Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6lu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N ASN 308.A OD1 no hydrogen 2.865 N/A ASP 7.A N ALA 174.A O no hydrogen 2.500 N/A ASN 8.A N ASP 7.A OD1 no hydrogen 2.641 N/A TRP 18.A N PHE 15.A O no hydrogen 3.369 N/A ARG 26.A N ASP 25.A OD1 no hydrogen 2.893 N/A ARG 30.A NH2 THR 27.A O no hydrogen 3.193 N/A THR 35.A N GLN 708.A O no hydrogen 3.114 N/A THR 36.A N THR 34.A OG1 no hydrogen 3.423 N/A TRP 37.A NE1 LEU 28.A O no hydrogen 2.630 N/A ILE 38.A N THR 35.A O no hydrogen 3.424 N/A ASN 40.A N THR 36.A O no hydrogen 3.026 N/A LEU 41.A N ILE 38.A O no hydrogen 3.372 N/A THR 50.A N ASP 47.A O no hydrogen 3.378 N/A THR 50.A OG1 ASP 47.A O no hydrogen 3.209 N/A HIS 51.A N PHE 48.A O no hydrogen 3.259 N/A HIS 51.A NE2 ALA 45.A O no hydrogen 3.292 N/A SER 59.A OG LEU 55.A O no hydrogen 2.674 N/A ARG 60.A N GLU 56.A O no hydrogen 3.190 N/A ARG 60.A NE PRO 175.A O no hydrogen 2.560 N/A LYS 61.A N ASP 57.A O no hydrogen 3.212 N/A ILE 62.A N ILE 58.A O no hydrogen 3.022 N/A PHE 63.A N SER 59.A O no hydrogen 3.247 N/A SER 64.A N ARG 60.A O no hydrogen 3.424 N/A SER 64.A OG GLY 166.A O no hydrogen 2.766 N/A ALA 65.A N ILE 62.A O no hydrogen 3.066 N/A HIS 66.A N ILE 62.A O no hydrogen 3.109 N/A HIS 69.A N HIS 66.A O no hydrogen 3.209 N/A LEU 70.A N HIS 66.A O no hydrogen 2.968 N/A ALA 71.A N PHE 67.A O no hydrogen 3.006 N/A VAL 72.A N HIS 69.A O no hydrogen 3.277 N/A VAL 73.A N HIS 69.A O no hydrogen 3.269 N/A PHE 74.A N LEU 70.A O no hydrogen 3.463 N/A LEU 77.A N VAL 73.A O no hydrogen 2.920 N/A SER 78.A N PHE 74.A O no hydrogen 3.063 N/A SER 78.A OG PHE 74.A O no hydrogen 3.381 N/A SER 78.A OG ILE 75.A O no hydrogen 3.460 N/A GLY 79.A N TRP 76.A O no hydrogen 3.361 N/A HIS 83.A N GLY 79.A O no hydrogen 3.051 N/A GLY 84.A N MET 80.A O no hydrogen 3.362 N/A ALA 85.A N PHE 82.A O no hydrogen 3.102 N/A LYS 86.A N PHE 82.A O no hydrogen 3.088 N/A SER 88.A OG GLY 84.A O no hydrogen 2.480 N/A ASN 89.A ND2 LYS 101.A O no hydrogen 3.602 N/A TYR 90.A OH ILE 142.A O no hydrogen 2.783 N/A TRP 93.A N ASN 89.A O no hydrogen 3.119 N/A ASP 96.A N TRP 93.A O no hydrogen 3.312 N/A LYS 101.A N VAL 120.A O no hydrogen 3.360 N/A SER 103.A OG ASN 89.A OD1 no hydrogen 3.328 N/A GLN 113.A NE2 TRP 108.A O no hydrogen 2.452 N/A ASN 117.A N GLY 114.A O no hydrogen 3.207 N/A ASN 117.A ND2 VAL 107.A O no hydrogen 3.642 N/A VAL 120.A N PHE 124.A O no hydrogen 3.342 N/A GLY 126.A N GLY 118.A O no hydrogen 2.961 N/A ILE 129.A N PRO 102.A O no hydrogen 3.118 N/A THR 130.A OG1 SER 382.A OG no hydrogen 2.964 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.879 N/A GLN 135.A