Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1smy_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ILE 902.A O no hydrogen 3.243 N/A ARG 8.A NE GLY 7.A O no hydrogen 3.449 N/A GLU 20.A N PRO 17.A O no hydrogen 2.986 N/A GLN 22.A NE2 ILE 136.A O no hydrogen 2.891 N/A VAL 23.A N THR 19.A O no hydrogen 2.961 N/A GLU 24.A N GLU 20.A O no hydrogen 2.804 N/A TYR 26.A N GLN 22.A O no hydrogen 3.181 N/A TYR 26.A OH PRO 119.A O no hydrogen 3.257 N/A ARG 27.A N VAL 23.A O no hydrogen 2.945 N/A ARG 28.A N GLU 24.A O no hydrogen 2.902 N/A ALA 29.A N SER 25.A O no hydrogen 2.852 N/A LEU 30.A N TYR 26.A O no hydrogen 2.931 N/A GLN 31.A NE2 GLU 40.A O no hydrogen 3.203 N/A ALA 32.A N LEU 30.A O no hydrogen 2.557 N/A LYS 38.A N PRO 35.A O no hydrogen 2.863 N/A ILE 44.A N ALA 29.A O no hydrogen 3.193 N/A ALA 46.A N VAL 42.A O no hydrogen 3.287 N/A ALA 47.A N GLY 43.A O no hydrogen 2.567 N/A PHE 48.A N ILE 44.A O no hydrogen 2.606 N/A ARG 49.A N GLN 45.A O no hydrogen 2.927 N/A GLU 50.A N ALA 46.A O no hydrogen 2.852 N/A THR 51.A N ALA 47.A O no hydrogen 3.263 N/A GLU 56.A N ILE 54.A O no hydrogen 3.237 N/A GLY 63.A N GLU 56.A O no hydrogen 3.368 N/A LEU 64.A N GLU 56.A O no hydrogen 3.284 N/A ASP 67.A N GLN 99.A O no hydrogen 3.378 N/A LEU 69.A N ARG 97.A O no hydrogen 3.014 N/A TYR 71.A OH GLN 31.A O no hydrogen 2.737 N/A CYS 83.A N PRO 79.A O no hydrogen 2.902 N/A CYS 83.A SG PRO 79.A O no hydrogen 2.782 N/A ARG 84.A N GLN 80.A O no hydrogen 3.058 N/A ARG 84.A N ASP 81.A O no hydrogen 2.881 N/A GLU 85.A N ASP 81.A O no hydrogen 2.893 N/A LYS 86.A N GLU 82.A O no hydrogen 2.761 N/A LEU 88.A N CYS 83.A O no hydrogen 3.354 N/A TYR 90.A N ILE 128.A O no hydrogen 3.003 N/A ALA 92.A N ILE 118.A O no hydrogen 2.733 N/A ARG 97.A N GLU 70.A O no hydrogen 2.652 N/A LEU 98.A N ASP 111.A O no hydrogen 3.289 N/A LEU 100.A N ILE 108.A O no hydrogen 3.423 N/A ILE 101.A N VAL 65.A O no hydrogen 3.090 N/A ASP 111.A N LYS 109.A O no hydrogen 2.877 N/A GLY 116.A N GLU 379.A OE1 no hydrogen 2.828 N/A HIS 117.A N GLU 379.A OE2 no hydrogen 2.639 N/A THR 122.A N SER 126.A O no hydrogen 2.704 N/A THR 122.A OG1 SER 126.A O no hydrogen 3.032 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.800 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.981 N/A SER 126.A OG ASP 124.A OD2 no hydrogen 3.125 N/A PHE 127.A N ARG 134.A O no hydrogen 2.942 N/A ASP 133.A N ASN 632.A OD1 no hydrogen 3.397 N/A ARG 134.A N PHE 127.A O no hydrogen 3.094 N/A ARG 134.A NH1 SER 387.A O no hydrogen 3.380 N/A ARG 134.A NH2 SER 387.A O no hydrogen 3.451 N/A VAL 135.A N GLN 393.A O no hydrogen 3.267 N/A VAL 137.A N LEU 391.A O no hydrogen 3.321 N/A SER 138.A N ARG 409.A O no hydrogen 3.334 N/A SER 138.A OG ARG 409.A O no hydrogen 2.536 N/A GLN 139.A NE2 ALA 412.A O no hydrogen 3.165 N/A HIS 141.A N ARG 332.A O no hydrogen 3.129 N/A HIS 141.A ND1 ARG 332.A O no hydrogen 3.124 N/A SER 143.A N ASN 330.A O no hydrogen 3.357 N/A SER 143.A OG TYR 147.A OH no hydrogen 2.811 N/A SER 143.A OG ASN 330.A O no hydrogen 2.918 N/A TYR 147.A N SER 161.A O no hydrogen 2.958 N/A PHE 148.A N ASP 323.A OD2 no hydrogen 3.047 N/A ARG 154.A NH1 GLU 177.A OE2 no hydrogen 2.715 N/A ARG 154.A NH2 VAL 176.A O no hydrogen 3.184 N/A GLY 156.A N ARG 154.A O no hydrogen 2.619 N/A ILE 159.A N THR 149.A O no hydrogen 3.118 N/A ALA 160.A N LEU 174.A O no hydrogen 2.900 N/A SER 161.A N TYR 147.A O no hydrogen 2.967 N/A ILE 162.A N ILE 172.A O no hydrogen 2.942 N/A ILE 163.A N GLY 145.A O no hydrogen 2.894 N/A ASP 173.A N LYS 185.A O no hydrogen 3.012 N/A LEU 174.A N ALA 160.A O no hydrogen 3.461 N/A GLU 175.A N SER 183.A O no hydrogen 2.847 N/A GLU 177.A N VAL 181.A O no hydrogen 2.920 N/A SER 183.A N GLU 175.A O no hydrogen 2.555 N/A LYS 185.A N ASP 