Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vi3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG CYS 26.A O no hydrogen 3.095 N/A SER 9.A OG GLU 12.A OE1 no hydrogen 3.220 N/A CYS 13.A SG GLY 21.A O no hydrogen 3.489 N/A THR 24.A OG1 ASP 41.A O no hydrogen 2.857 N/A CYS 26.A SG CYS 13.A O no hydrogen 3.465 N/A LYS 33.A N LEU 29.A O no hydrogen 2.945 N/A LYS 35.A N ALA 31.A O no hydrogen 3.090 N/A CYS 37.A SG PRO 38.A O no hydrogen 3.998 N/A GLY 47.A N GLU 89.A OE2 no hydrogen 3.039 N/A SER 48.A N ARG 84.A O no hydrogen 3.003 N/A SER 48.A OG ASP 50.A OD1 no hydrogen 3.272 N/A LYS 49.A NZ THR 92.A O no hydrogen 3.311 N/A LYS 52.A N GLN 80.A O no hydrogen 3.063 N/A LYS 53.A N GLN 80.A O no hydrogen 2.834 N/A LYS 55.A NZ ASP 72.A O no hydrogen 2.809 N/A VAL 57.A N GLN 77.A OE1 no hydrogen 2.749 N/A THR 58.A N HIS 74.A O no hydrogen 3.183 N/A ARG 60.A NH1 GLU 101.A OE2 no hydrogen 3.410 N/A SER 61.A N ASN 59.A OD1 no hydrogen 3.178 N/A GLY 63.A N ARG 60.A O no hydrogen 3.084 N/A GLU 66.A N GLY 63.A O no hydrogen 3.337 N/A LYS 67.A NZ THR 64.A O no hydrogen 2.558 N/A ASP 72.A N LYS 69.A O no hydrogen 2.687 N/A ILE 73.A N LYS 69.A O no hydrogen 3.357 N/A HIS 74.A N THR 58.A OG1 no hydrogen 3.225 N/A GLN 75.A N GLU 414.A OE1 no hydrogen 3.275 N/A GLN 75.A N GLU 414.A OE2 no hydrogen 2.941 N/A ILE 76.A N GLU 414.A OE1 no hydrogen 3.327 N/A GLN 77.A N LYS 96.A O no hydrogen 3.114 N/A GLN 79.A N LYS 53.A O no hydrogen 2.916 N/A GLN 80.A N LYS 53.A O no hydrogen 2.976 N/A GLN 80.A NE2 GLU 417.A OE1 no hydrogen 3.354 N/A LEU 81.A N GLU 417.A O no hydrogen 2.891 N/A VAL 82.A N ASP 50.A O no hydrogen 3.103 N/A LEU 83.A N ILE 419.A O no hydrogen 2.640 N/A ARG 84.A N SER 48.A O no hydrogen 2.908 N/A LEU 85.A N GLN 421.A O no hydrogen 2.988 N/A ARG 86.A NH1 ASN 44.A OD1 no hydrogen 2.979 N/A ARG 86.A NH2 GLY 17.A O no hydrogen 3.078 N/A SER 87.A OG SER 394.A OG no hydrogen 3.318 N/A SER 87.A OG ASN 395.A O no hydrogen 2.998 N/A GLY 88.A N SER 394.A O no hydrogen 3.030 N/A GLN 91.A N ILE 392.A O no hydrogen 3.014 N/A GLN 91.A NE2 PRO 90.A O no hydrogen 3.374 N/A PHE 93.A N ILE 390.A O no hydrogen 2.956 N/A LEU 95.A N PHE 388.A O no hydrogen 2.695 N/A LYS 96.A N GLN 77.A O no hydrogen 2.785 N/A PHE 97.A N VAL 386.A O no hydrogen 2.826 N/A LYS 98.A N GLN 75.A O no hydrogen 2.808 N/A ARG 99.A N ASP 384.A O no hydrogen 3.173 N/A ARG 99.A NH1 ILE 380.A O no hydrogen 2.749 N/A ALA 100.A N GLN 75.A OE1 no hydrogen 3.076 N/A ILE 105.A N ASP 141.A O no hydrogen 3.074 N/A ASP 106.A N THR 233.A O no hydrogen 3.005 N/A LEU 107.A N ARG 143.A O no