Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N TYR 388.A O no hydrogen 2.664 N/A ASP 5.A N ASP 3.A OD2 no hydrogen 2.711 N/A LEU 6.A N ASP 3.A O no hydrogen 3.415 N/A PHE 7.A N LEU 4.A O no hydrogen 3.129 N/A ARG 8.A NE ASP 39.A OD1 no hydrogen 3.134 N/A ARG 8.A NE ASP 39.A OD2 no hydrogen 2.438 N/A ARG 8.A NH2 ASP 39.A OD1 no hydrogen 2.548 N/A ASP 10.A N ASP 10.A OD1 no hydrogen 2.417 N/A LYS 11.A N ARG 8.A O no hydrogen 3.237 N/A LEU 17.A N ASP 14.A OD1 no hydrogen 2.861 N/A ARG 19.A N PRO 15.A O no hydrogen 2.908 N/A ARG 19.A NE ASP 33.A OD2 no hydrogen 3.282 N/A GLU 20.A N ALA 16.A O no hydrogen 3.064 N/A THR 21.A N LEU 17.A O no hydrogen 3.028 N/A THR 21.A OG1 LEU 17.A O no hydrogen 3.190 N/A THR 21.A OG1 ILE 18.A O no hydrogen 2.663 N/A GLN 22.A N ILE 18.A O no hydrogen 2.920 N/A GLU 23.A N ARG 19.A O no hydrogen 2.965 N/A LYS 24.A N GLU 20.A O no hydrogen 2.854 N/A LYS 24.A NZ GLU 20.A OE1 no hydrogen 3.483 N/A ARG 25.A N THR 21.A O no hydrogen 2.959 N/A ARG 25.A NE ASN 124.A O no hydrogen 2.731 N/A ARG 25.A NH1 ASN 357.A O no hydrogen 2.563 N/A ARG 25.A NH2 ASN 124.A O no hydrogen 2.920 N/A ARG 25.A NH2 ASN 357.A O no hydrogen 3.522 N/A ARG 25.A NH2 ALA 360.A O no hydrogen 2.529 N/A PHE 26.A N GLU 23.A O no hydrogen 2.959 N/A LYS 27.A N GLN 22.A O no hydrogen 3.132 N/A LYS 27.A NZ ARG 25.A O no hydrogen 3.302 N/A LYS 27.A NZ GLY 354.A O no hydrogen 3.563 N/A LYS 27.A NZ LEU 356.A O no hydrogen 3.010 N/A GLN 34.A N GLY 30.A O no hydrogen 2.881 N/A LEU 35.A N LEU 31.A O no hydrogen 2.934 N/A VAL 36.A N VAL 32.A O no hydrogen 2.847 N/A LYS 37.A N ASP 33.A O no hydrogen 2.936 N/A ALA 38.A N GLN 34.A O no hydrogen 2.936 N/A ASP 39.A N LEU 35.A O no hydrogen 2.832 N/A SER 40.A N VAL 36.A O no hydrogen 2.932 N/A SER 40.A OG VAL 36.A O no hydrogen 2.587 N/A SER 40.A OG LYS 37.A O no hydrogen 3.084 N/A GLU 41.A N LYS 37.A O no hydrogen 2.890 N/A TRP 42.A N ALA 38.A O no hydrogen 2.859 N/A ARG 43.A N SER 40.A O no hydrogen 3.237 N/A ARG 44.A N SER 40.A O no hydrogen 3.006 N/A CYS 45.A N GLU 41.A O no hydrogen 3.043 N/A CYS 45.A SG CYS 104.A O no hydrogen 3.275 N/A PHE 47.A N ARG 43.A O no hydrogen 3.069 N/A ARG 48.A N ARG 44.A O no hydrogen 2.817 N/A ALA 49.A N CYS 45.A O no hydrogen 2.907 N/A ASP 50.A N ARG 46.A O no hydrogen 2.909 N/A ASN 51.A N PHE 47.A O no hydrogen 3.009 N/A LEU 52.A N ARG 48.A O no hydrogen 2.811 N/A ASN 53.A N ALA 49.A O no hydrogen 2.924 N/A LYS 54.A N ASP 50.A O no hydrogen 2.915 N/A LEU 55.A N ASN 51.A O no hydrogen 2.899 N/A LYS 56.A N LEU 52.A O no hydrogen 2.914 N/A ASN 57.A N ASN 53.A O no