Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jha_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 46.A OD1 no hydrogen 2.457 N/A VAL 6.A N GLY 65.A O no hydrogen 2.585 N/A LEU 7.A N VAL 47.A O no hydrogen 2.416 N/A TYR 8.A OH GLY 51.A O no hydrogen 3.135 N/A VAL 9.A N ALA 49.A O no hydrogen 3.107 N/A THR 10.A N ILE 69.A O no hydrogen 3.064 N/A THR 10.A OG1 GLU 12.A OE1 no hydrogen 2.692 N/A THR 10.A OG1 GLU 12.A OE2 no hydrogen 2.675 N/A THR 10.A OG1 SER 70.A OG no hydrogen 2.351 N/A LEU 13.A N THR 10.A O no hydrogen 2.820 N/A SER 14.A N ASN 11.A O no hydrogen 2.769 N/A LYS 18.A NZ SER 14.A OG no hydrogen 3.401 N/A ASP 19.A N ILE 16.A O no hydrogen 2.497 N/A GLY 20.A N VAL 17.A O no hydrogen 3.070 N/A TRP 25.A N TYR 48.A O no hydrogen 2.784 N/A LEU 27.A N TYR 50.A O no hydrogen 2.755 N/A ASP 30.A N THR 28.A O no hydrogen 2.324 N/A ASP 30.A N GLU 31.A OE1 no hydrogen 3.281 N/A SER 32.A N ASP 35.A OD1 no hydrogen 3.266 N/A SER 32.A OG ASP 35.A OD1 no hydrogen 2.591 N/A ASP 35.A N SER 32.A O no hydrogen 2.978 N/A LEU 36.A N LEU 33.A O no hydrogen 3.126 N/A TRP 37.A NE1 ARG 511.A O no hydrogen 2.985 N/A TRP 37.A NE1 PHE 512.A O no hydrogen 2.866 N/A GLU 39.A N ASP 35.A O no hydrogen 2.672 N/A ASN 40.A ND2 HIS 64.A ND1 no hydrogen 3.030 N/A ASN 40.A ND2 HIS 64.A O no hydrogen 2.907 N/A GLY 41.A N TRP 37.A O no hydrogen 3.029 N/A LYS 42.A N GLU 39.A O no hydrogen 2.458 N/A THR 45.A OG1 ASP 46.A O no hydrogen 2.622 N/A VAL 47.A N ALA 5.A O no hydrogen 2.903 N/A TYR 48.A N PRO 23.A O no hydrogen 3.142 N/A TYR 48.A OH GLU 102.A OE2 no hydrogen 2.673 N/A ALA 49.A N LEU 7.A O no hydrogen 3.434 N/A SER 54.A N ASP 52.A OD1 no hydrogen 2.843 N/A SER 54.A OG ASP 52.A OD1 no hydrogen 2.654 N/A SER 54.A OG ASP 52.A OD2 no hydrogen 3.010 N/A THR 57.A N GLN 60.A OE1 no hydrogen 3.461 N/A THR 57.A OG1 GLU 575.A OE1 no hydrogen 3.306 N/A ILE 58.A N ASP 79.A OD2 no hydrogen 3.402 N/A ARG 59.A NH1 ASP 506.A OD1 no hydrogen 3.185 N/A ARG 59.A NH2 LEU 467.A O no hydrogen 3.241 N/A ARG 59.A NH2 ASP 506.A OD2 no hydrogen 2.612 N/A GLN 60.A N THR 57.A OG1 no hydrogen 3.322 N/A GLN 60.A NE2 VAL 576.A O no hydrogen 3.244 N/A ARG 62.A N ILE 58.A O no hydrogen 2.501 N/A ARG 62.A NH1 PHE 66.A O no hydrogen 3.084 N/A ARG 62.A NH1 ASP 85.A OD1 no hydrogen 2.552 N/A ARG 62.A NH2 ASP 85.A OD2 no hydrogen 2.966 N/A ARG 62.A NH2 LEU 481.A O no hydrogen 3.239 N/A GLY 63.A N ARG 59.A O no hydrogen 2.730 N/A HIS 64.A N LEU 61.A O no hydrogen 3.225 N/A GLY 65.A N ARG 62.A O no hydrogen 2.731 N/A PHE 66.A N LEU 61.A O no hydrogen 3.043 N/A ILE 67.A N VAL 6.A O no hydrogen 2.721 N/A PHE 68.A N ASP 85.A OD1 no hydrogen 3.247 N/A ILE 69.A N TYR 8.A O no hydrogen 2.800 N/A SER 70.A N VAL 86.A O no hydrogen 3.311 N/A SER 70.A OG THR 10.A