173.A O no hydrogen 2.918 N/A LYS 188.A NZ LYS 188.A O no hydrogen 3.447 N/A LEU 197.A N LEU 193.A O no hydrogen 3.305 N/A ARG 198.A N VAL 194.A O no hydrogen 2.730 N/A ARG 198.A NH1 ASP 203.A OD2 no hydrogen 2.817 N/A ARG 198.A NH2 ASP 203.A OD2 no hydrogen 3.090 N/A VAL 199.A N LEU 195.A O no hydrogen 3.408 N/A LEU 200.A N LEU 196.A O no hydrogen 3.079 N/A GLY 201.A N ARG 198.A O no hydrogen 2.780 N/A LEU 207.A N ASP 203.A O no hydrogen 2.967 N/A ALA 208.A N GLN 204.A O no hydrogen 2.764 N/A ARG 209.A N GLU 205.A O no hydrogen 3.216 N/A GLU 210.A N THR 206.A O no hydrogen 3.378 N/A LEU 211.A N LEU 207.A O no hydrogen 2.939 N/A LEU 217.A N GLU 216.A OE1 no hydrogen 3.249 N/A VAL 218.A N GLY 215.A O no hydrogen 2.948 N/A GLN 219.A N GLU 216.A O no hydrogen 3.093 N/A GLN 219.A NE2 GLU 216.A O no hydrogen 3.282 N/A GLY 220.A N LEU 217.A O no hydrogen 2.744 N/A LEU 221.A N VAL 218.A O no hydrogen 2.933 N/A MET 222.A N VAL 218.A O no hydrogen 3.363 N/A SER 225.A N ASP 223.A O no hydrogen 2.620 N/A ALA 228.A N GLU 224.A O no hydrogen 3.390 N/A ARG 230.A N PHE 227.A O no hydrogen 3.350 N/A ALA 234.A N ARG 230.A O no hydrogen 3.107 N/A ALA 234.A N PRO 231.A O no hydrogen 2.793 N/A LEU 235.A N GLU 232.A O no hydrogen 3.125 N/A ARG 237.A N GLU 233.A O no hydrogen 2.814 N/A LEU 238.A N ALA 234.A O no hydrogen 2.882 N/A PHE 239.A N LEU 235.A O no hydrogen 3.269 N/A THR 240.A N ILE 236.A O no hydrogen 2.897 N/A THR 240.A OG1 ILE 236.A O no hydrogen 2.702 N/A LEU 241.A N ARG 237.A O no hydrogen 3.052 N/A LEU 242.A N LEU 238.A O no hydrogen 3.097 N/A LEU 242.A N PHE 239.A O no hydrogen 3.193 N/A ALA 253.A N ARG 250.A O no hydrogen 2.917 N/A TYR 256.A N ALA 253.A O no hydrogen 2.821 N/A LEU 260.A N TYR 256.A O no hydrogen 3.073 N/A ARG 265.A NE TYR 267.A O no hydrogen 3.314 N/A ARG 265.A NH2 TYR 267.A O no hydrogen 3.328 N/A ARG 266.A NH1 ILE 163.A O no hydrogen 3.550 N/A ARG 266.A NH2 ILE 163.A O no hydrogen 3.569 N/A ALA 272.A N ASP 268.A O no hydrogen 3.399 N/A LYS 276.A NZ PRO 144.A O no hydrogen 2.626 N/A ALA 277.A N GLY 273.A O no hydrogen 3.063 N/A GLU 278.A N ARG 274.A O no hydrogen 2.636 N/A GLU 279.A N TYR 275.A O no hydrogen 2.908 N/A LYS 280.A N LYS 276.A O no hydrogen 3.172 N/A LYS 280.A NZ TYR 147.A OH no hydrogen 2.988 N/A LYS 280.A NZ ASN 330.A OD1 no hydrogen 3.163 N/A LEU 281.A N ALA 277.A O no hydrogen 2.675 N/A SER 286.A N GLU 301.A OE1 no hydrogen 3.128 N/A SER 286.A OG GLU 301.A OE1 no hydrogen 3.152 N/A THR 306.A N VAL 302.A O no hydrogen 3.353 N/A THR 306.A OG1 PHE 303.A O no hydrogen 2.613 N/A ARG 308.A N LEU 304.A O no hydrogen 2.851 N/A TYR 309.A N PRO 305.A O no hydrogen 2.739 N/A TYR 309.A OH GLU 321.A OE2 no hydrogen 2.883 N/A LEU 310.A N THR 306.A O no hydrogen 2.980 N/A PHE 311.A N LEU 307.A O no hydrogen 2.713 N/A ALA 312.A N ARG 308.A O no hydrogen 2.877 N/A LEU 313.A N TYR 309.A O no hydrogen 2.539 N/A THR 314.A N LEU 310.A O no hydrogen 2.766 N/A THR 314.A OG1 LEU 310.A O no hydrogen 2.512 N/A THR 314.A OG1 PHE 311.A O no hydrogen 2.741 N/A ALA 315.A N ALA 312.A O no hydrogen 2.862 N/A HIS 327.A N ASP 324.A O no hydrogen 2.843 N/A HIS 327.A NE2 ASP 492.A OD1 no hydrogen 2.658 N/A HIS 327.A NE2 ASP 492.A OD2 no hydrogen 2.713 N/A GLY 329.A N HIS 327.A ND1 no hydrogen 3.060 N/A ASN 330.A N HIS 327.A O no hydrogen 2.859 N/A ASN 330.A ND2 ASP 324.A O no hydrogen 3.245 N/A ARG 331.A N HIS 327.A O no hydrogen 3.168 N/A ARG 332.A N HIS 141.A O no hydrogen 2.948 N/A ILE 333.A N GLY 465.A O no hydrogen 2.569 N/A ARG 334.A N GLN 139.A O no hydrogen 2.773 N/A ARG 334.A NE GLU 338.A OE1 no hydrogen 3.104 N/A ARG 334.A NH2 GLU 338.A OE1 no hydrogen 3.467 N/A ARG 334.A NH2 ASP 342.A OD2 no hydrogen 3.188 N/A GLY 337.A N SER 25.A OG no hydrogen 2.547 N/A LEU 339.A