hydrogen 3.001 N/A TYR 108.A N LEU 235.A O no hydrogen 2.599 N/A TYR 108.A OH ASN 183.A OD1 no hydrogen 2.713 N/A TYR 109.A N GLY 145.A O no hydrogen 3.024 N/A LEU 110.A N VAL 237.A O no hydrogen 2.722 N/A MET 111.A N GLY 147.A O no hydrogen 2.886 N/A ASP 112.A N SER 239.A O no hydrogen 2.950 N/A LEU 113.A N PHE 149.A O no hydrogen 2.900 N/A SER 114.A N ASP 112.A OD2 no hydrogen 2.877 N/A SER 114.A OG ASP 112.A OD2 no hydrogen 2.736 N/A SER 114.A OG GLU 211.A OE1 no hydrogen 2.942 N/A SER 116.A OG ASP 241.A OD1 no hydrogen 3.048 N/A SER 116.A OG ASP 241.A OD2 no hydrogen 2.868 N/A MET 117.A N SER 114.A O no hydrogen 2.981 N/A LYS 118.A N TYR 115.A O no hydrogen 3.334 N/A LYS 118.A NZ GLU 122.A OE1 no hydrogen 3.063 N/A ASP 120.A N ASP 119.A OD2 no hydrogen 2.790 N/A LEU 121.A N MET 117.A O no hydrogen 2.572 N/A GLU 122.A N LYS 118.A O no hydrogen 3.235 N/A ASN 123.A N ASP 120.A O no hydrogen 3.023 N/A ASN 123.A ND2 ASN 325.A O no hydrogen 2.599 N/A VAL 124.A N ASP 120.A O no hydrogen 3.128 N/A LEU 127.A N VAL 124.A O no hydrogen 2.983 N/A GLY 128.A N ASN 195.A OD1 no hydrogen 2.882 N/A THR 129.A OG1 SER 126.A O no hydrogen 3.455 N/A THR 129.A OG1 ASP 130.A OD1 no hydrogen 3.397 N/A LEU 131.A N LEU 127.A O no hydrogen 2.821 N/A MET 132.A N GLY 128.A O no hydrogen 3.063 N/A ASN 133.A N THR 129.A O no hydrogen 2.809 N/A GLU 134.A N ASP 130.A O no hydrogen 3.276 N/A MET 135.A N LEU 131.A O no hydrogen 2.838 N/A ARG 136.A N MET 132.A O no hydrogen 3.113 N/A ARG 137.A N GLU 134.A O no hydrogen 3.039 N/A ILE 138.A N MET 135.A O no hydrogen 2.788 N/A THR 139.A N MET 135.A O no hydrogen 2.944 N/A THR 139.A OG1 TYR 103.A O no hydrogen 2.392 N/A SER 140.A N ASP 102.A OD1 no hydrogen 3.256 N/A SER 140.A OG ASP 102.A OD1 no hydrogen 3.343 N/A SER 140.A OG ASP 102.A OD2 no hydrogen 2.656 N/A ARG 143.A N ILE 105.A O no hydrogen 3.075 N/A ARG 143.A NH1 ASP 106.A OD2 no hydrogen 2.964 N/A ARG 143.A NH1 GLY 228.A O no hydrogen 3.037 N/A ARG 143.A NH2 GLY 228.A O no hydrogen 3.111 N/A ILE 144.A N THR 188.A O no hydrogen 2.661 N/A GLY 145.A N LEU 107.A O no hydrogen 2.958 N/A PHE 146.A N LEU 185.A O no hydrogen 3.029 N/A GLY 147.A N TYR 109.A O no hydrogen 2.792 N/A SER 148.A N LYS 182.A O no hydrogen 2.888 N/A PHE 149.A N MET 111.A O no hydrogen 3.213 N/A VAL 150.A N PHE 179.A O no hydrogen 3.303 N/A GLU 151.A N PHE 179.A O no hydrogen 2.922 N/A LYS 152.A N GLU 151.A OE2 no hydrogen 2.917 N/A LYS 152.A NZ ASP 215.A OD1 no hydrogen 2.992 N/A LYS 152.A NZ ASP 215.A OD2 no hydrogen 3.481 N/A LYS 152.A NZ TYR 276.A O no hydrogen 3.016 N/A TYR 157.A N VAL 