hydrogen 3.032 N/A LEU 58.A N LYS 54.A O no hydrogen 3.059 N/A CYS 59.A N LEU 55.A O no hydrogen 2.953 N/A CYS 59.A SG LEU 55.A O no hydrogen 3.304 N/A SER 60.A OG LYS 56.A O no hydrogen 3.429 N/A SER 60.A OG ASN 57.A O no hydrogen 3.164 N/A LYS 61.A N ASN 57.A O no hydrogen 3.285 N/A THR 62.A N LEU 58.A O no hydrogen 3.309 N/A ILE 63.A N CYS 59.A O no hydrogen 2.895 N/A GLY 64.A N SER 60.A O no hydrogen 2.696 N/A GLU 65.A N LYS 61.A O no hydrogen 3.144 N/A LYS 66.A N THR 62.A O no hydrogen 3.143 N/A LYS 68.A N GLU 65.A O no hydrogen 3.332 N/A LYS 69.A N LYS 66.A O no hydrogen 3.214 N/A LYS 70.A N LYS 66.A O no hydrogen 3.420 N/A ILE 90.A N LYS 86.A O no hydrogen 2.862 N/A LYS 91.A N VAL 87.A O no hydrogen 3.076 N/A VAL 93.A N ILE 90.A O no hydrogen 3.132 N/A ILE 97.A N VAL 93.A O no hydrogen 2.991 N/A ASP 98.A N ARG 94.A O no hydrogen 2.881 N/A GLU 99.A N LEU 95.A O no hydrogen 3.086 N/A ALA 100.A N LEU 96.A O no hydrogen 3.016 N/A ILE 101.A N ILE 97.A O no hydrogen 2.832 N/A LEU 102.A N ASP 98.A O no hydrogen 3.012 N/A LYS 103.A N GLU 99.A O no hydrogen 3.122 N/A CYS 104.A SG CYS 45.A O no hydrogen 3.201 N/A ASP 105.A N ILE 101.A O no hydrogen 2.784 N/A ALA 106.A N LEU 102.A O no hydrogen 2.961 N/A GLU 107.A N LYS 103.A O no hydrogen 3.052 N/A ARG 108.A N CYS 104.A O no hydrogen 2.793 N/A ILE 109.A N ASP 105.A O no hydrogen 2.879 N/A LYS 110.A N ALA 106.A O no hydrogen 2.954 N/A LEU 111.A N GLU 107.A O no hydrogen 3.141 N/A GLU 112.A N ARG 108.A O no hydrogen 2.930 N/A GLU 114.A N LYS 110.A O no hydrogen 3.022 N/A ARG 115.A N LEU 111.A O no hydrogen 2.843 N/A PHE 116.A N GLU 112.A O no hydrogen 3.053 N/A GLU 117.A N ALA 113.A O no hydrogen 2.938 N/A ASN 118.A ND2 GLN 34.A OE1 no hydrogen 3.550 N/A LEU 119.A N ARG 115.A O no hydrogen 2.995 N/A ARG 120.A N PHE 116.A O no hydrogen 3.048 N/A GLU 121.A N ASN 118.A O no hydrogen 2.995 N/A ILE 122.A N LEU 119.A O no hydrogen 3.330 N/A ASN 124.A N HIS 358.A O no hydrogen 2.608 N/A ASN 124.A ND2 ALA 359.A O no hydrogen 2.835 N/A ASN 124.A ND2 THR 386.A OG1 no hydrogen 2.423 N/A LEU 125.A N ASN 124.A OD1 no hydrogen 2.730 N/A HIS 127.A N SER 361.A O no hydrogen 3.336 N/A HIS 127.A ND1 SER 129.A OG no hydrogen 2.598 N/A SER 129.A N HIS 127.A ND1 no hydrogen 3.391 N/A SER 129.A OG HIS 127.A ND1 no hydrogen 2.598 N/A VAL 130.A N HIS 127.A O no hydrogen 2.771 N/A ASP 139.A N ASP 135.A O no hydrogen 3.202 N/A THR 143.A N ILE 348.A O no hydrogen 3.009 N/A SER 144.A OG THR 143.A O no hydrogen 2.314 N/A TRP 146.A N TYR 346.A O no hydrogen 3.368 N/A THR 150.A N ASP 148.A O no hydrogen 2.711 N/A ARG 