OG1 no hydrogen 2.351 N/A SER 70.A OG GLU 12.A OE2 no hydrogen 2.995 N/A SER 70.A OG HIS 72.A ND1 no hydrogen 3.239 N/A THR 71.A N GLU 12.A OE2 no hydrogen 3.481 N/A THR 71.A OG1 GLU 12.A OE2 no hydrogen 2.877 N/A HIS 72.A N SER 70.A OG no hydrogen 2.963 N/A ALA 78.A N TRP 56.A O no hydrogen 2.903 N/A LYS 82.A NZ THR 83.A O no hydrogen 3.033 N/A LYS 82.A NZ ASP 85.A OD2 no hydrogen 3.245 N/A LYS 82.A NZ ASP 480.A O no hydrogen 2.411 N/A THR 83.A N ASP 480.A OD1 no hydrogen 2.801 N/A VAL 84.A N LYS 73.A O no hydrogen 2.509 N/A VAL 86.A N PHE 68.A O no hydrogen 2.829 N/A ILE 88.A N SER 70.A O no hydrogen 2.876 N/A ALA 93.A N ARG 90.A O no hydrogen 2.755 N/A ASP 97.A N ALA 93.A O no hydrogen 3.343 N/A LYS 99.A N ASP 97.A OD1 no hydrogen 2.694 N/A PHE 101.A N ASP 97.A O no hydrogen 3.381 N/A GLU 102.A N MET 98.A O no hydrogen 3.036 N/A ASN 103.A N LYS 99.A O no hydrogen 2.701 N/A GLU 104.A N ALA 100.A O no hydrogen 2.892 N/A ILE 105.A N PHE 101.A O no hydrogen 2.912 N/A GLY 106.A N GLU 102.A O no hydrogen 3.113 N/A ARG 109.A N ILE 105.A O no hydrogen 3.032 N/A ILE 110.A N GLY 106.A O no hydrogen 2.999 N/A ILE 110.A N ARG 107.A O no hydrogen 2.589 N/A ARG 111.A N ARG 107.A O no hydrogen 2.778 N/A MET 112.A N ARG 108.A O no hydrogen 2.415 N/A ARG 113.A N ARG 109.A O no hydrogen 3.255 N/A GLY 115.A N MET 112.A O no hydrogen 2.772 N/A ASP 118.A N LYS 114.A O no hydrogen 2.876 N/A ALA 119.A N GLY 115.A O no hydrogen 3.063 N/A LEU 120.A N PHE 116.A O no hydrogen 3.237 N/A ARG 121.A N GLY 117.A O no hydrogen 2.956 N/A ASN 122.A N ASP 118.A O no hydrogen 2.702 N/A TYR 123.A N ALA 119.A O no hydrogen 2.974 N/A TYR 123.A N LEU 120.A O no hydrogen 2.604 N/A ALA 124.A N LEU 120.A O no hydrogen 3.211 N/A ALA 124.A N ARG 121.A O no hydrogen 2.846 N/A PHE 125.A N ARG 121.A O no hydrogen 3.067 N/A LYS 126.A N TYR 123.A O no hydrogen 2.832 N/A MET 127.A N ALA 124.A O no hydrogen 2.673 N/A ALA 128.A N ALA 124.A O no hydrogen 2.428 N/A ILE 129.A N PRO 397.A O no hydrogen 3.039 N/A GLU 130.A N PRO 397.A O no hydrogen 2.991 N/A PHE 131.A N LYS 148.A O no hydrogen 3.017 N/A HIS 132.A N ALA 399.A O no hydrogen 3.043 N/A HIS 132.A NE2 GLU 130.A OE1 no hydrogen 2.947 N/A SER 134.A N TYR 150.A O no hydrogen 2.925 N/A SER 134.A OG PHE 131.A O no hydrogen 3.330 N/A SER 134.A OG TYR 150.A O no hydrogen 2.540 N/A ALA 136.A N GLU 380.A OE2 no hydrogen 3.519 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.600 N/A THR 138.A OG1 GLU 137.A OE2 no hydrogen 3.100 N/A LEU 139.A N GLU 135.A O no hydrogen 2.932 N/A ASN 140.A N ALA 136.A O no hydrogen 2.846 N/A ALA 142.A N LEU 139.A O no hydrogen 3.043 N/A ARG 145.A N ASN 143.A OD1 no hydrogen 3.121 N/A LEU 146.A N ASN 143.A O no hydrogen 2.682 N/A HIS 147.A N ASN 143.A O no hydrogen 2.768 