154.A O no hydrogen 2.961 N/A TYR 157.A OH ASP 249.A O no hydrogen 2.448 N/A ILE 158.A N VAL 154.A O no hydrogen 3.267 N/A LYS 164.A N THR 161.A OG1 no hydrogen 3.361 N/A LYS 164.A NZ CYS 169.A O no hydrogen 2.944 N/A LEU 165.A N THR 161.A O no hydrogen 2.788 N/A ARG 166.A N ALA 163.A O no hydrogen 2.930 N/A ASN 167.A N ALA 163.A O no hydrogen 2.768 N/A ASN 167.A ND2 THR 170.A O no hydrogen 2.821 N/A ASN 167.A ND2 GLN 173.A O no hydrogen 3.122 N/A CYS 169.A N ASN 167.A OD1 no hydrogen 3.165 N/A THR 170.A N GLN 173.A OE1 no hydrogen 3.221 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.754 N/A CYS 175.A SG SER 204.A O no hydrogen 3.304 N/A THR 176.A N ILE 203.A O no hydrogen 2.905 N/A TYR 181.A OH TYR 108.A OH no hydrogen 3.161 N/A LYS 182.A N SER 148.A O no hydrogen 2.878 N/A ASN 183.A N ASN 268.A O no hydrogen 2.889 N/A ASN 183.A ND2 LEU 226.A O no hydrogen 3.251 N/A ASN 183.A ND2 ASN 268.A OD1 no hydrogen 3.487 N/A LEU 185.A N PHE 146.A O no hydrogen 2.888 N/A LEU 187.A N ILE 227.A O no hydrogen 2.763 N/A THR 188.A N ILE 144.A O no hydrogen 2.883 N/A LYS 190.A N THR 188.A OG1 no hydrogen 3.095 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.797 N/A VAL 193.A N LYS 190.A O no hydrogen 2.831 N/A PHE 194.A N LYS 190.A O no hydrogen 3.368 N/A ASN 195.A N GLY 191.A O no hydrogen 3.145 N/A ASN 195.A ND2 THR 129.A OG1 no hydrogen 3.172 N/A GLU 196.A N GLU 192.A O no hydrogen 3.084 N/A LEU 197.A N VAL 193.A O no hydrogen 3.077 N/A VAL 198.A N PHE 194.A O no hydrogen 2.867 N/A LYS 200.A N LEU 197.A O no hydrogen 3.329 N/A GLN 201.A N VAL 198.A O no hydrogen 3.367 N/A SER 204.A N LEU 113.A O no hydrogen 2.830 N/A SER 204.A OG THR 176.A O no hydrogen 2.943 N/A SER 204.A OG GLY 205.A O no hydrogen 3.485 N/A ASN 206.A ND2 GLU 211.A OE1 no hydrogen 3.408 N/A ASN 206.A ND2 GLU 211.A OE2 no hydrogen 2.662 N/A LEU 207.A N TYR 157.A O no hydrogen 3.256 N/A ASP 208.A N TYR 157.A O no hydrogen 3.374 N/A GLU 211.A N GLY 243.A O no hydrogen 3.140 N/A GLY 212.A N VAL 150.A O no hydrogen 3.190 N/A ASP 215.A N GLY 212.A O no hydrogen 3.100 N/A ILE 217.A N GLY 213.A O no hydrogen 2.665 N/A MET 218.A N PHE 214.A O no hydrogen 3.383 N/A GLN 219.A N ASP 215.A O no hydrogen 3.480 N/A GLN 219.A NE2 GLN 262.A O no hydrogen 3.014 N/A VAL 220.A N ALA 216.A O no hydrogen 2.963 N/A ALA 221.A N ILE 217.A O no hydrogen 2.849 N/A VAL 222.A N MET 218.A O no hydrogen 3.023 N/A VAL 222.A N GLN 219.A O no hydrogen 3.092 N/A CYS 223.A N GLN 219.A O no hydrogen 2.897 N/A CYS 223.A SG GLN 219.A O no hydrogen 3.285 N/A CYS 223.A SG GLN 219.A OE1 no hydrogen 