152.A NE PRO 371.A O no hydrogen 2.721 N/A ARG 152.A NH1 PRO 371.A O no hydrogen 3.507 N/A ARG 152.A NH1 GLY 372.A O no hydrogen 2.724 N/A LYS 153.A N PRO 371.A O no hydrogen 3.371 N/A VAL 158.A N SER 156.A OG no hydrogen 3.203 N/A ASP 159.A N SER 156.A O no hydrogen 3.147 N/A LEU 160.A N SER 156.A O no hydrogen 3.209 N/A VAL 162.A N ASP 159.A O no hydrogen 2.999 N/A MET 163.A N ASP 159.A O no hydrogen 3.079 N/A VAL 164.A N LEU 160.A O no hydrogen 2.950 N/A ASP 165.A N VAL 162.A O no hydrogen 2.824 N/A GLY 166.A N VAL 161.A O no hydrogen 3.303 N/A GLY 172.A N GLU 168.A O no hydrogen 3.394 N/A ALA 173.A N GLY 169.A O no hydrogen 2.918 N/A VAL 175.A N LYS 171.A O no hydrogen 3.011 N/A ALA 176.A N GLY 172.A O no hydrogen 2.943 N/A SER 178.A N ALA 173.A O no hydrogen 3.415 N/A SER 178.A OG GLY 177.A O no hydrogen 2.433 N/A ARG 179.A NE ARG 304.A O no hydrogen 2.780 N/A TYR 181.A OH GLN 307.A O no hydrogen 2.826 N/A LYS 184.A N GLY 166.A O no hydrogen 3.378 N/A VAL 188.A N GLY 185.A O no hydrogen 2.949 N/A LEU 190.A N VAL 186.A O no hydrogen 3.000 N/A GLU 191.A N LEU 187.A O no hydrogen 3.110 N/A GLN 192.A N VAL 188.A O no hydrogen 2.741 N/A ALA 193.A N PHE 189.A O no hydrogen 2.565 N/A LEU 194.A N LEU 190.A O no hydrogen 2.829 N/A ILE 195.A N GLU 191.A O no hydrogen 2.992 N/A GLN 196.A N GLN 192.A O no hydrogen 3.112 N/A TYR 197.A N ALA 193.A O no hydrogen 2.860 N/A TYR 197.A OH SER 341.A OG no hydrogen 3.311 N/A ALA 198.A N LEU 194.A O no hydrogen 2.716 N/A LEU 199.A N ILE 195.A O no hydrogen 3.022 N/A ARG 200.A N GLN 196.A O no hydrogen 3.209 N/A THR 201.A N TYR 197.A O no hydrogen 2.690 N/A THR 201.A OG1 TYR 197.A O no hydrogen 2.577 N/A LEU 202.A N ALA 198.A O no hydrogen 3.079 N/A GLY 203.A N LEU 199.A O no hydrogen 2.683 N/A SER 204.A N ARG 200.A O no hydrogen 2.888 N/A SER 204.A OG ARG 200.A O no hydrogen 3.394 N/A SER 204.A OG THR 201.A O no hydrogen 2.316 N/A ARG 205.A N THR 201.A O no hydrogen 2.977 N/A GLY 206.A N LEU 202.A O no hydrogen 2.842 N/A TYR 207.A N LEU 202.A O no hydrogen 2.786 N/A ILE 210.A N ALA 282.A O no hydrogen 3.026 N/A THR 212.A N LEU 284.A O no hydrogen 3.415 N/A MET 216.A N TYR 254.A O no hydrogen 3.304 N/A ARG 217.A NH2 GLU 219.A OE1 no hydrogen 3.315 N/A LYS 218.A NZ GLN 222.A OE1 no hydrogen 2.514 N/A GLN 222.A N LYS 218.A O no hydrogen 3.206 N/A VAL 224.A N VAL 220.A O no hydrogen 3.154 N/A LEU 227.A N GLU 121.A OE1 no hydrogen 3.360 N/A GLN 229.A NE2 GLU 233.A OE1 no hydrogen 3.080 N/A ASP 231.A N LEU 227.A O no hydrogen 2.960 N/A GLU 232.A N SER 228.A O no hydrogen 2.923 N/A LEU 234.A N GLN 229.A O