Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7s0d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 SER 143.A O no hydrogen 3.525 N/A THR 16.A N VAL 49.A O no hydrogen 2.943 N/A THR 16.A OG1 ASP 191.A OD1 no hydrogen 2.893 N/A SER 18.A OG SER 47.A O no hydrogen 2.807 N/A ARG 21.A NE GLU 167.A OE2 no hydrogen 2.434 N/A ARG 21.A NH2 GLU 167.A OE2 no hydrogen 2.581 N/A TYR 24.A OH ASP 40.A OD2 no hydrogen 2.204 N/A TYR 24.A OH LEU 41.A O no hydrogen 2.271 N/A TYR 25.A N LEU 199.A O no hydrogen 3.463 N/A LYS 28.A NZ ASP 204.A OD2 no hydrogen 3.352 N/A SER 33.A N ASN 247.A O no hydrogen 2.723 N/A SER 33.A OG GLU 248.A OE1 no hydrogen 2.754 N/A VAL 34.A N TYR 246.A O no hydrogen 2.915 N/A HIS 36.A N LEU 244.A O no hydrogen 2.926 N/A THR 38.A N PHE 242.A O no hydrogen 2.935 N/A ASP 40.A N ARG 240.A O no hydrogen 3.232 N/A PHE 42.A N GLN 238.A O no hydrogen 3.197 N/A PHE 46.A N PHE 19.A O no hydrogen 2.342 N/A SER 47.A N SER 18.A OG no hydrogen 2.630 N/A VAL 49.A N THR 16.A O no hydrogen 2.913 N/A THR 50.A N VAL 234.A O no hydrogen 2.940 N/A PHE 52.A N TYR 232.A O no hydrogen 2.957 N/A ILE 55.A N HIS 53.A O no hydrogen 2.866 N/A VAL 57.A N HIS 56.A ND1 no hydrogen 2.919 N/A PHE 61.A N LYS 59.A O no hydrogen 2.677 N/A ASN 63.A ND2 THR 216.A O no hydrogen 2.913 N/A LEU 66.A N PHE 214.A O no hydrogen 2.992 N/A PHE 68.A N THR 212.A O no hydrogen 2.560 N/A ASN 69.A N THR 212.A O no hydrogen 3.213 N/A VAL 72.A N PHE 170.A O no hydrogen 2.972 N/A TYR 73.A N GLY 235.A O no hydrogen 2.939 N/A TYR 73.A OH GLU 167.A OE1 no hydrogen 2.204 N/A PHE 74.A N PHE 168.A O no hydrogen 2.889 N/A ALA 75.A N TYR 233.A O no hydrogen 2.949 N/A SER 76.A N ARG 166.A O no hydrogen 2.923 N/A SER 76.A OG GLU 78.A OE2 no hydrogen 2.926 N/A THR 77.A N ALA 231.A O no hydrogen 3.240 N/A ARG 84.A N LEU 217.A O no hydrogen 3.141 N/A ARG 84.A NE ASN 103.A O no hydrogen 2.996 N/A TRP 86.A N ILE 101.A O no hydrogen 2.929 N/A ILE 87.A N GLN 215.A O no hydrogen 2.914 N/A PHE 88.A N LEU 99.A O no hydrogen 2.921 N/A GLY 89.A N ARG 213.A O no hydrogen 2.922 N/A THR 91.A OG1 THR 96.A OG1 no hydrogen 2.953 N/A SER 94.A N ASP 93.A OD1 no hydrogen 2.792 N/A LYS 95.A NZ ASP 93.A OD2 no hydrogen 2.473 N/A THR 96.A OG1 THR 91.A OG1 no hydrogen 2.953 N/A SER 98.A N CYS 113.A O no hydrogen 3.395 N/A SER 98.A OG ASP 93.A O no hydrogen 3.510 N/A SER 98.A OG THR 96.A O no hydrogen 2.994 N/A LEU 99.A N PHE 88.A O no hydrogen 2.897 N/A LEU 100.A N LYS 111.A O no hydrogen 2.920 N/A ILE 101.A N TRP 86.A O no hydrogen 2.978 N/A VAL 102.A N VAL 109.A O no hydrogen 2.935 N/A ASN 103.A ND2 PHE 157.A O no hydrogen 3.473 N/A THR 106.A OG1 ALA 105.A O no hydrogen 2.488 N/A ASN 107.A N ASN 104.A O no hydrogen 3.390 N/A VAL 109.A N VAL 102.A O no hydrogen 2.885 N/A ILE 110.A N TYR 152.A O no hydrogen 2.925 N/A LYS 111.A N LEU 100.A O no hydrogen 2.914 N/A LYS 111.A NZ GLU 151.A OE1 no hydrogen 3.021 N/A LYS 111.A NZ GLU 151.A OE2 no hydrogen 2.721 N/A CYS 113.A N SER 98.A O no hydrogen 3.253 N/A GLU 114.A N ASN 146.A O no hydrogen 2.964 N/A GLN 116.A N SER 144.A O no hydrogen 3.010 N/A GLN 116.A NE2 ASP 93.A OD1 no hydrogen 2.730 N/A CYS 118.A N VAL 141.A O no hydrogen 3.176 N/A CYS 118.A SG ARG 140.A O no hydrogen 3.304 N/A PHE 122.A N ARG 140.A O no hydrogen 3.068 N/A GLY 124.A N GLU 138.A O no hydrogen 2.764 N/A TYR 126.A N MET 135.A O no hydrogen 3.303 N/A ASN 131.A N HIS 128.A O no hydrogen 3.270 N/A MET 135.A N TYR 126.A O no hydrogen 3.345 N/A SER 137.A N GLY 124.A O no hydrogen 3.279 N/A SER 137.A OG GLY 124.A O no hydrogen 3.186 N/A GLU 138.A N GLY 124.A O no hydrogen 2.776 N/A SER 143.A N GLN 116.A O no hydrogen 2.451 N/A SER 143.A OG GLN 116.A O no hydrogen 3.291 N/A ASN 146.A N GLU 114.A O no hydrogen 3.109 N/A CYS 148.A SG GLU 151.A OE2 no hydrogen 3.283 N/A THR 