Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASP 463.A O no hydrogen 2.667 N/A GLU 5.A N GLN 542.A OE1 no hydrogen 2.664 N/A ASP 8.A N ASP 8.A OD1 no hydrogen 2.383 N/A ALA 9.A N THR 7.A O no hydrogen 2.572 N/A PHE 11.A N VAL 460.A O no hydrogen 2.982 N/A TYR 12.A N ASN 505.A O no hydrogen 3.046 N/A VAL 13.A N VAL 458.A O no hydrogen 2.895 N/A VAL 23.A N MET 452.A O no hydrogen 2.942 N/A GLN 27.A NE2 PHE 25.A O no hydrogen 3.649 N/A ARG 29.A N ASN 417.A OD1 no hydrogen 2.830 N/A ARG 29.A NE GLU 26.A OE1 no hydrogen 2.905 N/A ARG 29.A NH2 GLU 26.A OE2 no hydrogen 3.481 N/A CYS 31.A SG ARG 29.A O no hydrogen 3.873 N/A GLN 38.A NE2 GLU 277.A O no hydrogen 3.074 N/A THR 41.A N ARG 275.A O no hydrogen 2.744 N/A THR 41.A OG1 ARG 275.A O no hydrogen 3.218 N/A ILE 44.A N GLN 351.A O no hydrogen 3.023 N/A ALA 45.A N VAL 270.A O no hydrogen 2.944 N/A VAL 46.A N ALA 349.A O no hydrogen 2.906 N/A VAL 47.A N GLN 268.A O no hydrogen 2.827 N/A PHE 48.A N LEU 347.A O no hydrogen 2.775 N/A LYS 49.A N THR 265.A O no hydrogen 3.001 N/A GLU 50.A N THR 381.A OG1 no hydrogen 2.778 N/A ASN 51.A N THR 263.A O no hydrogen 2.888 N/A ASN 51.A ND2 ALA 53.A O no hydrogen 2.878 N/A TYR 55.A N SER 178.A O no hydrogen 2.807 N/A PHE 57.A N ALA 176.A O no hydrogen 2.900 N/A ALA 59.A N VAL 174.A O no hydrogen 3.037 N/A THR 60.A N ALA 251.A O no hydrogen 2.955 N/A MET 61.A N GLU 172.A O no hydrogen 2.697 N/A TYR 62.A N THR 249.A O no hydrogen 2.619 N/A TYR 63.A N ILE 170.A O no hydrogen 3.116 N/A TYR 63.A OH GLU 172.A OE1 no hydrogen 2.710 N/A LYS 64.A N ALA 88.A O no hydrogen 2.912 N/A LYS 64.A NZ GLU 94.A OE2 no hydrogen 3.241 N/A LYS 64.A NZ ARG 106.A O no hydrogen 2.615 N/A LYS 64.A NZ THR 108.A O no hydrogen 2.777 N/A ASP 65.A N ASN 168.A O no hydrogen 3.051 N/A VAL 66.A N ASP 86.A O no hydrogen 2.625 N/A THR 67.A N THR 166.A O no hydrogen 2.993 N/A VAL 68.A N PHE 84.A O no hydrogen 3.086 N/A SER 69.A N GLY 164.A O no hydrogen 2.949 N/A SER 69.A OG ASN 153.A OD1 no hydrogen 2.826 N/A GLN 70.A N GLY 82.A O no hydrogen 3.019 N/A VAL 71.A N ARG 162.A O no hydrogen 3.467 N/A ARG 72.A N GLN 79.A O no hydrogen 2.635 N/A GLY 74.A N TYR 77.A O no hydrogen 3.273 N/A TYR 77.A N GLY 74.A O no hydrogen 2.992 N/A GLN 79.A N ARG 72.A O no hydrogen 2.817 N/A MET 81.A N GLN 70.A O no hydrogen 2.563 N/A PHE 84.A N VAL 68.A O no hydrogen 3.086 N/A ARG 87.A NH1 ASP 191.A OD1 no hydrogen 3.109 N/A ARG 87.A NH2 ASP 191.A OD2 no hydrogen 3.262 N/A ALA 88.A N LYS 64.A O no hydrogen 2.855 N/A VAL 90.A N TYR 62.A O no hydrogen 3.340 N/A GLU 94.A N PRO 91.A O no hydrogen 2.906 N/A VAL 95.A N PRO 91.A O no hydrogen 3.247 N/A ILE 96.A N PHE 92.A O no hydrogen 3.014 N/A ASP 97.A N GLU 93.A O no hydrogen 2.851 N/A LYS 98.A N GLU 94.A O no hydrogen 2.876 N/A LYS 98.A NZ ASP 129.A OD1 no hydrogen 2.442 N/A LYS 