no hydrogen 3.019 N/A LYS 236.A NZ GLU 252.A OE2 no hydrogen 3.403 N/A VAL 237.A N LYS 253.A O no hydrogen 2.571 N/A GLY 239.A N ASP 251.A O no hydrogen 3.412 N/A SER 249.A OG ASP 247.A OD1 no hydrogen 3.264 N/A ASP 251.A N GLY 239.A O no hydrogen 3.083 N/A LYS 253.A N VAL 237.A O no hydrogen 2.712 N/A LEU 255.A N TYR 235.A O no hydrogen 2.701 N/A ILE 256.A N PHE 214.A O no hydrogen 2.786 N/A SER 259.A OG GLY 283.A O no hydrogen 3.277 N/A SER 259.A OG SER 285.A OG no hydrogen 2.284 N/A ILE 263.A N SER 259.A O no hydrogen 3.101 N/A ALA 264.A N GLU 260.A O no hydrogen 2.937 N/A ALA 265.A N GLN 261.A O no hydrogen 3.050 N/A LEU 266.A N ILE 263.A O no hydrogen 3.295 N/A HIS 267.A ND1 GLU 270.A OE2 no hydrogen 3.229 N/A HIS 267.A NE2 TYR 281.A OH no hydrogen 2.570 N/A ARG 268.A NH1 GLU 223.A OE1 no hydrogen 3.317 N/A ASP 269.A N LEU 393.A O no hydrogen 2.896 N/A LEU 272.A N ARG 396.A O no hydrogen 3.234 N/A ASP 276.A N ARG 273.A O no hydrogen 3.379 N/A LEU 277.A N PRO 274.A O no hydrogen 3.521 N/A ILE 279.A N LEU 277.A O no hydrogen 2.526 N/A ILE 279.A N TYR 316.A O no hydrogen 3.083 N/A LYS 280.A NZ ARG 205.A O no hydrogen 3.455 N/A TYR 281.A OH HIS 267.A NE2 no hydrogen 2.570 N/A ALA 282.A N ILE 208.A O no hydrogen 2.825 N/A GLY 283.A N GLU 312.A O no hydrogen 2.838 N/A LEU 284.A N ILE 210.A O no hydrogen 3.025 N/A SER 285.A OG SER 259.A OG no hydrogen 2.284 N/A THR 286.A OG1 GLU 309.A OE2 no hydrogen 3.021 N/A CYS 287.A N PHE 308.A O no hydrogen 2.510 N/A CYS 287.A SG SER 285.A O no hydrogen 3.617 N/A CYS 287.A SG SER 285.A OG no hydrogen 3.695 N/A PHE 288.A N ILE 256.A O no hydrogen 2.771 N/A ARG 289.A N HIS 306.A O no hydrogen 2.919 N/A ARG 289.A NE ALA 257.A O no hydrogen 3.305 N/A GLN 290.A N GLU 233.A O no hydrogen 2.600 N/A GLN 290.A NE2 LEU 234.A O no hydrogen 2.762 N/A SER 294.A OG GLU 291.A O no hydrogen 3.285 N/A PHE 308.A N CYS 287.A O no hydrogen 3.241 N/A LYS 310.A N SER 285.A O no hydrogen 2.987 N/A LYS 310.A NZ GLU 312.A OE2 no hydrogen 2.660 N/A ILE 311.A N CYS 412.A O no hydrogen 3.014 N/A GLU 312.A N GLY 283.A O no hydrogen 2.759 N/A GLN 313.A N ALA 409.A O no hydrogen 2.698 N/A GLN 313.A NE2 MET 331.A O no hydrogen 3.640 N/A PHE 314.A N TYR 281.A O no hydrogen 2.906 N/A TYR 316.A N ILE 279.A O no hydrogen 2.945 N/A TYR 316.A OH ILE 263.A O no hydrogen 2.529 N/A TYR 316.A OH ALA 264.A O no hydrogen 3.136 N/A SER 317.A N HIS 405.A O no hydrogen 3.241 N/A SER 317.A OG HIS 405.A O no hydrogen 3.253 N/A GLU 326.A N ASN 322.A O no hydrogen 2.858 N/A MET 327.A N LYS 323.A O no hydrogen 3.000 N/A PHE 328.A N SER 324.A O no