Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xny_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.661 N/A ILE 4.A N VAL 15.A O no hydrogen 2.689 N/A VAL 6.A N VAL 13.A O no hydrogen 2.924 N/A PHE 7.A N TRP 72.A O no hydrogen 3.143 N/A ASP 9.A N ILE 74.A O no hydrogen 2.695 N/A GLY 10.A N ASN 73.A OD1 no hydrogen 3.301 N/A GLN 11.A N VAL 8.A O no hydrogen 2.949 N/A SER 12.A OG GLU 5.A OE2 no hydrogen 2.519 N/A SER 12.A OG SER 12.A O no hydrogen 2.519 N/A VAL 15.A N ILE 4.A O no hydrogen 2.710 N/A THR 19.A OG1 GLU 16.A O no hydrogen 3.341 N/A THR 20.A N GLN 23.A OE1 no hydrogen 3.271 N/A THR 20.A OG1 ALA 63.A O no hydrogen 3.347 N/A VAL 21.A N MET 66.A O no hydrogen 2.958 N/A LEU 22.A N ALA 63.A O no hydrogen 2.647 N/A GLN 23.A N THR 20.A OG1 no hydrogen 3.075 N/A GLN 23.A NE2 TYR 37.A OH no hydrogen 3.062 N/A ALA 24.A N THR 20.A O no hydrogen 2.993 N/A CYS 25.A N VAL 21.A O no hydrogen 3.185 N/A CYS 25.A SG VAL 21.A O no hydrogen 3.355 N/A GLU 26.A N LEU 22.A O no hydrogen 3.158 N/A LYS 27.A N GLN 23.A O no hydrogen 3.397 N/A GLY 29.A N CYS 25.A O no hydrogen 2.859 N/A ARG 34.A NH2 GLU 39.A OE2 no hydrogen 3.070 N/A CYS 36.A SG PHE 35.A O no hydrogen 2.006 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.648 N/A ARG 40.A N HIS 38.A ND1 no hydrogen 3.344 N/A ARG 40.A NH2 GLU 251.A OE2 no hydrogen 3.024 N/A LEU 41.A N HIS 38.A O no hydrogen 3.053 N/A SER 42.A N GLU 160.A OE1 no hydrogen 3.268 N/A SER 42.A OG GLU 160.A OE2 no hydrogen 2.814 N/A CYS 47.A SG PHE 35.A O no hydrogen 2.846 N/A VAL 52.A N VAL 61.A O no hydrogen 2.967 N/A GLU 55.A N ASN 73.A O no hydrogen 2.845 N/A LYS 56.A N GLU 55.A OE2 no hydrogen 2.873 N/A VAL 61.A N VAL 52.A O no hydrogen 2.903 N/A ALA 65.A N ALA 62.A O no hydrogen 3.041 N/A MET 66.A N ALA 62.A O no hydrogen 3.021 N/A VAL 68.A N THR 19.A O no hydrogen 2.975 N/A LYS 70.A NZ GLU 5.A O no hydrogen 3.409 N/A GLY 71.A N GLU 5.A O no hydrogen 2.749 N/A ILE 74.A N PHE 7.A O no hydrogen 2.545 N/A LEU 75.A N GLU 53.A O no hydrogen 3.181 N/A THR 76.A OG1 ASP 9.A OD2 no hydrogen 3.272 N/A SER 78.A N SER 81.A OG no hydrogen 3.199 N/A SER 78.A OG GLU 53.A OE1 no hydrogen 3.537 N/A LYS 80.A N SER 78.A OG no hydrogen 3.392 N/A SER 81.A OG LEU 75.A O no hydrogen 3.462 N/A SER 81.A OG THR 76.A O no hydrogen 3.139 N/A SER 81.A OG SER 78.A O no hydrogen 3.459 N/A LYS 82.A NZ ASN 77.A OD1 no hydrogen 3.327 N/A ALA 84.A N LYS 80.A O no hydrogen 2.875 N/A ARG 85.A N LYS 82.A O no hydrogen 3.260 N/A GLU 86.A N LYS 82.A O no hydrogen 2.698 N/A MET 89.A N ARG 85.A O no hydrogen 2.988 N/A PHE 