N THR 335.A O no hydrogen 3.262 N/A MET 340.A N VAL 336.A O no hydrogen 2.883 N/A MET 340.A N GLY 337.A O no hydrogen 3.005 N/A THR 341.A N GLY 337.A O no hydrogen 2.669 N/A ASP 342.A N GLU 338.A O no hydrogen 2.796 N/A PHE 344.A N MET 340.A O no hydrogen 2.681 N/A ARG 345.A N THR 341.A O no hydrogen 2.816 N/A VAL 346.A N ASP 342.A O no hydrogen 2.957 N/A GLY 347.A N GLN 343.A O no hydrogen 3.111 N/A LEU 348.A N PHE 344.A O no hydrogen 3.105 N/A ALA 349.A N ARG 345.A O no hydrogen 2.987 N/A ARG 350.A N VAL 346.A O no hydrogen 3.236 N/A LEU 351.A N GLY 347.A O no hydrogen 2.934 N/A ALA 352.A N LEU 348.A O no hydrogen 3.000 N/A ARG 353.A N ALA 349.A O no hydrogen 2.702 N/A GLY 354.A N ARG 350.A O no hydrogen 3.333 N/A GLY 354.A N LEU 351.A O no hydrogen 2.974 N/A VAL 355.A N LEU 351.A O no hydrogen 2.845 N/A GLU 357.A N GLY 354.A O no hydrogen 3.246 N/A ARG 358.A N VAL 355.A O no hydrogen 2.822 N/A ARG 358.A NH2 ASN 374.A OD1 no hydrogen 2.947 N/A MET 359.A N ARG 356.A O no hydrogen 3.279 N/A GLY 362.A N ARG 358.A O no hydrogen 3.215 N/A LEU 367.A N ASP 365.A O no hydrogen 2.685 N/A THR 368.A OG1 ILE 108.A O no hydrogen 2.934 N/A LEU 372.A N PRO 369.A O no hydrogen 3.297 N/A GLU 379.A N SER 375.A O no hydrogen 3.254 N/A ALA 380.A N ARG 376.A O no hydrogen 3.253 N/A ALA 381.A N PRO 377.A O no hydrogen 3.023 N/A ILE 382.A N LEU 378.A O no hydrogen 3.347 N/A ARG 383.A N GLU 379.A O no hydrogen 2.963 N/A ARG 383.A NH1 THR 89.A OG1 no hydrogen 2.755 N/A ARG 383.A NH1 ASN 130.A OD1 no hydrogen 3.453 N/A ARG 383.A NH2 ASN 130.A OD1 no hydrogen 2.639 N/A GLU 384.A N ALA 380.A O no hydrogen 2.908 N/A PHE 385.A N ALA 381.A O no hydrogen 3.006 N/A PHE 386.A N ILE 382.A O no hydrogen 3.028 N/A PHE 386.A N ARG 383.A O no hydrogen 3.020 N/A SER 387.A N ARG 383.A O no hydrogen 2.892 N/A SER 387.A OG ARG 383.A O no hydrogen 2.504 N/A ARG 388.A N GLU 384.A O no hydrogen 2.666 N/A SER 389.A N GLU 384.A O no hydrogen 2.940 N/A LEU 391.A N SER 389.A OG no hydrogen 2.990 N/A SER 392.A N SER 389.A O no hydrogen 2.772 N/A SER 392.A OG VAL 135.A O no hydrogen 2.980 N/A LYS 395.A N ASP 133.A O no hydrogen 2.894 N/A LYS 395.A NZ ASP 124.A OD1 no hydrogen 2.684 N/A LYS 395.A NZ SER 126.A OG no hydrogen 2.752 N/A THR 398.A N ASP 396.A OD1 no hydrogen 3.489 N/A THR 398.A OG1 ASP 396.A OD1 no hydrogen 3.203 N/A ASN 399.A ND2 GLN 565.A O no hydrogen 3.420 N/A ASN 399.A ND2 ALA 568.A O no hydrogen 2.646 N/A LEU 401.A N ASN 399.A OD1 no hydrogen 2.887 N/A SER 402.A OG ASN 399.A O no hydrogen 3.192 N/A SER 402.A OG THR 566.A O no hydrogen 2.918 N/A SER 403.A N ASN 399.A O no hydrogen 3.331 N/A LEU 404.A N PRO 400.A O no hydrogen 2.812 N/A ARG 405.A N LEU 401.A O no hydrogen 2.675 N/A ARG 405.A NE THR 566.A OG1 no hydrogen 2.850 N/A HIS 406.A N SER 402.A O no hydrogen 2.977 N/A LYS 407.A N SER 403.A O no hydrogen 2.959 N/A LYS 407.A NZ SER 403.A OG no hydrogen 3.255 N/A ARG 408.A N LEU 404.A O no hydrogen 3.323 N/A ARG 408.A N ARG 405.A O no hydrogen 2.937 N/A ARG 408.A NH2 LEU 18.A O no hydrogen 3.499 N/A ILE 410.A N THR 453.A O no hydrogen 2.700 N/A SER 411.A N SER 138.A O no hydrogen 3.020 N/A SER 411.A OG LEU 413.A O no hydrogen 3.487 N/A ALA 412.A N LEU 451.A O no hydrogen 2.863 N/A THR 419.A OG1 ARG 420.A O no hydrogen 3.422 N/A ARG 428.A N GLY 424.A O no hydrogen 2.519 N/A HIS 434.A N HIS 431.A O no hydrogen 3.179 N/A TYR 435.A N THR 433.A O no hydrogen 2.536 N/A ARG 437.A NE ILE 467.A O no hydrogen 2.865 N/A ARG 437.A NH1 THR 433.A O no hydrogen 3.563 N/A ARG 437.A NH1 TYR 435.A O no hydrogen 3.297 N/A ARG 437.A NH1 GLU 491.A OE2 no hydrogen 2.595 N/A CYS 439.A SG SER 541.A OG no hydrogen 3.112 N/A CYS 439.A SG THR 544.A OG1 no hydrogen 2.955 N/A THR 443.A OG1 ILE 452.A O no hydrogen 3.380 N/A GLY 