149.A N VAL 112.A O no hydrogen 2.980 N/A TYR 152.A N ILE 110.A O no hydrogen 2.910 N/A SER 154.A OG TYR 152.A OH no hydrogen 3.217 N/A LYS 163.A N ILE 186.A O no hydrogen 2.748 N/A LYS 163.A NZ VAL 189.A O no hydrogen 2.625 N/A LEU 165.A N LYS 163.A O no hydrogen 2.975 N/A ARG 166.A N SER 76.A O no hydrogen 2.921 N/A ARG 166.A NE SER 76.A OG no hydrogen 2.755 N/A ARG 166.A NH2 ILE 83.A O no hydrogen 2.072 N/A GLU 167.A N LYS 182.A O no hydrogen 2.891 N/A PHE 168.A N PHE 74.A O no hydrogen 2.885 N/A VAL 169.A N TYR 180.A O no hydrogen 2.861 N/A PHE 170.A N VAL 72.A O no hydrogen 2.895 N/A LYS 171.A N LYS 178.A O no hydrogen 2.994 N/A LYS 171.A NZ TYR 24.A OH no hydrogen 2.795 N/A LYS 171.A NZ ASP 40.A OD2 no hydrogen 3.184 N/A ASN 172.A ND2 ILE 209.A O no hydrogen 2.971 N/A ILE 173.A N TYR 176.A O no hydrogen 2.889 N/A TYR 176.A N ILE 173.A O no hydrogen 2.895 N/A PHE 177.A N LEU 205.A O no hydrogen 2.846 N/A LYS 178.A N LYS 171.A O no hydrogen 2.842 N/A LYS 178.A NZ ASP 204.A OD2 no hydrogen 3.452 N/A ILE 179.A N VAL 203.A O no hydrogen 3.009 N/A TYR 180.A N VAL 169.A O no hydrogen 2.924 N/A SER 181.A N GLU 200.A O no hydrogen 3.335 N/A LYS 182.A N GLU 167.A O no hydrogen 2.879 N/A THR 184.A N LEU 165.A O no hydrogen 2.930 N/A ILE 186.A N LYS 163.A O no hydrogen 2.800 N/A ASN 187.A ND2 ASN 161.A O no hydrogen 3.199 N/A ARG 190.A NE ASP 191.A OD2 no hydrogen 2.508 N/A LEU 199.A N VAL 23.A O no hydrogen 3.119 N/A GLU 200.A N SER 181.A O no hydrogen 3.071 N/A LEU 205.A N PHE 177.A O no hydrogen 2.854 N/A ILE 207.A N LEU 205.A O no hydrogen 3.089 N/A ARG 213.A N GLY 89.A O no hydrogen 2.889 N/A PHE 214.A N LEU 66.A O no hydrogen 2.825 N/A GLN 215.A N ILE 87.A O no hydrogen 2.906 N/A GLN 215.A NE2 ASN 63.A O no hydrogen 3.268 N/A LEU 217.A N GLY 85.A O no hydrogen 2.909 N/A ALA 219.A N ILE 82.A O no hydrogen 2.912 N/A TYR 232.A N PHE 52.A O no hydrogen 2.955 N/A TYR 232.A OH ASP 62.A O no hydrogen 2.532 N/A TYR 233.A N ALA 75.A O no hydrogen 2.860 N/A TYR 233.A OH ARG 190.A O no hydrogen 1.969 N/A TYR 233.A OH ASP 191.A OD2 no hydrogen 2.386 N/A GLY 235.A N TYR 73.A O no hydrogen 2.870 N/A GLN 238.A N PHE 42.A O no hydrogen 3.082 N/A ARG 240.A N ASP 40.A O no hydrogen 3.174 N/A ARG 240.A NH1 PRO 239.A O no hydrogen 3.065 N/A PHE 242.A N THR 38.A O no hydrogen 2.898 N/A LEU 243.A N VAL 256.A O no hydrogen 2.938 N/A LEU 244.A N HIS 36.A O no hydrogen 2.883 N/A LYS 245.A N ASP 254.A O no hydrogen 2.988 N/A LYS 245.A NZ ASP 254.A OD2 no hydrogen 2.670 N/A TYR 246.A N VAL 34.A O no hydrogen 2.884 N/A GLY 250.A N ASN 247.A O no hydrogen 3.333 N/A THR 251.A N ASN 247.A OD1 no hydrogen 2.674 N/A ILE 252.A N TYR 25.A OH no hydrogen 3.264 N/A THR 253.A N LYS 245.A O no hydrogen 3.484 N/A THR 253.A OG1 LYS 245.A O no hydrogen 3.403 N/A VAL 256.A N LEU 243.A O no hydrogen 2.847 N/A CYS 258.A N THR 241.A O no hydrogen 2.826 N/A CYS 258.A SG THR 241.A O no hydrogen 3.043 N/A ALA 259.A N ASP 257.A OD1 no hydrogen 3.089 N/A LEU 260.A N ASP 257.A O no hydrogen 3.299 N/A SER 264.A N ASP 261.A OD1 no hydrogen 2.887 N/A SER 264.A OG ASP 261.A OD1 no hydrogen 2.879 N/A GLU 265.A N ASP 261.A O no hydrogen 2.906 N/A THR 266.A N PRO 262.A O no hydrogen 2.873 N/A THR 266.A OG1 PRO 262.A O no hydrogen 2.598 N/A LYS 267.A N LEU 263.A O no hydrogen 2.973 N/A LYS 267.A NZ PHE 273.A O no hydrogen 2.967 N/A CYS 268.A N SER 264.A O no hydrogen 2.890 N/A THR 269.A N GLU 265.A O no hydrogen 2.941 N/A THR 269.A N THR 266.A O no hydrogen 2.956 N/A THR 269.A OG1 GLU 265.A O no hydrogen 2.590 N/A LEU 270.A N THR 266.A O no hydrogen 2.942 N/A SER 272.A N LYS 267.A O no hydrogen 3.393 N/A GLY 278.A N THR 523.A O no hydrogen 2.936 N/A TYR 280.A N VAL 521.A O no hydrogen 2.884 N/A TYR 280.A OH GLU 276.A O no hydrogen 2.691 N/A THR 282.A N VAL 519.A O no hydrogen 