O no hydrogen 3.210 N/A THR 31.A OG1 ASP 125.A OD2 no hydrogen 2.897 N/A HIS 33.A N ASP 125.A OD2 no hydrogen 2.772 N/A HIS 33.A ND1 ASP 125.A OD1 no hydrogen 3.114 N/A MET 34.A N ILE 51.A O no hydrogen 2.796 N/A VAL 35.A N LEU 163.A O no hydrogen 2.948 N/A SER 36.A N GLN 49.A O no hydrogen 2.901 N/A ILE 37.A N TYR 161.A O no hydrogen 2.979 N/A ASP 38.A N HIS 46.A O no hydrogen 2.921 N/A TYR 39.A N TYR 159.A O no hydrogen 2.854 N/A THR 40.A N GLY 44.A O no hydrogen 3.298 N/A GLU 43.A N THR 40.A OG1 no hydrogen 3.117 N/A GLY 44.A N THR 40.A O no hydrogen 2.691 N/A TRP 45.A NE1 GLU 108.A O no hydrogen 2.946 N/A HIS 46.A N ASP 38.A O no hydrogen 2.816 N/A HIS 46.A ND1 GLY 44.A O no hydrogen 2.750 N/A ASN 47.A ND2 ASP 38.A OD2 no hydrogen 2.662 N/A GLN 49.A N SER 36.A O no hydrogen 2.885 N/A VAL 50.A N THR 4.A O no hydrogen 2.717 N/A ILE 51.A N MET 34.A O no hydrogen 2.941 N/A TYR 53.A N ASP 32.A O no hydrogen 2.754 N/A SER 61.A N ASP 59.A OD1 no hydrogen 2.971 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 2.664 N/A ALA 62.A N ASP 59.A O no hydrogen 2.855 N/A ILE 63.A N GLU 148.A O no hydrogen 2.981 N/A VAL 64.A N ALA 146.A O no hydrogen 3.030 N/A LEU 65.A N ALA 62.A O no hydrogen 2.870 N/A HIS 66.A N ILE 63.A O no hydrogen 3.049 N/A HIS 66.A NE2 PRO 60.A O no hydrogen 2.880 N/A TYR 67.A N ILE 63.A O no hydrogen 2.843 N/A TYR 67.A OH LEU 151.A O no hydrogen 2.567 N/A GLN 69.A NE2 LEU 104.A O no hydrogen 2.936 N/A ILE 71.A N VAL 144.A O no hydrogen 3.088 N/A PHE 72.A N LYS 199.A O no hydrogen 3.050 N/A GLU 73.A N PRO 142.A O no hydrogen 2.882 N/A GLY 74.A N GLU 73.A OE2 no hydrogen 3.251 N/A LEU 75.A N LEU 140.A O no hydrogen 3.188 N/A LYS 76.A NZ THR 309.A O no hydrogen 3.060 N/A LYS 76.A NZ ALA 310.A O no hydrogen 3.087 N/A ALA 77.A N LEU 138.A O no hydrogen 2.925 N/A TYR 78.A N VAL 86.A O no hydrogen 2.619 N/A TRP 80.A N SER 84.A O no hydrogen 2.862 N/A TRP 80.A NE1 GLN 348.A O no hydrogen 2.773 N/A GLY 83.A N TRP 80.A O no hydrogen 2.890 N/A SER 84.A N ASP 82.A OD1 no hydrogen 2.702 N/A SER 84.A OG ASP 82.A OD1 no hydrogen 2.691 N/A ILE 85.A N ASN 363.A OD1 no hydrogen 3.105 N/A VAL 86.A N TYR 78.A O no hydrogen 2.830 N/A SER 87.A N ALA 360.A O no hydrogen 2.907 N/A SER 87.A OG LYS 76.A O no hydrogen 2.826 N/A ARG 89.A N TRP 358.A O no hydrogen 2.885 N/A ARG 89.A NH1 ASP 269.A OD1 no hydrogen 3.106 N/A ARG 89.A NH1 SER 270.A OG no hydrogen 2.839 