91.A N VAL 88.A O no hydrogen 2.604 N/A LEU 92.A N VAL 88.A O no hydrogen 2.997 N/A LEU 93.A N MET 89.A O no hydrogen 3.177 N/A ALA 94.A N PHE 91.A O no hydrogen 2.903 N/A HIS 96.A N LEU 93.A O no hydrogen 3.065 N/A ASP 99.A N PRO 97.A O no hydrogen 2.963 N/A ILE 102.A N ASP 99.A O no hydrogen 2.882 N/A CYS 103.A N ASP 99.A O no hydrogen 2.522 N/A CYS 103.A SG GLN 105.A O no hydrogen 3.806 N/A GLN 105.A NE2 ILE 195.A O no hydrogen 3.287 N/A GLN 105.A NE2 CYS 198.A O no hydrogen 3.270 N/A GLN 114.A NE2 ARG 34.A O no hydrogen 2.965 N/A SER 115.A N LEU 111.A O no hydrogen 3.322 N/A MET 116.A N GLN 112.A O no hydrogen 2.509 N/A PHE 118.A N GLN 114.A O no hydrogen 2.845 N/A GLY 119.A N SER 115.A O no hydrogen 3.116 N/A PHE 125.A N SER 123.A OG no hydrogen 3.190 N/A LYS 129.A NZ HIS 96.A O no hydrogen 3.099 N/A ARG 130.A NH1 GLN 150.A OE1 no hydrogen 2.772 N/A ARG 130.A NH2 ASN 174.A O no hydrogen 2.703 N/A LYS 135.A NZ GLU 183.A OE2 no hydrogen 3.385 N/A GLY 138.A N ASN 136.A OD1 no hydrogen 2.839 N/A LYS 142.A N THR 204.A O no hydrogen 2.486 N/A ILE 144.A N ALA 202.A O no hydrogen 2.312 N/A THR 146.A N ILE 144.A O no hydrogen 2.827 N/A ARG 147.A N ILE 144.A O no hydrogen 3.245 N/A ARG 147.A NE ASP 99.A OD2 no hydrogen 2.719 N/A ARG 147.A NH1 GLY 201.A O no hydrogen 2.905 N/A ARG 147.A NH2 ASP 99.A OD2 no hydrogen 2.623 N/A GLN 150.A NE2 MET 176.A O no hydrogen 2.932 N/A THR 152.A OG1 CYS 151.A O no hydrogen 2.827 N/A ARG 153.A NH1 ILE 197.A O no hydrogen 2.931 N/A ARG 156.A NE THR 152.A O no hydrogen 2.577 N/A ARG 156.A NH1 CYS 36.A O no hydrogen 2.836 N/A ARG 156.A NH1 SER 42.A O no hydrogen 2.456 N/A ARG 156.A NH2 CYS 36.A O no hydrogen 2.722 N/A PHE 157.A N ARG 153.A O no hydrogen 2.850 N/A ALA 158.A N CYS 154.A O no hydrogen 2.907 N/A SER 159.A N ARG 156.A O no hydrogen 2.599 N/A SER 159.A OG ILE 155.A O no hydrogen 3.004 N/A GLU 160.A N ARG 156.A O no hydrogen 2.584 N/A GLU 160.A N PHE 157.A O no hydrogen 3.106 N/A ILE 161.A N PHE 157.A O no hydrogen 3.025 N/A ALA 162.A N PHE 157.A O no hydrogen 3.202 N/A ASP 166.A N VAL 164.A O no hydrogen 2.923 N/A GLY 168.A N GLY 179.A O no hydrogen 3.074 N/A THR 170.A N GLN 177.A O no hydrogen 2.849 N/A THR 170.A OG1 GLN 177.A O no hydrogen 3.047 N/A ASN 174.A ND2 ASN 95.A OD1 no hydrogen 3.302 N/A MET 176.A N GLY 173.A O no hydrogen 3.122 N/A GLN 177.A N THR 170.A O no hydrogen 2.900 N/A GLY 179.A N GLY 168.A O no hydrogen 2.910 N/A THR 180.A OG1 ILE 182.A O no hydrogen 3.051 N/A THR 180.A OG1 LYS 184.A O no hydrogen 3.566 N/A PHE 186.A N ILE 137.A O no hydrogen 2.657 N/A MET 