Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 8.A OG1 ASP 122.A OD1 no hydrogen 3.276 N/A LYS 12.A N GLN 86.A OE1 no hydrogen 3.088 N/A LYS 14.A NZ LYS 83.A O no hydrogen 3.220 N/A GLY 19.A N ASP 18.A OD1 no hydrogen 2.606 N/A LYS 33.A NZ SER 135.A OG no hydrogen 2.693 N/A GLU 37.A N ALA 34.A O no hydrogen 3.318 N/A ILE 38.A N ALA 34.A O no hydrogen 3.134 N/A CYS 39.A N LEU 35.A O no hydrogen 2.930 N/A THR 40.A N GLU 37.A O no hydrogen 2.672 N/A THR 40.A OG1 VAL 36.A O no hydrogen 3.543 N/A THR 40.A OG1 GLU 37.A O no hydrogen 3.081 N/A GLU 41.A N ILE 38.A O no hydrogen 2.899 N/A MET 42.A N ILE 38.A O no hydrogen 3.254 N/A GLU 43.A N CYS 39.A O no hydrogen 3.385 N/A LYS 44.A N GLU 41.A O no hydrogen 3.273 N/A GLU 45.A N MET 42.A O no hydrogen 3.147 N/A GLY 46.A N MET 42.A O no hydrogen 3.134 N/A LYS 47.A N MET 42.A O no hydrogen 3.049 N/A SER 49.A N GLN 146.A O no hydrogen 3.010 N/A SER 49.A OG ILE 48.A O no hydrogen 2.718 N/A LYS 50.A NZ ARG 144.A O no hydrogen 3.561 N/A ASN 55.A ND2 TYR 57.A O no hydrogen 3.666 N/A ASN 58.A N PRO 20.A O no hydrogen 3.237 N/A THR 59.A OG1 ASP 77.A O no hydrogen 3.223 N/A LYS 66.A NZ SER 69.A OG no hydrogen 3.238 N/A ARG 79.A N ASP 77.A OD2 no hydrogen 3.364 N/A ARG 79.A NE ASP 77.A OD1 no hydrogen 3.482 N/A ASN 82.A N PHE 78.A O no hydrogen 2.753 N/A ASN 82.A ND2 GLY 153.A O no hydrogen 3.214 N/A LYS 83.A N ARG 79.A O no hydrogen 3.230 N/A LYS 83.A NZ GLU 80.A OE1 no hydrogen 2.704 N/A LYS 83.A NZ GLU 80.A OE2 no hydrogen 2.832 N/A ARG 84.A N LEU 81.A O no hydrogen 3.074 N/A ARG 84.A NH1 GLU 80.A O no hydrogen 2.989 N/A ARG 84.A NH1 GLU 80.A OE1 no hydrogen 3.033 N/A THR 85.A N ASN 82.A O no hydrogen 2.587 N/A THR 85.A OG1 LEU 81.A O no hydrogen 2.383 N/A THR 85.A OG1 ASN 82.A O no hydrogen 2.890 N/A GLN 86.A NE2 ASP 87.A O no hydrogen 2.683 N/A HIS 97.A NE2 GLN 270.A OE1 no hydrogen 2.719 N/A ALA 99.A N HIS 97.A ND1 no hydrogen 3.143 N/A GLY 100.A N HIS 97.A O no hydrogen 2.816 N/A LEU 101.A N PRO 98.A O no hydrogen 3.119 N/A LYS 105.A N ASP 193.A OD1 no hydrogen 2.991 N/A SER 106.A N SER 192.A O no hydrogen 2.775 N/A SER 106.A OG SER 192.A O no hydrogen 3.507 N/A THR 108.A N VAL 190.A O no hydrogen 2.843 N/A THR 108.A OG1 HIS 199.A NE2 no hydrogen 3.069 N/A LEU 110.A N LEU 188.A O no hydrogen 3.020 N/A VAL 112.A N ASP 186.A O no hydrogen 3.019 N/A GLY 113.A N THR 216.A O no hydrogen 3.043 N/A SER 