2.991 N/A THR 282.A OG1 VAL 519.A O no hydrogen 3.310 N/A ASN 284.A N SER 283.A OG no hydrogen 2.539 N/A PHE 285.A N GLY 517.A O no hydrogen 2.618 N/A THR 290.A N CYS 462.A O no hydrogen 2.914 N/A THR 290.A OG1 GLU 291.A OE1 no hydrogen 2.230 N/A SER 292.A OG ASN 464.A O no hydrogen 2.860 N/A ILE 293.A N ASN 464.A O no hydrogen 2.859 N/A ARG 295.A N ASN 466.A O no hydrogen 2.906 N/A PHE 296.A N SER 454.A OG no hydrogen 3.079 N/A ASN 301.A N THR 300.A OG1 no hydrogen 2.668 N/A CYS 303.A N VAL 329.A O no hydrogen 3.342 N/A CYS 303.A SG VAL 329.A O no hydrogen 3.324 N/A PHE 305.A N CYS 303.A O no hydrogen 2.608 N/A PHE 309.A N PHE 305.A O no hydrogen 3.247 N/A ALA 319.A N SER 316.A O no hydrogen 2.891 N/A ARG 322.A NH1 SER 438.A OG no hydrogen 2.551 N/A LYS 323.A N ALA 364.A O no hydrogen 2.908 N/A ILE 325.A N VAL 362.A O no hydrogen 2.836 N/A ASN 327.A N THR 447.A OG1 no hydrogen 2.366 N/A CYS 328.A SG SER 326.A O no hydrogen 3.446 N/A ALA 330.A N CYS 449.A O no hydrogen 2.973 N/A TYR 336.A N TYR 332.A O no hydrogen 2.915 N/A ASN 337.A N SER 333.A O no hydrogen 2.873 N/A SER 338.A N VAL 334.A O no hydrogen 2.919 N/A SER 338.A OG LEU 335.A O no hydrogen 2.807 N/A THR 343.A N ALA 402.A O no hydrogen 2.978 N/A LYS 345.A N VAL 400.A O no hydrogen 2.930 N/A VAL 349.A N TYR 347.A O no hydrogen 2.659 N/A SER 350.A OG THR 352.A OG1 no hydrogen 3.326 N/A THR 352.A OG1 SER 350.A OG no hydrogen 3.326 N/A LYS 353.A N SER 350.A O no hydrogen 3.131 N/A LEU 357.A N LEU 354.A O no hydrogen 3.230 N/A PHE 359.A N VAL 448.A O no hydrogen 2.939 N/A THR 360.A N GLU 440.A O no hydrogen 3.241 N/A THR 360.A OG1 GLU 440.A O no hydrogen 2.319 N/A ASN 361.A N GLU 440.A O no hydrogen 2.916 N/A VAL 362.A N ILE 325.A O no hydrogen 3.060 N/A TYR 363.A N SER 438.A O no hydrogen 2.849 N/A ALA 364.A N LYS 323.A O no hydrogen 2.916 N/A ASP 365.A N VAL 436.A O no hydrogen 2.894 N/A SER 366.A N ASN 321.A O no hydrogen 2.947 N/A PHE 367.A N VAL 434.A O no hydrogen 2.988 N/A ILE 369.A N TYR 432.A O no hydrogen 2.912 N/A GLU 373.A N ARG 370.A O no hydrogen 3.040 N/A VAL 374.A N GLY 371.A O no hydrogen 3.357 N/A GLN 376.A N GLU 373.A O no hydrogen 2.899 N/A GLN 376.A NE2 THR 382.A O no hydrogen 3.325 N/A ILE 377.A N VAL 374.A O no hydrogen 2.926 N/A GLY 380.A N LEU 392.A O no hydrogen 2.926 N/A GLN 381.A N ALA 378.A O no hydrogen 3.075 N/A ASP 387.A N LYS 384.A O no hydrogen 3.294 N/A TYR 388.A N LYS 384.A O no hydrogen 2.936 N/A TYR 390.A N ASN 389.A OD1 no hydrogen 2.824 N/A CYS 399.A N LEU 437.A O no hydrogen 2.993 N/A CYS 399.A SG VAL 400.A O no hydrogen 3.949 N/A VAL 400.A N LYS 345.A O no hydrogen 2.895 N/A ILE 401.A N VAL 435.A O no hydrogen 2.927 N/A TRP 403.A N ARG 433.A O no hydrogen 2.986 N/A ASN 404.A N SER 342.A OG no hydrogen 2.838 N/A SER 405.A N PRO 431.A O no hydrogen 3.197 N/A SER 405.A OG ASP 409.A OD2 no hydrogen 3.019 N/A SER 405.A OG PRO 431.A O no hydrogen 2.867 N/A ASP 409.A N SER 405.A O no hydrogen 2.887 N/A SER 410.A OG GLN 424.A O no hydrogen 3.371 N/A SER 410.A OG GLN 430.A OE1 no hydrogen 3.206 N/A TYR 413.A OH PHE 314.A O no hydrogen 3.364 N/A TYR 415.A N GLN 419.A O no hydrogen 2.884 N/A GLN 419.A N TYR 415.A O no hydrogen 2.873 N/A SER 420.A OG TYR 411.A O no hydrogen 3.275 N/A SER 420.A OG TYR 413.A O no hydrogen 3.415 N/A TYR 421.A N TYR 413.A O no hydrogen 2.627 N/A PHE 423.A N TYR 421.A O no hydrogen 2.771 N/A THR 426.A N GLN 424.A O no hydrogen 2.760 N/A THR 426.A OG1 PRO 425.A O no hydrogen 2.770 N/A GLN 430.A N VAL 427.A O no hydrogen 3.165 N/A GLN 430.A NE2 THR 426.A O no hydrogen 3.384 N/A TYR 432.A N ILE 369.A O no hydrogen 2.867 N/A ARG 433.A N TRP 403.A O no hydrogen 2.866 N/A VAL 434.A N PHE 367.A O no hydrogen 2.888 N/A VAL 435.A N ILE 401.A O no hydrogen 2.891 N/A VAL 436.A N ASP 365.A O no hydrogen 2.844 