187.A N MET 185.A O no hydrogen 2.938 N/A SER 188.A OG GLU 189.A O no hydrogen 2.642 N/A SER 191.A OG PHE 186.A O no hydrogen 3.362 N/A GLY 192.A N ASP 260.A OD1 no hydrogen 2.690 N/A ASN 193.A N LEU 190.A O no hydrogen 3.388 N/A ASN 193.A ND2 ILE 258.A O no hydrogen 3.308 N/A VAL 194.A N SER 191.A O no hydrogen 3.217 N/A ILE 197.A N VAL 194.A O no hydrogen 2.990 N/A CYS 198.A N VAL 194.A O no hydrogen 2.807 N/A CYS 198.A SG VAL 200.A O no hydrogen 3.027 N/A THR 204.A N LYS 142.A O no hydrogen 2.873 N/A THR 204.A OG1 ASP 104.A OD1 no hydrogen 3.355 N/A THR 204.A OG1 ASP 104.A OD2 no hydrogen 2.731 N/A SER 205.A N THR 204.A OG1 no hydrogen 2.716 N/A SER 205.A OG TYR 208.A O no hydrogen 2.682 N/A LYS 206.A N LEU 140.A O no hydrogen 3.118 N/A LYS 206.A NZ GLY 138.A O no hydrogen 3.250 N/A ARG 213.A NH2 CYS 103.A O no hydrogen 2.577 N/A GLU 216.A N ARG 213.A O no hydrogen 3.193 N/A THR 217.A OG1 PRO 214.A O no hydrogen 2.832 N/A ARG 218.A N THR 237.A O no hydrogen 2.838 N/A THR 220.A N VAL 235.A O no hydrogen 3.174 N/A THR 220.A OG1 VAL 235.A O no hydrogen 3.282 N/A SER 222.A N ILE 233.A O no hydrogen 3.048 N/A ASP 224.A N SER 231.A O no hydrogen 2.802 N/A MET 226.A N ASP 224.A OD1 no hydrogen 2.732 N/A SER 231.A OG ASP 224.A OD2 no hydrogen 3.237 N/A ASN 232.A N ASN 254.A OD1 no hydrogen 2.564 N/A ILE 233.A N SER 222.A O no hydrogen 3.129 N/A VAL 234.A N LEU 246.A O no hydrogen 2.843 N/A VAL 235.A N THR 220.A O no hydrogen 2.860 N/A SER 236.A N ARG 244.A O no hydrogen 2.748 N/A THR 237.A N ARG 218.A O no hydrogen 2.691 N/A THR 237.A OG1 GLU 241.A O no hydrogen 3.326 N/A ARG 238.A N GLU 241.A O no hydrogen 3.337 N/A THR 239.A OG1 ARG 238.A O no hydrogen 2.785 N/A THR 239.A OG1 GLU 241.A OE1 no hydrogen 3.283 N/A GLU 241.A N ARG 238.A O no hydrogen 3.256 N/A MET 243.A N SER 236.A O no hydrogen 2.808 N/A ARG 244.A N SER 236.A O no hydrogen 3.378 N/A LEU 246.A N VAL 234.A O no hydrogen 3.176 N/A ARG 248.A NE ILE 233.A O no hydrogen 3.139 N/A HIS 250.A N ASN 254.A O no hydrogen 2.939 N/A HIS 250.A NE2 ASP 629.A OD1 no hydrogen 2.682 N/A ILE 253.A N HIS 250.A ND1 no hydrogen 3.480 N/A ASN 254.A ND2 ASN 232.A O no hydrogen 2.831 N/A ASN 254.A ND2 ARG 248.A O no hydrogen 3.432 N/A ASN 254.A ND2 TRP 257.A O no hydrogen 3.042 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.485 N/A GLU 256.A N ASN 254.A O no hydrogen 3.059 N/A ILE 258.A N ASN 193.A OD1 no hydrogen 3.313 N/A LYS 261.A NZ THR 669.A OG1 no hydrogen 2.360 N/A THR 262.A OG1 ASP 224.A OD1 no hydrogen 2.812 N/A THR 262.A OG1 THR 262.A O no hydrogen 2.423 N/A