hydrogen 2.895 N/A GLU 329.A N TRP 325.A O no hydrogen 2.856 N/A GLU 330.A N GLU 326.A O no hydrogen 2.897 N/A MET 331.A N MET 327.A O no hydrogen 2.840 N/A MET 331.A N PHE 328.A O no hydrogen 3.225 N/A ILE 332.A N PHE 328.A O no hydrogen 3.100 N/A THR 333.A N GLU 329.A O no hydrogen 2.937 N/A THR 333.A OG1 GLU 329.A O no hydrogen 2.325 N/A THR 334.A N GLU 330.A O no hydrogen 3.036 N/A THR 334.A OG1 GLU 330.A O no hydrogen 2.484 N/A ALA 335.A N MET 331.A O no hydrogen 3.032 N/A GLU 336.A N ILE 332.A O no hydrogen 2.854 N/A GLU 337.A N THR 333.A O no hydrogen 2.826 N/A PHE 338.A N THR 334.A O no hydrogen 2.939 N/A TYR 339.A N ALA 335.A O no hydrogen 2.995 N/A TYR 339.A OH MET 411.A O no hydrogen 2.965 N/A GLN 340.A N GLU 336.A O no hydrogen 2.924 N/A SER 341.A N GLU 337.A O no hydrogen 2.998 N/A SER 341.A OG TYR 197.A OH no hydrogen 3.311 N/A SER 341.A OG GLU 337.A O no hydrogen 3.114 N/A SER 341.A OG PHE 338.A O no hydrogen 2.386 N/A LEU 342.A N PHE 338.A O no hydrogen 2.949 N/A GLY 343.A N TYR 339.A O no hydrogen 3.297 N/A GLY 343.A N GLN 340.A O no hydrogen 2.554 N/A ILE 344.A N TYR 339.A O no hydrogen 3.282 N/A HIS 347.A N GLU 367.A O no hydrogen 2.924 N/A ILE 348.A N SER 144.A O no hydrogen 3.048 N/A VAL 349.A N ASP 365.A O no hydrogen 2.934 N/A ASN 350.A N LYS 141.A O no hydrogen 3.325 N/A ILE 351.A N LYS 363.A O no hydrogen 3.263 N/A SER 353.A N PRO 131.A O no hydrogen 3.160 N/A SER 353.A OG LYS 24.A O no hydrogen 2.417 N/A GLY 354.A N SER 133.A O no hydrogen 2.880 N/A SER 355.A N VAL 352.A O no hydrogen 3.132 N/A LEU 356.A N SER 353.A O no hydrogen 3.134 N/A ASN 357.A ND2 GLN 226.A OE1 no hydrogen 3.533 N/A SER 361.A N ASN 384.A O no hydrogen 2.729 N/A SER 361.A OG LEU 125.A O no hydrogen 2.510 N/A LYS 362.A NZ SER 129.A OG no hydrogen 3.048 N/A ASP 365.A N VAL 349.A O no hydrogen 2.992 N/A LEU 366.A N VAL 380.A O no hydrogen 3.056 N/A GLU 367.A N HIS 347.A O no hydrogen 3.108 N/A ALA 368.A N ARG 377.A O no hydrogen 3.132 N/A TRP 369.A N PRO 345.A O no hydrogen 3.143 N/A TRP 369.A NE1 VAL 151.A O no hydrogen 2.783 N/A PHE 370.A N ALA 375.A O no hydrogen 2.648 N/A SER 373.A N GLU 423.A OE1 no hydrogen 2.877 N/A SER 373.A OG GLU 423.A OE1 no hydrogen 3.509 N/A SER 373.A OG GLU 423.A OE2 no hydrogen 2.425 N/A GLY 374.A N PHE 370.A O no hydrogen 2.537 N/A ALA 375.A N PHE 370.A O no hydrogen 3.136 N/A ARG 377.A N ALA 368.A O no hydrogen 2.950 N/A LEU 379.A N LEU 366.A O no hydrogen 2.730 N/A VAL 380.A N LEU 366.A O no hydrogen 3.182 N/A SER 381.A OG GLU 378.A OE2 no hydrogen 3.467 N/A CYS 382.A N LEU 364.A O no hydrogen 3.057 N/A