N/A LEU 437.A N CYS 399.A O no hydrogen 2.837 N/A SER 438.A N TYR 363.A O no hydrogen 2.992 N/A SER 438.A OG TYR 363.A O no hydrogen 3.321 N/A GLU 440.A N ASN 361.A O no hydrogen 2.912 N/A THR 447.A N PHE 359.A O no hydrogen 2.700 N/A VAL 448.A N PHE 359.A O no hydrogen 2.881 N/A THR 455.A OG1 VAL 294.A O no hydrogen 3.043 N/A ASN 460.A N LEU 476.A O no hydrogen 3.398 N/A VAL 463.A N GLY 474.A O no hydrogen 2.849 N/A ASN 464.A N GLU 291.A O no hydrogen 2.993 N/A PHE 465.A N GLY 472.A O no hydrogen 2.862 N/A ASN 466.A N ILE 293.A O no hydrogen 2.898 N/A ASN 466.A ND2 ARG 295.A O no hydrogen 3.203 N/A PHE 467.A N LEU 470.A O no hydrogen 2.896 N/A GLY 472.A N PHE 465.A O no hydrogen 2.931 N/A GLY 474.A N VAL 463.A O no hydrogen 2.924 N/A VAL 475.A N THR 512.A O no hydrogen 2.828 N/A THR 477.A N ASP 510.A O no hydrogen 2.923 N/A GLN 487.A N LEU 484.A O no hydrogen 3.282 N/A GLY 490.A N ALA 499.A O no hydrogen 2.382 N/A ASP 492.A N THR 496.A O no hydrogen 2.912 N/A THR 496.A OG1 ILE 493.A O no hydrogen 3.406 N/A ALA 499.A N GLY 490.A O no hydrogen 2.864 N/A VAL 500.A N LEU 509.A O no hydrogen 2.933 N/A ARG 501.A N GLN 488.A O no hydrogen 3.229 N/A ARG 501.A NE GLN 487.A O no hydrogen 2.859 N/A ARG 501.A NH2 LEU 484.A O no hydrogen 3.220 N/A ASP 502.A N GLU 507.A O no hydrogen 2.542 N/A LEU 506.A N ASP 502.A O no hydrogen 2.731 N/A LEU 509.A N VAL 500.A O no hydrogen 2.882 N/A ASP 510.A N THR 477.A O no hydrogen 2.908 N/A ILE 511.A N ASP 498.A O no hydrogen 2.866 N/A THR 512.A N VAL 475.A O no hydrogen 2.915 N/A GLY 517.A N PHE 285.A O no hydrogen 2.720 N/A VAL 519.A N SER 283.A O no hydrogen 2.862 N/A SER 520.A N LEU 535.A O no hydrogen 2.904 N/A VAL 521.A N TYR 280.A O no hydrogen 2.824 N/A ILE 522.A N ALA 533.A O no hydrogen 2.856 N/A THR 523.A N GLY 278.A O no hydrogen 3.053 N/A GLY 525.A N THR 523.A OG1 no hydrogen 3.345 N/A THR 526.A OG1 PHE 273.A O no hydrogen 3.342 N/A THR 528.A N GLY 525.A O no hydrogen 2.827 N/A SER 529.A N GLY 525.A O no hydrogen 2.968 N/A ALA 533.A N ILE 522.A O no hydrogen 2.963 N/A VAL 534.A N ILE 556.A O no hydrogen 2.893 N/A LEU 535.A N SER 520.A O no hydrogen 2.866 N/A TYR 536.A N CYS 554.A O no hydrogen 2.893 N/A GLN 537.A NE2 GLY 518.A O no hydrogen 2.766 N/A CYS 541.A N GLN 549.A OE1 no hydrogen 2.478 N/A CYS 541.A SG PHE 548.A O no hydrogen 3.158 N/A CYS 541.A SG GLN 549.A OE1 no hydrogen 3.222 N/A THR 542.A N ASN 540.A O no hydrogen 2.633 N/A THR 542.A OG1 ASN 540.A OD1 no hydrogen 3.136 N/A PHE 548.A N LEU 555.A O no hydrogen 2.906 N/A GLN 549.A NE2 THR 550.A O no hydrogen 2.754 N/A THR 550.A N GLY 553.A O no hydrogen 2.879 N/A THR 550.A OG1 GLY 553.A O no hydrogen 2.485 N/A CYS 554.A N TYR 536.A O no hydrogen 2.863 N/A CYS 554.A SG PHE 548.A O no hydrogen 4.030 N/A LEU 555.A N PHE 548.A O no hydrogen 2.881 N/A ILE 556.A N VAL 534.A O no hydrogen 2.872 N/A GLY 557.A N ASN 546.A O no hydrogen 3.270 N/A GLU 559.A N ILE 583.A O no hydrogen 3.424 N/A VAL 561.A N ALA 585.A O no hydrogen 3.265 N/A SER 564.A OG THR 587.A O no hydrogen 3.140 N/A ILE 571.A N ILE 575.A O no hydrogen 2.934 N/A CYS 576.A N TYR 586.A O no hydrogen 2.876 N/A ALA 577.A N ILE 569.A O no hydrogen 2.997 N/A ALA 579.A N SER 582.A O no hydrogen 2.978 N/A SER 582.A N ALA 579.A O no hydrogen 3.273 N/A SER 582.A OG ALA 579.A O no hydrogen 2.837 N/A SER 582.A OG SER 580.A O no hydrogen 2.998 N/A ALA 585.A N GLU 559.A O no hydrogen 3.207 N/A TYR 586.A N CYS 576.A O no hydrogen 2.924 N/A TYR 586.A OH GLU 566.A O no hydrogen 2.237 N/A MET 588.A N GLY 574.A O no hydrogen 2.725 N/A SER 589.A N TYR 565.A O no hydrogen 2.682 N/A TYR 598.A N VAL 596.A O no hydrogen 2.687 N/A SER 599.A OG ASN 600.A OD1 no hydrogen 3.167 N/A SER 599.A OG ASN 601.A OD1 no hydrogen 3.328 N/A ASN 600.A N SER 599.A OG no hydrogen 2.620 N/A ILE 603.A