N/A ARG 89.A NH2 ASP 269.A OD1 no hydrogen 3.440 N/A ALA 92.A N ARG 89.A O no hydrogen 3.097 N/A ASN 93.A ND2 GLU 73.A OE2 no hydrogen 2.932 N/A ASN 93.A ND2 GLY 74.A O no hydrogen 3.295 N/A ALA 94.A N PRO 90.A O no hydrogen 3.051 N/A ALA 95.A N GLU 91.A O no hydrogen 3.051 N/A ARG 96.A N ALA 92.A O no hydrogen 2.907 N/A ARG 96.A NE GLU 73.A OE1 no hydrogen 2.843 N/A ARG 96.A NH1 PRO 264.A O no hydrogen 3.363 N/A ARG 96.A NH2 GLU 73.A OE2 no hydrogen 2.925 N/A LEU 97.A N ASN 93.A O no hydrogen 2.881 N/A GLN 98.A N ALA 94.A O no hydrogen 3.400 N/A GLN 98.A NE2 LEU 109.A O no hydrogen 3.005 N/A SER 99.A N ALA 95.A O no hydrogen 3.128 N/A SER 100.A N ARG 96.A O no hydrogen 2.823 N/A SER 100.A OG ARG 96.A O no hydrogen 3.211 N/A ALA 101.A N LEU 97.A O no hydrogen 2.866 N/A ARG 102.A N GLN 98.A O no hydrogen 3.122 N/A ARG 103.A N SER 99.A O no hydrogen 3.256 N/A ARG 103.A NE GLY 194.A O no hydrogen 3.092 N/A ARG 103.A NH1 ARG 103.A O no hydrogen 2.871 N/A ARG 103.A NH2 GLY 193.A O no hydrogen 3.486 N/A ARG 103.A NH2 GLY 194.A O no hydrogen 3.059 N/A LEU 104.A N SER 100.A O no hydrogen 3.140 N/A LEU 104.A N ALA 101.A O no hydrogen 3.171 N/A ALA 105.A N ARG 102.A O no hydrogen 3.215 N/A ILE 106.A N ALA 101.A O no hydrogen 2.826 N/A VAL 113.A N PRO 110.A O no hydrogen 2.882 N/A PHE 114.A N PRO 110.A O no hydrogen 2.978 N/A ILE 115.A N GLU 111.A O no hydrogen 2.952 N/A GLU 116.A N GLU 112.A O no hydrogen 2.931 N/A SER 117.A N VAL 113.A O no hydrogen 2.822 N/A SER 117.A OG PHE 114.A O no hydrogen 2.494 N/A SER 117.A OG TYR 161.A OH no hydrogen 2.770 N/A LEU 118.A N PHE 114.A O no hydrogen 3.301 N/A ARG 119.A N ILE 115.A O no hydrogen 3.222 N/A ARG 119.A NH1 GLU 112.A OE2 no hydrogen 3.545 N/A GLN 120.A N GLU 116.A O no hydrogen 2.957 N/A GLN 120.A NE2 GLU 116.A OE2 no hydrogen 3.324 N/A LEU 121.A N SER 117.A O no hydrogen 3.111 N/A ILE 122.A N LEU 118.A O no hydrogen 3.118 N/A ALA 123.A N ARG 119.A O no hydrogen 2.883 N/A VAL 124.A N GLN 120.A O no hydrogen 3.363 N/A VAL 124.A N LEU 121.A O no hydrogen 3.214 N/A ASP 125.A N LEU 121.A O no hydrogen 2.771 N/A TRP 128.A N ASP 125.A O no hydrogen 2.912 N/A TRP 128.A NE1 ASP 32.A OD2 no hydrogen 2.806 N/A VAL 129.A N GLU 126.A O no hydrogen 2.962 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 2.588 N/A SER 137.A N ALA 168.A O no hydrogen 2.969 N/A SER 137.A OG ALA 77.A O no hydrogen 2.741 N/A LEU 138.A N