118.A N ALA 115.A O no hydrogen 3.383 N/A SER 118.A OG ASP 114.A O no hydrogen 2.471 N/A LEU 121.A N ASN 148.A O no hydrogen 3.227 N/A ASP 124.A N ASP 124.A OD1 no hydrogen 2.292 N/A PHE 125.A N ASP 122.A O no hydrogen 3.257 N/A ARG 126.A N GLU 123.A O no hydrogen 2.987 N/A ARG 126.A NE ASN 148.A O no hydrogen 3.238 N/A ARG 126.A NH1 GLU 123.A OE2 no hydrogen 3.186 N/A ARG 126.A NH2 ASN 148.A O no hydrogen 2.572 N/A LYS 127.A NZ TYR 57.A OH no hydrogen 2.753 N/A TYR 128.A N PHE 125.A O no hydrogen 3.017 N/A THR 129.A N ARG 126.A O no hydrogen 3.176 N/A THR 129.A OG1 ARG 126.A O no hydrogen 2.536 N/A ASN 138.A ND2 THR 140.A O no hydrogen 3.676 N/A GLN 146.A N SER 49.A O no hydrogen 2.865 N/A TYR 147.A N THR 129.A OG1 no hydrogen 2.547 N/A ASN 148.A N LYS 47.A O no hydrogen 3.450 N/A ASN 148.A ND2 GLY 46.A O no hydrogen 3.172 N/A ASN 148.A ND2 SER 49.A OG no hydrogen 3.044 N/A LEU 150.A N VAL 119.A O no hydrogen 3.241 N/A TRP 154.A N PRO 151.A O no hydrogen 3.275 N/A LYS 155.A N ASN 82.A OD1 no hydrogen 3.080 N/A LYS 155.A NZ THR 85.A O no hydrogen 2.907 N/A LYS 155.A NZ GLN 86.A O no hydrogen 2.879 N/A LYS 155.A NZ ASP 87.A OD1 no hydrogen 2.225 N/A SER 157.A N TRP 154.A O no hydrogen 3.339 N/A SER 157.A OG PRO 151.A O no hydrogen 2.824 N/A SER 157.A OG TRP 154.A O no hydrogen 3.356 N/A ILE 160.A N GLY 156.A O no hydrogen 2.804 N/A PHE 161.A N SER 157.A O no hydrogen 2.780 N/A GLN 162.A N PRO 158.A O no hydrogen 2.872 N/A GLN 162.A NE2 GLN 183.A O no hydrogen 3.400 N/A SER 163.A N ALA 159.A O no hydrogen 3.095 N/A SER 163.A OG ALA 159.A O no hydrogen 3.045 N/A SER 163.A OG ILE 160.A O no hydrogen 2.957 N/A SER 164.A N ILE 160.A O no hydrogen 3.039 N/A SER 164.A OG ILE 160.A O no hydrogen 2.518 N/A SER 164.A OG PHE 161.A O no hydrogen 2.390 N/A MET 165.A N PHE 161.A O no hydrogen 2.800 N/A THR 166.A N GLN 162.A O no hydrogen 3.211 N/A THR 166.A OG1 GLN 162.A O no hydrogen 2.490 N/A THR 166.A OG1 GLN 183.A OE1 no hydrogen 3.429 N/A LYS 167.A N SER 163.A O no hydrogen 3.187 N/A ILE 168.A N SER 164.A O no hydrogen 3.108 N/A LEU 169.A N MET 165.A O no hydrogen 3.209 N/A GLU 170.A N THR 166.A O no hydrogen 3.180 N/A LYS 173.A N LEU 169.A O no hydrogen 3.118 N/A LYS 173.A NZ ILE 181.A O no hydrogen 3.340 N/A LYS 174.A N GLU 170.A O no hydrogen 3.297 N/A GLN 175.A N PRO 171.A O no hydrogen 3.414 N/A ASN 176.A N LYS 173.A O no hydrogen 2.735 N/A ASN 176.A