NE2 TYR 372.A O no hydrogen 3.181 N/A GLN 135.A NE2 ASP 376.A OD2 no hydrogen 3.552 N/A TRP 137.A N LEU 133.A O no hydrogen 3.287 N/A SER 140.A OG LEU 136.A O no hydrogen 2.839 N/A THR 143.A N GLN 147.A OE1 no hydrogen 2.712 N/A THR 143.A OG1 GLY 141.A O no hydrogen 3.376 N/A ASN 144.A N GLN 147.A OE1 no hydrogen 2.892 N/A TYR 149.A N PHE 146.A O no hydrogen 3.120 N/A CYS 150.A N PHE 146.A O no hydrogen 3.064 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.850 N/A ALA 152.A N LEU 148.A O no hydrogen 3.197 N/A GLY 154.A N CYS 150.A O no hydrogen 3.464 N/A GLY 155.A N THR 151.A O no hydrogen 2.993 N/A LEU 156.A N ILE 153.A O no hydrogen 3.145 N/A VAL 157.A N ILE 153.A O no hydrogen 3.332 N/A MET 158.A N GLY 154.A O no hydrogen 3.115 N/A GLY 160.A N LEU 156.A O no hydrogen 3.269 N/A LEU 161.A N VAL 157.A O no hydrogen 2.862 N/A MET 162.A N MET 158.A O no hydrogen 3.465 N/A LEU 163.A N ALA 159.A O no hydrogen 3.331 N/A PHE 164.A N LEU 161.A O no hydrogen 3.300 N/A ALA 165.A N LEU 161.A O no hydrogen 3.116 N/A GLY 166.A N MET 162.A O no hydrogen 3.224 N/A PHE 168.A N PHE 164.A O no hydrogen 3.017 N/A HIS 171.A N TRP 167.A O no hydrogen 3.110 N/A LYS 172.A NZ ASP 9.A OD2 no hydrogen 3.314 N/A ARG 173.A NH1 ASP 9.A OD1 no hydrogen 2.624 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.721 N/A GLN 181.A N LEU 177.A O no hydrogen 3.300 N/A GLN 181.A NE2 THR 339.A O no hydrogen 3.076 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 3.035 N/A LEU 187.A N VAL 183.A O no hydrogen 3.419 N/A ASN 188.A ND2 TYR 305.A O no hydrogen 2.974 N/A HIS 189.A ND1 SER 185.A O no hydrogen 2.562 N/A HIS 190.A N MET 186.A O no hydrogen 2.899 N/A LEU 191.A N LEU 187.A O no hydrogen 3.049 N/A LEU 195.A N HIS 190.A O no hydrogen 3.418 N/A LEU 200.A N GLY 196.A O no hydrogen 3.208 N/A ALA 201.A N LEU 197.A O no hydrogen 3.003 N/A ALA 203.A N SER 199.A O no hydrogen 3.022 N/A HIS 205.A N TRP 202.A O no hydrogen 3.158 N/A HIS 205.A NE2 SER 140.A O no hydrogen 3.232 N/A GLN 206.A N TRP 202.A O no hydrogen 3.205 N/A HIS 208.A N GLY 204.A O no hydrogen 3.402 N/A VAL 209.A N HIS 205.A O no hydrogen 2.842 N/A SER 210.A N HIS 205.A O no hydrogen 3.308 N/A SER 210.A OG ALA 139.A O no hydrogen 3.292 N/A SER 210.A OG SER 140.A O no hydrogen 2.410 N/A LEU 211.A N GLN 206.A O no hydrogen 2.594 N/A ILE 213.A N VAL 209.A O no hydrogen 3.471 N/A ASN 214.A N SER 210.A O no hydrogen 3.311 N/A ASN 214.A ND2 ARG 138.A O no hydrogen 3.235 N/A LYS 215.A N PRO 212.A O no hydrogen 3.323 N/A LEU 216.A N PRO 212.A O no hydrogen 3.231 N/A LEU 217.A N ILE 213.A O no hydrogen 3.137 N/A GLY 220.A N LEU 216.A O no hydrogen 3.368 N/A VAL 221.A N LEU 