3.374 N/A ILE 227.A N CYS 223.A O no hydrogen 3.023 N/A ILE 227.A N GLY 224.A O no hydrogen 2.992 N/A GLY 228.A N GLY 224.A O no hydrogen 2.848 N/A TRP 229.A NE1 VAL 220.A O no hydrogen 2.892 N/A ARG 230.A N ASP 106.A OD1 no hydrogen 2.904 N/A ARG 230.A NE ASP 106.A OD2 no hydrogen 3.290 N/A ARG 230.A NH1 ASP 141.A OD2 no hydrogen 2.678 N/A ARG 230.A NH2 ASP 106.A OD2 no hydrogen 3.018 N/A VAL 232.A N ARG 230.A O no hydrogen 2.726 N/A THR 233.A OG1 PRO 104.A O no hydrogen 3.379 N/A ARG 234.A NE ARG 230.A O no hydrogen 3.071 N/A ARG 234.A NH1 ASN 291.A O no hydrogen 2.723 N/A ARG 234.A NH2 ARG 230.A O no hydrogen 3.233 N/A LEU 235.A N ASP 106.A O no hydrogen 2.676 N/A LEU 236.A N GLN 294.A O no hydrogen 2.944 N/A VAL 237.A N TYR 108.A O no hydrogen 2.747 N/A PHE 238.A N ILE 296.A O no hydrogen 2.922 N/A SER 239.A N LEU 110.A O no hydrogen 2.981 N/A THR 240.A N ALA 298.A O no hydrogen 3.352 N/A THR 240.A OG1 ASP 112.A OD1 no hydrogen 2.695 N/A ALA 242.A N THR 240.A OG1 no hydrogen 3.174 N/A HIS 245.A N GLU 211.A O no hydrogen 3.011 N/A ALA 247.A N PRO 279.A O no hydrogen 3.196 N/A GLY 248.A N ASP 277.A OD2 no hydrogen 3.026 N/A ASP 249.A N PHE 246.A O no hydrogen 3.183 N/A LYS 251.A N GLY 248.A O no hydrogen 3.298 N/A GLY 253.A N GLY 250.A O no hydrogen 2.977 N/A GLY 254.A N LYS 251.A O no hydrogen 2.614 N/A GLN 262.A N ASP 260.A OD1 no hydrogen 3.062 N/A GLN 262.A NE2 ASP 260.A O no hydrogen 3.582 N/A CYS 263.A SG GLN 219.A OE1 no hydrogen 3.996 N/A HIS 264.A N GLN 219.A OE1 no hydrogen 2.883 N/A HIS 264.A NE2 ASP 260.A OD2 no hydrogen 2.770 N/A GLU 266.A N MET 269.A O no hydrogen 2.908 N/A MET 269.A N GLU 266.A O no hydrogen 2.952 N/A TYR 270.A N TYR 181.A O no hydrogen 3.070 N/A THR 271.A N HIS 264.A O no hydrogen 3.116 N/A THR 271.A OG1 HIS 264.A O no hydrogen 3.152 N/A TYR 275.A N MET 272.A O no hydrogen 3.024 N/A TYR 276.A N MET 272.A O no hydrogen 2.980 N/A ASP 277.A N LEU 257.A O no hydrogen 2.833 N/A TYR 278.A OH GLU 151.A OE2 no hydrogen 2.805 N/A HIS 283.A N SER 280.A OG no hydrogen 3.075 N/A LEU 284.A N SER 280.A O no hydrogen 3.231 N/A VAL 285.A N ILE 281.A O no hydrogen 2.924 N/A GLN 286.A N ALA 282.A O no hydrogen 2.951 N/A LYS 287.A N HIS 283.A O no hydrogen 2.978 N/A LYS 287.A NZ GLU 290.A OE1 no hydrogen 3.190 N/A LEU 288.A N LEU 284.A O no hydrogen 2.701 N/A SER 289.A N VAL 285.A O no hydrogen 3.036 N/A GLU 290.A N GLN 286.A O no hydrogen 2.875 N/A ASN 291.A N LYS 287.A O no hydrogen 3.113 N/A ASN 291.A N LEU 288.A O no hydrogen 3.145 N/A ASN 292.A N SER 289.A O no hydrogen 3.265 N/A ILE 293.A N LEU 288.A O no hydrogen 