Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wb1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 16.A N SER 12.A O no hydrogen 3.287 N/A ARG 17.A N PRO 13.A O no hydrogen 3.324 N/A LYS 18.A N ASP 14.A O no hydrogen 3.072 N/A SER 20.A N LYS 18.A O no hydrogen 2.599 N/A SER 20.A OG LYS 18.A O no hydrogen 3.124 N/A CYS 44.A SG CYS 54.A O no hydrogen 3.908 N/A THR 46.A OG1 HIS 57.A ND1 no hydrogen 3.185 N/A LEU 51.A N GLN 42.A O no hydrogen 3.421 N/A HIS 57.A NE2 CYS 54.A O no hydrogen 3.163 N/A GLY 59.A N VAL 182.A O no hydrogen 2.772 N/A ILE 61.A N LEU 180.A O no hydrogen 3.058 N/A LEU 63.A N THR 178.A O no hydrogen 2.708 N/A VAL 67.A N LEU 177.A O no hydrogen 3.282 N/A VAL 73.A N VAL 70.A O no hydrogen 3.281 N/A LYS 74.A NZ GLY 71.A O no hydrogen 2.664 N/A HIS 75.A N PHE 72.A O no hydrogen 3.165 N/A VAL 76.A N PHE 72.A O no hydrogen 2.740 N/A TYR 77.A N VAL 73.A O no hydrogen 3.432 N/A PHE 79.A N HIS 75.A O no hydrogen 3.318 N/A LEU 80.A N VAL 76.A O no hydrogen 3.434 N/A LYS 81.A N GLU 78.A O no hydrogen 3.013 N/A LYS 81.A NZ TYR 77.A OH no hydrogen 3.410 N/A ALA 82.A N PHE 79.A O no hydrogen 3.038 N/A THR 83.A OG1 PHE 79.A O no hydrogen 2.644 N/A VAL 90.A N GLY 88.A O no hydrogen 2.639 N/A GLU 98.A N GLU 94.A O no hydrogen 3.149 N/A GLU 98.A N ASP 95.A O no hydrogen 2.900 N/A ILE 103.A N LYS 99.A O no hydrogen 2.713 N/A TYR 104.A N TYR 100.A O no hydrogen 3.197 N/A ASN 105.A ND2 TYR 104.A O no hydrogen 2.580 N/A SER 113.A OG ARG 110.A O no hydrogen 3.448 N/A ARG 116.A N PRO 112.A O no hydrogen 2.901 N/A ARG 117.A N ALA 114.A O no hydrogen 2.841 N/A LEU 118.A N ALA 114.A O no hydrogen 2.664 N/A THR 119.A N ALA 115.A O no hydrogen 3.212 N/A THR 119.A OG1 ALA 115.A O no hydrogen 2.891 N/A TYR 121.A N ARG 117.A O no hydrogen 3.250 N/A LYS 123.A N THR 119.A O no hydrogen 3.348 N/A LYS 124.A N GLU 120.A O no hydrogen 3.065 N/A THR 125.A N VAL 122.A O no hydrogen 3.174 N/A THR 125.A OG1 TYR 121.A O no hydrogen 2.856 N/A CYS 132.A SG CYS 84.A O no hydrogen 3.954 N/A CYS 132.A SG LYS 128.A O no hydrogen 3.159 N/A ASP 147.A N THR 144.A O no hydrogen 2.786 N/A ILE 148.A N THR 144.A O no hydrogen 3.152 N/A ILE 148.A N PRO 145.A O no hydrogen 3.156 N/A ARG 149.A N PRO 145.A O no hydrogen 3.391 N/A ARG 149.A NH1 ILE 176.A O no hydrogen 2.675 N/A ARG 151.A N ILE 148.A O no hydrogen 3.305 N/A LEU 152.A N ARG 149.A O no hydrogen 3.380 N/A GLU 153.A N ARG 149.A O no hydrogen 3.227 N/A VAL 155.A N LEU 152.A O no hydrogen 3.341 N/A ASP 159.A N PRO 156.A O no hydrogen 3.366 N/A GLY 164.A N GLU 161.A O no hydrogen 2.740 N/A THR 168.A N ASP 166.A OD1 no hydrogen 3.196 N/A THR 169.A N ASP 166.A OD1 no hydrogen 3.307 N/A THR 169.A OG1 ASP 166.A OD1 no hydrogen 3.170 N/A SER 170.A OG ASP 166.A O no hydrogen 2.885 N/A ARG 171.A NE GLU 173.A OE1 no hydrogen 2.672 N/A ARG 171.A NE GLU 173.A OE2 no hydrogen 2.802 N/A ARG 171.A NH2 VAL 155.A O no hydrogen 2.614 N/A ARG 171.A NH2 GLU 173.A OE1 no hydrogen 3.382 N/A ARG 171.A NH2 GLU 173.A OE2 no hydrogen 3.016 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.649 N/A MET 175.A