N/A LYS 148.A N ILE 129.A O no hydrogen 2.787 N/A TYR 150.A N PHE 131.A O no hydrogen 2.773 N/A GLY 151.A N VAL 385.A O no hydrogen 3.170 N/A TYR 159.A N LEU 315.A O no hydrogen 2.913 N/A MET 160.A N TYR 162.A O no hydrogen 2.902 N/A GLU 172.A N ASP 171.A OD1 no hydrogen 2.810 N/A THR 174.A OG1 GLU 172.A O no hydrogen 3.050 N/A THR 174.A OG1 ARG 370.A O no hydrogen 3.472 N/A SER 180.A N GLU 176.A O no hydrogen 2.870 N/A SER 180.A OG ASP 175.A O no hydrogen 2.410 N/A SER 180.A OG GLU 176.A O no hydrogen 3.298 N/A MET 181.A N LEU 178.A O no hydrogen 3.101 N/A ASP 183.A N VAL 179.A O no hydrogen 2.920 N/A TYR 184.A N MET 181.A O no hydrogen 3.072 N/A ILE 185.A N MET 181.A O no hydrogen 3.052 N/A VAL 186.A N LEU 182.A O no hydrogen 2.932 N/A SER 188.A OG GLU 258.A OE1 no hydrogen 2.746 N/A SER 188.A OG GLU 258.A OE2 no hydrogen 2.955 N/A GLU 190.A N GLU 258.A O no hydrogen 2.806 N/A GLU 191.A N GLU 258.A O no hydrogen 3.260 N/A VAL 192.A N LEU 218.A O no hydrogen 2.500 N/A HIS 193.A N LEU 260.A O no hydrogen 2.832 N/A HIS 193.A NE2 GLU 191.A OE1 no hydrogen 2.807 N/A TYR 194.A N HIS 220.A O no hydrogen 2.875 N/A ILE 195.A N ILE 262.A O no hydrogen 2.661 N/A GLY 196.A N TYR 222.A O no hydrogen 2.734 N/A GLY 198.A N ASP 223.A OD2 no hydrogen 2.799 N/A ARG 201.A N ASP 199.A OD1 no hydrogen 3.074 N/A MET 204.A N LEU 200.A O no hydrogen 2.721 N/A GLN 205.A N ARG 201.A O no hydrogen 2.746 N/A PHE 206.A N THR 202.A O no hydrogen 3.171 N/A LYS 207.A N LEU 203.A O no hydrogen 3.330 N/A LYS 207.A NZ ASP 231.A OD1 no hydrogen 2.653 N/A LYS 207.A NZ ASP 231.A OD2 no hydrogen 2.663 N/A LYS 208.A N MET 204.A O no hydrogen 2.932 N/A ARG 209.A N PHE 206.A O no hydrogen 3.264 N/A ARG 209.A NH1 GLN 205.A O no hydrogen 3.474 N/A SER 210.A N PHE 206.A O no hydrogen 2.696 N/A SER 210.A OG PHE 206.A O no hydrogen 3.157 N/A ARG 215.A N PRO 211.A O no hydrogen 2.882 N/A ARG 216.A N GLY 212.A O no hydrogen 2.952 N/A LEU 218.A N GLU 190.A O no hydrogen 2.751 N/A TRP 219.A N ASN 233.A O no hydrogen 3.129 N/A TRP 219.A NE1 PHE 214.A O no hydrogen 2.980 N/A HIS 220.A N VAL 192.A O no hydrogen 2.885 N/A HIS 220.A ND1 HIS 237.A NE2 no hydrogen 2.639 N/A VAL 221.A N ILE 235.A O no hydrogen 3.331 N/A TYR 222.A N TYR 194.A O no hydrogen 2.713 N/A TYR 222.A OH HIS 193.A ND1 no hydrogen 2.620 N/A ASP 223.A N HIS 237.A O no hydrogen 2.643 N/A ILE 225.A N ASP 223.A OD1 no hydrogen 2.632 N/A ALA 226.A N ASP 223.A O no hydrogen 3.187 N/A ASN 233.A ND2 VAL 217.A O no hydrogen 2.838 N/A HIS 237.A N VAL 221.A O no hydrogen 2.952 N/A ASN 238.A ND2 PRO 224.A O no hydrogen 3.086 N/A ASN 238.A ND2 ALA 226.A O no hydrogen 2.848 N/A SER 243.A N ASP 246.A OD2 no hydrogen 2.807 N/A LYS 245.A N SER 243.A OG no hydrogen 2.514 N/A ILE 247.A N LYS 244.A O no