450.A N THR 443.A OG1 no hydrogen 2.801 N/A THR 453.A N ILE 410.A O no hydrogen 2.660 N/A ALA 457.A N PHE 540.A O no hydrogen 2.484 N/A ALA 459.A N ALA 456.A O no hydrogen 3.096 N/A ARG 460.A N ARG 468.A O no hydrogen 3.227 N/A ARG 468.A N ARG 460.A O no hydrogen 3.118 N/A ARG 468.A NH1 TYR 485.A O no hydrogen 2.790 N/A ARG 468.A NH2 ASP 462.A OD2 no hydrogen 2.816 N/A THR 469.A OG1 PRO 470.A O no hydrogen 3.088 N/A TYR 471.A OH GLU 491.A OE1 no hydrogen 3.067 N/A ARG 472.A N MET 532.A O no hydrogen 2.766 N/A ARG 472.A NH2 VAL 534.A O no hydrogen 3.238 N/A ARG 473.A N GLU 482.A O no hydrogen 3.285 N/A VAL 474.A N GLU 530.A O no hydrogen 2.823 N/A VAL 478.A N VAL 475.A O no hydrogen 2.974 N/A VAL 479.A N ASN 506.A O no hydrogen 2.564 N/A THR 480.A N ARG 473.A O no hydrogen 2.730 N/A THR 480.A OG1 ARG 473.A O no hydrogen 2.929 N/A VAL 484.A N TYR 471.A O no hydrogen 2.828 N/A MET 486.A N THR 469.A O no hydrogen 3.330 N/A THR 487.A OG1 TYR 275.A OH no hydrogen 3.223 N/A THR 489.A OG1 TYR 275.A OH no hydrogen 3.319 N/A GLU 490.A N THR 487.A OG1 no hydrogen 2.764 N/A GLU 491.A N THR 487.A O no hydrogen 3.141 N/A ASP 492.A N THR 489.A O no hydrogen 3.105 N/A ARG 493.A NH1 GLU 490.A OE2 no hydrogen 2.807 N/A TYR 494.A N GLU 491.A O no hydrogen 3.001 N/A TYR 494.A OH GLU 490.A OE2 no hydrogen 3.093 N/A THR 495.A N GLU 530.A OE2 no hydrogen 2.969 N/A ALA 497.A N PHE 531.A O no hydrogen 2.795 N/A GLN 498.A NE2 ASP 533.A OD2 no hydrogen 2.812 N/A THR 501.A N ALA 499.A O no hydrogen 2.729 N/A THR 501.A OG1 GLN 498.A O no hydrogen 3.250 N/A GLU 504.A N ARG 507.A O no hydrogen 2.842 N/A ILE 508.A N GLY 477.A O no hydrogen 3.335 N/A VAL 513.A N VAL 524.A O no hydrogen 3.014 N/A ARG 516.A N ILE 496.A O no hydrogen 2.610 N/A GLU 520.A N ARG 517.A O no hydrogen 3.040 N/A VAL 522.A N ALA 515.A O no hydrogen 2.776 N/A VAL 524.A N VAL 513.A O no hydrogen 2.927 N/A GLU 528.A N SER 525.A O no hydrogen 2.773 N/A VAL 529.A N SER 525.A O no hydrogen 3.310 N/A GLU 530.A N THR 495.A O no hydrogen 3.202 N/A PHE 531.A N THR 495.A O no hydrogen 3.435 N/A MET 532.A N ARG 472.A O no hydrogen 2.807 N/A ASP 533.A N ALA 497.A O no hydrogen 2.728 N/A LYS 537.A NZ GLU 11.A OE2 no hydrogen 3.045 N/A GLN 538.A N SER 535.A O no hydrogen 3.053 N/A GLN 538.A NE2 SER 535.A O no hydrogen 3.694 N/A VAL 539.A N PRO 536.A O no hydrogen 2.732 N/A SER 541.A OG GLU 442.A OE1 no hydrogen 2.705 N/A SER 541.A OG THR 544.A OG1 no hydrogen 2.791 N/A ASN 543.A ND2 THR 566.A OG1 no hydrogen 3.424 N/A THR 544.A N SER 541.A OG no hydrogen 3.092 N/A THR 544.A OG1 GLU 442.A OE2 no hydrogen 3.499 N/A THR 544.A OG1 SER 541.A OG no hydrogen 2.791 N/A THR 544.A OG1 SER 562.A OG no hydrogen 3.062 N/A ASN 545.A N SER 541.A O no hydrogen 3.049 N/A ASN 545.A ND2 LYS 537.A O no hydrogen 2.882 N/A ASN 545.A ND2 SER 541.A O no hydrogen 2.954 N/A ILE 547.A N THR 544.A O no hydrogen 2.974 N/A HIS 552.A N PHE 549.A O no hydrogen 2.681 N/A ASP 553.A N LEU 550.A O no hydrogen 2.731 N/A ASP 554.A N MET 880.A O no hydrogen 2.832 N/A ARG 557.A NE GLY 844.A O no hydrogen 3.548 N/A ALA 558.A N ASP 554.A O no hydrogen 3.076 N/A LEU 559.A N ASN 556.A O no hydrogen 3.349 N/A GLY 561.A N ARG 557.A O no hydrogen 3.201 N/A SER 562.A N ALA 558.A O no hydrogen 2.844 N/A SER 562.A OG THR 544.A OG1 no hydrogen 3.062 N/A SER 562.A OG ALA 558.A O no hydrogen 3.205 N/A ASN 563.A N LEU 559.A O no hydrogen 2.794 N/A MET 564.A N MET 560.A O no hydrogen 2.706 N/A GLN 565.A N GLY 561.A O no hydrogen 3.207 N/A GLN 565.A NE2 GLY 561.A O no hydrogen 3.098 N/A THR 566.A N ASN 563.A O no hydrogen 2.947 N/A THR 566.A OG1 ASN 563.A O no hydrogen 3.341 N/A GLN 567.A N MET 564.A O no hydrogen 2.700 N/A ALA 568.A N GLN 565.A O no hydrogen 2.846 N/A ILE 572.A N THR 701.A O no