216.A O no hydrogen 3.180 N/A GLU 231.A N LEU 228.A O no hydrogen 3.087 N/A ILE 233.A N HIS 230.A O no hydrogen 3.341 N/A LEU 234.A N HIS 230.A O no hydrogen 3.094 N/A ASN 235.A N GLU 231.A O no hydrogen 3.228 N/A SER 237.A OG ASN 235.A OD1 no hydrogen 3.029 N/A MET 239.A N PRO 236.A O no hydrogen 3.180 N/A LEU 242.A N MET 239.A O no hydrogen 3.307 N/A LYS 245.A NZ ALA 263.A O no hydrogen 2.933 N/A GLY 249.A N SER 252.A O no hydrogen 2.864 N/A SER 252.A N GLY 249.A O no hydrogen 3.227 N/A PHE 257.A N VAL 254.A O no hydrogen 3.025 N/A THR 259.A N ILE 255.A O no hydrogen 3.337 N/A THR 259.A OG1 ILE 255.A O no hydrogen 2.927 N/A ASN 261.A N PRO 256.A O no hydrogen 2.716 N/A TRP 262.A NE1 PHE 257.A O no hydrogen 3.111 N/A ALA 264.A N ASN 261.A O no hydrogen 3.229 N/A TYR 265.A N TRP 262.A O no hydrogen 3.062 N/A TYR 265.A OH GLY 253.A O no hydrogen 2.761 N/A SER 266.A OG ALA 263.A O no hydrogen 2.867 N/A THR 270.A OG1 SER 285.A OG no hydrogen 2.311 N/A ASN 272.A N ASP 286.A OD1 no hydrogen 3.055 N/A GLY 273.A N ASP 286.A OD2 no hydrogen 2.860 N/A ASN 276.A N GLY 281.A O no hydrogen 2.614 N/A ASN 276.A ND2 THR 279.A OG1 no hydrogen 2.945 N/A GLY 280.A N ASN 276.A O no hydrogen 2.924 N/A LEU 282.A N PRO 368.A O no hydrogen 3.047 N/A SER 285.A OG THR 270.A OG1 no hydrogen 2.311 N/A ASP 286.A N TRP 283.A O no hydrogen 3.233 N/A THR 287.A OG1 TRP 283.A O no hydrogen 3.473 N/A ALA 288.A N LEU 284.A O no hydrogen 3.476 N/A HIS 289.A N SER 285.A O no hydrogen 3.372 N/A HIS 290.A N ASP 286.A O no hydrogen 2.900 N/A HIS 291.A N THR 287.A O no hydrogen 2.841 N/A HIS 291.A ND1 GLN 206.A OE1 no hydrogen 3.002 N/A LEU 292.A N ALA 288.A O no hydrogen 3.226 N/A ALA 293.A N HIS 290.A O no hydrogen 3.312 N/A ILE 294.A N HIS 290.A O no hydrogen 3.123 N/A ALA 295.A N HIS 291.A O no hydrogen 3.075 N/A LEU 297.A N ALA 293.A O no hydrogen 3.507 N/A PHE 298.A N ILE 294.A O no hydrogen 3.280 N/A ILE 300.A N VAL 296.A O no hydrogen 3.311 N/A ALA 301.A N LEU 297.A O no hydrogen 3.089 N/A HIS 303.A N ILE 300.A O no hydrogen 3.254 N/A HIS 303.A ND1 ILE 299.A O no hydrogen 2.600 N/A ARG 306.A N HIS 313.A O no hydrogen 2.607 N/A ARG 306.A NE GLY 310.A O no hydrogen 3.414 N/A THR 307.A OG1 TYR 305.A O no hydrogen 3.271 N/A GLU 317.A N SER 314.A O no hydrogen 3.119 N/A ILE 318.A N SER 314.A O no hydrogen 3.226 N/A GLU 320.A N LYS 316.A O no hydrogen 3.412 N/A HIS 322.A N LEU 319.A O no hydrogen 3.390 N/A HIS 322.A ND1 ILE 318.A O no hydrogen 2.580 N/A GLY 324.A N THR 327.A OG1 no hydrogen 3.365 N/A ALA 329.A N ASN 417.A O no hydrogen 3.286 N/A GLY 330.A N THR 327.A O no hydrogen 3.443 N/A HIS 331.A ND1 HIS 322.A O no hydrogen 3.178 