ARG 263.A NH1 ASN 193.A OD1 no hydrogen 2.560 N/A ARG 263.A NH1 ASP 196.A OD2 no hydrogen 2.476 N/A ARG 263.A NH2 ASP 196.A OD1 no hydrogen 3.198 N/A ARG 263.A NH2 ASP 196.A OD2 no hydrogen 2.603 N/A PHE 264.A N ASP 260.A O no hydrogen 3.386 N/A ALA 265.A N LYS 261.A O no hydrogen 3.250 N/A LYS 270.A N ASP 267.A O no hydrogen 2.888 N/A ARG 271.A N GLY 268.A O no hydrogen 3.478 N/A ARG 271.A NH1 ALA 675.A O no hydrogen 3.263 N/A ARG 273.A NH1 LEU 269.A O no hydrogen 3.557 N/A LEU 274.A N HIS 543.A O no hydrogen 2.453 N/A VAL 279.A N THR 287.A O no hydrogen 2.790 N/A ARG 280.A N ASP 553.A O no hydrogen 2.999 N/A ARG 280.A NH1 PRO 550.A O no hydrogen 2.497 N/A ARG 280.A NH2 GLY 284.A O no hydrogen 2.660 N/A ASN 281.A N LEU 285.A O no hydrogen 2.528 N/A ASN 281.A ND2 THR 287.A OG1 no hydrogen 3.399 N/A GLU 282.A N ASN 281.A OD1 no hydrogen 2.510 N/A GLY 284.A N ASN 281.A O no hydrogen 2.830 N/A THR 287.A N VAL 279.A O no hydrogen 2.912 N/A THR 289.A N PRO 277.A O no hydrogen 3.255 N/A THR 289.A OG1 ASP 293.A OD2 no hydrogen 3.144 N/A TRP 291.A NE1 LEU 587.A O no hydrogen 3.065 N/A ALA 294.A N SER 290.A O no hydrogen 3.088 N/A LEU 295.A N TRP 291.A O no hydrogen 2.704 N/A SER 296.A N GLU 292.A O no hydrogen 3.273 N/A SER 296.A OG GLU 292.A O no hydrogen 3.260 N/A ARG 297.A N ASP 293.A O no hydrogen 3.104 N/A VAL 298.A N ALA 294.A O no hydrogen 3.237 N/A ALA 299.A N LEU 295.A O no hydrogen 2.729 N/A GLY 300.A N SER 296.A O no hydrogen 2.826 N/A MET 301.A N ARG 297.A O no hydrogen 3.338 N/A LEU 302.A N VAL 298.A O no hydrogen 2.901 N/A GLN 303.A N ALA 299.A O no hydrogen 2.933 N/A ASN 304.A N GLY 300.A O no hydrogen 3.116 N/A PHE 305.A N MET 301.A O no hydrogen 2.922 N/A ALA 309.A N GLU 306.A O no hydrogen 3.302 N/A ALA 311.A N MET 516.A O no hydrogen 2.950 N/A ALA 314.A N CYS 339.A O no hydrogen 3.075 N/A ALA 320.A N THR 567.A O no hydrogen 3.035 N/A ALA 322.A N ASP 319.A OD1 no hydrogen 2.506 N/A LEU 323.A N ASP 319.A O no hydrogen 3.196 N/A VAL 324.A N ALA 320.A O no hydrogen 3.012 N/A ALA 325.A N GLU 321.A O no hydrogen 3.258 N/A ALA 325.A N ALA 322.A O no hydrogen 2.892 N/A LEU 326.A N ALA 322.A O no hydrogen 2.707 N/A LYS 327.A N LEU 323.A O no hydrogen 3.197 N/A LYS 327.A NZ LEU 500.A O no hydrogen 2.715 N/A ASP 328.A N VAL 324.A O no hydrogen 3.061 N/A LEU 329.A N ALA 325.A O no hydrogen 3.180 N/A LEU 330.A N LEU 326.A O no hydrogen 3.080 N/A ASN 331.A N LYS 327.A O no hydrogen 2.905 N/A LYS 332.A N ASP 328.A O no hydrogen 3.082 N/A LYS 332.A N LEU 329.A O no hydrogen 3.038 N/A VAL 333.A N LEU 329.A O no hydrogen 