N PHE 942.A O no hydrogen 2.951 N/A ILE 605.A N LYS 940.A O no hydrogen 2.949 N/A THR 607.A N GLN 938.A O no hydrogen 3.036 N/A THR 607.A OG1 GLN 938.A O no hydrogen 3.183 N/A PHE 609.A N ASN 608.A OD1 no hydrogen 2.624 N/A THR 610.A N VAL 935.A O no hydrogen 2.895 N/A SER 612.A N THR 933.A O no hydrogen 2.918 N/A SER 612.A OG THR 933.A OG1 no hydrogen 3.023 N/A THR 614.A N HIS 931.A O no hydrogen 2.916 N/A GLU 616.A N PHE 929.A O no hydrogen 3.020 N/A LEU 618.A N VAL 927.A O no hydrogen 2.931 N/A SER 621.A OG MET 622.A O no hydrogen 3.380 N/A MET 622.A N GLN 665.A OE1 no hydrogen 2.642 N/A THR 623.A OG1 ASN 822.A OD1 no hydrogen 2.429 N/A LYS 624.A NZ ASP 666.A OD1 no hydrogen 3.030 N/A LYS 624.A NZ ASP 666.A OD2 no hydrogen 2.576 N/A LYS 624.A NZ PRO 729.A O no hydrogen 3.546 N/A THR 625.A N THR 623.A O no hydrogen 2.645 N/A SER 626.A N THR 726.A O no hydrogen 2.919 N/A TYR 632.A N ASP 628.A O no hydrogen 2.937 N/A TYR 632.A OH LEU 829.A O no hydrogen 2.688 N/A ILE 633.A N CYS 629.A O no hydrogen 2.801 N/A CYS 634.A N THR 630.A O no hydrogen 2.935 N/A GLY 635.A N THR 630.A O no hydrogen 2.252 N/A SER 637.A N GLY 635.A O no hydrogen 2.833 N/A CYS 640.A SG SER 637.A O no hydrogen 3.638 N/A CYS 640.A SG SER 637.A OG no hydrogen 3.740 N/A SER 641.A N SER 637.A O no hydrogen 3.085 N/A ASN 642.A N THR 638.A O no hydrogen 2.874 N/A LEU 644.A N CYS 640.A O no hydrogen 2.845 N/A LEU 645.A N SER 641.A O no hydrogen 2.959 N/A GLN 646.A N LEU 643.A O no hydrogen 2.943 N/A TYR 647.A N LEU 644.A O no hydrogen 3.055 N/A TYR 647.A OH THR 865.A OG1 no hydrogen 3.049 N/A GLY 648.A N LEU 645.A O no hydrogen 3.417 N/A GLN 653.A N SER 649.A O no hydrogen 2.923 N/A LEU 654.A N PHE 650.A O no hydrogen 2.901 N/A ASN 655.A N CYS 651.A O no hydrogen 2.909 N/A ARG 656.A N THR 652.A O no hydrogen 2.859 N/A ALA 657.A N GLN 653.A O no hydrogen 2.943 N/A LEU 658.A N LEU 654.A O no hydrogen 2.929 N/A THR 659.A N ASN 655.A O no hydrogen 2.879 N/A THR 659.A OG1 ASN 655.A O no hydrogen 3.049 N/A GLY 660.A N ARG 656.A O no hydrogen 2.861 N/A ILE 661.A N ALA 657.A O no hydrogen 2.980 N/A ALA 662.A N LEU 658.A O no hydrogen 2.886 N/A VAL 663.A N THR 659.A O no hydrogen 2.907 N/A GLU 664.A N GLY 660.A O no hydrogen 2.879 N/A GLN 665.A N ILE 661.A O no hydrogen 2.931 N/A GLN 665.A N ALA 662.A O no hydrogen 3.041 N/A GLN 665.A NE2 ILE 661.A O no hydrogen 3.042 N/A ASP 666.A N ALA 662.A O no hydrogen 3.490 N/A LYS 667.A N VAL 663.A O no hydrogen 2.909 N/A ASN 668.A N GLU 664.A O no hydrogen 2.833 N/A THR 669.A N GLN 665.A O no hydrogen 2.965 N/A THR 669.A OG1 GLN 665.A O no hydrogen 3.187 N/A GLN 670.A N ASP 666.A O no hydrogen 2.918 N/A GLU 671.A N LYS 667.A O no hydrogen 2.877 N/A VAL 672.A N ASN 668.A O no hydrogen 2.882 N/A PHE 673.A N THR 669.A O no hydrogen 2.940 N/A ALA 674.A N GLN 670.A O no hydrogen 2.878 N/A GLN 675.A N PHE 673.A O no hydrogen 2.651 N/A GLN 675.A NE2 GLU 671.A O no hydrogen 2.327 N/A PHE 691.A N PHE 688.A O no hydrogen 3.403 N/A ASN 692.A N ASN 795.A OD1 no hydrogen 2.742 N/A SER 694.A N ASN 692.A OD1 no hydrogen 3.312 N/A SER 694.A OG ASN 692.A OD1 no hydrogen 2.576 N/A GLN 695.A NE2 GLN 802.A OE1 no hydrogen 2.802 N/A ILE 696.A N PHE 693.A O no hydrogen 2.967 N/A LEU 697.A N PHE 693.A O no hydrogen 3.240 N/A ASP 699.A N ARG 706.A O no hydrogen 3.398 N/A SER 701.A N ASP 699.A OD1 no hydrogen 3.351 N/A SER 701.A OG ASP 699.A OD1 no hydrogen 3.232 N/A SER 701.A OG ASP 699.A OD2 no hydrogen 3.033 N/A LYS 702.A N ASP 699.A O no hydrogen 2.952 N/A LYS 702.A NZ ASP 711.A OD1 no hydrogen 3.423 N/A LYS 705.A N LYS 702.A O no hydrogen 3.336 N/A LYS 705.A NZ PRO 700.A O no hydrogen 2.313 N/A LYS 705.A NZ LYS 702.A O no hydrogen 3.353 N/A SER 707.A OG GLU 710.A OE2 no hydrogen 2.788 N/A SER 707.A OG GLN 921.A OE1 no hydrogen 3.395 N/A