98.A NZ ASP 129.A OD2 no hydrogen 3.304 N/A ILE 99.A N GLU 94.A O no hydrogen 2.828 N/A ASN 100.A N VAL 95.A O no hydrogen 2.782 N/A ASN 100.A ND2 TYR 224.A O no hydrogen 3.086 N/A LYS 102.A N LYS 98.A O no hydrogen 2.750 N/A GLY 103.A N ILE 99.A O no hydrogen 2.749 N/A VAL 104.A N LYS 98.A O no hydrogen 3.226 N/A CYS 105.A N MET 130.A O no hydrogen 2.855 N/A CYS 105.A SG GLU 94.A OE2 no hydrogen 3.052 N/A ARG 106.A N GLU 94.A OE2 no hydrogen 3.138 N/A SER 107.A OG THR 128.A O no hydrogen 3.317 N/A ALA 109.A N ALA 120.A O no hydrogen 2.727 N/A TYR 111.A N THR 118.A O no hydrogen 2.937 N/A TYR 111.A OH ASP 86.A OD2 no hydrogen 2.996 N/A ARG 113.A N LEU 116.A O no hydrogen 2.945 N/A ARG 113.A NE ASP 86.A OD2 no hydrogen 2.799 N/A ARG 113.A NH1 PRO 246.A O no hydrogen 3.370 N/A ARG 113.A NH2 ASP 86.A OD1 no hydrogen 2.994 N/A ARG 113.A NH2 ASP 86.A OD2 no hydrogen 3.062 N/A ARG 113.A NH2 PRO 246.A O no hydrogen 3.413 N/A LEU 116.A N ARG 113.A O no hydrogen 2.886 N/A THR 118.A N TYR 111.A O no hydrogen 2.795 N/A ALA 120.A N ALA 109.A O no hydrogen 2.654 N/A HIS 122.A N SER 107.A O no hydrogen 2.843 N/A ARG 123.A N THR 165.A O no hydrogen 3.003 N/A ASP 124.A N PHE 121.A O no hydrogen 2.947 N/A ASP 125.A N HIS 122.A O no hydrogen 3.029 N/A THR 128.A OG1 HIS 126.A O no hydrogen 3.278 N/A MET 130.A N CYS 105.A O no hydrogen 2.467 N/A LEU 132.A N GLY 103.A O no hydrogen 3.276 N/A LYS 133.A N HIS 146.A O no hydrogen 2.894 N/A ALA 135.A N GLY 144.A O no hydrogen 2.636 N/A THR 141.A OG1 ALA 138.A O no hydrogen 2.755 N/A SER 142.A OG GLU 173.A O no hydrogen 2.492 N/A ARG 143.A NE GLU 173.A OE1 no hydrogen 3.436 N/A ARG 143.A NE GLU 173.A OE2 no hydrogen 2.980 N/A ARG 143.A NH1 ASP 227.A OD1 no hydrogen 3.298 N/A ARG 143.A NH1 ASP 227.A OD2 no hydrogen 3.008 N/A ARG 143.A NH2 GLU 173.A OE1 no hydrogen 2.854 N/A ARG 143.A NH2 ASP 227.A OD2 no hydrogen 2.920 N/A TRP 145.A N VAL 171.A O no hydrogen 2.796 N/A TRP 145.A NE1 THR 229.A OG1 no hydrogen 2.777 N/A HIS 146.A N LYS 133.A O no hydrogen 2.915 N/A THR 147.A N CYS 169.A O no hydrogen 3.001 N/A THR 148.A N ASN 168.A OD1 no hydrogen 3.228 N/A THR 148.A OG1 VAL 167.A O no hydrogen 3.481 N/A TYR 152.A N THR 166.A OG1 no hydrogen 3.058 N/A SER 155.A N GLU 158.A OE1 no hydrogen 3.441 N/A SER 155.A OG GLU 158.A OE1 no hydrogen 2.657 N/A ARG 156.A NH1 TYR 77.A O no hydrogen 2.847 N/A ARG 156.A NH2 GLY 74.A O no hydrogen 2.243 N/A HIS 161.A ND1 GLU 158.A OE2 no hydrogen 2.955 N/A HIS 161.A NE2 ASP 124.A OD1 no hydrogen 2.891 N/A ARG 162.A NH1 ARG 156.A O no hydrogen 2.800 N/A ARG 162.A NH1 VAL 157.A O no hydrogen 3.550 N/A GLY 164.A N SER 69.A O no hydrogen 2.964 N/A THR 165.A N ASP 124.A OD1 no hydrogen 3.094 N/A THR 165.A OG1 ASP 124.A OD2 no hydrogen 2.989 N/A THR 166.A N THR 67.A O no hydrogen 2.749 N/A VAL 167.A N HIS 122.A ND1 