hydrogen 3.387 N/A MET 580.A N TYR 901.A O no hydrogen 2.580 N/A THR 581.A OG1 ASN 545.A O no hydrogen 3.481 N/A GLY 582.A N GLU 584.A OE1 no hydrogen 2.947 N/A VAL 587.A N LEU 583.A O no hydrogen 2.782 N/A VAL 588.A N GLU 584.A O no hydrogen 3.313 N/A ARG 589.A N GLU 585.A O no hydrogen 3.139 N/A ASP 590.A N ARG 586.A O no hydrogen 2.677 N/A SER 591.A N VAL 587.A O no hydrogen 2.622 N/A SER 591.A OG VAL 587.A O no hydrogen 2.798 N/A SER 591.A OG VAL 588.A O no hydrogen 3.133 N/A ALA 593.A N VAL 588.A O no hydrogen 3.162 N/A LEU 595.A N ALA 656.A O no hydrogen 2.912 N/A ASP 600.A N GLU 599.A OE1 no hydrogen 2.810 N/A GLY 601.A N VAL 649.A O no hydrogen 3.253 N/A GLU 602.A N ARG 614.A O no hydrogen 2.612 N/A VAL 603.A N GLN 647.A O no hydrogen 3.052 N/A ALA 604.A N VAL 612.A O no hydrogen 2.955 N/A LYS 605.A N VAL 612.A O no hydrogen 3.197 N/A ASP 607.A N ARG 610.A O no hydrogen 2.617 N/A ARG 610.A N ASP 607.A O no hydrogen 3.100 N/A ILE 611.A N TYR 623.A O no hydrogen 3.302 N/A VAL 613.A N VAL 621.A O no hydrogen 3.165 N/A ARG 614.A N GLU 602.A O no hydrogen 2.505 N/A TYR 615.A OH TYR 623.A OH no hydrogen 3.021 N/A GLU 616.A N ASP 600.A O no hydrogen 3.009 N/A GLY 618.A N TYR 615.A O no hydrogen 3.305 N/A VAL 621.A N VAL 613.A O no hydrogen 3.150 N/A LEU 625.A N ASN 609.A O no hydrogen 3.022 N/A ARG 627.A NE LEU 625.A O no hydrogen 3.027 N/A ARG 627.A NH2 LEU 625.A O no hydrogen 2.750 N/A ARG 630.A NH1 SER 631.A O no hydrogen 2.687 N/A ARG 630.A NH1 ASN 632.A O no hydrogen 3.241 N/A SER 631.A OG THR 635.A O no hydrogen 2.769 N/A SER 631.A OG THR 635.A OG1 no hydrogen 2.989 N/A ASN 632.A N GLU 397.A OE2 no hydrogen 3.123 N/A GLN 633.A NE2 LYS 395.A O no hydrogen 3.362 N/A GLY 634.A N SER 631.A O no hydrogen 2.695 N/A THR 635.A OG1 THR 398.A O no hydrogen 2.681 N/A THR 635.A OG1 SER 631.A OG no hydrogen 2.989 N/A GLN 639.A NE2 LEU 637.A O no hydrogen 3.280 N/A ARG 642.A N LEU 655.A O no hydrogen 3.162 N/A ARG 642.A NE ASP 657.A OD2 no hydrogen 3.133 N/A VAL 644.A N GLN 647.A OE1 no hydrogen 3.114 N/A VAL 649.A N GLY 601.A O no hydrogen 2.530 N/A LYS 651.A N ASP 600.A OD1 no hydrogen 2.852 N/A GLY 652.A N ALA 597.A O no hydrogen 2.475 N/A LEU 655.A N LEU 595.A O no hydrogen 2.705 N/A ALA 656.A N LEU 595.A O no hydrogen 3.431 N/A ASP 657.A N ARG 640.A O no hydrogen 3.269 N/A GLY 658.A N SER 661.A OG no hydrogen 3.079 N/A SER 661.A N GLY 658.A O no hydrogen 3.447 N/A GLU 662.A N PHE 665.A O no hydrogen 3.161 N/A GLY 664.A N ASP 657.A OD1 no hydrogen 2.756 N/A GLN 670.A N ILE 994.A O no hydrogen 2.882 N/A GLN 670.A NE2 PHE 699.A O no hydrogen 2.724 N/A VAL 674.A N GLY 990.A O no hydrogen 2.821 N/A ALA 675.A N VAL 869.A O no hydrogen 2.837 N/A GLY 681.A N PHE 679.A O no hydrogen 2.568 N/A ASN 683.A ND2 MET 677.A O no hydrogen 3.192 N/A ASN 683.A ND2 ILE 870.A O no hydrogen 3.409 N/A PHE 684.A N GLY 681.A O no hydrogen 3.063 N/A ILE 688.A N VAL 848.A O no hydrogen 2.961 N/A ILE 690.A N LYS 851.A O no hydrogen 2.819 N/A SER 691.A N ASP 868.A O no hydrogen 2.878 N/A GLU 692.A N LEU 853.A O no hydrogen 2.695 N/A LEU 694.A N SER 691.A O no hydrogen 2.620 N/A LEU 695.A N GLU 692.A O no hydrogen 2.751 N/A LYS 696.A N GLU 692.A O no hydrogen 3.039 N/A LYS 696.A NZ GLU 693.A OE1 no hydrogen 3.478 N/A ARG 697.A N GLU 693.A O no hydrogen 3.277 N/A PHE 699.A N ARG 697.A O no hydrogen 2.480 N/A TYR 700.A OH ILE 994.A O no hydrogen 2.751 N/A SER 702.A N ARG 831.A O no hydrogen 2.646 N/A HIS 704.A N GLN 829.A O no hydrogen 3.153 N/A ILE 705.A N GLY 634.A O no hydrogen 3.199 N/A GLU 706.A N VAL 827.A O no hydrogen 2.714 N/A ARG 707.A NE ARG 707.A O no hydrogen 3.096 N/A TYR 708.A N VAL 825.A O no hydrogen 3.211 N/A TYR 708.A OH GLU 796.A O no hydrogen 3.422 N/A ILE 710.A N VAL 823.A O no hydrogen 