ND2 PHE 172.A O no hydrogen 2.834 N/A ILE 179.A N ASN 176.A O no hydrogen 2.865 N/A VAL 180.A N GLY 191.A O no hydrogen 2.960 N/A TYR 182.A N TYR 189.A O no hydrogen 3.106 N/A GLN 183.A NE2 THR 166.A OG1 no hydrogen 3.143 N/A TYR 184.A N ASP 187.A O no hydrogen 3.186 N/A ASP 187.A N TYR 184.A O no hydrogen 2.967 N/A LEU 188.A N LEU 110.A O no hydrogen 2.884 N/A TYR 189.A N TYR 182.A O no hydrogen 3.093 N/A VAL 190.A N THR 108.A O no hydrogen 2.792 N/A GLY 191.A N VAL 180.A O no hydrogen 2.876 N/A SER 192.A N SER 106.A O no hydrogen 3.051 N/A SER 192.A OG HIS 199.A ND1 no hydrogen 3.040 N/A LEU 194.A N SER 192.A OG no hydrogen 3.370 N/A GLY 197.A N GLU 195.A OE1 no hydrogen 2.837 N/A GLN 198.A N GLU 195.A OE2 no hydrogen 2.971 N/A HIS 199.A N GLU 195.A O no hydrogen 3.054 N/A HIS 199.A ND1 SER 192.A OG no hydrogen 3.040 N/A HIS 199.A NE2 THR 108.A OG1 no hydrogen 3.069 N/A ARG 200.A NE GLN 223.A OE1 no hydrogen 2.625 N/A THR 201.A N GLY 197.A O no hydrogen 3.025 N/A LYS 202.A N GLN 198.A O no hydrogen 3.441 N/A LYS 202.A NZ ASN 176.A OD1 no hydrogen 2.316 N/A ILE 203.A N HIS 199.A O no hydrogen 3.040 N/A GLU 204.A N ARG 200.A O no hydrogen 3.364 N/A GLU 205.A N THR 201.A O no hydrogen 2.879 N/A LEU 206.A N LYS 202.A O no hydrogen 2.780 N/A ARG 207.A N ILE 203.A O no hydrogen 3.091 N/A ARG 207.A NE THR 217.A OG1 no hydrogen 3.165 N/A ARG 207.A NH1 ASP 219.A OD2 no hydrogen 2.745 N/A GLN 208.A N GLU 204.A O no hydrogen 2.896 N/A LEU 210.A N LEU 206.A O no hydrogen 2.806 N/A LEU 211.A N ARG 207.A O no hydrogen 3.152 N/A ARG 212.A N GLN 208.A O no hydrogen 2.873 N/A TRP 213.A N LEU 210.A O no hydrogen 3.149 N/A GLY 214.A N LEU 211.A O no hydrogen 2.254 N/A LEU 215.A N LEU 210.A O no hydrogen 2.818 N/A THR 216.A OG1 GLY 113.A O no hydrogen 3.039 N/A PHE 228.A N LEU 235.A O no hydrogen 3.355 N/A TRP 230.A N TYR 233.A O no hydrogen 3.330 N/A TYR 233.A N TRP 230.A O no hydrogen 3.346 N/A TYR 233.A OH GLN 270.A OE1 no hydrogen 2.718 N/A GLU 234.A N THR 241.A O no hydrogen 2.801 N/A LEU 235.A N PHE 228.A O no hydrogen 3.367 N/A HIS 236.A N LYS 239.A O no hydrogen 3.190 N/A HIS 236.A ND1 LYS 239.A O no hydrogen 3.105 N/A TRP 240.A N GLY 317.A O no hydrogen 2.908 N/A THR 241.A N GLU 234.A O no hydrogen 3.143 N/A THR 241.A OG1 VAL 315.A O no hydrogen 2.478 N/A GLN 243.A N GLY 232.A O no hydrogen 2.430 N/A GLN 243.A NE2 TYR 233.A O no hydrogen 2.923 N/A SER 