no hydrogen 2.930 N/A ASN 168.A N ASP 65.A O no hydrogen 3.013 N/A ASN 168.A ND2 HIS 146.A ND1 no hydrogen 3.608 N/A CYS 169.A N THR 147.A OG1 no hydrogen 3.028 N/A ILE 170.A N TYR 63.A O no hydrogen 2.875 N/A VAL 171.A N TRP 145.A O no hydrogen 2.782 N/A GLU 172.A N MET 61.A O no hydrogen 3.024 N/A GLU 173.A N ARG 143.A O no hydrogen 2.928 N/A VAL 174.A N ALA 59.A O no hydrogen 2.952 N/A ALA 176.A N PHE 57.A O no hydrogen 2.681 N/A ARG 177.A N VAL 186.A O no hydrogen 3.072 N/A SER 178.A N TYR 55.A O no hydrogen 3.003 N/A SER 178.A OG GLU 184.A O no hydrogen 2.468 N/A TYR 180.A OH ASP 306.A OD2 no hydrogen 2.911 N/A TYR 182.A N VAL 179.A O no hydrogen 2.807 N/A PHE 185.A N VAL 193.A O no hydrogen 3.015 N/A VAL 186.A N ARG 177.A O no hydrogen 2.933 N/A LEU 187.A N ASP 191.A O no hydrogen 3.003 N/A ALA 188.A N ASP 175.A O no hydrogen 3.143 N/A THR 189.A OG1 ASP 191.A OD1 no hydrogen 2.715 N/A GLY 190.A N LEU 187.A O no hydrogen 2.876 N/A VAL 193.A N PHE 185.A O no hydrogen 2.724 N/A TYR 194.A N TYR 212.A OH no hydrogen 2.624 N/A MET 195.A N VAL 193.A O no hydrogen 2.786 N/A SER 196.A N HIS 209.A O no hydrogen 3.115 N/A SER 196.A OG TYR 182.A O no hydrogen 2.704 N/A SER 196.A OG GLU 208.A OE1 no hydrogen 3.345 N/A PHE 198.A N SER 196.A OG no hydrogen 3.237 N/A TYR 199.A N SER 196.A O no hydrogen 3.085 N/A TYR 201.A N GLN 219.A OE1 no hydrogen 3.255 N/A ARG 202.A NH1 THR 239.A OG1 no hydrogen 2.672 N/A SER 205.A N ARG 202.A O no hydrogen 3.076 N/A SER 205.A OG ARG 202.A O no hydrogen 2.632 N/A THR 207.A N GLY 204.A O no hydrogen 3.318 N/A THR 207.A OG1 GLY 204.A O no hydrogen 2.740 N/A GLU 208.A N SER 205.A O no hydrogen 2.811 N/A HIS 209.A NE2 SER 211.A OG no hydrogen 2.673 N/A THR 210.A OG1 TYR 212.A O no hydrogen 3.415 N/A SER 211.A N TYR 194.A O no hydrogen 2.909 N/A SER 211.A OG TYR 194.A O no hydrogen 2.979 N/A SER 211.A OG HIS 209.A NE2 no hydrogen 2.673 N/A TYR 212.A N THR 210.A OG1 no hydrogen 3.221 N/A ARG 216.A N ALA 213.A O no hydrogen 2.942 N/A ARG 216.A NH1 THR 244.A O no hydrogen 2.760 N/A LYS 218.A N LEU 242.A O no hydrogen 2.831 N/A LYS 218.A NZ ASP 215.A O no hydrogen 2.849 N/A GLN 219.A NE2 ASN 241.A OD1 no hydrogen 2.755 N/A VAL 220.A N ARG 240.A O no hydrogen 2.891 N/A PHE 223.A N THR 238.A O no hydrogen 2.914 N/A ARG 226.A N ASN 100.A OD1 no hydrogen 2.956 N/A ARG 226.A NH1 LYS 231.A O no hydrogen 3.259 N/A ASP 227.A N ALA 232.A O no hydrogen 2.981 N/A THR 229.A N ASP 227.A OD1 no hydrogen 2.694 N/A THR 230.A N ASP 227.A OD1 no hydrogen 2.798 N/A LYS 231.A N ASP 227.A O no hydrogen 2.842 N/A LYS 231.A NZ THR 229.A O no hydrogen 3.384 N/A ALA 232.A N THR 230.A OG1 no hydrogen 3.207 N/A ARG 233.A NE.A ALA 234.A O no hydrogen 2.800 N/A ALA 234.A N ALA 225.A O no hydrogen 2.686 N/A THR 238.A N PHE 223.A O no hydrogen 2.980 N/A THR 238.A OG1 ASP 