ALA 77.A O no hydrogen 3.120 N/A TYR 139.A N SER 166.A O no hydrogen 2.901 N/A LEU 140.A N LEU 75.A O no hydrogen 2.758 N/A ARG 141.A N ILE 164.A O no hydrogen 2.790 N/A ARG 141.A NE GLU 73.A O no hydrogen 2.837 N/A ARG 141.A NH2 TYR 139.A OH no hydrogen 2.833 N/A PHE 143.A N LEU 162.A O no hydrogen 2.915 N/A VAL 144.A N ILE 71.A O no hydrogen 3.089 N/A ILE 145.A N ARG 160.A O no hydrogen 3.176 N/A ALA 146.A N GLN 69.A O no hydrogen 3.128 N/A THR 147.A N GLU 158.A O no hydrogen 2.939 N/A GLU 148.A N SER 156.A OG no hydrogen 3.332 N/A GLY 150.A N SER 61.A OG no hydrogen 3.168 N/A ARG 154.A NH1 GLY 150.A O no hydrogen 3.207 N/A ARG 154.A NH1 GLY 152.A O no hydrogen 2.779 N/A ARG 154.A NH2 GLU 148.A OE2 no hydrogen 2.960 N/A ARG 154.A NH2 PRO 149.A O no hydrogen 3.235 N/A SER 156.A N GLN 69.A OE1 no hydrogen 2.909 N/A SER 156.A OG GLU 158.A O no hydrogen 2.720 N/A ASN 157.A N GLU 148.A OE1 no hydrogen 2.659 N/A GLU 158.A N SER 156.A OG no hydrogen 3.183 N/A TYR 159.A N TYR 39.A O no hydrogen 3.040 N/A TYR 159.A OH SER 156.A O no hydrogen 2.632 N/A ARG 160.A N ILE 145.A O no hydrogen 3.087 N/A ARG 160.A NE SER 36.A OG no hydrogen 2.743 N/A ARG 160.A NH2 SER 36.A OG no hydrogen 3.052 N/A TYR 161.A N ILE 37.A O no hydrogen 2.794 N/A TYR 161.A OH SER 117.A OG no hydrogen 2.770 N/A LEU 162.A N PHE 143.A O no hydrogen 2.820 N/A LEU 163.A N VAL 35.A O no hydrogen 2.914 N/A ILE 164.A N ARG 141.A O no hydrogen 3.221 N/A SER 166.A N TYR 139.A O no hydrogen 2.779 N/A SER 166.A OG TYR 29.A O no hydrogen 2.544 N/A ALA 168.A N SER 137.A O no hydrogen 2.798 N/A GLY 169.A N GLY 25.A O no hydrogen 2.810 N/A GLY 175.A N PHE 172.A O no hydrogen 3.117 N/A VAL 179.A N PRO 315.A O no hydrogen 2.848 N/A SER 180.A N ASP 220.A OD2 no hydrogen 2.924 N/A SER 180.A OG ASP 220.A OD2 no hydrogen 3.275 N/A VAL 181.A N HIS 318.A O no hydrogen 2.850 N/A TRP 182.A N GLN 221.A O no hydrogen 2.861 N/A LEU 183.A N LYS 320.A O no hydrogen 2.891 N/A SER 184.A N VAL 223.A O no hydrogen 2.976 N/A SER 184.A OG TYR 187.A O no hydrogen 3.505 N/A TYR 187.A N SER 184.A OG no hydrogen 3.049 N/A ARG 189.A NE GLU 235.A OE2 no hydrogen 3.357 N/A THR 195.A OG1 ASN 203.A OD1 no hydrogen 2.830 N/A ALA 198.A N THR 195.A O no hydrogen 3.104 N/A LYS 199.A N SER 100.A OG no hydrogen 2.825 N/A ASN 203.A N PHE 200.A O no hydrogen 2.952 N/A ASN 203.A ND2 THR 195.A O no hydrogen 2.865 N/A TYR 204.A N GLY 201.A O no