hydrogen 3.038 N/A LEU 248.A N LYS 244.A O no hydrogen 2.866 N/A HIS 250.A N ILE 247.A O no hydrogen 3.235 N/A LEU 254.A N ASN 252.A OD1 no hydrogen 3.234 N/A LEU 260.A N GLU 191.A O no hydrogen 2.849 N/A PHE 261.A N SER 294.A O no hydrogen 2.964 N/A ILE 262.A N HIS 193.A O no hydrogen 2.824 N/A TRP 263.A N LEU 296.A O no hydrogen 3.339 N/A ASP 264.A N ILE 195.A O no hydrogen 2.812 N/A SER 267.A OG GLU 277.A OE2 no hydrogen 2.521 N/A PHE 275.A N THR 272.A O no hydrogen 2.599 N/A ALA 276.A N THR 272.A O no hydrogen 2.932 N/A GLU 277.A N THR 273.A O no hydrogen 3.120 N/A ASP 278.A N ARG 274.A O no hydrogen 3.464 N/A ARG 279.A N PHE 275.A O no hydrogen 3.003 N/A ARG 279.A NH2 ASP 278.A OD2 no hydrogen 3.330 N/A GLY 281.A N GLU 277.A O no hydrogen 2.800 N/A GLU 282.A N ASP 278.A O no hydrogen 2.942 N/A GLU 283.A N ARG 279.A O no hydrogen 2.637 N/A ILE 284.A N LEU 280.A O no hydrogen 2.802 N/A ALA 285.A N GLY 281.A O no hydrogen 3.373 N/A TYR 286.A N GLU 282.A O no hydrogen 2.625 N/A GLU 287.A N GLU 283.A O no hydrogen 2.904 N/A MET 288.A N ILE 284.A O no hydrogen 3.239 N/A GLY 289.A N TYR 286.A O no hydrogen 3.063 N/A ALA 291.A N MET 288.A O no hydrogen 3.084 N/A PHE 292.A N MET 288.A O no hydrogen 3.492 N/A SER 293.A N ARG 259.A O no hydrogen 3.142 N/A SER 293.A OG GLU 258.A OE2 no hydrogen 3.055 N/A SER 293.A OG SER 294.A OG no hydrogen 2.696 N/A SER 294.A OG SER 293.A OG no hydrogen 2.696 N/A ALA 295.A N MET 332.A O no hydrogen 2.821 N/A LEU 296.A N PHE 261.A O no hydrogen 2.715 N/A ILE 297.A N ASN 330.A O no hydrogen 3.051 N/A LYS 298.A N TRP 263.A O no hydrogen 2.797 N/A LYS 298.A NZ GLU 327.A OE1 no hydrogen 2.754 N/A ARG 300.A NH1 GLU 277.A OE1 no hydrogen 2.764 N/A ARG 300.A NH1 ASP 278.A OD1 no hydrogen 3.291 N/A ARG 300.A NH2 GLU 277.A OE1 no hydrogen 3.255 N/A ILE 301.A N TYR 326.A O no hydrogen 3.308 N/A TYR 308.A N VAL 353.A O no hydrogen 2.899 N/A CYS 310.A N THR 351.A O no hydrogen 3.223 N/A CYS 310.A SG THR 351.A O no hydrogen 3.656 N/A SER 312.A N SER 349.A O no hydrogen 2.790 N/A SER 312.A OG TYR 314.A O no hydrogen 2.975 N/A THR 313.A N PHE 331.A O no hydrogen 2.817 N/A THR 313.A OG1 ARG 333.A O no hydrogen 3.497 N/A THR 313.A OG1 PRO 346.A O no hydrogen 3.001 N/A TYR 314.A N PHE 331.A O no hydrogen 2.826 N/A TYR 314.A OH HIS 345.A ND1 no hydrogen 2.604 N/A LEU 315.A N TYR 159.A O no hydrogen 3.167 N/A PHE 316.A N ARG 329.A O no hydrogen 2.928 N/A GLN 318.A N HIS 366.A NE2 no hydrogen 3.093 N/A GLN 318.A NE2 GLU 327.A O no hydrogen 2.464 N/A GLN 318.A NE2 GLU 327.A OE2 no hydrogen 3.154 N/A TYR 326.A OH GLU 363.A OE2 no hydrogen 2.976 N/A LEU 328.A N HIS 299.A O no hydrogen 3.230 N/A ARG 329.A N PHE 316.A O no hydrogen 3.036 N/A ARG 329.A NE GLN 318.A OE1 no hydrogen 3.177 N/A ARG 329.A NH1 