253.A OD1 no hydrogen 3.297 N/A THR 239.A OG1 ASP 221.A OD2 no hydrogen 3.135 N/A ARG 240.A N VAL 220.A O no hydrogen 2.913 N/A ARG 240.A NH1 ASP 253.A OD1 no hydrogen 2.808 N/A ASN 241.A N TRP 252.A O no hydrogen 2.694 N/A ASN 241.A ND2 TYR 199.A O no hydrogen 2.753 N/A LEU 242.A N LYS 218.A O no hydrogen 2.968 N/A LEU 243.A N VAL 250.A O no hydrogen 2.926 N/A THR 244.A N ARG 216.A O no hydrogen 2.964 N/A THR 244.A OG1 THR 249.A OG1 no hydrogen 2.834 N/A THR 245.A N PHE 248.A O no hydrogen 2.752 N/A THR 245.A OG1 PHE 248.A O no hydrogen 3.285 N/A LYS 247.A N THR 245.A OG1 no hydrogen 3.233 N/A LYS 247.A NZ ASP 86.A OD1 no hydrogen 2.928 N/A PHE 248.A N THR 245.A O no hydrogen 3.289 N/A PHE 248.A N THR 245.A OG1 no hydrogen 3.265 N/A THR 249.A N TYR 62.A O no hydrogen 2.966 N/A THR 249.A OG1 VAL 90.A O no hydrogen 2.594 N/A THR 249.A OG1 THR 244.A OG1 no hydrogen 2.834 N/A VAL 250.A N LEU 243.A O no hydrogen 2.917 N/A ALA 251.A N THR 60.A O no hydrogen 2.785 N/A TRP 252.A N ASN 241.A O no hydrogen 2.898 N/A TRP 252.A NE1 PRO 197.A O no hydrogen 2.898 N/A TRP 254.A N THR 239.A O no hydrogen 2.901 N/A TRP 254.A NE1 PHE 198.A O no hydrogen 3.087 N/A LYS 257.A NZ GLU 208.A OE2 no hydrogen 3.074 N/A ARG 258.A NE ASP 309.A OD1 no hydrogen 2.860 N/A ARG 258.A NE ASP 309.A OD2 no hydrogen 3.241 N/A ARG 258.A NH2 ASP 309.A OD1 no hydrogen 2.694 N/A SER 260.A N LYS 257.A O no hydrogen 2.638 N/A SER 260.A OG PRO 256.A O no hydrogen 2.535 N/A VAL 261.A N LYS 257.A O no hydrogen 3.045 N/A CYS 262.A SG MET 264.A O no hydrogen 3.812 N/A CYS 262.A SG LEU 307.A O no hydrogen 3.417 N/A THR 263.A N LEU 307.A O no hydrogen 3.008 N/A THR 263.A OG1 ASP 306.A O no hydrogen 2.691 N/A THR 263.A OG1 LEU 307.A O no hydrogen 3.389 N/A THR 265.A N LYS 49.A O no hydrogen 2.643 N/A THR 265.A OG1 ASN 51.A OD1 no hydrogen 2.999 N/A LYS 266.A NZ GLU 269.A OE2 no hydrogen 2.820 N/A TRP 267.A N VAL 47.A O no hydrogen 2.782 N/A GLN 268.A N VAL 47.A O no hydrogen 3.135 N/A VAL 270.A N ALA 45.A O no hydrogen 2.728 N/A MET 273.A N GLY 43.A O no hydrogen 2.754 N/A LEU 274.A N SER 285.A O no hydrogen 2.976 N/A ARG 275.A N THR 41.A O no hydrogen 2.992 N/A ARG 275.A NH2 GLU 369.A OE2 no hydrogen 3.009 N/A SER 276.A N ARG 283.A O no hydrogen 2.731 N/A TYR 278.A N SER 281.A O no hydrogen 2.884 N/A PHE 282.A N THR 295.A O no hydrogen 2.914 N/A ARG 283.A N SER 276.A O no hydrogen 2.633 N/A PHE 284.A N PHE 293.A O no hydrogen 2.950 N/A SER 285.A N LEU 274.A O no hydrogen 2.659 N/A SER 286.A N THR 291.A O no hydrogen 2.539 N/A ILE 289.A N SER 286.A OG no hydrogen 3.188 N/A THR 291.A N SER 286.A O no hydrogen 2.857 N/A THR 291.A OG1 ILE 289.A O no hydrogen 3.324 N/A THR 292.A N ALA 388.A O no hydrogen 3.068 N/A PHE 293.A N PHE 284.A O no hydrogen 2.768 N/A THR 295.A N PHE 282.A O no hydrogen 3.057 N/A THR 