3.032 N/A GLN 294.A N ARG 234.A O no hydrogen 2.934 N/A THR 295.A N LYS 316.A O no hydrogen 3.307 N/A ILE 296.A N LEU 236.A O no hydrogen 2.771 N/A PHE 297.A N ALA 318.A O no hydrogen 2.745 N/A ALA 298.A N PHE 238.A O no hydrogen 2.953 N/A VAL 299.A N GLY 320.A O no hydrogen 3.177 N/A PHE 303.A N THR 300.A O no hydrogen 3.167 N/A GLN 304.A N GLU 301.A O no hydrogen 3.262 N/A GLN 304.A NE2 VAL 299.A O no hydrogen 2.898 N/A TYR 307.A N PHE 303.A O no hydrogen 3.118 N/A TYR 307.A OH ALA 242.A O no hydrogen 2.970 N/A LYS 308.A N GLN 304.A O no hydrogen 2.795 N/A LEU 310.A N VAL 306.A O no hydrogen 2.969 N/A LYS 311.A N TYR 307.A O no hydrogen 2.933 N/A ASN 312.A N LYS 308.A O no hydrogen 3.200 N/A ASN 312.A N GLU 309.A O no hydrogen 3.177 N/A LEU 313.A N LEU 310.A O no hydrogen 2.864 N/A ILE 314.A N LEU 310.A O no hydrogen 3.013 N/A LYS 316.A NZ LEU 340.A O no hydrogen 2.816 N/A LYS 316.A NZ GLU 343.A O no hydrogen 2.432 N/A SER 317.A OG ILE 314.A O no hydrogen 2.728 N/A ALA 318.A N THR 295.A O no hydrogen 2.855 N/A GLY 320.A N PHE 297.A O no hydrogen 2.925 N/A LEU 322.A N VAL 299.A O no hydrogen 2.929 N/A SER 323.A N ASN 328.A OD1 no hydrogen 2.860 N/A SER 323.A OG ASN 325.A OD1 no hydrogen 3.143 N/A SER 323.A OG SER 327.A OG no hydrogen 2.914 N/A SER 323.A OG ASN 328.A OD1 no hydrogen 3.275 N/A SER 326.A N SER 323.A O no hydrogen 2.794 N/A SER 327.A N ASN 325.A OD1 no hydrogen 3.444 N/A SER 327.A OG SER 323.A OG no hydrogen 2.914 N/A SER 327.A OG ASN 325.A OD1 no hydrogen 3.019 N/A ASN 328.A ND2 THR 321.A O no hydrogen 2.820 N/A LEU 332.A N ASN 328.A O no hydrogen 3.134 N/A ILE 333.A N VAL 329.A O no hydrogen 2.749 N/A ILE 334.A N ILE 330.A O no hydrogen 2.866 N/A ASP 335.A N GLN 331.A O no hydrogen 2.837 N/A ALA 336.A N LEU 332.A O no hydrogen 2.809 N/A TYR 337.A N ILE 333.A O no hydrogen 2.686 N/A ASN 338.A N ILE 334.A O no hydrogen 2.797 N/A SER 339.A N ASP 335.A O no hydrogen 3.177 N/A SER 339.A OG ASP 335.A O no hydrogen 3.498 N/A SER 339.A OG ALA 336.A O no hydrogen 3.031 N/A LEU 340.A N ALA 336.A O no hydrogen 2.952 N/A SER 341.A N TYR 337.A O no hydrogen 2.727 N/A SER 341.A OG TYR 337.A O no hydrogen 3.084 N/A SER 341.A OG ASN 338.A O no hydrogen 3.395 N/A SER 342.A N SER 339.A O no hydrogen 3.207 N/A SER 342.A OG ASN 338.A O no hydrogen 2.704 N/A SER 342.A OG SER 339.A O no hydrogen 3.085 N/A GLU 343.A N LEU 340.A O no hydrogen 3.501 N/A VAL 344.A N CYS 377.A O no hydrogen 2.813 N/A LEU 346.A N ARG 375.A O no hydrogen 2.824 N/A GLU 347.A N ARG 408.A O no hydrogen 2.670 N/A ASN 348.A ND2 GLY 349.A O no hydrogen 2.764 N/A