252.A OG ASP 251.A OD1 no hydrogen 3.490 N/A THR 254.A OG1 GLU 292.A O no hydrogen 2.893 N/A VAL 255.A N GLU 292.A O no hydrogen 3.380 N/A ASP 257.A N THR 254.A O no hydrogen 2.771 N/A ILE 258.A N THR 254.A O no hydrogen 3.369 N/A CYS 259.A N VAL 255.A O no hydrogen 3.196 N/A LYS 260.A N ASN 256.A O no hydrogen 3.131 N/A LEU 261.A N ASP 257.A O no hydrogen 2.733 N/A VAL 262.A N ILE 258.A O no hydrogen 2.675 N/A GLY 263.A N CYS 259.A O no hydrogen 3.163 N/A LYS 264.A N LYS 260.A O no hydrogen 3.348 N/A LYS 264.A N LEU 261.A O no hydrogen 2.850 N/A LYS 264.A NZ VAL 246.A O no hydrogen 2.464 N/A LEU 265.A N LEU 261.A O no hydrogen 3.047 N/A ASN 266.A N VAL 262.A O no hydrogen 2.725 N/A TRP 267.A N GLY 263.A O no hydrogen 2.837 N/A ALA 268.A N LYS 264.A O no hydrogen 2.635 N/A SER 269.A N ASN 266.A O no hydrogen 3.031 N/A SER 269.A OG ASN 266.A O no hydrogen 2.471 N/A GLN 270.A NE2 TRP 267.A O no hydrogen 3.160 N/A ILE 271.A N ALA 268.A O no hydrogen 3.133 N/A TYR 272.A N ALA 268.A O no hydrogen 3.103 N/A LYS 276.A N ASN 307.A OD1 no hydrogen 3.054 N/A LYS 276.A NZ GLU 306.A OE1 no hydrogen 3.325 N/A ARG 278.A N GLN 337.A OE1 no hydrogen 2.909 N/A ARG 278.A NH2 ALA 356.A O no hydrogen 3.234 N/A SER 281.A N VAL 277.A O no hydrogen 2.956 N/A SER 281.A OG VAL 277.A O no hydrogen 2.888 N/A LYS 282.A N GLN 279.A O no hydrogen 3.296 N/A LYS 282.A NZ GLN 279.A OE1 no hydrogen 3.117 N/A LEU 284.A N SER 281.A O no hydrogen 3.288 N/A ARG 285.A N LYS 282.A O no hydrogen 3.165 N/A THR 287.A OG1 LEU 283.A O no hydrogen 3.478 N/A THR 287.A OG1 ARG 285.A O no hydrogen 3.453 N/A LYS 288.A N GLU 292.A OE2 no hydrogen 3.180 N/A ALA 289.A N GLU 292.A OE2 no hydrogen 3.457 N/A GLU 292.A N ALA 289.A O no hydrogen 3.068 N/A ILE 294.A N TRP 253.A O no hydrogen 3.167 N/A THR 297.A OG1 GLU 299.A OE1 no hydrogen 2.319 N/A GLU 301.A N THR 297.A O no hydrogen 3.185 N/A LEU 302.A N GLU 298.A O no hydrogen 2.918 N/A GLU 303.A N GLU 299.A O no hydrogen 2.892 N/A LEU 304.A N ALA 300.A O no hydrogen 2.930 N/A ALA 305.A N GLU 301.A O no hydrogen 2.692 N/A GLU 306.A N LEU 302.A O no hydrogen 3.128 N/A ASN 307.A N GLU 303.A O no hydrogen 2.711 N/A ASN 307.A ND2 LYS 276.A O no hydrogen 2.858 N/A ARG 308.A N LEU 304.A O no hydrogen 2.815 N/A ARG 308.A NH2 PRO 248.A O no hydrogen 3.022 N/A GLU 309.A N ALA 305.A O no hydrogen 3.194 N/A ILE 310.A N ASN 307.A O no hydrogen 3.314 N/A LYS 