hydrogen 2.972 N/A ALA 205.A N GLY 201.A O no hydrogen 3.162 N/A ALA 206.A N GLY 202.A O no hydrogen 3.154 N/A SER 207.A N TYR 204.A O no hydrogen 3.091 N/A SER 207.A OG TYR 204.A O no hydrogen 2.894 N/A LEU 208.A N ALA 205.A O no hydrogen 3.513 N/A GLN 211.A N SER 207.A O no hydrogen 3.139 N/A GLN 211.A NE2 ASP 220.A O no hydrogen 2.905 N/A ALA 212.A N LEU 208.A O no hydrogen 3.015 N/A GLN 213.A N LEU 209.A O no hydrogen 2.941 N/A GLN 213.A NE2 GLU 186.A OE1 no hydrogen 3.133 N/A ALA 214.A N ALA 210.A O no hydrogen 3.095 N/A ALA 215.A N GLN 211.A O no hydrogen 3.057 N/A GLU 216.A N ALA 212.A O no hydrogen 2.962 N/A MET 217.A N GLN 213.A O no hydrogen 2.955 N/A MET 217.A N ALA 214.A O no hydrogen 3.105 N/A GLY 218.A N ALA 215.A O no hydrogen 2.906 N/A CYS 219.A N ALA 214.A O no hydrogen 2.936 N/A ASP 220.A N SER 180.A O no hydrogen 3.154 N/A ASP 220.A N SER 180.A OG no hydrogen 2.998 N/A GLN 221.A N SER 180.A O no hydrogen 3.043 N/A VAL 222.A N GLN 211.A OE1 no hydrogen 3.183 N/A VAL 223.A N TRP 182.A O no hydrogen 2.792 N/A TRP 224.A N GLU 235.A O no hydrogen 2.711 N/A ASP 226.A N TYR 232.A O no hydrogen 2.719 N/A GLU 229.A N ASP 226.A OD2 no hydrogen 2.552 N/A ARG 230.A N ASP 226.A O no hydrogen 2.972 N/A ARG 230.A NE ASP 226.A O no hydrogen 2.990 N/A ARG 230.A NH2 LEU 225.A O no hydrogen 2.594 N/A ARG 230.A NH2 ASP 226.A O no hydrogen 3.218 N/A ARG 231.A N ASP 226.A OD1 no hydrogen 2.892 N/A TYR 232.A N ASP 226.A OD1 no hydrogen 2.785 N/A VAL 233.A N ILE 287.A O no hydrogen 2.913 N/A GLU 234.A N TRP 224.A O no hydrogen 2.818 N/A MET 236.A N MET 239.A O no hydrogen 2.880 N/A GLY 237.A N VAL 222.A O no hydrogen 2.929 N/A MET 239.A N MET 236.A O no hydrogen 2.906 N/A ASN 240.A N CYS 307.A O no hydrogen 3.033 N/A ASN 240.A ND2 LEU 263.A O no hydrogen 3.211 N/A PHE 242.A N PHE 305.A O no hydrogen 2.865 N/A PHE 243.A N VAL 254.A O no hydrogen 2.704 N/A VAL 244.A N GLU 303.A O no hydrogen 2.811 N/A PHE 245.A N ARG 252.A O no hydrogen 2.843 N/A GLY 246.A N GLU 300.A O no hydrogen 2.894 N/A SER 247.A OG GLU 335.A OE2 no hydrogen 3.452 N/A GLY 248.A N SER 247.A OG no hydrogen 2.784 N/A SER 250.A OG SER 247.A O no hydrogen 3.413 N/A ALA 251.A N GLY 248.A O no hydrogen 3.174 N/A ARG 252.A N PHE 245.A O no hydrogen 2.911 N/A LEU 253.A N ALA 281.A O no hydrogen 2.820 N/A VAL 254.A N PHE 243.A O no hydrogen 2.829 N/A THR 255.A N GLU 283.A O no hydrogen 2.940 N/A