295.A OG1 ASN 296.A O no hydrogen 2.938 N/A GLU 299.A N ARG 372.A O no hydrogen 2.988 N/A TYR 300.A N TYR 339.A O no hydrogen 2.469 N/A TYR 300.A OH GLU 377.A OE2 no hydrogen 2.798 N/A ARG 304.A N PRO 301.A O no hydrogen 2.825 N/A VAL 305.A N LEU 302.A O no hydrogen 3.161 N/A ASP 306.A N GLU 377.A O no hydrogen 3.209 N/A CYS 310.A SG MET 264.A O no hydrogen 3.721 N/A ILE 311.A N GLY 308.A O no hydrogen 3.037 N/A ASP 314.A N CYS 310.A O no hydrogen 2.244 N/A ALA 315.A N ILE 311.A O no hydrogen 2.514 N/A ARG 316.A N GLY 312.A O no hydrogen 2.843 N/A ASP 317.A N LYS 313.A O no hydrogen 3.134 N/A ALA 318.A N ASP 314.A O no hydrogen 3.423 N/A MET 319.A N ALA 315.A O no hydrogen 2.900 N/A ARG 321.A N ASP 317.A O no hydrogen 3.383 N/A ARG 321.A NH2 GLU 269.A OE1 no hydrogen 2.900 N/A ILE 322.A N ALA 318.A O no hydrogen 2.997 N/A ALA 324.A N ASP 320.A O no hydrogen 3.341 N/A ARG 325.A N ARG 321.A O no hydrogen 3.150 N/A ARG 325.A NH2 ASP 271.A OD1 no hydrogen 3.294 N/A ARG 325.A NH2 ASP 271.A OD2 no hydrogen 2.601 N/A ARG 326.A N ILE 322.A O no hydrogen 2.916 N/A ARG 326.A N PHE 323.A O no hydrogen 3.079 N/A TYR 327.A N PHE 323.A O no hydrogen 2.508 N/A TYR 327.A OH ASP 271.A O no hydrogen 3.217 N/A THR 330.A N TYR 327.A O no hydrogen 2.864 N/A THR 330.A OG1 ARG 326.A O no hydrogen 3.006 N/A HIS 331.A NE2 GLU 42.A OE1 no hydrogen 2.779 N/A HIS 331.A NE2 GLU 42.A OE2 no hydrogen 2.727 N/A ILE 332.A N LEU 354.A O no hydrogen 2.512 N/A VAL 334.A N PRO 352.A O no hydrogen 2.994 N/A GLY 335.A N TYR 362.A OH no hydrogen 3.323 N/A GLN 338.A N TYR 350.A O no hydrogen 2.633 N/A GLN 338.A NE2 GLU 369.A OE1 no hydrogen 2.843 N/A TYR 339.A N GLU 299.A OE1 no hydrogen 2.890 N/A TYR 340.A N ILE 348.A O no hydrogen 2.579 N/A TYR 340.A OH GLN 338.A OE1 no hydrogen 2.297 N/A ALA 342.A N PHE 346.A O no hydrogen 2.788 N/A ASN 343.A N THR 294.A O no hydrogen 2.952 N/A GLY 345.A N ALA 342.A O no hydrogen 2.927 N/A PHE 346.A N ALA 342.A O no hydrogen 3.079 N/A LEU 347.A N PHE 48.A O no hydrogen 3.073 N/A ILE 348.A N TYR 340.A O no hydrogen 2.513 N/A ALA 349.A N VAL 46.A O no hydrogen 2.833 N/A TYR 350.A N GLN 338.A O no hydrogen 2.467 N/A GLN 351.A N ILE 44.A O no hydrogen 2.884 N/A GLN 351.A NE2 VAL 334.A O no hydrogen 3.393 N/A GLN 351.A NE2 GLY 335.A O no hydrogen 3.017 N/A GLN 351.A NE2 PRO 352.A O no hydrogen 3.047 N/A LEU 353.A N GLU 42.A O no hydrogen 2.607 N/A ASN 356.A N THR 330.A O no hydrogen 2.977 N/A THR 357.A N SER 355.A OG no hydrogen 3.201 N/A LEU 358.A N SER 355.A O no hydrogen 2.961 N/A ALA 359.A N ASN 356.A O no hydrogen 3.042 N/A GLU 360.A N GLU 360.A OE1 no hydrogen 2.640 N/A TYR 362.A OH LYS 333.A O no hydrogen 3.170 N/A ARG 364.A N LEU 361.A O no hydrogen 2.843 N/A HIS 366.A N TYR 362.A O no hydrogen 3.180 N/A GLU 369.A N GLU 365.A O no hydrogen 2.755 N/A GLN 370.A N