312.A N ARG 308.A O no hydrogen 3.232 N/A GLY 317.A N TRP 240.A O no hydrogen 2.471 N/A VAL 318.A N ASN 349.A O no hydrogen 2.916 N/A TYR 319.A OH HIS 236.A O no hydrogen 3.107 N/A TYR 320.A N LEU 101.A O no hydrogen 3.012 N/A ASP 321.A N GLN 344.A OE1 no hydrogen 2.869 N/A SER 323.A N ASP 321.A OD1 no hydrogen 2.816 N/A SER 323.A OG ASP 321.A OD1 no hydrogen 2.348 N/A LYS 324.A N ASP 321.A O no hydrogen 2.566 N/A LYS 324.A NZ GLU 345.A OE2 no hydrogen 3.248 N/A ILE 327.A N TYR 343.A O no hydrogen 2.824 N/A ALA 328.A N LYS 389.A O no hydrogen 2.698 N/A GLU 329.A N GLN 341.A O no hydrogen 2.852 N/A ILE 330.A N LYS 391.A O no hydrogen 3.108 N/A GLN 331.A N THR 339.A O no hydrogen 2.728 N/A GLN 333.A N GLN 337.A O no hydrogen 3.056 N/A GLN 333.A NE2 GLY 274.A O no hydrogen 3.527 N/A GLN 337.A N GLY 334.A O no hydrogen 3.171 N/A GLN 337.A NE2 GLY 334.A O no hydrogen 3.351 N/A THR 339.A N GLN 331.A O no hydrogen 2.955 N/A TYR 340.A N GLY 353.A O no hydrogen 3.050 N/A TYR 340.A OH GLU 379.A OE2 no hydrogen 2.683 N/A GLN 341.A N GLU 329.A O no hydrogen 2.870 N/A ILE 342.A N LYS 351.A O no hydrogen 2.985 N/A TYR 343.A N ILE 327.A O no hydrogen 2.909 N/A TYR 343.A OH GLU 329.A OE1 no hydrogen 3.311 N/A GLN 344.A NE2 ASP 321.A O no hydrogen 2.920 N/A GLN 344.A NE2 LYS 324.A O no hydrogen 2.332 N/A GLN 344.A NE2 ASP 325.A O no hydrogen 3.127 N/A LYS 348.A N GLU 345.A O no hydrogen 3.134 N/A LEU 350.A N ILE 342.A O no hydrogen 3.023 N/A LYS 351.A N ILE 342.A O no hydrogen 3.185 N/A LYS 351.A NZ GLU 379.A OE2 no hydrogen 3.237 N/A THR 352.A N GLN 270.A O no hydrogen 2.604 N/A THR 352.A OG1 SER 269.A O no hydrogen 2.266 N/A GLY 353.A N TYR 340.A O no hydrogen 3.220 N/A LYS 354.A NZ ASN 266.A OD1 no hydrogen 3.368 N/A TYR 355.A N TRP 338.A O no hydrogen 2.982 N/A TYR 355.A OH GLU 371.A OE1 no hydrogen 2.613 N/A HIS 362.A ND1 SER 514.A OG no hydrogen 2.538 N/A THR 363.A N LYS 513.A O no hydrogen 3.142 N/A THR 363.A OG1 ASN 364.A O no hydrogen 3.230 N/A ASN 364.A ND2 GLN 510.A O no hydrogen 3.262 N/A ASP 365.A N ASP 512.A OD2 no hydrogen 2.985 N/A LYS 367.A N ASN 364.A OD1 no hydrogen 3.021 N/A LYS 367.A NZ ALA 509.A O no hydrogen 3.223 N/A GLN 368.A N ASN 364.A O no hydrogen 2.937 N/A GLN 368.A NE2 ASN 364.A O no hydrogen 3.608 N/A LEU 369.A N ASP 365.A O no hydrogen 2.754 N/A THR 370.A N VAL 366.A O no hydrogen 2.905 N/A THR 370.A OG1 VAL 366.A O no hydrogen 