SER 383.A N ASN 408.A O no hydrogen 2.638 N/A ASN 384.A N LYS 362.A O no hydrogen 3.260 N/A CYS 385.A N MET 406.A O no hydrogen 2.823 N/A CYS 385.A SG ASN 408.A OD1 no hydrogen 3.451 N/A THR 386.A N ASN 384.A OD1 no hydrogen 3.045 N/A THR 386.A OG1 CYS 385.A O no hydrogen 2.552 N/A THR 386.A OG1 ASP 387.A OD2 no hydrogen 3.440 N/A TYR 388.A N CYS 385.A O no hydrogen 3.338 N/A TYR 388.A OH ILE 122.A O no hydrogen 2.803 N/A GLN 389.A NE2 GLU 260.A OE1 no hydrogen 3.487 N/A ARG 391.A N ASP 387.A O no hydrogen 2.738 N/A ARG 391.A NH1 VAL 1.A O no hydrogen 2.446 N/A LEU 393.A N GLN 389.A O no hydrogen 2.710 N/A ILE 395.A N ALA 390.A O no hydrogen 2.914 N/A ARG 396.A N GLU 270.A O no hydrogen 2.992 N/A HIS 405.A N SER 317.A O no hydrogen 3.333 N/A MET 406.A N THR 386.A O no hydrogen 2.862 N/A LEU 407.A N VAL 315.A O no hydrogen 3.384 N/A ASN 408.A N SER 383.A O no hydrogen 2.923 N/A ALA 409.A N GLN 313.A O no hydrogen 2.943 N/A THR 410.A OG1 ILE 311.A O no hydrogen 3.529 N/A MET 411.A N ILE 311.A O no hydrogen 2.804 N/A CYS 412.A N ILE 311.A O no hydrogen 3.253 N/A CYS 412.A SG THR 417.A OG1 no hydrogen 3.405 N/A THR 414.A N GLU 309.A O no hydrogen 3.081 N/A THR 414.A OG1 GLU 309.A O no hydrogen 2.662 N/A ARG 416.A NE PHE 303.A O no hydrogen 3.044 N/A THR 417.A N ALA 413.A O no hydrogen 2.965 N/A THR 417.A OG1 ALA 413.A O no hydrogen 2.412 N/A CYS 419.A N THR 415.A O no hydrogen 3.320 N/A CYS 419.A SG HIS 157.A ND1 no hydrogen 3.421 N/A CYS 419.A SG THR 415.A O no hydrogen 3.441 N/A ALA 420.A N ARG 416.A O no hydrogen 2.879 N/A ILE 421.A N THR 417.A O no hydrogen 2.918 N/A LEU 422.A N ILE 418.A O no hydrogen 2.970 N/A GLU 423.A N CYS 419.A O no hydrogen 3.191 N/A ASN 424.A N ALA 420.A O no hydrogen 3.210 N/A ASN 424.A ND2 TRP 369.A O no hydrogen 3.380 N/A ASN 424.A ND2 ALA 420.A O no hydrogen 2.437 N/A GLN 426.A NE2 GLU 423.A O no hydrogen 3.114 N/A THR 427.A N GLY 430.A O no hydrogen 2.611 N/A THR 427.A OG1 GLY 430.A O no hydrogen 2.326 N/A GLY 430.A N THR 427.A OG1 no hydrogen 3.212 N/A ILE 431.A N ILE 449.A O no hydrogen 2.885 N/A THR 432.A N TYR 425.A O no hydrogen 2.601 N/A THR 432.A OG1 TYR 425.A O no hydrogen 3.535 N/A LYS 438.A N PRO 434.A O no hydrogen 3.038 N/A PHE 440.A N LEU 437.A O no hydrogen 3.161 N/A LEU 445.A N PRO 442.A O no hydrogen 3.040 N/A GLN 446.A N PRO 442.A O no hydrogen 3.118 N/A GLN 446.A NE2 MET 441.A O no hydrogen 2.509 N/A ILE 449.A N ILE 431.A O no hydrogen 2.891 N/A PHE 451.A N LYS 429.A O no hydrogen 2.946 N/A VAL 452.A N MET 163.A O no hydrogen 3.114 N/A LYS 453.A NZ ASP 165.A OD2 no hydrogen 3.484 N/A