2.999 N/A ALA 712.A N GLU 821.A O no hydrogen 2.615 N/A ARG 713.A N GLU 720.A OE1 no hydrogen 2.638 N/A ASP 714.A N GLY 818.A O no hydrogen 2.748 N/A GLY 718.A N THR 715.A O no hydrogen 2.912 N/A GLU 720.A N ARG 713.A O no hydrogen 3.030 N/A ARG 721.A N THR 759.A O no hydrogen 2.930 N/A ASP 725.A N THR 723.A OG1 no hydrogen 3.321 N/A ALA 732.A N SER 730.A OG no hydrogen 2.849 N/A LEU 734.A N GLU 731.A O no hydrogen 2.705 N/A ARG 735.A N GLU 731.A O no hydrogen 3.058 N/A LEU 737.A N LEU 734.A O no hydrogen 2.700 N/A ASP 738.A N ARG 735.A O no hydrogen 2.670 N/A ARG 744.A N ASP 736.A O no hydrogen 2.713 N/A ARG 744.A NH1 ASP 738.A OD2 no hydrogen 3.225 N/A GLY 746.A N VAL 800.A O no hydrogen 3.313 N/A VAL 749.A N GLY 798.A O no hydrogen 2.978 N/A LYS 750.A N ASP 753.A OD2 no hydrogen 3.063 N/A GLY 752.A N VAL 792.A O no hydrogen 2.750 N/A ASP 753.A N LYS 750.A O no hydrogen 3.037 N/A LEU 755.A N LEU 790.A O no hydrogen 2.788 N/A ARG 758.A N SER 789.A OG no hydrogen 2.759 N/A THR 759.A N ARG 721.A O no hydrogen 2.882 N/A THR 759.A OG1 ARG 721.A O no hydrogen 3.259 N/A SER 765.A OG GLU 764.A O no hydrogen 2.618 N/A ARG 772.A N THR 768.A O no hydrogen 2.773 N/A LEU 774.A N GLU 770.A O no hydrogen 3.468 N/A ARG 775.A N GLU 771.A O no hydrogen 3.121 N/A SER 776.A N ARG 772.A O no hydrogen 3.229 N/A SER 776.A OG ARG 772.A O no hydrogen 3.376 N/A ILE 777.A N LEU 773.A O no hydrogen 3.031 N/A GLY 779.A N ARG 775.A O no hydrogen 2.646 N/A VAL 785.A N ARG 783.A O no hydrogen 2.503 N/A LYS 786.A N SER 760.A O no hydrogen 3.134 N/A THR 788.A N ARG 758.A O no hydrogen 3.254 N/A SER 789.A OG ARG 758.A O no hydrogen 3.505 N/A SER 789.A OG ASP 787.A OD1 no hydrogen 2.982 N/A LEU 790.A N VAL 756.A O no hydrogen 2.944 N/A ARG 791.A NH1 GLY 752.A O no hydrogen 3.285 N/A ARG 791.A NH2 ASP 787.A OD2 no hydrogen 3.527 N/A VAL 792.A N ASP 753.A O no hydrogen 2.951 N/A GLY 797.A N GLU 796.A OE2 no hydrogen 3.082 N/A ILE 799.A N ALA 828.A O no hydrogen 2.735 N/A VAL 800.A N ALA 747.A O no hydrogen 2.898 N/A VAL 801.A N TYR 826.A O no hydrogen 3.126 N/A VAL 804.A N ARG 824.A O no hydrogen 2.776 N/A ARG 805.A NE GLU 821.A OE2 no hydrogen 2.971 N/A LEU 806.A N VAL 822.A O no hydrogen 3.279 N/A LYS 816.A NZ GLU 711.A OE2 no hydrogen 3.078 N/A ARG 820.A N ALA 712.A O no hydrogen 2.475 N/A VAL 823.A N ILE 710.A O no hydrogen 2.718 N/A ARG 824.A N VAL 804.A O no hydrogen 2.850 N/A ARG 824.A NH1 GLU 85.A O no hydrogen 3.544 N/A VAL 825.A N TYR 708.A O no hydrogen 3.045 N/A TYR 826.A N ARG 802.A O no hydrogen 2.830 N/A VAL 827.A N GLU 706.A O no hydrogen 3.038 N/A ALA 828.A N ILE 799.A O no hydrogen 3.371 N/A GLN 829.A N HIS 704.A O no hydrogen 3.063 N/A ARG 831.A N SER 702.A O no hydrogen 2.840 N/A GLY 836.A N VAL 849.A O no hydrogen 2.939 N/A ASP 837.A N GLN 834.A O no hydrogen 2.859 N/A LEU 839.A N GLY 847.A O no hydrogen 2.850 N/A ALA 840.A N MET 995.A O no hydrogen 3.120 N/A ASN 841.A N ASN 845.A O no hydrogen 3.277 N/A ARG 842.A NH2 VAL 579.A O no hydrogen 3.452 N/A GLY 844.A N ASN 841.A O no hydrogen 3.423 N/A ASN 845.A ND2 GLN 884.A OE1 no hydrogen 3.360 N/A GLY 847.A N LEU 839.A O no hydrogen 2.975 N/A VAL 849.A N ASP 837.A O no hydrogen 2.774 N/A ALA 850.A N ILE 688.A O no hydrogen 2.755 N/A LEU 853.A N ILE 690.A O no hydrogen 2.611 N/A ASP 857.A N PRO 854.A O no hydrogen 3.066 N/A HIS 860.A N TYR 975.A O no hydrogen 3.167 N/A LEU 861.A N THR 865.A O no hydrogen 3.084 N/A THR 865.A OG1 PRO 866.A O no hydrogen 3.562 N/A VAL 867.A N PRO 859.A O no hydrogen 2.787 N/A ASP 868.A N LEU 673.A O no hydrogen 3.337 N/A VAL 869.A N LEU 673.A O no hydrogen 3.453 N/A ILE 870.A N VAL 689.A O no hydrogen 3.362 N/A LEU 871.A N ALA 675.A O no hydrogen 3.003 N/A ASN 872.A ND2 ASN 683.A OD1 no hydrogen 2.633 N/A