3.317 N/A SER 335.A OG VAL 310.A O no hydrogen 2.353 N/A ASN 337.A ND2 ASN 308.A OD1 no hydrogen 2.826 N/A LEU 338.A N ASP 336.A O no hydrogen 3.024 N/A CYS 339.A N ALA 312.A O no hydrogen 2.987 N/A CYS 339.A SG ASN 337.A O no hydrogen 3.921 N/A CYS 339.A SG LYS 503.A O no hydrogen 3.725 N/A THR 340.A OG1 GLU 342.A O no hydrogen 3.501 N/A THR 340.A OG1 GLN 494.A OE1 no hydrogen 3.568 N/A GLU 347.A N GLU 347.A OE1 no hydrogen 2.500 N/A GLY 348.A N THR 346.A O no hydrogen 2.649 N/A ASP 352.A N ALA 349.A O no hydrogen 2.912 N/A ARG 354.A NH1 ASP 499.A OD2 no hydrogen 2.735 N/A SER 355.A OG TYR 636.A O no hydrogen 3.122 N/A ASN 356.A N LEU 353.A O no hydrogen 3.078 N/A ASN 356.A ND2 GLY 350.A O no hydrogen 2.774 N/A TYR 357.A OH ASP 499.A OD1 no hydrogen 2.266 N/A LEU 358.A N SER 355.A O no hydrogen 3.373 N/A LEU 359.A N THR 571.A O no hydrogen 3.078 N/A ASN 360.A ND2 SER 355.A O no hydrogen 3.152 N/A THR 361.A OG1 LYS 483.A O no hydrogen 3.334 N/A ALA 364.A N THR 362.A OG1 no hydrogen 3.406 N/A GLY 365.A N THR 362.A O no hydrogen 2.814 N/A VAL 366.A N ILE 363.A O no hydrogen 3.175 N/A GLU 368.A N GLY 365.A O no hydrogen 2.868 N/A ALA 369.A N VAL 366.A O no hydrogen 3.479 N/A ASP 370.A N LYS 443.A O no hydrogen 2.849 N/A VAL 372.A N LYS 400.A O no hydrogen 3.170 N/A LEU 373.A N MET 445.A O no hydrogen 3.038 N/A LEU 374.A N ALA 402.A O no hydrogen 2.566 N/A VAL 375.A N VAL 447.A O no hydrogen 2.782 N/A GLY 376.A N ILE 404.A O no hydrogen 2.987 N/A ASN 378.A N GLU 382.A OE2 no hydrogen 3.363 N/A ASN 378.A ND2 GLN 660.A O no hydrogen 3.048 N/A ARG 380.A NE GLU 189.A OE1 no hydrogen 2.752 N/A ARG 380.A NE GLU 189.A OE2 no hydrogen 2.960 N/A PHE 381.A N ASN 378.A O no hydrogen 2.944 N/A GLU 382.A N ASN 378.A O no hydrogen 3.165 N/A GLU 382.A N PRO 379.A O no hydrogen 3.161 N/A ALA 383.A N PRO 379.A O no hydrogen 2.873 N/A PHE 386.A N ALA 383.A O no hydrogen 3.192 N/A ASN 387.A N ALA 383.A O no hydrogen 3.074 N/A ASN 387.A ND2 LEU 410.A O no hydrogen 3.516 N/A ALA 388.A N PRO 384.A O no hydrogen 2.902 N/A ARG 389.A NH2 GLU 251.A O no hydrogen 3.420 N/A ILE 390.A N PHE 386.A O no hydrogen 3.027 N/A ARG 391.A N ASN 387.A O no hydrogen 2.664 N/A LYS 392.A N ALA 388.A O no hydrogen 2.708 N/A SER 393.A N ARG 389.A O no hydrogen 3.040 N/A SER 393.A OG VAL 366.A O no hydrogen 3.322 N/A SER 393.A OG ARG 389.A O no hydrogen 3.481 N/A TRP 394.A N ILE 390.A O no hydrogen 3.141 N/A TRP 394.A N ARG 391.A O no hydrogen 3.075 N/A LEU 395.A N ARG 391.A O no hydrogen 3.226 N/A LEU 395.A N LYS 392.A O no hydrogen 3.186 N/A HIS 396.A N LYS 