ASP 264.A OD1 no hydrogen 3.488 N/A ARG 329.A NH2 ASP 264.A OD1 no hydrogen 2.682 N/A ASN 330.A N ILE 297.A O no hydrogen 2.773 N/A ASN 330.A ND2 TYR 314.A O no hydrogen 2.846 N/A PHE 331.A N TYR 314.A O no hydrogen 2.892 N/A MET 332.A N ALA 295.A O no hydrogen 2.901 N/A ARG 333.A N THR 313.A OG1 no hydrogen 2.827 N/A ARG 333.A NH1 HIS 345.A O no hydrogen 2.989 N/A LEU 334.A N SER 293.A O no hydrogen 2.758 N/A ARG 335.A NH2 GLY 289.A O no hydrogen 2.946 N/A SER 338.A OG VAL 340.A O no hydrogen 2.759 N/A HIS 339.A N GLU 258.A OE1 no hydrogen 3.082 N/A HIS 339.A NE2 GLU 190.A OE2 no hydrogen 2.632 N/A VAL 340.A N SER 338.A OG no hydrogen 3.315 N/A ARG 342.A NE LEU 382.A O no hydrogen 2.884 N/A ARG 342.A NH1 GLU 258.A OE2 no hydrogen 3.174 N/A ARG 342.A NH2 HIS 383.A ND1 no hydrogen 2.658 N/A HIS 343.A N ASP 341.A OD1 no hydrogen 3.094 N/A HIS 345.A ND1 TYR 314.A OH no hydrogen 2.604 N/A HIS 345.A NE2 HIS 381.A O no hydrogen 2.916 N/A ALA 348.A N ARG 333.A O no hydrogen 3.337 N/A SER 349.A N SER 312.A O no hydrogen 2.899 N/A SER 349.A OG ASP 347.A O no hydrogen 3.353 N/A THR 351.A OG1 SER 349.A O no hydrogen 3.259 N/A LYS 352.A NZ GLU 307.A OE1 no hydrogen 2.557 N/A VAL 353.A N TYR 308.A O no hydrogen 2.680 N/A VAL 354.A N TYR 159.A OH no hydrogen 2.979 N/A SER 355.A N ASP 306.A O no hydrogen 3.188 N/A SER 355.A OG LYS 305.A O no hydrogen 2.729 N/A VAL 358.A N VAL 354.A O no hydrogen 3.242 N/A VAL 358.A N SER 355.A O no hydrogen 2.988 N/A ARG 359.A N SER 355.A O no hydrogen 2.694 N/A LYS 360.A N ARG 356.A O no hydrogen 2.835 N/A VAL 362.A N VAL 358.A O no hydrogen 3.162 N/A GLU 363.A N ARG 359.A O no hydrogen 3.186 N/A LEU 364.A N LYS 360.A O no hydrogen 3.183 N/A TYR 365.A N VAL 362.A O no hydrogen 3.377 N/A TYR 365.A OH THR 167.A O no hydrogen 2.798 N/A HIS 366.A N VAL 362.A O no hydrogen 2.987 N/A GLY 367.A N ALA 321.A O no hydrogen 2.879 N/A ARG 368.A NH1 THR 174.A O no hydrogen 3.228 N/A ARG 368.A NH1 ARG 368.A O no hydrogen 2.496 N/A ARG 368.A NH2 THR 174.A O no hydrogen 2.478 N/A ARG 370.A N GLY 367.A O no hydrogen 2.753 N/A ARG 370.A NH1 PHE 169.A O no hydrogen 2.678 N/A ARG 370.A NH2 PHE 169.A O no hydrogen 3.409 N/A ARG 372.A N GLU 172.A O no hydrogen 2.694 N/A ARG 372.A NH1 GLU 172.A OE1 no hydrogen 3.444 N/A PHE 373.A N ASP 171.A OD1 no hydrogen 2.584 N/A LEU 374.A N ASP 171.A OD2 no hydrogen 3.209 N/A LYS 375.A N GLY 371.A O no hydrogen 2.695 N/A LYS 375.A NZ ASP 183.A OD2 no hydrogen 3.066 N/A LYS 376.A N ARG 372.A O no hydrogen 3.221 N/A ARG 377.A N PHE 373.A O no hydrogen 2.943 N/A LEU 378.A N LEU 374.A O no hydrogen 2.933 N/A PHE 379.A N LYS 375.A O no hydrogen 2.868 N/A GLU 380.A N LYS 376.A O no hydrogen 2.514 N/A HIS 381.A N ARG 377.A O no hydrogen 2.842 N/A LEU 382.A N LEU 378.A O no