N PRO 172.A O no hydrogen 3.193 N/A LEU 177.A N VAL 67.A O no hydrogen 3.026 N/A LEU 180.A N ILE 61.A O no hydrogen 3.016 N/A VAL 182.A N GLY 59.A O no hydrogen 2.559 N/A ILE 187.A N PRO 184.A O no hydrogen 2.969 N/A ARG 188.A N ILE 185.A O no hydrogen 3.129 N/A SER 190.A OG ASP 195.A OD2 no hydrogen 3.482 N/A HIS 199.A N ASP 196.A O no hydrogen 3.102 N/A LYS 200.A NZ TYR 238.A O no hydrogen 3.383 N/A LEU 201.A N THR 198.A O no hydrogen 3.180 N/A VAL 202.A N THR 198.A O no hydrogen 3.067 N/A VAL 202.A N HIS 199.A O no hydrogen 2.920 N/A ASP 203.A N HIS 199.A O no hydrogen 3.381 N/A VAL 205.A N LEU 201.A O no hydrogen 3.496 N/A ARG 206.A N VAL 202.A O no hydrogen 2.889 N/A ILE 207.A N ASP 203.A O no hydrogen 3.299 N/A ASN 208.A N ILE 204.A O no hydrogen 2.621 N/A ASN 208.A ND2 GLU 62.A O no hydrogen 3.333 N/A GLU 209.A N ARG 206.A O no hydrogen 3.089 N/A ARG 210.A N ARG 206.A O no hydrogen 2.994 N/A LEU 211.A N ILE 207.A O no hydrogen 3.029 N/A GLU 213.A N GLU 209.A O no hydrogen 3.086 N/A SER 214.A N LEU 211.A O no hydrogen 3.080 N/A SER 214.A OG ARG 210.A O no hydrogen 3.133 N/A SER 214.A OG LEU 211.A O no hydrogen 2.947 N/A GLU 225.A N LEU 222.A O no hydrogen 3.192 N/A ASP 226.A N LEU 222.A O no hydrogen 2.727 N/A ASP 226.A N ILE 223.A O no hydrogen 3.188 N/A LEU 230.A N LEU 227.A O no hydrogen 2.760 N/A LEU 231.A N LEU 227.A O no hydrogen 3.264 N/A GLN 232.A NE2 TRP 228.A O no hydrogen 2.833 N/A TYR 233.A N LEU 230.A O no hydrogen 3.154 N/A HIS 234.A N LEU 230.A O no hydrogen 2.629 N/A VAL 235.A N LEU 231.A O no hydrogen 3.112 N/A THR 237.A N TYR 233.A O no hydrogen 2.702 N/A THR 237.A OG1 TYR 233.A O no hydrogen 2.714 N/A TYR 238.A N HIS 234.A O no hydrogen 2.788 N/A PHE 239.A N VAL 235.A O no hydrogen 3.444 N/A ASN 241.A N ASP 240.A OD1 no hydrogen 2.858 N/A SER 253.A N HIS 251.A O no hydrogen 2.554 N/A SER 253.A OG HIS 251.A O no hydrogen 2.980 N/A THR 259.A N GLN 262.A OE1 no hydrogen 2.990 N/A THR 259.A OG1 PHE 239.A O no hydrogen 3.404 N/A THR 259.A OG1 GLN 262.A OE1 no hydrogen 2.665 N/A LEU 260.A N TYR 238.A O no hydrogen 3.455 N/A ALA 261.A N PHE 239.A O no hydrogen 2.633 N/A GLN 262.A N THR 259.A O no hydrogen 3.134 N/A GLN 262.A NE2 GLU 242.A OE1 no hydrogen 2.642 N/A ARG 263.A N THR 259.A O no hydrogen 3.038 N/A ARG 263.A NH1 ILE 187.A O no hydrogen 3.253 N/A ARG 263.A NH2 ILE 187.A O no hydrogen 2.902 N/A GLY 266.A N GLN 262.A O no hydrogen 3.284 N/A ASN 274.A N ARG 270.A O no hydrogen 2.592 N/A SER 276.A N PHE 271.A O no hydrogen 2.927 N/A SER 283.A OG VAL 280.A O no hydrogen 2.712 N/A SER 283.A OG ASP 281.A O no hydrogen 3.202 N/A SER 284.A N LEU 426.A O no hydrogen 2.826 N/A ARG 285.A NE ASN 425.A OD1 no hydrogen 2.945 N/A ILE 288.A N ASP 422.A O no hydrogen 2.713 N/A SER 289.A N PHE 405.A O no hydrogen 2.885 N/A SER 289.A OG THR 404.A OG1 no hydrogen 2.471 N/A SER 295.A N GLU 298.A OE1 no hydrogen 2.884 N/A SER 295.A OG ASP 591.A OD2 no hydrogen 2.631 N/A ILE 296.A N ASP 591.A OD1 no hydrogen 3.237 N/A GLU 298.A N SER 295.A O no hydrogen 2.792 N/A VAL 299.A N ARG 396.A O no hydrogen 2.850 