392.A O no hydrogen 2.849 N/A ASN 397.A ND2 GLU 367.A O no hydrogen 3.431 N/A ASP 398.A N ASN 397.A OD1 no hydrogen 2.124 N/A LEU 399.A N SER 393.A O no hydrogen 3.025 N/A LYS 400.A N ASP 370.A O no hydrogen 3.463 N/A LYS 400.A NZ ASP 370.A O no hydrogen 3.464 N/A LYS 400.A NZ ASP 370.A OD1 no hydrogen 3.510 N/A ALA 402.A N VAL 372.A O no hydrogen 2.837 N/A LEU 403.A N ASP 415.A O no hydrogen 2.932 N/A ILE 404.A N LEU 374.A O no hydrogen 2.828 N/A THR 411.A OG1 LEU 410.A O no hydrogen 2.675 N/A TYR 412.A OH ASN 387.A OD1 no hydrogen 2.966 N/A TYR 414.A OH VAL 408.A O no hydrogen 3.235 N/A ASP 415.A N VAL 401.A O no hydrogen 2.782 N/A LEU 417.A N LEU 403.A O no hydrogen 3.057 N/A SER 420.A OG ASP 419.A O no hydrogen 2.676 N/A ILE 423.A N SER 420.A O no hydrogen 3.327 N/A LEU 424.A N PRO 421.A O no hydrogen 2.767 N/A GLN 425.A N LYS 422.A O no hydrogen 2.754 N/A ASP 426.A N LYS 422.A O no hydrogen 3.282 N/A ILE 427.A N ILE 423.A O no hydrogen 3.080 N/A ALA 428.A N LEU 424.A O no hydrogen 3.183 N/A SER 429.A N GLN 425.A O no hydrogen 2.903 N/A SER 429.A OG GLN 425.A O no hydrogen 2.779 N/A GLY 430.A N ILE 427.A O no hydrogen 2.926 N/A ARG 431.A N ASP 426.A O no hydrogen 3.012 N/A ARG 431.A NE SER 429.A OG no hydrogen 3.406 N/A PHE 434.A N HIS 432.A ND1 no hydrogen 3.051 N/A CYS 435.A N HIS 432.A O no hydrogen 3.214 N/A CYS 435.A SG ILE 427.A O no hydrogen 3.607 N/A GLU 436.A N SER 433.A O no hydrogen 3.289 N/A LEU 438.A N PHE 434.A O no hydrogen 3.024 N/A LYS 439.A N CYS 435.A O no hydrogen 3.070 N/A LYS 439.A NZ CYS 435.A O no hydrogen 3.484 N/A ASP 440.A N GLU 436.A O no hydrogen 2.637 N/A ALA 441.A N LEU 438.A O no hydrogen 2.540 N/A MET 445.A N VAL 371.A O no hydrogen 2.921 N/A VAL 446.A N VAL 484.A O no hydrogen 2.698 N/A VAL 447.A N LEU 373.A O no hydrogen 3.285 N/A LEU 448.A N ASN 486.A O no hydrogen 3.394 N/A SER 450.A N LEU 488.A O no hydrogen 3.072 N/A SER 450.A OG LEU 488.A O no hydrogen 3.019 N/A SER 450.A OG HIS 489.A ND1 no hydrogen 2.977 N/A SER 451.A OG GLY 376.A O no hydrogen 2.968 N/A SER 451.A OG GLU 382.A OE1 no hydrogen 3.568 N/A SER 451.A OG GLU 382.A OE2 no hydrogen 2.691 N/A ALA 452.A N GLY 449.A O no hydrogen 2.742 N/A GLN 454.A N SER 450.A O no hydrogen 3.062 N/A ARG 455.A N ALA 452.A O no hydrogen 2.739 N/A ARG 455.A NE ASP 457.A OD1 no hydrogen 3.203 N/A ARG 455.A NH1 ASP 654.A O no hydrogen 2.809 N/A ARG 455.A NH2 ASP 457.A OD1 no hydrogen 2.896 N/A GLY 458.A N ARG 455.A O no hydrogen 3.363 N/A ILE 461.A N ASP 457.A O no hydrogen 2.805 N/A LEU 462.A N GLY 458.A O no hydrogen 2.909 N/A VAL 