hydrogen 2.826 N/A HIS 383.A N PHE 379.A O no hydrogen 3.224 N/A HIS 383.A NE2 TYR 184.A O no hydrogen 2.613 N/A ILE 384.A N GLU 380.A O no hydrogen 3.145 N/A VAL 385.A N ILE 149.A O no hydrogen 2.958 N/A ARG 386.A NH1 PRO 153.A O no hydrogen 2.603 N/A ARG 386.A NH2 PRO 153.A O no hydrogen 3.551 N/A LYS 387.A N GLY 151.A O no hydrogen 3.094 N/A LEU 391.A N ASN 388.A O no hydrogen 2.963 N/A HIS 392.A N ASN 388.A O no hydrogen 2.788 N/A HIS 392.A N GLY 389.A O no hydrogen 2.985 N/A SER 394.A OG GLU 396.A O no hydrogen 3.508 N/A ARG 398.A NE ASP 400.A OD1 no hydrogen 2.868 N/A ARG 398.A NE ASP 400.A OD2 no hydrogen 3.291 N/A ARG 398.A NH1 HIS 392.A O no hydrogen 3.062 N/A ARG 398.A NH2 ASP 400.A OD1 no hydrogen 2.480 N/A ALA 399.A N GLU 130.A O no hydrogen 2.880 N/A ASP 400.A N ILE 425.A O no hydrogen 2.740 N/A PHE 402.A N THR 427.A OG1 no hydrogen 3.121 N/A TYR 403.A OH ASP 400.A OD1 no hydrogen 3.238 N/A THR 405.A OG1 ASP 440.A OD1 no hydrogen 2.823 N/A ASN 406.A N TYR 403.A O no hydrogen 3.458 N/A ASN 406.A ND2 ASP 440.A OD1 no hydrogen 2.768 N/A ASN 409.A N ASN 406.A O no hydrogen 2.985 N/A ASN 409.A ND2 LEU 404.A O no hydrogen 2.957 N/A ASN 409.A ND2 ASN 406.A O no hydrogen 3.696 N/A LEU 412.A N ASN 409.A O no hydrogen 3.237 N/A SER 415.A OG LEU 412.A O no hydrogen 2.401 N/A TYR 417.A N GLU 413.A O no hydrogen 3.154 N/A GLU 418.A N PRO 414.A O no hydrogen 3.185 N/A VAL 419.A N SER 415.A O no hydrogen 2.794 N/A MET 420.A N ILE 416.A O no hydrogen 3.059 N/A LYS 421.A N TYR 417.A O no hydrogen 2.694 N/A LYS 422.A N VAL 419.A O no hydrogen 2.633 N/A SER 423.A OG ARG 398.A O no hydrogen 3.163 N/A SER 423.A OG ASP 400.A OD2 no hydrogen 2.180 N/A VAL 424.A N ARG 398.A O no hydrogen 3.131 N/A ALA 426.A N SER 494.A O no hydrogen 3.401 N/A THR 427.A N ASP 400.A O no hydrogen 3.150 N/A ALA 428.A N ALA 492.A O no hydrogen 2.734 N/A TRP 429.A N THR 405.A OG1 no hydrogen 2.812 N/A VAL 430.A N ASN 490.A O no hydrogen 2.652 N/A PHE 441.A N THR 405.A O no hydrogen 3.122 N/A LEU 443.A N TRP 429.A O no hydrogen 3.176 N/A ARG 445.A NH2 GLY 541.A O no hydrogen 2.637 N/A SER 446.A OG GLU 599.A OE1 no hydrogen 3.375 N/A THR 447.A N SER 446.A OG no hydrogen 2.791 N/A THR 447.A OG1 GLU 599.A OE1 no hydrogen 2.764 N/A VAL 448.A N PRO 444.A O no hydrogen 2.866 N/A MET 449.A N ARG 445.A O no hydrogen 2.576 N/A LEU 450.A N SER 446.A O no hydrogen 2.949 N/A ASN 451.A N THR 447.A O no hydrogen 3.068 N/A GLY 452.A N VAL 448.A O no hydrogen 2.856 N/A TYR 454.A N ILE 457.A O no hydrogen 2.944 N/A ARG 458.A N LEU 495.A O no hydrogen 2.768 N/A ARG 458.A NH1 TYR 454.A O no hydrogen 2.733 N/A ARG 458.A NH1 ASP 546.A OD2 no hydrogen 2.985 N/A ARG 458.A NH2 TYR 454.A O no hydrogen 3.479 N/A ARG 458.A NH2 ARG 455.A O no hydrogen 3.198 N/A