N/A LEU 334.A N HIS 331.A O no hydrogen 3.458 N/A TYR 335.A OH GLU 184.A OE2 no hydrogen 3.181 N/A THR 339.A N TYR 335.A O no hydrogen 3.292 N/A THR 339.A OG1 TYR 335.A O no hydrogen 2.529 N/A THR 340.A OG1 GLU 336.A O no hydrogen 2.713 N/A TRP 342.A NE1 SER 59.A OG no hydrogen 2.994 N/A ALA 344.A N SER 341.A OG no hydrogen 3.251 N/A GLN 345.A NE2 LEU 338.A O no hydrogen 3.195 N/A LEU 346.A N TRP 342.A O no hydrogen 3.364 N/A ILE 348.A N GLN 345.A O no hydrogen 3.235 N/A ASN 349.A N GLN 345.A O no hydrogen 2.775 N/A GLY 354.A N LEU 350.A O no hydrogen 3.285 N/A SER 355.A OG ALA 351.A O no hydrogen 2.680 N/A SER 357.A N MET 353.A O no hydrogen 3.193 N/A SER 357.A OG HIS 387.A O no hydrogen 3.284 N/A VAL 360.A N LEU 356.A O no hydrogen 3.147 N/A ALA 361.A N SER 357.A O no hydrogen 3.296 N/A GLN 362.A N ILE 358.A O no hydrogen 3.167 N/A HIS 363.A N ILE 359.A O no hydrogen 3.113 N/A MET 364.A N VAL 360.A O no hydrogen 3.272 N/A ALA 366.A N HIS 363.A O no hydrogen 3.185 N/A MET 367.A N HIS 363.A O no hydrogen 3.026 N/A TYR 372.A N THR 279.A O no hydrogen 3.211 N/A ASP 376.A N LEU 373.A O no hydrogen 3.257 N/A TYR 377.A OH VAL 514.A O no hydrogen 2.973 N/A TYR 377.A OH GLY 613.A O no hydrogen 3.248 N/A THR 379.A N ASP 376.A O no hydrogen 3.211 N/A THR 379.A OG1 ASP 376.A OD2 no hydrogen 2.314 N/A GLN 380.A N ASP 376.A O no hydrogen 3.208 N/A LEU 381.A N TYR 377.A O no hydrogen 3.405 N/A SER 382.A N PRO 378.A O no hydrogen 3.058 N/A SER 382.A OG THR 130.A OG1 no hydrogen 2.964 N/A SER 382.A OG PRO 378.A O no hydrogen 3.013 N/A LEU 383.A N THR 379.A O no hydrogen 3.271 N/A THR 385.A OG1 LEU 381.A O no hydrogen 2.968 N/A HIS 386.A N SER 382.A O no hydrogen 3.210 N/A HIS 387.A ND1 LEU 383.A O no hydrogen 3.106 N/A ILE 390.A N HIS 386.A O no hydrogen 3.112 N/A GLY 392.A N MET 388.A O no hydrogen 3.101 N/A PHE 393.A N TRP 389.A O no hydrogen 3.188 N/A LEU 394.A N ILE 390.A O no hydrogen 3.367 N/A GLY 397.A N PHE 393.A O no hydrogen 3.132 N/A GLY 398.A N LEU 394.A O no hydrogen 3.153 N/A GLY 398.A N VAL 395.A O no hydrogen 3.189 N/A ALA 399.A N VAL 396.A O no hydrogen 3.243 N/A ALA 400.A N VAL 396.A O no hydrogen 3.092 N/A ALA 403.A N ALA 400.A O no hydrogen 3.205 N/A ILE 404.A N ALA 400.A O no hydrogen 3.312 N/A ARG 408.A N ILE 404.A O no hydrogen 3.011 N/A ARG 408.A NH1 ASP 47.A OD1 no hydrogen 3.346 N/A ASP 409.A N PHE 405.A O no hydrogen 2.894 N/A ASN 415.A N ASP 411.A O no hydrogen 3.430 N/A ASN 415.A ND2 ASP 411.A O no hydrogen 2.566 N/A ASN 417.A N ASP 421.A OD2 no hydrogen 3.134 N/A ASN 418.A ND2 LYS 332.A O no hydrogen 3.185 N/A VAL 419.A N GLY 330.A O no hydrogen 3.031 N/A ASP 421.A N ASN 418.A OD1 no