463.A N ALA 459.A O no hydrogen 3.101 N/A ALA 464.A N ALA 460.A O no hydrogen 2.793 N/A VAL 465.A N ILE 461.A O no hydrogen 2.976 N/A SER 466.A N LEU 462.A O no hydrogen 2.892 N/A SER 466.A OG LEU 462.A O no hydrogen 3.125 N/A ASN 467.A N VAL 463.A O no hydrogen 3.037 N/A MET 468.A N ALA 464.A O no hydrogen 3.279 N/A VAL 469.A N VAL 465.A O no hydrogen 2.886 N/A GLN 470.A N SER 466.A O no hydrogen 2.929 N/A GLN 470.A NE2 GLN 470.A O no hydrogen 3.464 N/A LYS 471.A N ASN 467.A O no hydrogen 2.966 N/A ILE 472.A N MET 468.A O no hydrogen 2.594 N/A ARG 473.A N VAL 469.A O no hydrogen 2.681 N/A ARG 473.A NH1 TRP 482.A O no hydrogen 2.701 N/A ARG 473.A NH2 ALA 479.A O no hydrogen 2.790 N/A ARG 473.A NH2 TRP 482.A O no hydrogen 3.551 N/A VAL 474.A N GLN 470.A O no hydrogen 2.980 N/A THR 475.A N LYS 471.A O no hydrogen 2.921 N/A THR 475.A OG1 LYS 471.A O no hydrogen 3.314 N/A THR 475.A OG1 ILE 472.A O no hydrogen 2.887 N/A THR 476.A N ILE 472.A O no hydrogen 2.745 N/A THR 476.A OG1 ILE 472.A O no hydrogen 2.638 N/A THR 476.A OG1 ARG 473.A O no hydrogen 3.002 N/A GLY 477.A N VAL 474.A O no hydrogen 3.156 N/A VAL 478.A N ARG 473.A O no hydrogen 3.406 N/A GLU 481.A N GLU 481.A OE1 no hydrogen 2.652 N/A TRP 482.A NE1 PRO 444.A O no hydrogen 2.518 N/A LYS 483.A NZ GLU 481.A O no hydrogen 3.417 N/A ASN 486.A N VAL 446.A O no hydrogen 3.209 N/A HIS 489.A NE2 TYR 357.A O no hydrogen 3.064 N/A SER 493.A N GLY 316.A O no hydrogen 3.108 N/A SER 493.A OG GLY 316.A O no hydrogen 2.706 N/A GLN 494.A NE2 GLU 342.A O no hydrogen 2.905 N/A LEU 498.A N GLN 494.A O no hydrogen 2.701 N/A ASP 499.A N VAL 495.A O no hydrogen 2.766 N/A LEU 500.A N ALA 496.A O no hydrogen 2.788 N/A GLY 501.A N ALA 497.A O no hydrogen 3.106 N/A GLY 501.A N LEU 498.A O no hydrogen 3.178 N/A TYR 502.A N ALA 497.A O no hydrogen 3.009 N/A TYR 502.A OH LEU 323.A O no hydrogen 2.636 N/A LYS 503.A N LEU 338.A O no hydrogen 3.315 N/A ARG 510.A N VAL 506.A O no hydrogen 2.929 N/A LYS 511.A N GLU 507.A O no hydrogen 3.157 N/A ASN 512.A N ALA 508.A O no hydrogen 3.434 N/A MET 516.A N ALA 309.A O no hydrogen 2.721 N/A LEU 517.A N PHE 537.A O no hydrogen 2.990 N/A PHE 518.A N ALA 311.A O no hydrogen 3.041 N/A LEU 520.A N ILE 313.A O no hydrogen 3.318 N/A GLY 524.A N GLU 341.A OE1 no hydrogen 3.159 N/A CYS 526.A SG GLU 341.A O no hydrogen 3.569 N/A CYS 526.A SG GLU 341.A OE2 no hydrogen 3.794 N/A ARG 529.A NH1 ASP 553.A OD1 no hydrogen 3.340 N/A ARG 529.A NH2 ASP 553.A OD1 no hydrogen 3.154 N/A GLN 530.A N THR 528.A OG1 no hydrogen 3.204 N/A ASP 531.A N THR 528.A O no hydrogen 