N/A GLY 300.A N ARG 406.A O no hydrogen 2.881 N/A VAL 301.A N ARG 398.A O no hydrogen 3.090 N/A ALA 306.A N PRO 302.A O no hydrogen 3.071 N/A ARG 307.A N GLU 303.A O no hydrogen 3.002 N/A THR 308.A N ILE 305.A O no hydrogen 3.046 N/A THR 308.A OG1 ILE 304.A O no hydrogen 2.585 N/A THR 308.A OG1 ILE 305.A O no hydrogen 3.570 N/A LEU 309.A N ILE 305.A O no hydrogen 2.940 N/A VAL 311.A N ARG 371.A O no hydrogen 2.908 N/A GLU 313.A N VAL 369.A O no hydrogen 3.043 N/A ILE 315.A N TYR 367.A O no hydrogen 2.953 N/A THR 316.A N ASN 319.A OD1 no hydrogen 3.279 N/A ASN 319.A N THR 316.A O no hydrogen 2.951 N/A ASN 319.A ND2 ARG 314.A O no hydrogen 3.216 N/A LYS 322.A NZ GLU 313.A OE2 no hydrogen 3.529 N/A LEU 323.A N ASN 319.A O no hydrogen 3.150 N/A ARG 324.A N ILE 320.A O no hydrogen 2.994 N/A ARG 324.A NE ALA 360.A O no hydrogen 2.907 N/A ARG 324.A NH1 GLU 321.A OE2 no hydrogen 2.986 N/A ARG 324.A NH2 LEU 363.A O no hydrogen 2.842 N/A GLN 325.A N GLU 321.A O no hydrogen 3.310 N/A VAL 327.A N LEU 323.A O no hydrogen 3.314 N/A ILE 328.A N ARG 324.A O no hydrogen 3.045 N/A ASN 329.A N PHE 326.A O no hydrogen 3.021 N/A ASN 329.A ND2 PRO 335.A O no hydrogen 2.627 N/A GLY 330.A N PHE 326.A O no hydrogen 3.333 N/A TRP 334.A NE1 LEU 373.A O no hydrogen 3.191 N/A ASN 338.A N GLU 370.A O no hydrogen 3.064 N/A ASN 338.A ND2 ARG 307.A O no hydrogen 2.961 N/A TYR 339.A N GLU 370.A O no hydrogen 3.476 N/A ILE 341.A N VAL 368.A O no hydrogen 2.793 N/A ARG 342.A N ARG 346.A O no hydrogen 3.015 N/A GLY 345.A N ARG 342.A O no hydrogen 2.829 N/A ARG 347.A NH1 GLU 370.A OE1 no hydrogen 3.056 N/A ILE 348.A N VAL 340.A O no hydrogen 3.294 N/A LEU 350.A N ASN 338.A O no hydrogen 3.179 N/A ARG 351.A N ASP 349.A OD2 no hydrogen 3.048 N/A ARG 351.A NH1 ASP 332.A OD2 no hydrogen 3.221 N/A ARG 351.A NH2 ASP 332.A OD2 no hydrogen 3.422 N/A ARG 356.A NH2 ILE 328.A O no hydrogen 3.348 N/A LYS 357.A N ASP 355.A OD1 no hydrogen 3.177 N/A GLU 358.A N ASP 355.A O no hydrogen 3.434 N/A SER 361.A N GLU 358.A O no hydrogen 3.015 N/A SER 361.A OG GLU 358.A O no hydrogen 3.081 N/A THR 362.A N LEU 359.A O no hydrogen 2.735 N/A THR 362.A OG1 GLU 358.A O no hydrogen 3.464 N/A THR 362.A OG1 LEU 359.A O no hydrogen 3.134 N/A LEU 363.A N LEU 359.A O no hydrogen 3.241 N/A TYR 367.A N ALA 364.A O no hydrogen 3.186 N/A VAL 368.A N ILE 341.A O no hydrogen 2.787 N/A VAL 369.A N GLU 313.A O no hydrogen 2.904 N/A ARG 371.A N VAL 311.A O no hydrogen 3.030 N/A ARG 371.A NH2 ASP 377.A OD1 no hydrogen 2.808 N/A HIS 372.A N GLY 336.A O no hydrogen 2.732 N/A HIS 372.A ND1 TRP 334.A O no hydrogen 2.744 N/A HIS 372.A NE2 ASN 338.A OD1 no hydrogen 2.701 N/A LEU 373.A N ALA 306.A O no hydrogen 3.356 N/A THR 374.A N ASP 377.A OD2 no hydrogen 2.804 N/A GLY 376.A N VAL 397.A O no hydrogen 2.753 N/A ASP 377.A N THR 374.A O no hydrogen 3.339 N/A VAL 379.A N HIS 395.A O no hydrogen 3.364 N/A LEU 380.A N HIS 427.A O no hydrogen 3.130 N/A PHE 381.A N MET 393.A O no hydrogen 3.050 N/A ASN 382.A N ASN 425.A O no hydrogen 2.811 N/A ASN 382.A ND2 SER 391.A O no hydrogen 2.679 N/A ARG 383.A NE