HIS 366.A O no hydrogen 2.865 N/A SER 371.A OG ARG 368.A O no hydrogen 2.547 N/A ARG 372.A NH1 GLU 369.A OE1 no hydrogen 2.811 N/A LYS 373.A N GLN 370.A O no hydrogen 2.864 N/A GLU 377.A N ARG 304.A O no hydrogen 2.604 N/A LYS 380.A NZ ARG 378.A O no hydrogen 2.916 N/A THR 381.A N GLU 50.A OE1 no hydrogen 3.228 N/A THR 381.A OG1 GLY 345.A O no hydrogen 2.599 N/A THR 382.A N GLY 344.A O no hydrogen 2.824 N/A SER 384.A N THR 382.A OG1 no hydrogen 3.396 N/A ALA 388.A N ILE 385.A O no hydrogen 3.050 N/A ARG 389.A NE ILE 289.A O no hydrogen 3.052 N/A ARG 389.A NH2 ILE 289.A O no hydrogen 3.114 N/A LEU 390.A N GLU 386.A O no hydrogen 3.217 N/A GLN 391.A N PHE 387.A O no hydrogen 3.077 N/A GLN 391.A NE2 ASN 395.A OD1 no hydrogen 2.931 N/A PHE 392.A N ALA 388.A O no hydrogen 3.189 N/A THR 393.A N ARG 389.A O no hydrogen 3.045 N/A THR 393.A OG1 ARG 389.A O no hydrogen 2.646 N/A TYR 394.A N LEU 390.A O no hydrogen 2.726 N/A ASN 395.A N GLN 391.A O no hydrogen 2.853 N/A HIS 396.A N PHE 392.A O no hydrogen 2.935 N/A HIS 396.A ND1 PHE 392.A O no hydrogen 2.508 N/A ILE 397.A N THR 393.A O no hydrogen 3.121 N/A GLN 398.A N TYR 394.A O no hydrogen 2.706 N/A ARG 399.A N ASN 395.A O no hydrogen 2.615 N/A HIS 400.A N HIS 396.A O no hydrogen 3.174 N/A VAL 401.A N ILE 397.A O no hydrogen 2.845 N/A ASN 402.A N GLN 398.A O no hydrogen 2.811 N/A ASP 403.A N ARG 399.A O no hydrogen 3.213 N/A MET 404.A N HIS 400.A O no hydrogen 2.958 N/A LEU 405.A N VAL 401.A O no hydrogen 2.988 N/A GLY 406.A N ASN 402.A O no hydrogen 2.645 N/A ARG 407.A N ASP 403.A O no hydrogen 2.755 N/A ARG 407.A NE ASP 403.A OD1 no hydrogen 2.882 N/A ARG 407.A NE ASP 403.A OD2 no hydrogen 2.996 N/A ARG 407.A NH2 ASP 403.A OD2 no hydrogen 2.550 N/A VAL 408.A N MET 404.A O no hydrogen 3.032 N/A ALA 409.A N LEU 405.A O no hydrogen 3.154 N/A ILE 410.A N GLY 406.A O no hydrogen 3.325 N/A ALA 411.A N ARG 407.A O no hydrogen 3.092 N/A TRP 412.A N VAL 408.A O no hydrogen 2.930 N/A CYS 413.A N ALA 409.A O no hydrogen 3.056 N/A CYS 413.A SG ARG 29.A O no hydrogen 3.613 N/A GLU 414.A N ILE 410.A O no hydrogen 2.765 N/A LEU 415.A N ALA 411.A O no hydrogen 3.239 N/A GLN 416.A N TRP 412.A O no hydrogen 3.065 N/A ASN 417.A N CYS 413.A O no hydrogen 3.077 N/A ASN 417.A ND2 ARG 29.A O no hydrogen 2.716 N/A HIS 418.A N GLU 414.A O no hydrogen 2.788 N/A GLU 419.A N LEU 415.A O no hydrogen 2.813 N/A LEU 420.A N GLN 416.A O no hydrogen 3.276 N/A LEU 420.A N ASN 417.A O no hydrogen 3.196 N/A THR 421.A N HIS 418.A O no hydrogen 3.339 N/A THR 421.A OG1 HIS 418.A O no hydrogen 3.229 N/A LEU 422.A N GLU 419.A O no hydrogen 2.737 N/A TRP 423.A N GLU 419.A O no hydrogen 3.100 N/A ASN 424.A N LEU 420.A O no hydrogen 2.827 N/A GLU 425.A N THR 421.A O no hydrogen 3.432 N/A ALA 426.A N LEU 422.A O no hydrogen 2.922 N/A ARG 427.A N TRP 423.A O no