hydrogen 3.239 N/A ARG 422.A N ASN 418.A O no hydrogen 3.064 N/A ARG 422.A NH1 ASN 417.A OD1 no hydrogen 2.747 N/A HIS 426.A N VAL 423.A O no hydrogen 3.399 N/A HIS 426.A ND1 ARG 422.A O no hydrogen 2.650 N/A ARG 427.A NH1 LEU 548.A O no hydrogen 2.993 N/A ARG 427.A NH1 SER 552.A O no hydrogen 2.975 N/A ARG 427.A NH2 SER 552.A O no hydrogen 2.725 N/A ALA 429.A N HIS 426.A O no hydrogen 2.949 N/A SER 432.A OG ASP 428.A O no hydrogen 2.452 N/A LEU 434.A N ILE 430.A O no hydrogen 3.111 N/A ASN 435.A N ILE 431.A O no hydrogen 2.805 N/A TRP 436.A N HIS 433.A O no hydrogen 3.270 N/A VAL 437.A N HIS 433.A O no hydrogen 3.375 N/A CYS 438.A SG LEU 434.A O no hydrogen 3.252 N/A ILE 439.A N ASN 435.A O no hydrogen 3.380 N/A PHE 440.A N TRP 436.A O no hydrogen 2.977 N/A LEU 441.A N VAL 437.A O no hydrogen 2.837 N/A GLY 442.A N CYS 438.A O no hydrogen 3.143 N/A PHE 443.A N ILE 439.A O no hydrogen 3.293 N/A HIS 444.A N PHE 440.A O no hydrogen 3.258 N/A HIS 444.A ND1 PHE 440.A O no hydrogen 2.878 N/A SER 445.A OG LEU 441.A O no hydrogen 2.327 N/A SER 445.A OG HIS 530.A O no hydrogen 3.517 N/A GLY 447.A N PHE 443.A O no hydrogen 3.114 N/A TYR 449.A N PHE 446.A O no hydrogen 3.106 N/A VAL 450.A N PHE 446.A O no hydrogen 3.327 N/A HIS 451.A N GLY 447.A O no hydrogen 3.070 N/A HIS 451.A NE2 ASP 463.A O no hydrogen 3.288 N/A ASN 452.A ND2 PHE 465.A O no hydrogen 3.493 N/A ASN 452.A ND2 ILE 634.A O no hydrogen 3.496 N/A ASP 453.A N TYR 449.A O no hydrogen 3.095 N/A THR 454.A OG1 HIS 451.A O no hydrogen 3.351 N/A MET 455.A N HIS 451.A O no hydrogen 3.186 N/A ARG 456.A N ASN 452.A O no hydrogen 3.332 N/A ARG 456.A NH1 GLN 631.A O no hydrogen 3.539 N/A ARG 456.A NH2 GLN 631.A O no hydrogen 2.830 N/A ALA 457.A N ASP 453.A O no hydrogen 3.022 N/A PHE 458.A N THR 454.A O no hydrogen 2.972 N/A ARG 460.A N MET 455.A O no hydrogen 2.956 N/A ARG 460.A NE ASP 463.A OD2 no hydrogen 3.464 N/A GLN 462.A N GLN 462.A OE1 no hydrogen 2.979 N/A PHE 465.A N ASN 452.A OD1 no hydrogen 3.293 N/A GLY 469.A N SER 466.A OG no hydrogen 3.387 N/A ILE 470.A N MET 464.A O no hydrogen 2.873 N/A GLN 471.A NE2 ASP 467.A O no hydrogen 2.810 N/A GLN 478.A N VAL 475.A O no hydrogen 3.163 N/A GLN 478.A NE2 LEU 521.A O no hydrogen 3.026 N/A TRP 479.A N VAL 475.A O no hydrogen 3.112 N/A VAL 480.A N PHE 476.A O no hydrogen 3.313 N/A GLN 481.A NE2 ILE 519.A O no hydrogen 3.448 N/A ASN 482.A N TRP 479.A O no hydrogen 3.178 N/A THR 485.A N ASN 482.A O no hydrogen 2.996 N/A THR 485.A OG1 GLN 481.A O no hydrogen 3.004 N/A LEU 486.A N ASN 482.A O no hydrogen 3.132 N/A GLY 489.A N ALA 492.A O no hydrogen 3.266 N/A GLY 490.A N ALA 487.A O no hydrogen 3.003 N/A ALA 