LEU 874.A N ASN 872.A OD1 no hydrogen 2.703 N/A VAL 876.A N PRO 873.A O no hydrogen 2.729 N/A ARG 879.A NH2 ASP 686.A OD1 no hydrogen 3.557 N/A GLY 883.A N HIS 552.A O no hydrogen 3.317 N/A GLY 883.A N ASP 553.A OD2 no hydrogen 2.754 N/A GLN 884.A NE2 ASN 881.A O no hydrogen 3.293 N/A LEU 886.A N LEU 882.A O no hydrogen 2.865 N/A GLU 887.A N GLY 883.A O no hydrogen 2.852 N/A GLU 887.A N GLN 884.A O no hydrogen 3.055 N/A THR 888.A N GLN 884.A O no hydrogen 2.809 N/A THR 888.A OG1 GLN 884.A O no hydrogen 2.768 N/A HIS 889.A N ILE 885.A O no hydrogen 3.227 N/A GLY 891.A N GLU 887.A O no hydrogen 2.949 N/A LEU 892.A N THR 888.A O no hydrogen 2.943 N/A ALA 893.A N HIS 889.A O no hydrogen 3.393 N/A ALA 893.A N LEU 890.A O no hydrogen 3.045 N/A GLY 894.A N LEU 890.A O no hydrogen 3.080 N/A TYR 895.A N GLY 891.A O no hydrogen 2.926 N/A LEU 897.A N ALA 893.A O no hydrogen 2.773 N/A GLY 898.A N TYR 895.A O no hydrogen 3.135 N/A GLN 899.A N GLY 894.A O no hydrogen 2.982 N/A GLN 899.A NE2 LEU 897.A O no hydrogen 3.315 N/A ARG 900.A N GLU 2.A O no hydrogen 3.197 N/A ARG 900.A NH2 ALA 576.A O no hydrogen 3.338 N/A TYR 901.A N VAL 578.A O no hydrogen 2.791 N/A ILE 902.A N LYS 4.A O no hydrogen 2.994 N/A SER 903.A N MET 580.A O no hydrogen 2.728 N/A ALA 909.A N SER 903.A OG no hydrogen 3.349 N/A ILE 914.A N LYS 910.A O no hydrogen 2.978 N/A LYS 915.A N GLU 911.A O no hydrogen 2.812 N/A GLU 916.A N PRO 912.A O no hydrogen 2.873 N/A LEU 917.A N GLU 913.A O no hydrogen 3.096 N/A LEU 918.A N ILE 914.A O no hydrogen 2.925 N/A ALA 919.A N LYS 915.A O no hydrogen 3.047 N/A GLN 920.A N GLU 916.A O no hydrogen 3.037 N/A ALA 921.A N LEU 917.A O no hydrogen 2.835 N/A PHE 922.A N LEU 918.A O no hydrogen 2.838 N/A GLU 923.A N GLN 920.A O no hydrogen 3.140 N/A TYR 925.A N ALA 921.A O no hydrogen 2.912 N/A PHE 926.A N PHE 922.A O no hydrogen 2.792 N/A GLY 927.A N GLU 923.A O no hydrogen 2.654 N/A LYS 930.A N PHE 926.A O no hydrogen 2.962 N/A LYS 930.A N GLY 927.A O no hydrogen 2.722 N/A LYS 930.A NZ GLU 960.A OE2 no hydrogen 2.875 N/A GLY 931.A N GLY 927.A O no hydrogen 2.967 N/A GLU 932.A N LYS 928.A O no hydrogen 2.643 N/A PHE 934.A N ARG 929.A O no hydrogen 3.308 N/A ASP 937.A N GLU 940.A OE2 no hydrogen 2.825 N/A VAL 941.A N ASP 937.A O no hydrogen 3.199 N/A GLU 942.A N LYS 938.A O no hydrogen 2.964 N/A VAL 943.A N ARG 939.A O no hydrogen 2.771 N/A LEU 944.A N GLU 940.A O no hydrogen 3.322 N/A ARG 945.A N VAL 941.A O no hydrogen 3.176 N/A ARG 945.A N GLU 942.A O no hydrogen 3.154 N/A ARG 945.A NH1 VAL 941.A O no hydrogen 3.002 N/A ALA 947.A N LEU 944.A O no hydrogen 3.001 N/A GLU 948.A N LEU 944.A O no hydrogen 2.793 N/A LYS 949.A N ARG 945.A O no hydrogen 2.963 N/A LEU 950.A N ALA 947.A O no hydrogen 2.942 N/A GLY 951.A N ALA 947.A O no hydrogen 2.999 N/A LEU 952.A N ALA 947.A O no hydrogen 3.436 N/A THR 954.A N GLU 965.A OE1 no hydrogen 2.724 N/A THR 954.A OG1 GLU 965.A OE1 no hydrogen 3.132 N/A LYS 957.A NZ THR 954.A OG1 no hydrogen 3.379 N/A GLU 960.A N THR 958.A OG1 no hydrogen 3.344 N/A GLN 962.A N THR 958.A O no hydrogen 2.565 N/A GLN 962.A NE2 THR 954.A O no hydrogen 3.087 N/A LEU 963.A N PRO 959.A O no hydrogen 2.900 N/A LYS 964.A N GLU 960.A O no hydrogen 3.271 N/A GLU 965.A N GLU 961.A O no hydrogen 3.294 N/A LEU 966.A N GLN 962.A O no hydrogen 2.881 N/A PHE 967.A N LEU 963.A O no hydrogen 2.564 N/A PHE 967.A N LYS 964.A O no hydrogen 3.092 N/A LEU 968.A N LYS 964.A O no hydrogen 2.825 N/A GLN 969.A N GLU 965.A O no hydrogen 3.207 N/A GLY 970.A N PHE 967.A O no hydrogen 2.698 N/A VAL 972.A N ILE 987.A O no hydrogen 2.960 N/A TYR 975.A N HIS 860.A O no hydrogen 2.849 N/A ASP 976.A N GLU 981.A O no hydrogen 2.915 N/A ARG 978.A N ASP 976.A OD1 no hydrogen 2.675 N/A ARG 978.A NE ASP 976.A