THR 255.A OG1 LEU 241.A O no hydrogen 2.639 N/A GLU 257.A N GLU 257.A OE2 no hydrogen 2.640 N/A SER 259.A N GLU 257.A O no hydrogen 2.882 N/A LEU 263.A N GLU 235.A OE2 no hydrogen 3.071 N/A ARG 268.A NH2 PRO 256.A O no hydrogen 3.103 N/A ARG 268.A NH2 GLU 284.A OE1 no hydrogen 2.683 N/A ASP 269.A N GLY 265.A O no hydrogen 3.087 N/A SER 270.A N ILE 266.A O no hydrogen 2.981 N/A SER 270.A OG ILE 266.A O no hydrogen 2.720 N/A LEU 271.A N THR 267.A O no hydrogen 2.832 N/A LEU 272.A N ARG 268.A O no hydrogen 3.053 N/A GLN 273.A N ASP 269.A O no hydrogen 3.352 N/A GLN 273.A NE2 GLN 273.A O no hydrogen 3.459 N/A GLN 273.A NE2 ASP 277.A OD1 no hydrogen 3.022 N/A LEU 274.A N SER 270.A O no hydrogen 2.870 N/A ALA 275.A N LEU 271.A O no hydrogen 2.794 N/A THR 276.A N LEU 272.A O no hydrogen 3.148 N/A THR 276.A OG1 LEU 272.A O no hydrogen 3.137 N/A ASP 277.A N GLN 273.A O no hydrogen 2.840 N/A ALA 278.A N LEU 274.A O no hydrogen 2.899 N/A GLY 279.A N ALA 275.A O no hydrogen 3.128 N/A GLY 279.A N THR 276.A O no hydrogen 2.963 N/A PHE 280.A N ALA 275.A O no hydrogen 2.953 N/A GLU 283.A N LEU 253.A O no hydrogen 2.829 N/A ARG 285.A N THR 255.A O no hydrogen 3.094 N/A ARG 285.A NE GLU 283.A OE1 no hydrogen 3.054 N/A ARG 285.A NH1 LYS 286.A O no hydrogen 2.965 N/A ARG 285.A NH1 GLU 291.A OE1 no hydrogen 2.967 N/A ARG 285.A NH2 GLU 291.A OE2 no hydrogen 2.893 N/A VAL 289.A N ARG 231.A O no hydrogen 3.219 N/A GLU 291.A N ASP 288.A OD2 no hydrogen 2.825 N/A TRP 292.A N ASP 288.A O no hydrogen 3.055 N/A GLN 293.A N VAL 289.A O no hydrogen 2.900 N/A LYS 294.A N ASP 290.A O no hydrogen 2.995 N/A LYS 295.A N GLU 291.A O no hydrogen 2.836 N/A LYS 295.A NZ GLU 291.A OE2 no hydrogen 2.698 N/A ALA 296.A N TRP 292.A O no hydrogen 2.891 N/A GLY 297.A N GLN 293.A O no hydrogen 2.949 N/A ALA 298.A N LYS 294.A O no hydrogen 2.944 N/A GLY 299.A N LYS 295.A O no hydrogen 2.812 N/A GLY 299.A N ALA 296.A O no hydrogen 3.044 N/A GLU 300.A N LYS 295.A O no hydrogen 2.863 N/A ILE 301.A N LYS 295.A O no hydrogen 3.186 N/A THR 302.A N VAL 244.A O no hydrogen 2.904 N/A THR 302.A OG1 VAL 244.A O no hydrogen 3.310 N/A THR 302.A OG1 GLY 246.A O no hydrogen 2.467 N/A GLU 303.A N VAL 244.A O no hydrogen 3.500 N/A PHE 305.A N PHE 242.A O no hydrogen 3.117 N/A ALA 306.A N THR 314.A O no hydrogen 2.809 N/A CYS 307.A N ASN 240.A O no hydrogen 2.851 N/A CYS 307.A SG ASN 240.A O no hydrogen 3.994 N/A