492.A N ALA 487.A O no hydrogen 3.046 N/A ALA 495.A N ALA 492.A O no hydrogen 3.452 N/A ALA 497.A N ASN 272.A O no hydrogen 3.303 N/A THR 498.A OG1 HIS 484.A O no hydrogen 2.437 N/A SER 500.A OG ALA 366.A O no hydrogen 3.196 N/A PHE 503.A N SER 500.A O no hydrogen 3.440 N/A GLY 504.A N VAL 501.A O no hydrogen 2.955 N/A VAL 508.A N MET 516.A O no hydrogen 3.004 N/A VAL 510.A N LYS 513.A O no hydrogen 3.144 N/A LYS 513.A N VAL 510.A O no hydrogen 3.350 N/A VAL 514.A N TYR 377.A OH no hydrogen 3.298 N/A VAL 514.A N GLY 613.A O no hydrogen 3.150 N/A ALA 515.A N VAL 508.A O no hydrogen 2.821 N/A MET 516.A N VAL 508.A O no hydrogen 3.410 N/A ILE 519.A N ALA 502.A O no hydrogen 3.310 N/A THR 523.A OG1 ASP 467.A OD1 no hydrogen 2.514 N/A THR 523.A OG1 GLN 473.A OE1 no hydrogen 2.910 N/A PHE 526.A N GLY 522.A O no hydrogen 3.164 N/A PHE 526.A N THR 523.A O no hydrogen 3.243 N/A MET 527.A N THR 523.A O no hydrogen 3.282 N/A HIS 530.A ND1 PHE 526.A O no hydrogen 2.979 N/A HIS 532.A N VAL 528.A O no hydrogen 3.150 N/A ALA 533.A N HIS 529.A O no hydrogen 3.248 N/A THR 535.A N ILE 531.A O no hydrogen 2.964 N/A THR 535.A OG1 ILE 531.A O no hydrogen 3.018 N/A THR 535.A OG1 HIS 532.A O no hydrogen 3.261 N/A ILE 536.A N HIS 532.A O no hydrogen 3.330 N/A HIS 537.A N ALA 533.A O no hydrogen 3.449 N/A HIS 537.A ND1 ALA 533.A O no hydrogen 2.677 N/A VAL 538.A N PHE 534.A O no hydrogen 3.348 N/A THR 539.A N THR 535.A O no hydrogen 3.413 N/A THR 539.A OG1 THR 535.A O no hydrogen 2.602 N/A THR 539.A OG1 TRP 591.A O no hydrogen 3.366 N/A VAL 540.A N ILE 536.A O no hydrogen 2.980 N/A LEU 541.A N HIS 537.A O no hydrogen 3.089 N/A ILE 542.A N VAL 538.A O no hydrogen 3.304 N/A LEU 543.A N THR 539.A O no hydrogen 3.272 N/A LEU 544.A N VAL 540.A O no hydrogen 2.802 N/A LYS 545.A N LEU 541.A O no hydrogen 3.287 N/A LYS 545.A NZ HIS 584.A NE2 no hydrogen 3.125 N/A GLY 546.A N ILE 542.A O no hydrogen 3.364 N/A LEU 548.A N LEU 544.A O no hydrogen 3.186 N/A PHE 549.A N LYS 545.A O no hydrogen 3.258 N/A ARG 551.A NH1 MET 406.A O no hydrogen 2.659 N/A SER 553.A N ILE 556.A O no hydrogen 3.044 N/A ARG 554.A NH1 ASP 428.A OD2 no hydrogen 2.982 N/A LYS 559.A NZ PHE 549.A O no hydrogen 2.618 N/A LYS 559.A NZ VAL 579.A O no hydrogen 3.372 N/A ALA 560.A N ARG 551.A O no hydrogen 2.993 N/A ASN 561.A N ASP 558.A O no hydrogen 3.273 N/A LEU 562.A N LYS 559.A O no hydrogen 3.318 N/A ASP 569.A N THR 576.A OG1 no hydrogen 2.904 N/A GLY 570.A N THR 576.A OG1 no hydrogen 3.010 N/A ARG 573.A NH1 ASP 569.A OD2 no hydrogen 2.867 N/A ARG 573.A NH2 ASP 569.A OD2 no hydrogen 2.786 N/A THR 576.A N GLY 570.A O no hydrogen 3.381 N/A THR 576.A OG1 GLY 570.A O