TYR 415.A O no hydrogen 2.843 N/A ARG 383.A NH2 TYR 415.A O no hydrogen 3.339 N/A SER 391.A N HIS 388.A O no hydrogen 3.354 N/A SER 391.A OG PRO 414.A O no hydrogen 3.515 N/A MET 392.A N ARG 389.A O no hydrogen 3.206 N/A MET 393.A N PHE 381.A O no hydrogen 3.173 N/A ALA 394.A N MET 442.A O no hydrogen 2.638 N/A HIS 395.A N VAL 379.A O no hydrogen 2.793 N/A HIS 395.A ND1 GLU 298.A O no hydrogen 2.722 N/A HIS 395.A NE2 TYR 415.A OH no hydrogen 2.709 N/A ARG 396.A N ASP 297.A O no hydrogen 2.582 N/A ARG 396.A NE GLY 376.A O no hydrogen 2.864 N/A ARG 396.A NH2 GLY 376.A O no hydrogen 3.279 N/A VAL 397.A N ASP 377.A O no hydrogen 3.128 N/A ARG 398.A N VAL 299.A O no hydrogen 2.984 N/A ARG 398.A NH1 GLU 298.A OE2 no hydrogen 3.403 N/A VAL 399.A N ASP 375.A OD2 no hydrogen 3.017 N/A LEU 400.A N VAL 301.A O no hydrogen 2.910 N/A THR 404.A OG1 SER 289.A OG no hydrogen 2.471 N/A THR 404.A OG1 PHE 405.A O no hydrogen 3.536 N/A PHE 405.A N VAL 287.A O no hydrogen 3.111 N/A ARG 406.A N GLY 300.A O no hydrogen 2.949 N/A ARG 406.A NE THR 404.A O no hydrogen 3.060 N/A ARG 406.A NE THR 404.A OG1 no hydrogen 2.983 N/A ARG 406.A NH1 LYS 401.A O no hydrogen 3.366 N/A ARG 406.A NH2 LYS 401.A O no hydrogen 2.414 N/A ARG 406.A NH2 THR 404.A O no hydrogen 3.512 N/A LEU 407.A N SER 289.A O no hydrogen 3.355 N/A ASN 408.A ND2 PRO 292.A O no hydrogen 3.627 N/A ASN 408.A ND2 ILE 294.A O no hydrogen 2.855 N/A LEU 410.A N ASN 408.A OD1 no hydrogen 3.184 N/A VAL 411.A N ASN 408.A O no hydrogen 2.755 N/A CYS 412.A SG LEU 409.A O no hydrogen 3.475 N/A TYR 415.A OH HIS 395.A NE2 no hydrogen 2.709 N/A ASN 416.A N PRO 413.A O no hydrogen 3.184 N/A ALA 417.A N CYS 412.A O no hydrogen 3.155 N/A MET 424.A N THR 286.A O no hydrogen 3.077 N/A ASN 425.A N ASN 382.A O no hydrogen 2.731 N/A LEU 426.A N SER 284.A O no hydrogen 2.775 N/A HIS 427.A N LEU 380.A O no hydrogen 2.935 N/A VAL 428.A N PHE 282.A O no hydrogen 3.019 N/A GLN 430.A NE2 THR 310.A O no hydrogen 2.833 N/A GLN 430.A NE2 VAL 428.A O no hydrogen 3.443 N/A GLN 430.A NE2 PRO 429.A O no hydrogen 3.332 N/A ALA 434.A N SER 431.A OG no hydrogen 3.282 N/A ILE 435.A N SER 431.A O no hydrogen 3.191 N/A GLU 437.A N GLU 433.A O no hydrogen 2.759 N/A ALA 438.A N ALA 434.A O no hydrogen 3.114 N/A LYS 439.A N ALA 436.A O no hydrogen 2.860 N/A GLU 440.A N ALA 436.A O no hydrogen 3.109 N/A GLU 440.A N GLU 437.A O no hydrogen 3.155 N/A HIS 445.A N ASP 297.A OD1 no hydrogen 2.732 N/A LYS 446.A N LEU 443.A O no hydrogen 2.851 N/A LYS 446.A NZ LYS 439.A O no hydrogen 3.285 N/A LYS 446.A NZ GLU 440.A O no hydrogen 3.460 N/A ASN 447.A N VAL 444.A O no hydrogen 2.796 N/A ASN 447.A ND2 ILE 441.A O no hydrogen 2.798 N/A ASN 447.A ND2 LEU 443.A O no hydrogen 3.268 N/A THR 450.A N GLY 455.A O no hydrogen 2.870 N/A THR 450.A OG1 GLY 455.A O no hydrogen 3.431 N/A ILE 457.A N ILE 448.A O no hydrogen 2.879 N/A ILE 458.A N ILE 448.A O no hydrogen 3.516 N/A GLY 459.A N LEU 410.A O no hydrogen 2.947 N/A SER 466.A N GLN 462.A O no hydrogen 3.320 N/A GLY 467.A N ASP 463.A O no hydrogen 2.997 N/A ALA 468.A N TYR 464.A O no