ASP 711.A N SER 707.A O no hydrogen 2.920 N/A LEU 712.A N PRO 708.A O no hydrogen 2.879 N/A LEU 713.A N ILE 709.A O no hydrogen 2.904 N/A PHE 714.A N GLU 710.A O no hydrogen 2.893 N/A ASN 715.A N ASP 711.A O no hydrogen 2.902 N/A LYS 716.A N LEU 713.A O no hydrogen 3.038 N/A LYS 716.A NZ SER 806.A O no hydrogen 3.393 N/A VAL 717.A N LEU 713.A O no hydrogen 3.225 N/A THR 718.A N GLN 816.A OE1 no hydrogen 3.114 N/A THR 726.A N SER 626.A O no hydrogen 2.926 N/A LEU 728.A N LYS 624.A O no hydrogen 2.877 N/A THR 733.A OG1 GLU 735.A OE1 no hydrogen 3.091 N/A GLU 735.A N GLU 735.A OE1 no hydrogen 2.731 N/A ILE 737.A N THR 733.A O no hydrogen 2.896 N/A ALA 738.A N ASP 734.A O no hydrogen 2.884 N/A GLN 739.A N GLU 735.A O no hydrogen 2.876 N/A TYR 740.A N MET 736.A O no hydrogen 2.902 N/A THR 741.A N ILE 737.A O no hydrogen 2.949 N/A THR 741.A OG1 ALA 738.A O no hydrogen 2.515 N/A SER 742.A N ALA 738.A O no hydrogen 2.841 N/A ALA 743.A N GLN 739.A O no hydrogen 2.861 N/A LEU 744.A N TYR 740.A O no hydrogen 2.881 N/A LEU 745.A N THR 741.A O no hydrogen 2.911 N/A ALA 746.A N SER 742.A O no hydrogen 2.873 N/A GLY 747.A N ALA 743.A O no hydrogen 2.857 N/A THR 748.A N LEU 744.A O no hydrogen 2.910 N/A THR 748.A OG1 LEU 744.A O no hydrogen 3.176 N/A THR 748.A OG1 LEU 745.A O no hydrogen 2.664 N/A ILE 749.A N LEU 745.A O no hydrogen 2.901 N/A THR 750.A N ALA 746.A O no hydrogen 2.886 N/A THR 750.A OG1 ALA 746.A O no hydrogen 2.802 N/A SER 751.A N GLY 747.A O no hydrogen 2.852 N/A SER 751.A OG GLY 747.A O no hydrogen 2.659 N/A GLY 752.A N THR 748.A O no hydrogen 2.903 N/A THR 754.A OG1 SER 751.A O no hydrogen 3.085 N/A GLY 756.A N TRP 753.A O no hydrogen 3.049 N/A ALA 757.A N THR 754.A O no hydrogen 3.080 N/A GLY 758.A N THR 754.A O no hydrogen 2.930 N/A GLN 762.A N GLN 762.A OE1 no hydrogen 3.016 N/A ILE 763.A N THR 750.A O no hydrogen 2.410 N/A GLN 768.A N PRO 764.A O no hydrogen 2.970 N/A GLN 768.A NE2 THR 748.A O no hydrogen 2.931 N/A GLN 768.A NE2 ILE 749.A O no hydrogen 3.222 N/A MET 769.A N PHE 765.A O no hydrogen 2.911 N/A ALA 770.A N PRO 766.A O no hydrogen 2.897 N/A TYR 771.A N MET 767.A O no hydrogen 2.902 N/A ARG 772.A N GLN 768.A O no hydrogen 2.966 N/A ARG 772.A NE GLN 768.A OE1 no hydrogen 3.097 N/A ARG 772.A NH1 LEU 916.A O no hydrogen 2.930 N/A ARG 772.A NH2 GLN 768.A OE1 no hydrogen 3.413 N/A PHE 773.A N MET 769.A O no hydrogen 2.911 N/A ASN 774.A N ALA 770.A O no hydrogen 2.893 N/A GLY 775.A N TYR 771.A O no hydrogen 2.886 N/A ILE 776.A N PHE 773.A O no hydrogen 2.998 N/A VAL 778.A N PHE 773.A O no hydrogen 3.153 N/A THR 779.A OG1 ASN 781.A OD1 no hydrogen 2.341 N/A ASN 781.A ND2 GLU 978.A OE2 no hydrogen 2.570 N/A VAL 782.A N THR 779.A O no hydrogen 3.419 N/A TYR 784.A N GLN 780.A O no hydrogen 3.032 N/A GLU 785.A N ASN 781.A O no hydrogen 2.886 N/A ASN 786.A N LEU 783.A O no hydrogen 2.913 N/A GLN 787.A NE2 GLY 689.A O no hydrogen 3.635 N/A ILE 790.A N ASN 786.A O no hydrogen 2.913 N/A ALA 791.A N GLN 787.A O no hydrogen 2.936 N/A ASN 792.A N LYS 788.A O no hydrogen 2.937 N/A GLN 793.A N LEU 789.A O no hydrogen 2.902 N/A PHE 794.A N ILE 790.A O no hydrogen 2.917 N/A ASN 795.A N ALA 791.A O no hydrogen 2.942 N/A ASN 795.A ND2 GLY 690.A O no hydrogen 3.157 N/A SER 796.A N ASN 792.A O no hydrogen 2.918 N/A ALA 797.A N GLN 793.A O no hydrogen 2.896 N/A ILE 798.A N PHE 794.A O no hydrogen 2.932 N/A GLY 799.A N ASN 795.A O no hydrogen 2.982 N/A LYS 800.A N SER 796.A O no hydrogen 2.880 N/A ILE 801.A N ALA 797.A O no hydrogen 2.931 N/A ILE 801.A N ILE 798.A O no hydrogen 3.043 N/A GLN 802.A N ILE 798.A O no hydrogen 3.454 N/A ASP 803.A N GLY 799.A O no hydrogen 3.078 N/A SER 804.A N LYS 800.A O no hydrogen 2.825 N/A LEU 805.A N ILE 801.A O no hydrogen 2.916 N/A SER 806.A N GLN 802.A O no hydrogen 2.904 N/A SER 807.A