no hydrogen 3.129 N/A GLN 578.A N PRO 567.A O no hydrogen 3.381 N/A SER 580.A OG PHE 566.A O no hydrogen 2.911 N/A HIS 584.A ND1 SER 580.A O no hydrogen 2.818 N/A PHE 586.A N TRP 582.A O no hydrogen 3.150 N/A GLY 588.A N HIS 584.A O no hydrogen 3.219 N/A MET 592.A N GLY 588.A O no hydrogen 3.338 N/A TYR 593.A N LEU 589.A O no hydrogen 3.443 N/A TYR 593.A OH GLY 729.A O no hydrogen 2.995 N/A ASN 594.A N PHE 590.A O no hydrogen 3.330 N/A CYS 595.A N TRP 591.A O no hydrogen 3.217 N/A CYS 595.A SG THR 535.A OG1 no hydrogen 3.475 N/A ILE 596.A N MET 592.A O no hydrogen 2.932 N/A SER 597.A N TYR 593.A O no hydrogen 3.329 N/A SER 597.A OG TYR 593.A O no hydrogen 2.593 N/A ILE 600.A N ILE 596.A O no hydrogen 3.155 N/A HIS 602.A N VAL 598.A O no hydrogen 2.965 N/A PHE 603.A N VAL 599.A O no hydrogen 3.069 N/A LYS 606.A N HIS 602.A O no hydrogen 3.219 N/A LYS 606.A NZ VAL 520.A O no hydrogen 2.882 N/A LYS 606.A NZ ASP 525.A OD2 no hydrogen 2.846 N/A LYS 606.A NZ ASP 610.A OD2 no hydrogen 3.383 N/A MET 607.A N PHE 603.A O no hydrogen 3.247 N/A SER 609.A N TRP 605.A O no hydrogen 3.127 N/A SER 609.A OG TRP 605.A O no hydrogen 3.006 N/A SER 609.A OG THR 625.A OG1 no hydrogen 2.745 N/A SER 609.A OG ASN 628.A OD1 no hydrogen 3.097 N/A ASP 610.A N LYS 606.A O no hydrogen 3.017 N/A VAL 611.A N MET 607.A O no hydrogen 2.984 N/A TRP 612.A N MET 607.A O no hydrogen 2.744 N/A THR 614.A N SER 622.A O no hydrogen 3.362 N/A VAL 615.A N GLY 512.A O no hydrogen 2.898 N/A ALA 616.A N THR 620.A O no hydrogen 3.306 N/A SER 622.A N THR 614.A O no hydrogen 3.137 N/A ILE 624.A N GLN 608.A O no hydrogen 3.171 N/A THR 625.A N GLN 608.A O no hydrogen 3.503 N/A THR 625.A OG1 SER 609.A OG no hydrogen 2.745 N/A THR 625.A OG1 ASN 628.A OD1 no hydrogen 2.989 N/A SER 632.A N ASN 628.A O no hydrogen 3.176 N/A SER 632.A OG ASN 628.A O no hydrogen 3.252 N/A SER 632.A OG ASP 642.A OD2 no hydrogen 3.386 N/A ILE 636.A N ASP 453.A OD1 no hydrogen 3.296 N/A GLY 638.A N THR 635.A OG1 no hydrogen 3.237 N/A TRP 639.A N ILE 636.A O no hydrogen 3.190 N/A ARG 641.A N ASN 637.A O no hydrogen 3.170 N/A ARG 641.A NE ASP 642.A OD2 no hydrogen 3.483 N/A ARG 641.A NH2 ASP 642.A OD2 no hydrogen 3.535 N/A ASP 642.A N GLY 638.A O no hydrogen 3.264 N/A LEU 644.A N TRP 639.A O no hydrogen 3.346 N/A TRP 645.A N LEU 640.A O no hydrogen 3.037 N/A GLN 647.A N PHE 643.A O no hydrogen 3.385 N/A GLN 647.A NE2 GLN 608.A OE1 no hydrogen 3.123 N/A SER 649.A OG ALA 646.A O no hydrogen 3.455 N/A SER 654.A OG VAL 651.A O no hydrogen 3.043 N/A SER 654.A OG LEU 659.A O no hydrogen 3.447 N/A SER 657.A OG SER 654.A O no hydrogen 2.860 N/A TYR 662.A N LEU 659.A O no hydrogen 3.255 