hydrogen 3.006 N/A TYR 469.A N SER 466.A O no hydrogen 3.106 N/A LEU 470.A N SER 466.A O no hydrogen 3.051 N/A LEU 471.A N GLY 467.A O no hydrogen 2.867 N/A THR 472.A N ALA 468.A O no hydrogen 3.258 N/A THR 472.A OG1 ALA 468.A O no hydrogen 2.295 N/A LYS 474.A NZ PRO 543.A O no hydrogen 2.760 N/A THR 476.A OG1 LEU 470.A O no hydrogen 2.485 N/A LEU 478.A N TYR 508.A O no hydrogen 2.719 N/A ALA 483.A N THR 479.A O no hydrogen 2.798 N/A GLN 485.A N GLU 481.A O no hydrogen 2.802 N/A ILE 486.A N ALA 483.A O no hydrogen 2.827 N/A LEU 487.A N ALA 483.A O no hydrogen 3.242 N/A VAL 489.A N ILE 486.A O no hydrogen 3.217 N/A ASP 491.A N ASN 592.A OD1 no hydrogen 2.840 N/A ILE 501.A N TYR 507.A O no hydrogen 3.070 N/A TYR 507.A N ILE 501.A O no hydrogen 2.887 N/A TYR 508.A N LEU 478.A O no hydrogen 3.106 N/A TYR 508.A OH LEU 496.A O no hydrogen 3.297 N/A LYS 511.A NZ ASP 545.A OD1 no hydrogen 2.923 N/A LYS 511.A NZ ASP 545.A OD2 no hydrogen 3.382 N/A GLN 512.A NE2 GLU 498.A O no hydrogen 3.364 N/A VAL 514.A N GLY 510.A O no hydrogen 3.052 N/A SER 515.A N LYS 511.A O no hydrogen 3.156 N/A SER 515.A OG GLY 553.A O no hydrogen 2.798 N/A ALA 516.A N VAL 513.A O no hydrogen 3.237 N/A PHE 517.A N VAL 514.A O no hydrogen 3.492 N/A LEU 518.A N SER 515.A O no hydrogen 3.358 N/A LYS 520.A NZ LEU 518.A O no hydrogen 3.470 N/A LYS 520.A NZ GLY 553.A O no hydrogen 3.510 N/A ASP 521.A N PRO 519.A O no hydrogen 2.834 N/A PHE 522.A N PRO 519.A O no hydrogen 3.016 N/A ASN 523.A ND2 PHE 834.A O no hydrogen 3.450 N/A PHE 524.A N ILE 550.A O no hydrogen 2.703 N/A ALA 528.A N SER 546.A O no hydrogen 3.262 N/A VAL 530.A N ASP 561.A OD2 no hydrogen 3.127 N/A SER 531.A N ALA 528.A O no hydrogen 2.986 N/A SER 532.A OG VAL 530.A O no hydrogen 3.116 N/A ARG 535.A N SER 532.A O no hydrogen 2.734 N/A LEU 536.A N GLY 533.A O no hydrogen 3.182 N/A CYS 537.A N SER 531.A OG no hydrogen 2.797 N/A CYS 537.A SG ARG 535.A O no hydrogen 3.493 N/A CYS 537.A SG HIS 544.A O no hydrogen 3.824 N/A ASP 541.A N ASN 539.A OD1 no hydrogen 3.086 N/A CYS 542.A SG HIS 544.A O no hydrogen 3.614 N/A VAL 549.A N GLU 557.A O no hydrogen 3.150 N/A ILE 550.A N PHE 524.A O no hydrogen 2.984 N/A LYS 551.A N ILE 554.A O no hydrogen 3.094 N/A LYS 551.A NZ LYS 841.A O no hydrogen 3.328 N/A ASN 552.A N ASN 523.A OD1 no hydrogen 2.778 N/A GLY 553.A N PHE 522.A O no hydrogen 2.986 N/A ILE 554.A N LYS 551.A O no hydrogen 2.787 N/A LEU 556.A N VAL 549.A O no hydrogen 3.217 N/A GLU 557.A N VAL 549.A O no hydrogen 3.200 N/A GLY 558.A N ASP 545.A OD1 no hydrogen 3.058 N/A PHE 560.A N THR 472.A OG1 no hydrogen 2.700 N/A LYS 562.A NZ GLN 569.A OE1 no hydrogen 2.942 N/A ALA 564.A N ASP 561.A O no hydrogen 3.207 N/A ILE 565.A N ASP 561.A O no hydrogen 2.528 N/A GLN 568.A NE2 TYR 453.A OH no hydrogen 3.484 N/A GLU 571.A N HIS 575.A ND1 no hydrogen 3.154 N/A SER 572.A OG ALA 564.A O no hydrogen 3.540 N/A LEU 574.A N ALA 564.A O no hydrogen 3.331 N/A HIS 575.A N SER 572.A OG no hydrogen 3.097 N/A TRP 576.A N SER 572.A O no hydrogen 3.312 N/A LEU 577.A N ILE 573.A O no hydrogen 3.172 N/A ILE 578.A N LEU 