hydrogen 3.102 N/A LYS 428.A N GLU 425.A O no hydrogen 3.341 N/A LEU 429.A N GLU 425.A O no hydrogen 3.498 N/A ASN 430.A N ALA 426.A O no hydrogen 2.969 N/A ALA 433.A N ASN 430.A OD1 no hydrogen 3.111 N/A ILE 434.A N ASN 430.A O no hydrogen 3.038 N/A ALA 435.A N PRO 431.A O no hydrogen 2.912 N/A SER 436.A N ASN 432.A O no hydrogen 3.248 N/A SER 436.A OG ASN 432.A O no hydrogen 2.985 N/A SER 436.A OG ARG 441.A O no hydrogen 3.093 N/A VAL 437.A N ALA 433.A O no hydrogen 3.075 N/A THR 438.A N ILE 434.A O no hydrogen 3.250 N/A THR 438.A OG1 ILE 434.A O no hydrogen 3.147 N/A VAL 439.A N ALA 435.A O no hydrogen 2.812 N/A ARG 441.A N SER 436.A O no hydrogen 3.115 N/A ARG 442.A NH1 ASN 504.A O no hydrogen 2.891 N/A VAL 443.A N SER 436.A OG no hydrogen 2.899 N/A SER 444.A N SER 455.A O no hydrogen 2.718 N/A SER 444.A OG ASN 432.A OD1 no hydrogen 3.438 N/A ALA 445.A N ASN 432.A OD1 no hydrogen 3.218 N/A ARG 446.A N ALA 453.A O no hydrogen 2.817 N/A LEU 448.A N VAL 451.A O no hydrogen 3.311 N/A MET 452.A N VAL 23.A O no hydrogen 3.082 N/A ALA 453.A N ARG 446.A O no hydrogen 2.430 N/A VAL 454.A N THR 21.A O no hydrogen 2.535 N/A SER 455.A N SER 444.A O no hydrogen 3.012 N/A SER 455.A OG VAL 454.A O no hydrogen 2.670 N/A VAL 458.A N VAL 13.A O no hydrogen 2.923 N/A VAL 460.A N PHE 11.A O no hydrogen 2.691 N/A ASN 464.A N ALA 461.A O no hydrogen 2.810 N/A ILE 466.A N SER 487.A O no hydrogen 2.564 N/A VAL 467.A N ILE 2.A O no hydrogen 2.965 N/A GLN 468.A N LEU 485.A O no hydrogen 2.839 N/A GLN 468.A NE2 SER 487.A OG no hydrogen 2.852 N/A MET 471.A N TYR 537.A O no hydrogen 2.690 N/A ARG 472.A N SER 470.A OG no hydrogen 3.195 N/A CYS 480.A N GLU 515.A O no hydrogen 2.509 N/A TYR 481.A N MET 471.A O no hydrogen 2.758 N/A SER 482.A N ALA 513.A O no hydrogen 2.652 N/A ARG 483.A NH1 LEU 501.A O no hydrogen 3.505 N/A VAL 486.A N GLY 499.A O no hydrogen 3.193 N/A SER 487.A N ILE 466.A O no hydrogen 2.577 N/A PHE 488.A N VAL 497.A O no hydrogen 2.708 N/A ARG 489.A N ASN 464.A O no hydrogen 3.122 N/A ARG 489.A NH1 ASP 492.A O no hydrogen 3.078 N/A VAL 497.A N PHE 488.A O no hydrogen 2.390 N/A GLY 499.A N VAL 486.A O no hydrogen 2.948 N/A GLN 500.A N ARG 508.A O no hydrogen 2.587 N/A GLN 500.A NE2 ARG 483.A O no hydrogen 2.569 N/A GLN 500.A NE2 ALA 513.A O no hydrogen 2.946 N/A LEU 501.A N PRO 484.A O no hydrogen 2.877 N/A GLY 502.A N GLU 506.A O no hydrogen 2.926 N/A ASN 505.A ND2 GLY 528.A O no hydrogen 3.190 N/A GLU 506.A N GLU 503.A O no hydrogen 2.996 N/A LEU 507.A N TYR 12.A O no hydrogen 2.714 N/A ARG 508.A N GLN 500.A O no hydrogen 2.716 N/A ARG 508.A NH1 THR 510.A O no hydrogen 2.614 N/A ARG 508.A NH2 ASP 512.A OD1 no hydrogen 3.231 N/A ARG 508.A NH2 ASP 512.A OD2 no hydrogen 3.172 N/A ARG 511.A NE GLY 499.A O no hydrogen 2.929 N/A ARG 511.A NH2 VAL 486.A O no hydrogen 3.150 