N/A LEU 665.A N ALA 661.A O no hydrogen 3.284 N/A PHE 666.A N TYR 662.A O no hydrogen 3.188 N/A GLY 668.A N LEU 664.A O no hydrogen 2.921 N/A ALA 669.A N LEU 665.A O no hydrogen 3.202 N/A HIS 670.A ND1 PHE 666.A O no hydrogen 2.678 N/A PHE 671.A N GLY 668.A O no hydrogen 3.318 N/A TRP 673.A N ALA 669.A O no hydrogen 3.474 N/A PHE 675.A N PHE 671.A O no hydrogen 3.134 N/A SER 676.A N ILE 672.A O no hydrogen 3.015 N/A SER 676.A OG TRP 673.A O no hydrogen 2.943 N/A LEU 677.A N ALA 674.A O no hydrogen 3.398 N/A MET 678.A N PHE 675.A O no hydrogen 3.397 N/A PHE 679.A N SER 676.A O no hydrogen 3.283 N/A LEU 680.A N SER 676.A O no hydrogen 3.254 N/A SER 682.A OG MET 678.A O no hydrogen 2.844 N/A ARG 684.A NE LEU 712.A O no hydrogen 2.758 N/A GLN 688.A N ARG 684.A O no hydrogen 3.225 N/A GLN 688.A NE2 GLN 688.A O no hydrogen 3.612 N/A LEU 690.A N TYR 686.A O no hydrogen 3.273 N/A ILE 691.A N TRP 687.A O no hydrogen 3.394 N/A GLU 692.A N GLN 688.A O no hydrogen 3.358 N/A ILE 694.A N ILE 691.A O no hydrogen 2.999 N/A VAL 695.A N ILE 691.A O no hydrogen 2.819 N/A ALA 697.A N ILE 694.A O no hydrogen 3.207 N/A HIS 698.A N VAL 695.A O no hydrogen 3.201 N/A HIS 698.A ND1 ILE 694.A O no hydrogen 2.601 N/A ASN 699.A N VAL 695.A O no hydrogen 3.174 N/A LYS 700.A N TRP 696.A O no hydrogen 3.314 N/A LEU 701.A N HIS 698.A O no hydrogen 3.392 N/A LYS 702.A N ASN 699.A O no hydrogen 3.390 N/A VAL 703.A N HIS 698.A O no hydrogen 2.932 N/A ALA 711.A N GLN 688.A OE1 no hydrogen 3.121 N/A GLY 717.A N SER 713.A O no hydrogen 3.078 N/A ARG 718.A N ILE 715.A O no hydrogen 3.136 N/A ALA 719.A N ILE 715.A O no hydrogen 3.040 N/A VAL 720.A N GLN 716.A O no hydrogen 3.064 N/A ALA 723.A N VAL 720.A O no hydrogen 3.297 N/A HIS 724.A N VAL 720.A O no hydrogen 3.237 N/A HIS 724.A ND1 VAL 720.A O no hydrogen 2.750 N/A LEU 726.A N VAL 722.A O no hydrogen 3.417 N/A LEU 727.A N ALA 723.A O no hydrogen 3.182 N/A GLY 728.A N HIS 724.A O no hydrogen 3.090 N/A GLY 729.A N LEU 726.A O no hydrogen 3.229 N/A ILE 730.A N LEU 726.A O no hydrogen 2.895 N/A ALA 731.A N LEU 727.A O no hydrogen 3.291 N/A THR 733.A N ILE 730.A O no hydrogen 3.149 N/A THR 733.A OG1 GLY 729.A O no hydrogen 3.266 N/A TRP 734.A N ILE 730.A O no hydrogen 2.959 N/A ALA 735.A N ALA 731.A O no hydrogen 3.469 N/A PHE 737.A N THR 733.A O no hydrogen 2.980 N/A LEU 738.A N TRP 734.A O no hydrogen 3.233 N/A ARG 740.A NH1 GLN 650.A OE1 no hydrogen 3.035 N/A ILE 741.A N PHE 737.A O no hydrogen 3.181 N/A ILE 742.A N LEU 738.A O no hydrogen 3.364 N/A SER 743.A OG ALA 739.A O no hydrogen 3.352 N/A VAL 744.A N ARG 740.A O no hydrogen 3.239 N/A GLY 745.A N ILE 741.A O no hydrogen 3.022 N/A