574.A O no hydrogen 3.297 N/A ILE 578.A N HIS 575.A O no hydrogen 2.918 N/A LYS 579.A N HIS 575.A O no hydrogen 2.807 N/A GLU 580.A N TRP 576.A O no hydrogen 2.843 N/A TYR 581.A OH ASP 521.A OD1 no hydrogen 2.899 N/A GLY 586.A N SER 582.A O no hydrogen 3.190 N/A TRP 588.A N GLU 584.A O no hydrogen 3.437 N/A TRP 588.A NE1 ASP 491.A O no hydrogen 3.036 N/A LEU 589.A N TYR 585.A O no hydrogen 2.664 N/A MET 590.A N GLY 586.A O no hydrogen 3.192 N/A ASP 591.A N LYS 587.A O no hydrogen 3.118 N/A ASN 592.A N TRP 588.A O no hydrogen 3.005 N/A ASN 592.A N LEU 589.A O no hydrogen 2.895 N/A ASN 592.A ND2 TRP 588.A O no hydrogen 3.541 N/A LEU 593.A N LEU 589.A O no hydrogen 3.096 N/A ARG 595.A N ASN 592.A O no hydrogen 2.652 N/A VAL 596.A N ASN 592.A O no hydrogen 3.201 N/A PHE 597.A N LEU 593.A O no hydrogen 3.225 N/A ARG 599.A N ARG 595.A O no hydrogen 3.368 N/A PHE 600.A N VAL 596.A O no hydrogen 3.196 N/A GLU 602.A N ILE 598.A O no hydrogen 3.154 N/A LEU 603.A N PHE 600.A O no hydrogen 3.049 N/A GLN 604.A N PHE 600.A O no hydrogen 2.681 N/A GLY 605.A N VAL 601.A O no hydrogen 2.726 N/A MET 608.A N THR 607.A OG1 no hydrogen 2.578 N/A ARG 609.A N ASP 612.A OD2 no hydrogen 3.392 N/A ASP 612.A N ARG 609.A O no hydrogen 2.947 N/A VAL 613.A N LEU 610.A O no hydrogen 3.017 N/A SER 614.A OG LEU 610.A O no hydrogen 3.490 N/A LYS 620.A N ASP 617.A O no hydrogen 3.343 N/A TYR 624.A N LYS 620.A O no hydrogen 2.884 N/A ASN 625.A N GLU 622.A O no hydrogen 2.942 N/A GLU 626.A N ILE 623.A O no hydrogen 2.730 N/A ILE 627.A N ILE 623.A O no hydrogen 2.780 N/A ALA 630.A N GLU 626.A O no hydrogen 2.776 N/A LYS 631.A N ILE 627.A O no hydrogen 2.914 N/A LYS 631.A NZ GLU 739.A OE2 no hydrogen 3.486 N/A VAL 632.A N ASP 628.A O no hydrogen 3.181 N/A VAL 634.A N LYS 631.A O no hydrogen 3.015 N/A ASP 635.A N LYS 631.A O no hydrogen 2.754 N/A ASN 636.A N VAL 632.A O no hydrogen 3.215 N/A LEU 637.A N VAL 634.A O no hydrogen 3.100 N/A ILE 638.A N VAL 634.A O no hydrogen 2.812 N/A ILE 638.A N ASP 635.A O no hydrogen 2.832 N/A GLN 639.A N ASP 635.A O no hydrogen 3.323 N/A LYS 642.A N ILE 638.A O no hydrogen 3.226 N/A ASN 643.A N LYS 640.A O no hydrogen 3.178 N/A ASN 643.A ND2 GLU 645.A OE2 no hydrogen 3.177 N/A ARG 652.A NE GLY 651.A O no hydrogen 2.911 N/A ARG 652.A NH2 GLY 651.A O no hydrogen 3.300 N/A THR 653.A OG1 GLU 656.A OE1 no hydrogen 3.221 N/A SER 657.A N THR 653.A O no hydrogen 3.224 N/A SER 657.A OG LEU 654.A O no hydrogen 3.304 N/A ASN 660.A N GLU 656.A O no hydrogen 3.143 N/A TYR 661.A N SER 657.A O no hydrogen 3.109 N/A TYR 661.A OH GLU 647.A O no hydrogen 2.935 N/A ILE 662.A N LEU 658.A O no hydrogen 3.312 N/A LEU 663.A N GLU 659.A O no hydrogen 2.848 N/A ASP 664.A N ASN 660.A O no hydrogen 2.846 N/A THR 665.A N TYR 661.A O no hydrogen 3.084 N/A THR 665.A OG1 TYR 661.A O no hydrogen 2.658 N/A LEU 666.A N ILE 662.A O no hydrogen 3.174 N/A ASP 667.A N LEU 663.A O no hydrogen 2.823 N/A LYS 668.A N ASP 664.A O no hydrogen 2.730 N/A LEU 669.A N THR 665.A O no hydrogen 2.935 N/A ARG 670.A N ASP 667.A O no hydrogen 3.425 N/A ARG 670.A NH2 LEU 