N/A ARG 511.A NH2 GLY 499.A O no hydrogen 3.466 N/A ASP 512.A N THR 510.A O no hydrogen 2.797 N/A ALA 513.A N GLN 500.A OE1 no hydrogen 3.025 N/A GLU 515.A N CYS 480.A O no hydrogen 2.606 N/A CYS 517.A N GLY 478.A O no hydrogen 2.470 N/A CYS 517.A SG GLY 478.A O no hydrogen 3.230 N/A CYS 517.A SG ALA 479.A O no hydrogen 3.809 N/A THR 518.A N TYR 537.A OH no hydrogen 2.544 N/A THR 518.A OG1 TYR 537.A OH no hydrogen 3.268 N/A ARG 523.A N PHE 534.A O no hydrogen 3.222 N/A PHE 525.A N VAL 532.A O no hydrogen 3.072 N/A PHE 527.A N GLY 530.A O no hydrogen 3.085 N/A GLY 528.A N ASN 505.A OD1 no hydrogen 2.948 N/A GLY 529.A N ASN 6.A O no hydrogen 2.999 N/A GLY 530.A N PHE 527.A O no hydrogen 3.255 N/A TYR 531.A N LEU 543.A O no hydrogen 3.092 N/A VAL 532.A N PHE 525.A O no hydrogen 2.997 N/A TYR 533.A N HIS 541.A O no hydrogen 2.644 N/A TYR 533.A OH GLU 535.A OE2 no hydrogen 3.345 N/A PHE 534.A N ARG 523.A O no hydrogen 3.102 N/A GLU 535.A N ALA 538.A O no hydrogen 2.868 N/A GLU 536.A N HIS 521.A O no hydrogen 2.767 N/A ALA 538.A N GLU 535.A O no hydrogen 2.914 N/A TYR 539.A N ASN 469.A O no hydrogen 2.865 N/A SER 540.A N TYR 533.A O no hydrogen 2.677 N/A SER 540.A OG HIS 541.A ND1 no hydrogen 2.799 N/A HIS 541.A N TYR 533.A O no hydrogen 3.349 N/A HIS 541.A ND1 SER 540.A OG no hydrogen 2.799 N/A GLN 542.A NE2 LYS 3.A O no hydrogen 2.498 N/A GLN 542.A NE2 TYR 539.A OH no hydrogen 3.385 N/A LEU 543.A N TYR 531.A O no hydrogen 2.568 N/A SER 544.A N ASP 547.A OD1 no hydrogen 3.500 N/A ALA 546.A N SER 544.A OG no hydrogen 3.384 N/A ASP 547.A N SER 544.A O no hydrogen 2.891 N/A PHE 554.A N SER 552.A OG no hydrogen 3.063 N/A GLU 563.A N GLU 563.A OE1 no hydrogen 2.615 N/A THR 574.A N GLU 577.A OE2 no hydrogen 2.862 N/A GLU 577.A N THR 574.A O no hydrogen 2.741 N/A GLU 577.A N THR 574.A OG1 no hydrogen 3.266 N/A ILE 578.A N THR 574.A O no hydrogen 3.118 N/A LYS 579.A N ARG 575.A O no hydrogen 3.058 N/A ASP 580.A N HIS 576.A O no hydrogen 3.219 N/A SER 581.A N ILE 578.A O no hydrogen 3.223 N/A SER 581.A OG ILE 578.A O no hydrogen 2.498 N/A VAL 589.A N ASP 585.A O no hydrogen 2.861 N/A GLN 590.A N TYR 586.A O no hydrogen 2.844 N/A ARG 591.A N THR 587.A O no hydrogen 2.943 N/A ARG 592.A N GLU 588.A O no hydrogen 3.200 N/A ASN 593.A N VAL 589.A O no hydrogen 2.728 N/A GLN 594.A N GLN 590.A O no hydrogen 2.938 N/A GLN 594.A NE2 GLN 590.A OE1 no hydrogen 2.930 N/A LEU 595.A N ARG 592.A O no hydrogen 3.197 N/A HIS 596.A N ASN 593.A O no hydrogen 3.096 N/A ARG 599.A N LEU 595.A O no hydrogen 2.801 N/A ARG 599.A N HIS 596.A O no hydrogen 2.752 N/A PHE 600.A N HIS 596.A O no hydrogen 2.851 N/A ALA 601.A N ASP 597.A O no hydrogen 2.977 N/A ASP 604.A N ASP 602.A OD1 no hydrogen 2.715 N/A THR 605.A N ASP 602.A OD1 no hydrogen 2.854 N/A THR 605.A OG1 ASP 602.A OD2 no hydrogen 2.885 N/A