OD1 no hydrogen 2.996 N/A ARG 978.A NE ASP 976.A OD2 no hydrogen 3.116 N/A ARG 978.A NH2 ASP 976.A OD2 no hydrogen 2.787 N/A THR 979.A N ASP 976.A O no hydrogen 2.878 N/A GLY 980.A N ASP 976.A O no hydrogen 2.814 N/A ILE 983.A N LEU 974.A O no hydrogen 3.020 N/A ILE 987.A N VAL 972.A O no hydrogen 2.842 N/A GLY 990.A N VAL 674.A O no hydrogen 2.983 N/A MET 992.A N VAL 672.A O no hydrogen 3.350 N/A PHE 993.A N GLU 887.A OE2 no hydrogen 2.783 N/A ILE 994.A N GLN 670.A O no hydrogen 3.411 N/A LYS 996.A NZ TYR 700.A O no hydrogen 3.458 N/A LYS 996.A NZ SER 702.A OG no hydrogen 2.774 N/A LEU 997.A N LYS 838.A O no hydrogen 2.726 N/A TYR 998.A N GLN 567.A O no hydrogen 3.298 N/A ASP 1003.A N MET 1000.A O no hydrogen 2.943 N/A LYS 1004.A N VAL 1001.A O no hydrogen 3.213 N/A ARG 1008.A NH2 LEU 1021.A O no hydrogen 3.454 N/A SER 1014.A N GLN 1019.A O no hydrogen 3.375 N/A SER 1014.A OG THR 1017.A O no hydrogen 3.382 N/A GLN 1018.A NE2 SER 1014.A O no hydrogen 3.018 N/A LEU 1021.A N PRO 1012.A O no hydrogen 3.387 N/A GLY 1023.A N GLN 1026.A O no hydrogen 3.201 N/A PHE 1027.A N GLN 1026.A OE1 no hydrogen 2.736 N/A GLU 1036.A N GLY 1033.A O no hydrogen 2.932 N/A VAL 1037.A N GLY 1033.A O no hydrogen 2.828 N/A TRP 1038.A N GLU 1034.A O no hydrogen 2.786 N/A ALA 1039.A N MET 1035.A O no hydrogen 3.156 N/A LEU 1040.A N GLU 1036.A O no hydrogen 2.919 N/A GLU 1041.A N VAL 1037.A O no hydrogen 2.718 N/A ALA 1042.A N TRP 1038.A O no hydrogen 2.579 N/A TYR 1043.A N ALA 1039.A O no hydrogen 3.455 N/A ALA 1046.A N GLY 1044.A O no hydrogen 2.774 N/A LEU 1049.A N ALA 1045.A O no hydrogen 3.339 N/A GLN 1050.A N ALA 1046.A O no hydrogen 3.107 N/A GLU 1051.A N HIS 1047.A O no hydrogen 2.870 N/A MET 1052.A N THR 1048.A O no hydrogen 3.346 N/A LEU 1053.A N GLN 1050.A O no hydrogen 2.689 N/A THR 1054.A N GLU 1051.A O no hydrogen 3.147 N/A THR 1054.A OG1 GLN 1050.A O no hydrogen 3.119 N/A LYS 1056.A N GLU 1051.A O no hydrogen 2.856 N/A LYS 1056.A NZ GLU 1051.A OE1 no hydrogen 3.423 N/A SER 1057.A N THR 1054.A O no hydrogen 3.155 N/A ASP 1058.A N THR 1054.A O no hydrogen 3.240 N/A ASP 1059.A N THR 1054.A O no hydrogen 2.919 N/A ARG 1063.A N ASP 1059.A O no hydrogen 3.032 N/A ARG 1063.A NH1 GLN 1018.A O no hydrogen 3.028 N/A ASN 1064.A N ILE 1060.A O no hydrogen 3.498 N/A ALA 1065.A N GLU 1061.A O no hydrogen 3.025 N/A ALA 1066.A N GLY 1062.A O no hydrogen 2.605 N/A TYR 1067.A N ARG 1063.A O no hydrogen 2.864 N/A GLU 1068.A N ASN 1064.A O no hydrogen 3.269 N/A ALA 1069.A N ALA 1065.A O no hydrogen 2.963 N/A ILE 1070.A N ALA 1066.A O no hydrogen 2.917 N/A ILE 1071.A N TYR 1067.A O no hydrogen 2.917 N/A LYS 1072.A N GLU 1068.A O no hydrogen 3.135 N/A GLY 1073.A N ALA 1069.A O no hydrogen 3.272 N/A GLY 1073.A N ILE 1070.A O no hydrogen 2.817 N/A GLU 1074.A N ALA 1069.A O no hydrogen 2.995 N/A VAL 1076.A N ASP 1075.A OD2 no hydrogen 2.933 N/A SER 1080.A N ASP 1059.A OD2 no hydrogen 2.466 N/A SER 1080.A OG GLU 1061.A OE2 no hydrogen 3.221 N/A GLU 1083.A N ASP 1058.A O no hydrogen 3.276 N/A SER 1084.A N ASP 1058.A OD1 no hydrogen 2.428 N/A SER 1084.A N ASP 1058.A OD2 no hydrogen 2.980 N/A SER 1084.A OG ASP 1058.A OD1 no hydrogen 2.969 N/A ARG 1086.A N PRO 1082.A O no hydrogen 3.170 N/A VAL 1087.A N GLU 1083.A O no hydrogen 2.557 N/A LEU 1088.A N SER 1084.A O no hydrogen 2.849 N/A VAL 1089.A N PHE 1085.A O no hydrogen 2.911 N/A LYS 1090.A N ARG 1086.A O no hydrogen 3.063 N/A LYS 1090.A NZ GLN 1093.A OE1 no hydrogen 2.704 N/A GLU 1091.A N VAL 1087.A O no hydrogen 2.934 N/A LEU 1092.A N LEU 1088.A O no hydrogen 2.851 N/A GLN 1093.A N VAL 1089.A O no hydrogen 2.740 N/A ALA 1094.A N LYS 1090.A O no hydrogen 2.730 N/A ASP 1103.A N ASN 1107.A O no hydrogen 2.508 N/A SER 1117.A OG GLY 1114.A O no hydrogen 3.263 N/A