ARG 458.A NH2 GLU 497.A O no hydrogen 2.823 N/A ILE 459.A N ASP 546.A OD1 no hydrogen 2.907 N/A ASP 461.A N VAL 544.A O no hydrogen 2.925 N/A GLY 462.A N PHE 491.A O no hydrogen 2.926 N/A GLY 464.A N ASP 461.A OD1 no hydrogen 2.880 N/A ALA 465.A N ASP 461.A O no hydrogen 2.863 N/A ILE 466.A N GLY 462.A O no hydrogen 2.869 N/A LEU 467.A N ASN 463.A O no hydrogen 2.840 N/A PHE 468.A N GLY 464.A O no hydrogen 2.833 N/A LEU 469.A N ALA 465.A O no hydrogen 2.715 N/A MET 470.A N ILE 466.A O no hydrogen 2.872 N/A TRP 471.A N LEU 467.A O no hydrogen 3.104 N/A TRP 471.A N PHE 468.A O no hydrogen 2.893 N/A TRP 471.A NE1 SER 572.A O no hydrogen 2.746 N/A ARG 472.A N PHE 468.A O no hydrogen 2.785 N/A TYR 473.A N LEU 469.A O no hydrogen 2.864 N/A TYR 473.A OH GLU 497.A OE2 no hydrogen 2.789 N/A ILE 476.A N TYR 473.A O no hydrogen 2.791 N/A VAL 477.A N TYR 473.A O no hydrogen 3.255 N/A LYS 479.A NZ ASP 79.A OD1 no hydrogen 3.124 N/A LYS 479.A NZ ASP 79.A OD2 no hydrogen 3.435 N/A THR 482.A OG1 ASP 85.A OD2 no hydrogen 3.343 N/A TRP 487.A N ASP 484.A OD1 no hydrogen 3.391 N/A ALA 488.A N ASP 484.A O no hydrogen 2.831 N/A MET 489.A N PRO 485.A O no hydrogen 3.038 N/A MET 489.A N ALA 486.A O no hydrogen 2.837 N/A ASN 490.A N TRP 487.A O no hydrogen 2.713 N/A ASN 490.A ND2 TRP 487.A O no hydrogen 3.393 N/A PHE 491.A N ALA 488.A O no hydrogen 3.339 N/A ALA 492.A N ALA 428.A O no hydrogen 2.512 N/A VAL 493.A N LEU 460.A O no hydrogen 2.617 N/A SER 494.A N ALA 426.A O no hydrogen 3.090 N/A SER 494.A OG ALA 426.A O no hydrogen 3.375 N/A LEU 495.A N ARG 458.A O no hydrogen 2.836 N/A LYS 496.A N VAL 424.A O no hydrogen 2.840 N/A GLU 497.A N ASP 456.A O no hydrogen 2.710 N/A VAL 504.A N PRO 502.A O no hydrogen 2.565 N/A ASP 506.A N VAL 504.A O no hydrogen 2.830 N/A ILE 507.A N GLU 575.A O no hydrogen 2.562 N/A SER 508.A N ASP 506.A OD2 no hydrogen 3.274 N/A SER 508.A OG ASP 506.A OD2 no hydrogen 3.488 N/A LEU 509.A N ASP 506.A O no hydrogen 2.540 N/A CYS 510.A N ASP 506.A O no hydrogen 2.838 N/A ARG 511.A NE ILE 507.A O no hydrogen 3.026 N/A ARG 511.A NH1 ASP 461.A OD1 no hydrogen 3.369 N/A ARG 511.A NH1 ASP 461.A OD2 no hydrogen 2.865 N/A ARG 511.A NH2 ASP 461.A OD2 no hydrogen 2.940 N/A ARG 511.A NH2 SER 508.A O no hydrogen 3.415 N/A GLU 518.A N GLY 514.A O no hydrogen 2.676 N/A SER 519.A N LEU 515.A O no hydrogen 2.819 N/A SER 519.A N ARG 516.A O no hydrogen 3.078 N/A SER 519.A OG ARG 516.A O no hydrogen 2.600 N/A SER 520.A N ARG 516.A O no hydrogen 3.184 N/A VAL 521.A N VAL 517.A O no hydrogen 3.394 N/A ARG 523.A N SER 519.A O no hydrogen 3.303 N/A VAL 524.A N SER 520.A O no hydrogen 3.230 N/A VAL 524.A N VAL 521.A O no hydrogen 3.233 N/A ARG 525.A N VAL 521.A O no hydrogen 3.228 N/A ARG 525.A N LEU 522.A O no hydrogen 2.965 