GLY 308.A N VAL 312.A O no hydrogen 3.001 N/A THR 309.A OG1 GLY 74.A O no hydrogen 3.358 N/A VAL 312.A N GLY 308.A O no hydrogen 2.652 N/A THR 314.A N ALA 306.A O no hydrogen 2.872 N/A VAL 316.A N VAL 304.A O no hydrogen 2.836 N/A SER 317.A N VAL 179.A O no hydrogen 3.023 N/A HIS 318.A ND1 THR 327.A OG1 no hydrogen 2.740 N/A HIS 318.A NE2 GLU 325.A OE2 no hydrogen 2.778 N/A VAL 319.A N PHE 326.A O no hydrogen 2.805 N/A LYS 320.A N VAL 181.A O no hydrogen 2.881 N/A HIS 321.A N GLY 324.A O no hydrogen 2.939 N/A HIS 321.A NE2 GLN 293.A OE1 no hydrogen 2.738 N/A HIS 322.A ND1 ASP 323.A OD1 no hydrogen 3.202 N/A ASP 323.A N HIS 321.A ND1 no hydrogen 3.089 N/A GLY 324.A N HIS 321.A O no hydrogen 3.189 N/A PHE 326.A N VAL 319.A O no hydrogen 2.889 N/A THR 327.A OG1 HIS 318.A ND1 no hydrogen 2.740 N/A ILE 328.A N SER 317.A O no hydrogen 2.757 N/A GLY 331.A N ILE 328.A O no hydrogen 2.959 N/A GLN 332.A N ASP 330.A OD1 no hydrogen 2.833 N/A GLN 332.A NE2 GLY 331.A O no hydrogen 3.612 N/A ILE 336.A N GLU 303.A OE1 no hydrogen 2.904 N/A THR 337.A N GLU 303.A OE2 no hydrogen 2.729 N/A THR 337.A OG1 GLU 303.A OE2 no hydrogen 2.658 N/A MET 338.A N GLY 334.A O no hydrogen 3.081 N/A ALA 339.A N GLU 335.A O no hydrogen 2.826 N/A LEU 340.A N ILE 336.A O no hydrogen 2.956 N/A ARG 341.A N THR 337.A O no hydrogen 3.143 N/A ARG 341.A NE ILE 313.A O no hydrogen 3.050 N/A ARG 341.A NH2 ALA 311.A O no hydrogen 2.983 N/A ASP 342.A N MET 338.A O no hydrogen 2.927 N/A THR 343.A N ALA 339.A O no hydrogen 3.073 N/A THR 343.A OG1 ALA 339.A O no hydrogen 3.102 N/A LEU 344.A N LEU 340.A O no hydrogen 2.933 N/A THR 345.A N ARG 341.A O no hydrogen 2.999 N/A THR 345.A OG1 ARG 341.A O no hydrogen 2.771 N/A THR 345.A OG1 ASP 342.A O no hydrogen 3.252 N/A GLY 346.A N ASP 342.A O no hydrogen 2.856 N/A ILE 347.A N THR 343.A O no hydrogen 3.002 N/A GLN 348.A N LEU 344.A O no hydrogen 3.098 N/A ARG 349.A N THR 345.A O no hydrogen 2.943 N/A GLY 350.A N ILE 347.A O no hydrogen 3.136 N/A THR 351.A N GLY 346.A O no hydrogen 2.796 N/A PHE 352.A N GLY 346.A O no hydrogen 3.129 N/A HIS 356.A NE2 ASP 277.A OD2 no hydrogen 2.607 N/A GLY 357.A N ASP 354.A O no hydrogen 3.181 N/A TRP 358.A N ASP 354.A OD1 no hydrogen 2.842 N/A MET 359.A N ASP 354.A OD2 no hydrogen 2.864 N/A ALA 360.A N SER 87.A O no hydrogen 3.016 N/A LEU 362.A N ILE 85.A O no hydrogen 2.696 N/A ASN 363.A N ILE 85.A O no hydrogen 3.075 N/A