3.103 N/A GLU 371.A N LYS 367.A O no hydrogen 2.797 N/A ALA 372.A N GLN 368.A O no hydrogen 3.045 N/A VAL 373.A N LEU 369.A O no hydrogen 2.681 N/A GLN 374.A N THR 370.A O no hydrogen 3.036 N/A LYS 375.A N GLU 371.A O no hydrogen 2.802 N/A LYS 375.A NZ GLU 379.A OE1 no hydrogen 3.470 N/A ILE 376.A N ALA 372.A O no hydrogen 2.821 N/A THR 377.A N VAL 373.A O no hydrogen 2.875 N/A THR 377.A OG1 VAL 373.A O no hydrogen 2.885 N/A THR 378.A N GLN 374.A O no hydrogen 3.073 N/A THR 378.A OG1 GLN 374.A O no hydrogen 3.064 N/A GLU 379.A N LYS 375.A O no hydrogen 3.094 N/A SER 380.A N ILE 376.A O no hydrogen 2.743 N/A SER 380.A OG ILE 376.A O no hydrogen 3.186 N/A ILE 381.A N THR 377.A O no hydrogen 2.788 N/A VAL 382.A N THR 378.A O no hydrogen 2.884 N/A ILE 383.A N GLU 379.A O no hydrogen 2.913 N/A TRP 384.A N SER 380.A O no hydrogen 2.931 N/A TRP 384.A NE1 ALA 99.A O no hydrogen 2.745 N/A GLY 385.A N SER 380.A O no hydrogen 3.183 N/A LYS 389.A N LEU 326.A O no hydrogen 2.831 N/A LYS 391.A N ALA 328.A O no hydrogen 2.480 N/A LYS 391.A NZ GLU 416.A OE2 no hydrogen 3.234 N/A LEU 392.A N GLU 416.A O no hydrogen 2.905 N/A ILE 394.A N LEU 392.A O no hydrogen 2.474 N/A LYS 396.A NZ TRP 415.A O no hydrogen 2.315 N/A THR 398.A OG1 VAL 424.A O no hydrogen 3.564 N/A TRP 399.A N GLN 395.A O no hydrogen 3.034 N/A GLU 400.A N LYS 396.A O no hydrogen 3.401 N/A THR 401.A N GLU 397.A O no hydrogen 3.069 N/A THR 401.A OG1 GLU 397.A O no hydrogen 2.875 N/A TRP 402.A N THR 398.A O no hydrogen 3.111 N/A TRP 403.A N TRP 399.A O no hydrogen 3.128 N/A THR 404.A N GLU 400.A O no hydrogen 3.295 N/A THR 404.A OG1 GLU 400.A O no hydrogen 2.284 N/A THR 404.A OG1 GLU 400.A OE2 no hydrogen 3.459 N/A THR 404.A OG1 THR 401.A O no hydrogen 3.384 N/A GLU 405.A N THR 401.A O no hydrogen 3.384 N/A GLU 405.A N TRP 402.A O no hydrogen 2.687 N/A TYR 406.A N TRP 402.A O no hydrogen 2.940 N/A GLU 416.A N PHE 390.A O no hydrogen 2.810 N/A VAL 418.A N LEU 392.A O no hydrogen 3.267 N/A VAL 424.A N PRO 393.A O no hydrogen 2.742 N/A TYR 428.A OH PRO 511.A O no hydrogen 2.654 N/A GLU 431.A N VAL 532.A O no hydrogen 3.072 N/A LYS 432.A NZ GLU 405.A OE2 no hydrogen 3.388 N/A ILE 435.A N ASN 495.A OD1 no hydrogen 2.984 N/A ALA 438.A N ILE 435.A O no hydrogen 3.357 N/A THR 440.A N ASN 461.A OD1 no hydrogen 2.796 N/A PHE 441.A N ASN 495.A O no hydrogen 2.674 N/A TYR 442.A N VAL 459.A O no hydrogen 