709.A O no hydrogen 2.687 N/A SER 671.A N ASP 667.A O no hydrogen 3.475 N/A SER 671.A OG ASP 667.A O no hydrogen 3.357 N/A SER 671.A OG LYS 668.A O no hydrogen 2.919 N/A THR 672.A N LYS 668.A O no hydrogen 3.427 N/A THR 672.A OG1 LYS 668.A O no hydrogen 2.794 N/A GLY 674.A N ARG 670.A O no hydrogen 3.015 N/A ASP 675.A N SER 671.A O no hydrogen 2.673 N/A ILE 676.A N THR 672.A O no hydrogen 3.193 N/A ALA 677.A N ALA 673.A O no hydrogen 3.265 N/A SER 678.A N ASP 675.A O no hydrogen 3.261 N/A SER 678.A OG GLY 674.A O no hydrogen 3.128 N/A LYS 679.A N ILE 676.A O no hydrogen 3.112 N/A TYR 680.A N ILE 676.A O no hydrogen 2.835 N/A PHE 684.A N ASP 682.A OD1 no hydrogen 2.879 N/A ASN 685.A N ASP 682.A O no hydrogen 3.401 N/A VAL 689.A N ASN 685.A O no hydrogen 2.809 N/A MET 690.A N PHE 686.A O no hydrogen 2.781 N/A ALA 691.A N ALA 687.A O no hydrogen 3.358 N/A ARG 692.A NH2 TYR 688.A OH no hydrogen 3.466 N/A THR 693.A OG1 VAL 689.A O no hydrogen 2.578 N/A SER 698.A OG SER 698.A O no hydrogen 2.532 N/A ASN 701.A N SER 698.A O no hydrogen 2.989 N/A ILE 702.A N VAL 699.A O no hydrogen 2.619 N/A ALA 706.A N ILE 702.A O no hydrogen 2.700 N/A ALA 706.A N THR 703.A O no hydrogen 3.180 N/A ALA 707.A N THR 703.A O no hydrogen 2.908 N/A MET 708.A N THR 703.A O no hydrogen 3.209 N/A GLY 710.A N ILE 744.A O no hydrogen 3.057 N/A GLN 711.A NE2 GLN 712.A O no hydrogen 2.822 N/A GLN 711.A NE2 ARG 741.A O no hydrogen 2.766 N/A GLN 712.A N GLY 742.A O no hydrogen 3.344 N/A ARG 715.A N GLU 766.A OE1 no hydrogen 3.125 N/A ARG 718.A NE GLU 659.A OE1 no hydrogen 2.955 N/A ARG 718.A NE GLU 659.A OE2 no hydrogen 3.259 N/A ARG 718.A NH1 ILE 736.A O no hydrogen 3.240 N/A ARG 718.A NH2 GLU 659.A OE2 no hydrogen 3.029 N/A ARG 718.A NH2 ILE 736.A O no hydrogen 2.888 N/A ILE 719.A N ARG 741.A O no hydrogen 2.936 N/A ARG 726.A NE PHE 731.A O no hydrogen 3.016 N/A ARG 726.A NH2 PRO 729.A O no hydrogen 3.441 N/A THR 727.A OG1 ILE 719.A O no hydrogen 2.902 N/A THR 727.A OG1 LYS 720.A O no hydrogen 3.017 N/A ASP 735.A N LYS 732.A O no hydrogen 3.088 N/A SER 737.A N ASP 735.A OD2 no hydrogen 2.844 N/A SER 737.A OG ASP 735.A OD2 no hydrogen 2.674 N/A SER 737.A OG GLU 739.A OE1 no hydrogen 2.759 N/A GLU 739.A N GLU 739.A OE1 no hydrogen 2.602 N/A ALA 740.A N SER 737.A O no hydrogen 2.900 N/A ARG 741.A N PRO 738.A O no hydrogen 3.168 N/A ARG 741.A NH1 THR 727.A OG1 no hydrogen 3.354 N/A ARG 741.A NH2 THR 725.A O no hydrogen 3.317 N/A PHE 743.A N PRO 738.A O no hydrogen 3.061 N/A ILE 744.A N GLY 710.A O no hydrogen 3.418 N/A TYR 745.A N GLU 756.A OE2 no hydrogen 3.081 N/A TYR 745.A OH GLU 739.A OE2 no hydrogen 3.340 N/A SER 746.A OG GLY 751.A O no hydrogen 3.059 N/A SER 746.A OG GLU 756.A OE1 no hydrogen 2.483 N/A SER 747.A OG ALA 706.A O no hydrogen 3.329 N/A SER 747.A OG THR 750.A OG1 no hydrogen 2.968 N/A PHE 748.A N GLN 704.A O no hydrogen 3.229 N/A ARG 749.A N SER 747.A OG no hydrogen 3.125 N/A THR 750.A N SER 747.A OG no hydrogen 2.980 N/A THR 750.A OG1 SER 747.A OG no hydrogen 2.968 N/A GLY 751.A N SER 747.A O no hydrogen 2.990 N/A LYS 753.A N GLU 