N/A ASN 526.A N LEU 522.A O no hydrogen 2.837 N/A HIS 533.A N ASP 529.A O no hydrogen 2.655 N/A LEU 534.A N SER 531.A O no hydrogen 3.363 N/A VAL 536.A N GLY 532.A O no hydrogen 3.108 N/A THR 537.A OG1 HIS 533.A O no hydrogen 2.944 N/A THR 537.A OG1 LEU 534.A O no hydrogen 2.438 N/A LEU 538.A N TYR 535.A O no hydrogen 3.351 N/A MET 539.A N TYR 535.A O no hydrogen 2.830 N/A SER 540.A N VAL 536.A O no hydrogen 2.624 N/A SER 540.A OG VAL 536.A O no hydrogen 3.071 N/A GLY 541.A N LEU 538.A O no hydrogen 3.261 N/A ALA 542.A N SER 540.A OG no hydrogen 3.401 N/A TYR 543.A OH ILE 513.A O no hydrogen 2.537 N/A THR 545.A OG1 LEU 509.A O no hydrogen 3.134 N/A PHE 548.A N SER 453.A OG no hydrogen 3.144 N/A TRP 549.A N ASP 546.A OD2 no hydrogen 2.656 N/A TRP 549.A NE1 PRO 503.A O no hydrogen 2.931 N/A TRP 550.A N ASP 546.A O no hydrogen 2.963 N/A PHE 551.A N LEU 547.A O no hydrogen 2.578 N/A LYS 552.A N PHE 548.A O no hydrogen 2.719 N/A MET 553.A N TRP 549.A O no hydrogen 2.701 N/A MET 553.A N TRP 550.A O no hydrogen 2.916 N/A ILE 554.A N TRP 550.A O no hydrogen 3.105 N/A ILE 554.A N PHE 551.A O no hydrogen 2.618 N/A LEU 555.A N PHE 551.A O no hydrogen 3.430 N/A TRP 557.A N ILE 554.A O no hydrogen 3.286 N/A TRP 557.A NE1 ASP 568.A OD2 no hydrogen 3.059 N/A SER 558.A N ILE 554.A O no hydrogen 2.751 N/A GLN 560.A NE2 ASP 556.A O no hydrogen 3.107 N/A ARG 567.A NE GLU 563.A O no hydrogen 3.396 N/A SER 572.A N LEU 569.A O no hydrogen 2.379 N/A SER 572.A OG ASP 568.A O no hydrogen 3.133 N/A GLU 575.A N ASP 506.A OD1 no hydrogen 2.560 N/A TRP 579.A N ASN 34.A OD1 no hydrogen 3.054 N/A ASP 583.A N VAL 580.A O no hydrogen 3.204 N/A ILE 585.A N ARG 581.A O no hydrogen 3.400 N/A ALA 586.A N ASP 583.A O no hydrogen 3.026 N/A ALA 587.A N ASP 583.A O no hydrogen 3.313 N/A LEU 588.A N LEU 584.A O no hydrogen 3.104 N/A ARG 589.A N ILE 585.A O no hydrogen 3.174 N/A GLU 590.A N ALA 586.A O no hydrogen 2.741 N/A TYR 591.A N ALA 587.A O no hydrogen 2.808 N/A TYR 591.A OH GLU 599.A OE1 no hydrogen 3.123 N/A TYR 591.A OH GLU 599.A OE2 no hydrogen 2.878 N/A LYS 592.A N LEU 588.A O no hydrogen 2.989 N/A ARG 593.A N ARG 589.A O no hydrogen 2.730 N/A LYS 594.A N GLU 590.A O no hydrogen 3.004 N/A LYS 594.A N TYR 591.A O no hydrogen 2.966 N/A ARG 598.A N GLY 596.A O no hydrogen 2.374 N/A GLU 599.A N MET 597.A O no hydrogen 2.261 N/A SER 602.A OG SER 602.A O no hydrogen 2.584 N/A TRP 606.A NE1 LEU 450.A O no hydrogen 2.787 N/A LEU 607.A N ILE 603.A O no hydrogen 2.613 N/A GLU 608.A N ASP 604.A O no hydrogen 3.072 N/A LEU 609.A N TRP 606.A O no hydrogen 3.088 N/A LEU 610.A N LEU 607.A O no hydrogen 2.672 N/A ARG 611.A N LEU 607.A O no hydrogen 3.249 N/A HIS 612.A N LEU 610.A O no hydrogen 2.424 N/A LEU 613.A N LEU 609.A O no hydrogen 2.978 N/A