2.723 N/A VAL 443.A N VAL 497.A O no hydrogen 2.808 N/A ASP 444.A N GLY 457.A O no hydrogen 3.079 N/A GLY 445.A N ASP 444.A OD1 no hydrogen 2.606 N/A ALA 446.A N LYS 455.A O no hydrogen 3.067 N/A ASN 448.A N LEU 453.A O no hydrogen 2.856 N/A THR 451.A N ASN 448.A OD1 no hydrogen 3.170 N/A THR 451.A OG1 ASN 448.A OD1 no hydrogen 2.642 N/A LYS 452.A NZ ARG 449.A O no hydrogen 2.479 N/A GLY 454.A N LEU 470.A O no hydrogen 2.799 N/A LYS 455.A N ALA 446.A O no hydrogen 3.131 N/A LYS 455.A NZ ALA 555.A O no hydrogen 3.321 N/A ALA 456.A N VAL 468.A O no hydrogen 3.110 N/A GLY 457.A N ASP 444.A O no hydrogen 2.942 N/A TYR 458.A N LYS 466.A O no hydrogen 2.888 N/A TYR 458.A OH ASP 489.A OD2 no hydrogen 2.522 N/A VAL 459.A N TYR 442.A O no hydrogen 2.934 N/A THR 460.A N ARG 464.A O no hydrogen 3.025 N/A THR 460.A OG1 GLU 439.A OE2 no hydrogen 2.735 N/A LYS 462.A N THR 460.A OG1 no hydrogen 3.132 N/A GLY 463.A N THR 460.A O no hydrogen 3.149 N/A ARG 464.A NE GLU 439.A OE2 no hydrogen 2.771 N/A LYS 466.A N TYR 458.A O no hydrogen 3.216 N/A LYS 466.A NZ ASP 489.A OD2 no hydrogen 3.268 N/A VAL 468.A N ALA 456.A O no hydrogen 2.949 N/A LEU 470.A N GLY 454.A O no hydrogen 2.471 N/A THR 473.A N LYS 452.A O no hydrogen 2.931 N/A GLN 476.A N GLN 476.A OE1 no hydrogen 3.166 N/A LYS 477.A N THR 474.A OG1 no hydrogen 3.386 N/A THR 478.A N THR 474.A O no hydrogen 3.149 N/A THR 478.A OG1 ASN 475.A O no hydrogen 2.837 N/A GLU 479.A N ASN 475.A O no hydrogen 3.276 N/A LEU 480.A N GLN 476.A O no hydrogen 2.896 N/A GLN 481.A N LYS 477.A O no hydrogen 2.652 N/A ALA 482.A N THR 478.A O no hydrogen 2.994 N/A TYR 484.A N LEU 480.A O no hydrogen 3.106 N/A LEU 485.A N GLN 481.A O no hydrogen 3.072 N/A ALA 486.A N ALA 482.A O no hydrogen 2.939 N/A LEU 487.A N ILE 483.A O no hydrogen 2.855 N/A GLN 488.A N TYR 484.A O no hydrogen 3.141 N/A ASP 489.A N LEU 485.A O no hydrogen 2.888 N/A SER 490.A N LEU 487.A O no hydrogen 3.242 N/A SER 490.A OG ALA 486.A O no hydrogen 2.676 N/A SER 490.A OG LEU 487.A O no hydrogen 2.703 N/A VAL 494.A N LYS 531.A O no hydrogen 2.991 N/A ASN 495.A N GLU 439.A O no hydrogen 2.964 N/A ASN 495.A ND2 ILE 435.A O no hydrogen 3.175 N/A ASN 495.A ND2 ALA 438.A O no hydrogen 3.492 N/A ASN 495.A ND2 GLU 439.A O no hydrogen 3.637 N/A ILE 496.A N TYR 533.A O no hydrogen 2.863 N/A VAL 497.A N PHE 441.A O no hydrogen 2.891 N/A THR 498.A N ALA 535.A O no hydrogen 