N ASP 803.A O no hydrogen 2.929 N/A SER 807.A OG ASP 803.A O no hydrogen 2.882 N/A THR 808.A N SER 804.A O no hydrogen 2.895 N/A THR 808.A OG1 SER 804.A O no hydrogen 3.041 N/A GLN 816.A N LEU 812.A O no hydrogen 2.931 N/A ASP 817.A N GLY 813.A O no hydrogen 2.820 N/A VAL 818.A N LYS 814.A O no hydrogen 2.967 N/A VAL 819.A N LEU 815.A O no hydrogen 2.954 N/A ASN 820.A N GLN 816.A O no hydrogen 2.847 N/A GLN 821.A N ASP 817.A O no hydrogen 2.889 N/A ASN 822.A N VAL 818.A O no hydrogen 2.963 N/A ALA 823.A N VAL 819.A O no hydrogen 2.929 N/A GLN 824.A N ASN 820.A O no hydrogen 2.833 N/A ALA 825.A N GLN 821.A O no hydrogen 2.876 N/A LEU 826.A N ASN 822.A O no hydrogen 2.982 N/A ASN 827.A N ALA 823.A O no hydrogen 2.888 N/A THR 828.A N GLN 824.A O no hydrogen 2.885 N/A THR 828.A OG1 GLN 824.A O no hydrogen 3.006 N/A THR 828.A OG1 ALA 825.A O no hydrogen 2.542 N/A LEU 829.A N ALA 825.A O no hydrogen 2.916 N/A VAL 830.A N LEU 826.A O no hydrogen 2.931 N/A LYS 831.A N ASN 827.A O no hydrogen 2.847 N/A GLN 832.A N THR 828.A O no hydrogen 2.940 N/A LEU 833.A N VAL 830.A O no hydrogen 3.105 N/A SER 834.A N LYS 831.A O no hydrogen 2.827 N/A SER 834.A OG SER 834.A O no hydrogen 2.290 N/A SER 835.A N GLN 832.A O no hydrogen 3.172 N/A SER 835.A OG GLN 832.A O no hydrogen 3.506 N/A ALA 839.A N ASN 836.A O no hydrogen 2.675 N/A SER 841.A OG ASP 846.A OD1 no hydrogen 3.148 N/A SER 841.A OG ASP 846.A OD2 no hydrogen 2.714 N/A SER 842.A OG LEU 833.A O no hydrogen 2.204 N/A SER 842.A OG SER 835.A O no hydrogen 3.230 N/A LEU 848.A N LEU 844.A O no hydrogen 2.932 N/A SER 849.A N ASN 845.A O no hydrogen 2.899 N/A ARG 850.A N ASP 846.A O no hydrogen 2.881 N/A GLU 855.A N ASP 852.A O no hydrogen 3.218 N/A ALA 856.A N ASP 852.A O no hydrogen 2.841 N/A GLU 857.A N PRO 853.A O no hydrogen 2.916 N/A ILE 860.A N ALA 856.A O no hydrogen 2.940 N/A ASP 861.A N GLU 857.A O no hydrogen 2.810 N/A ARG 862.A N VAL 858.A O no hydrogen 2.924 N/A ARG 862.A NH2 GLY 838.A O no hydrogen 3.168 N/A LEU 863.A N GLN 859.A O no hydrogen 2.970 N/A ILE 864.A N ILE 860.A O no hydrogen 2.864 N/A THR 865.A N ASP 861.A O no hydrogen 2.852 N/A THR 865.A OG1 TYR 647.A OH no hydrogen 3.049 N/A THR 865.A OG1 ASP 861.A O no hydrogen 2.882 N/A THR 865.A OG1 ASP 861.A OD1 no hydrogen 3.562 N/A GLY 866.A N ARG 862.A O no hydrogen 2.958 N/A ARG 867.A N LEU 863.A O no hydrogen 2.914 N/A ARG 867.A NH1 ILE 633.A O no hydrogen 2.595 N/A ARG 867.A NH2 SER 842.A O no hydrogen 3.231 N/A LEU 868.A N ILE 864.A O no hydrogen 2.827 N/A GLN 869.A N THR 865.A O no hydrogen 2.902 N/A SER 870.A N GLY 866.A O no hydrogen 2.923 N/A LEU 871.A N ARG 867.A O no hydrogen 2.888 N/A GLN 872.A N LEU 868.A O no hydrogen 2.859 N/A THR 873.A N GLN 869.A O no hydrogen 2.944 N/A THR 873.A OG1 GLN 869.A O no hydrogen 3.326 N/A TYR 874.A N SER 870.A O no hydrogen 2.910 N/A VAL 875.A N LEU 871.A O no hydrogen 2.875 N/A THR 876.A N GLN 872.A O no hydrogen 2.864 N/A THR 876.A OG1 GLN 872.A O no hydrogen 3.074 N/A GLN 877.A N THR 873.A O no hydrogen 2.971 N/A GLN 878.A N TYR 874.A O no hydrogen 2.867 N/A LEU 879.A N VAL 875.A O no hydrogen 2.822 N/A ILE 880.A N THR 876.A O no hydrogen 2.984 N/A ARG 881.A N GLN 877.A O no hydrogen 2.896 N/A ALA 882.A N GLN 878.A O no hydrogen 2.793 N/A ALA 883.A N LEU 879.A O no hydrogen 2.884 N/A GLU 884.A N ILE 880.A O no hydrogen 2.963 N/A ILE 885.A N ARG 881.A O no hydrogen 2.873 N/A ARG 886.A N ALA 882.A O no hydrogen 2.796 N/A ARG 886.A NH1 ASN 668.A OD1 no hydrogen 2.882 N/A ALA 887.A N ALA 883.A O no hydrogen 2.928 N/A SER 888.A N GLU 884.A O no hydrogen 2.904 N/A SER 888.A OG PRO 619.A O no hydrogen 2.799 N/A ALA 889.A N ILE 885.A O no hydrogen 2.783 N/A ASN 890.A N ARG 886.A O no hydrogen 2.881 N/A LEU 891.A N ALA 887.A O no hydrogen 2.928 N/A ALA 892.A N SER 888.A