SER 352.A OG TYR 422.A OH no hydrogen 3.206 N/A THR 356.A N THR 393.A O no hydrogen 3.456 N/A THR 356.A OG1 THR 393.A OG1 no hydrogen 2.685 N/A SER 358.A N SER 391.A O no hydrogen 2.672 N/A LYS 360.A N GLU 389.A O no hydrogen 2.985 N/A SER 361.A N GLY 369.A O no hydrogen 3.239 N/A SER 361.A OG ASN 373.A O no hydrogen 3.349 N/A SER 361.A OG LYS 376.A O no hydrogen 3.093 N/A TYR 362.A N GLN 387.A O no hydrogen 3.151 N/A TYR 362.A OH GLU 389.A OE2 no hydrogen 2.789 N/A CYS 363.A N VAL 367.A O no hydrogen 2.883 N/A CYS 363.A SG LYS 376.A O no hydrogen 3.769 N/A LYS 364.A NZ ASP 384.A OD1 no hydrogen 2.852 N/A LYS 364.A NZ ASP 384.A OD2 no hydrogen 2.945 N/A VAL 367.A N LYS 364.A O no hydrogen 3.261 N/A GLY 369.A N SER 361.A O no hydrogen 2.931 N/A GLY 374.A N GLY 371.A O no hydrogen 3.286 N/A ARG 375.A N GLU 372.A O no hydrogen 3.521 N/A ARG 375.A NH1 LEU 346.A O no hydrogen 3.122 N/A ARG 375.A NH1 ASN 348.A OD1 no hydrogen 3.391 N/A ARG 375.A NH2 ASN 348.A OD1 no hydrogen 3.014 N/A LYS 376.A N ASN 373.A O no hydrogen 3.267 N/A LYS 376.A NZ ASN 373.A OD1 no hydrogen 3.383 N/A CYS 377.A N VAL 344.A O no hydrogen 3.071 N/A CYS 377.A SG LYS 376.A O no hydrogen 3.796 N/A ILE 380.A N SER 342.A O no hydrogen 2.800 N/A SER 381.A N ASP 384.A OD2 no hydrogen 2.616 N/A SER 381.A OG ASP 384.A OD2 no hydrogen 3.152 N/A GLY 383.A N ARG 99.A O no hydrogen 2.805 N/A ASP 384.A N SER 381.A O no hydrogen 2.878 N/A VAL 386.A N PHE 97.A O no hydrogen 2.772 N/A PHE 388.A N LEU 95.A O no hydrogen 2.730 N/A GLU 389.A N LYS 360.A O no hydrogen 2.748 N/A ILE 390.A N PHE 93.A O no hydrogen 2.854 N/A SER 391.A N SER 358.A O no hydrogen 2.913 N/A THR 393.A N THR 356.A O no hydrogen 3.048 N/A SER 394.A OG SER 87.A OG no hydrogen 3.318 N/A ASN 395.A N GLY 354.A O no hydrogen 3.275 N/A CYS 397.A SG ILE 423.A O no hydrogen 3.693 N/A ILE 407.A N VAL 416.A O no hydrogen 3.018 N/A ARG 408.A N GLU 347.A O no hydrogen 2.749 N/A ARG 408.A NH1 PHE 412.A O no hydrogen 3.499 N/A ARG 408.A NH2 SER 289.A O no hydrogen 3.487 N/A ARG 408.A NH2 GLU 347.A OE1 no hydrogen 2.944 N/A ARG 408.A NH2 GLU 347.A OE2 no hydrogen 3.536 N/A LEU 410.A N ILE 345.A O no hydrogen 2.914 N/A PHE 412.A N PRO 409.A O no hydrogen 3.202 N/A VAL 416.A N ILE 407.A O no hydrogen 2.809 N/A GLU 417.A N GLN 79.A O no hydrogen 2.661 N/A VAL 418.A N PHE 405.A O no hydrogen 3.312 N/A ILE 419.A N LEU 81.A O no hydrogen 2.817 N/A LEU 420.A N ASP 403.A O no hydrogen 3.393 N/A GLN 421.A N LEU 83.A O no hydrogen 2.996 N/A TYR 422.A OH ASP 403.A OD2 no hydrogen 2.574 N/A ILE 423.A N LEU 85.A O no hydrogen 3.220 N/A