3.067 N/A ASN 499.A ND2 ASP 444.A OD1 no hydrogen 3.062 N/A SER 500.A N THR 498.A OG1 no hydrogen 2.937 N/A ALA 503.A N SER 500.A OG no hydrogen 2.809 N/A LEU 504.A N SER 500.A O no hydrogen 2.974 N/A GLY 505.A N GLN 501.A O no hydrogen 2.866 N/A ILE 506.A N TYR 502.A O no hydrogen 3.385 N/A ILE 507.A N ALA 503.A O no hydrogen 3.071 N/A GLN 508.A N LEU 504.A O no hydrogen 3.079 N/A ALA 509.A N ILE 506.A O no hydrogen 3.193 N/A GLN 510.A N ILE 507.A O no hydrogen 2.832 N/A ASP 512.A N THR 363.A O no hydrogen 2.841 N/A LYS 513.A N THR 363.A O no hydrogen 3.108 N/A SER 514.A N ASN 520.A OD1 no hydrogen 2.848 N/A SER 514.A OG ALA 361.A O no hydrogen 3.527 N/A SER 514.A OG HIS 362.A ND1 no hydrogen 2.538 N/A GLU 515.A N ALA 361.A O no hydrogen 3.207 N/A SER 516.A N SER 514.A OG no hydrogen 3.105 N/A VAL 519.A N SER 516.A OG no hydrogen 3.163 N/A ASN 520.A N SER 516.A O no hydrogen 3.010 N/A ASN 520.A ND2 SER 514.A O no hydrogen 2.894 N/A ASN 520.A ND2 GLU 517.A OE2 no hydrogen 3.129 N/A GLN 521.A N GLU 517.A O no hydrogen 2.967 N/A GLN 521.A NE2 GLU 517.A O no hydrogen 3.393 N/A ILE 522.A N LEU 518.A O no hydrogen 2.960 N/A ILE 523.A N VAL 519.A O no hydrogen 2.707 N/A GLU 524.A N ASN 520.A O no hydrogen 2.902 N/A GLN 525.A N GLN 521.A O no hydrogen 2.899 N/A LEU 526.A N ILE 522.A O no hydrogen 2.672 N/A ILE 527.A N ILE 523.A O no hydrogen 2.856 N/A LYS 528.A N GLN 525.A O no hydrogen 3.153 N/A LYS 529.A N LEU 526.A O no hydrogen 3.094 N/A LYS 529.A NZ LEU 487.A O no hydrogen 2.984 N/A LYS 529.A NZ SER 490.A O no hydrogen 2.855 N/A LYS 529.A NZ SER 490.A OG no hydrogen 3.195 N/A LYS 529.A NZ GLY 491.A O no hydrogen 3.045 N/A GLU 530.A N LEU 492.A O no hydrogen 2.932 N/A LYS 531.A N LEU 492.A O no hydrogen 2.968 N/A TYR 533.A N VAL 494.A O no hydrogen 3.177 N/A ALA 535.A N ILE 496.A O no hydrogen 2.874 N/A VAL 537.A N THR 498.A O no hydrogen 3.162 N/A ASN 546.A N ILE 543.A O no hydrogen 2.867 N/A GLU 547.A N ILE 543.A O no hydrogen 2.907 N/A VAL 549.A N GLY 545.A O no hydrogen 3.128 N/A ASP 550.A N ASN 546.A O no hydrogen 3.003 N/A LYS 551.A N GLU 547.A O no hydrogen 3.010 N/A LEU 552.A N GLN 548.A O no hydrogen 3.161 N/A VAL 553.A N VAL 549.A O no hydrogen 3.306 N/A SER 554.A N ASP 550.A O no hydrogen 2.951 N/A SER 554.A OG ASP 550.A O no hydrogen 3.392 N/A SER 554.A OG ASP 550.A OD1 no hydrogen 3.559 N/A ALA 555.A N LYS 551.A O no hydrogen 3.314 N/A