756.A OE1 no hydrogen 3.062 N/A LEU 757.A N LYS 753.A O no hydrogen 3.222 N/A PHE 759.A N THR 755.A O no hydrogen 3.133 N/A HIS 760.A N GLU 756.A O no hydrogen 3.161 N/A ALA 761.A N LEU 757.A O no hydrogen 3.089 N/A ALA 762.A N PHE 758.A O no hydrogen 2.782 N/A GLY 763.A N PHE 759.A O no hydrogen 3.181 N/A GLY 764.A N HIS 760.A O no hydrogen 2.642 N/A GLU 766.A N GLY 763.A O no hydrogen 3.261 N/A VAL 769.A N ARG 765.A O no hydrogen 3.357 N/A ASP 770.A N GLU 766.A O no hydrogen 2.963 N/A ASP 770.A N GLY 767.A O no hydrogen 2.966 N/A THR 771.A N GLY 767.A O no hydrogen 2.856 N/A VAL 773.A N VAL 769.A O no hydrogen 3.103 N/A SER 776.A OG ALA 772.A O no hydrogen 3.375 N/A SER 778.A N ARG 774.A O no hydrogen 3.328 N/A GLY 779.A N THR 775.A O no hydrogen 3.054 N/A MET 781.A N GLN 777.A O no hydrogen 2.742 N/A GLN 782.A N SER 778.A O no hydrogen 2.689 N/A ARG 783.A N GLY 779.A O no hydrogen 3.357 N/A ARG 784.A N TYR 780.A O no hydrogen 3.211 N/A LEU 785.A N MET 781.A O no hydrogen 3.191 N/A LEU 785.A N GLN 782.A O no hydrogen 3.318 N/A ILE 786.A N GLN 782.A O no hydrogen 2.801 N/A ASN 787.A ND2 ARG 783.A O no hydrogen 2.908 N/A LEU 789.A N LEU 785.A O no hydrogen 2.805 N/A SER 790.A N ASN 787.A O no hydrogen 3.370 N/A SER 790.A OG ASN 787.A O no hydrogen 3.065 N/A SER 790.A OG ASP 791.A OD1 no hydrogen 3.277 N/A LEU 792.A N LEU 789.A O no hydrogen 3.380 N/A ARG 793.A N ARG 801.A O no hydrogen 3.070 N/A ARG 793.A NE GLU 795.A OE1 no hydrogen 3.014 N/A ARG 793.A NH2 GLU 795.A OE1 no hydrogen 3.258 N/A GLU 795.A N THR 799.A O no hydrogen 3.100 N/A GLY 798.A N GLU 795.A O no hydrogen 3.383 N/A THR 799.A OG1 ASP 797.A OD1 no hydrogen 2.732 N/A THR 799.A OG1 ASP 797.A OD2 no hydrogen 2.722 N/A VAL 800.A N GLN 809.A O no hydrogen 2.830 N/A ARG 801.A N ARG 793.A O no hydrogen 3.109 N/A ARG 801.A NH2 ASP 797.A OD2 no hydrogen 3.192 N/A SER 802.A N GLU 806.A O no hydrogen 3.079 N/A GLY 805.A N SER 802.A O no hydrogen 2.839 N/A GLU 806.A N SER 802.A OG no hydrogen 3.420 N/A ILE 808.A N VAL 800.A O no hydrogen 2.912 N/A GLN 809.A N VAL 800.A O no hydrogen 3.002 N/A TYR 812.A N GLY 798.A O no hydrogen 3.056 N/A GLY 813.A N GLN 809.A OE1 no hydrogen 3.302 N/A ASP 814.A N ALA 811.A O no hydrogen 3.352 N/A ASP 815.A N GLY 813.A O no hydrogen 2.346 N/A GLY 816.A N TYR 812.A O no hydrogen 2.802 N/A TYR 821.A N PHE 818.A O no hydrogen 2.921 N/A SER 822.A N PRO 819.A O no hydrogen 2.994 N/A SER 822.A OG PRO 819.A O no hydrogen 2.650 N/A SER 822.A OG HIS 824.A O no hydrogen 3.415 N/A ASN 831.A N VAL 828.A O no hydrogen 2.837 N/A ASN 831.A ND2 GLU 580.A OE2 no hydrogen 3.519 N/A ARG 832.A NH1 VAL 828.A O no hydrogen 2.759 N/A ARG 832.A NH2 VAL 828.A O no hydrogen 2.376 N/A PHE 834.A N ASN 831.A O no hydrogen 2.639 N/A GLU 835.A N ARG 832.A O no hydrogen 2.597 N/A ARG 836.A N ARG 832.A O no hydrogen 2.889 N/A ARG 836.A NH1 ASP 521.A O no hydrogen 3.532 N/A ARG 836.A NH1 ASP 521.A OD2 no hydrogen 3.413 N/A ARG 836.A NH2 ASP 521.A OD2 no hydrogen 2.963 N/A GLY 839.A N VAL 837.A O no hydrogen 2.320 N/A LYS 841.A N VAL 838.A O no hydrogen 2.715 N/A