O no hydrogen 2.825 N/A ALA 893.A N ALA 889.A O no hydrogen 2.837 N/A THR 894.A N ASN 890.A O no hydrogen 2.917 N/A THR 894.A OG1 ASN 890.A O no hydrogen 2.814 N/A LYS 895.A N LEU 891.A O no hydrogen 2.856 N/A LYS 895.A NZ GLU 616.A OE1 no hydrogen 3.077 N/A LYS 895.A NZ GLU 616.A OE2 no hydrogen 2.344 N/A LYS 895.A NZ PHE 909.A O no hydrogen 3.238 N/A MET 896.A N ALA 892.A O no hydrogen 2.861 N/A SER 897.A N ALA 893.A O no hydrogen 2.874 N/A SER 897.A OG GLN 675.A OE1 no hydrogen 2.788 N/A SER 897.A OG ALA 893.A O no hydrogen 2.829 N/A GLU 898.A N THR 894.A O no hydrogen 2.888 N/A CYS 899.A N LYS 895.A O no hydrogen 2.822 N/A CYS 899.A SG LYS 895.A O no hydrogen 3.065 N/A VAL 900.A N MET 896.A O no hydrogen 2.895 N/A LEU 901.A N MET 896.A O no hydrogen 3.174 N/A GLN 903.A NE2 ARG 772.A O no hydrogen 2.810 N/A GLN 903.A NE2 HIS 915.A O no hydrogen 3.059 N/A ARG 906.A NH1 GLU 898.A OE1 no hydrogen 3.310 N/A LEU 916.A N VAL 932.A O no hydrogen 2.922 N/A GLN 921.A N VAL 928.A O no hydrogen 2.674 N/A GLN 921.A NE2 PRO 920.A O no hydrogen 2.372 N/A ALA 923.A N GLY 926.A O no hydrogen 3.370 N/A GLY 926.A N ALA 923.A O no hydrogen 3.057 N/A VAL 927.A N LEU 618.A O no hydrogen 2.891 N/A VAL 928.A N GLN 921.A O no hydrogen 2.884 N/A PHE 929.A N GLU 616.A O no hydrogen 2.828 N/A LEU 930.A N PHE 919.A O no hydrogen 3.042 N/A HIS 931.A N THR 614.A O no hydrogen 2.863 N/A HIS 931.A NE2 GLU 616.A OE1 no hydrogen 2.237 N/A VAL 932.A N MET 917.A O no hydrogen 2.758 N/A THR 933.A N SER 612.A O no hydrogen 2.862 N/A THR 933.A OG1 SER 612.A O no hydrogen 3.120 N/A THR 933.A OG1 LYS 912.A O no hydrogen 3.091 N/A TYR 934.A N TYR 914.A O no hydrogen 2.803 N/A TYR 934.A OH ASN 975.A O no hydrogen 2.550 N/A VAL 935.A N THR 610.A O no hydrogen 2.918 N/A ALA 937.A N ASN 608.A O no hydrogen 2.992 N/A LYS 940.A N ILE 605.A O no hydrogen 2.880 N/A PHE 942.A N ILE 603.A O no hydrogen 2.810 N/A THR 944.A N ASN 601.A O no hydrogen 2.865 N/A THR 944.A OG1 PHE 962.A O no hydrogen 2.368 N/A ILE 948.A N HIS 955.A O no hydrogen 2.941 N/A CYS 949.A N VAL 1000.A O no hydrogen 2.977 N/A HIS 950.A N LYS 953.A O no hydrogen 2.900 N/A HIS 950.A ND1 ASN 1002.A O no hydrogen 3.195 N/A LYS 953.A N HIS 950.A O no hydrogen 2.899 N/A ALA 954.A N GLY 991.A O no hydrogen 3.047 N/A PHE 956.A N PHE 988.A O no hydrogen 2.906 N/A ARG 958.A N ASN 986.A O no hydrogen 2.790 N/A ARG 958.A NE ASP 985.A O no hydrogen 3.013 N/A VAL 961.A N THR 972.A O no hydrogen 2.873 N/A VAL 963.A N PHE 970.A O no hydrogen 2.892 N/A SER 964.A OG HIS 968.A O no hydrogen 2.703 N/A GLY 966.A N SER 964.A OG no hydrogen 2.980 N/A THR 967.A N ASN 965.A OD1 no hydrogen 3.421 N/A THR 967.A OG1 HIS 968.A ND1 no hydrogen 2.905 N/A HIS 968.A N ASN 965.A OD1 no hydrogen 3.120 N/A PHE 970.A N VAL 963.A O no hydrogen 2.845 N/A VAL 971.A N GLN 980.A O no hydrogen 2.862 N/A THR 972.A N VAL 961.A O no hydrogen 2.950 N/A THR 972.A OG1 GLN 973.A O no hydrogen 3.408 N/A GLN 973.A NE2 THR 779.A OG1 no hydrogen 2.339 N/A TYR 977.A N PRO 606.A O no hydrogen 2.760 N/A GLU 978.A N THR 972.A OG1 no hydrogen 2.915 N/A GLN 980.A N VAL 971.A O no hydrogen 2.890 N/A THR 983.A N ASN 986.A OD1 no hydrogen 3.281 N/A THR 983.A OG1 TYR 1005.A O no hydrogen 3.271 N/A THR 984.A OG1 TYR 1005.A O no hydrogen 3.393 N/A THR 987.A N THR 984.A O no hydrogen 3.219 N/A THR 987.A OG1 THR 983.A O no hydrogen 3.020 N/A THR 987.A OG1 THR 984.A O no hydrogen 3.294 N/A PHE 988.A N PHE 956.A O no hydrogen 2.904 N/A CYS 993.A N GLY 952.A O no hydrogen 2.713 N/A CYS 993.A SG GLY 952.A O no hydrogen 3.319 N/A ASN 1002.A N CYS 949.A O no hydrogen 3.154 N/A GLN 1009.A N ASP 1006.A O no hydrogen 3.088 N/A GLU 1011.A N PRO 1007.A O no hydrogen 2.956 N/A LEU 1012.A N LEU 1008.A O no hydrogen 2.868 N/A ASP 1013.A N GLN 1009.A O no hydrogen 2.895 N/A