2.646 N/A LEU 532.A N ARG 529.A O no hydrogen 3.080 N/A CYS 536.A SG ARG 529.A O no hydrogen 3.977 N/A PHE 537.A N LYS 515.A O no hydrogen 3.144 N/A VAL 539.A N LEU 517.A O no hydrogen 2.899 N/A TYR 540.A N VAL 554.A O no hydrogen 2.882 N/A TYR 540.A OH ASP 523.A OD2 no hydrogen 3.184 N/A TYR 540.A OH HIS 544.A O no hydrogen 3.229 N/A GLN 541.A N LEU 519.A O no hydrogen 2.602 N/A GLY 545.A N GLN 272.A O no hydrogen 3.117 N/A ASP 553.A N ILE 538.A O no hydrogen 2.653 N/A VAL 554.A N ILE 538.A O no hydrogen 3.351 N/A ILE 555.A N MET 278.A O no hydrogen 2.914 N/A LEU 556.A N TYR 540.A O no hydrogen 3.105 N/A GLY 558.A N GLY 542.A O no hydrogen 2.754 N/A ALA 559.A N ASP 591.A OD1 no hydrogen 3.149 N/A GLU 563.A N ALA 560.A O no hydrogen 2.672 N/A LYS 564.A NZ TYR 568.A OH no hydrogen 3.508 N/A THR 567.A OG1 GLU 321.A OE2 no hydrogen 3.502 N/A TYR 568.A N GLN 576.A O no hydrogen 2.973 N/A TYR 568.A OH LEU 317.A O no hydrogen 2.922 N/A ASN 570.A ND2 VAL 229.A O no hydrogen 3.415 N/A THR 571.A N ALA 228.A O no hydrogen 3.204 N/A THR 571.A OG1 GLU 572.A OE1 no hydrogen 3.186 N/A GLY 573.A N ASN 570.A O no hydrogen 3.024 N/A GLN 576.A N TYR 568.A O no hydrogen 2.676 N/A THR 578.A N ALA 566.A O no hydrogen 2.899 N/A THR 578.A OG1 LYS 564.A O no hydrogen 2.916 N/A THR 578.A OG1 ALA 566.A O no hydrogen 3.052 N/A ALA 581.A N THR 562.A O no hydrogen 2.975 N/A VAL 582.A N THR 562.A O no hydrogen 3.121 N/A ILE 594.A N GLU 590.A O no hydrogen 3.273 N/A ILE 595.A N ASP 591.A O no hydrogen 3.468 N/A ARG 596.A N TRP 592.A O no hydrogen 2.964 N/A ARG 596.A NE TYR 608.A O no hydrogen 3.048 N/A ARG 596.A NH1 GLU 600.A OE1 no hydrogen 3.216 N/A ALA 597.A N LYS 593.A O no hydrogen 2.656 N/A LEU 598.A N ILE 594.A O no hydrogen 2.796 N/A SER 599.A N ILE 595.A O no hydrogen 3.106 N/A SER 599.A OG ILE 595.A O no hydrogen 2.851 N/A GLU 600.A N ARG 596.A O no hydrogen 3.122 N/A ILE 601.A N ALA 597.A O no hydrogen 2.923 N/A ALA 602.A N LEU 598.A O no hydrogen 2.757 N/A GLY 603.A N SER 599.A O no hydrogen 2.580 N/A ASP 609.A N GLN 613.A OE1 no hydrogen 3.008 N/A THR 610.A OG1 ASP 612.A OD1 no hydrogen 2.577 N/A VAL 614.A N THR 610.A O no hydrogen 3.249 N/A ARG 615.A N LEU 611.A O no hydrogen 2.758 N/A ARG 615.A NE GLU 321.A OE2 no hydrogen 2.936 N/A ARG 615.A NH2 SER 565.A O no hydrogen 2.650 N/A ASN 616.A N ASP 612.A O no hydrogen 2.826 N/A ARG 617.A N GLN 613.A O no hydrogen 2.840 N/A ARG 617.A NE ASP 328.A OD2 no hydrogen 2.511 N/A ARG 617.A NH1 GLU 620.A OE1 no hydrogen 2.700 N/A ARG 617.A NH2 ASP 328.A OD1 no hydrogen 2.807 N/A LEU 618.A N VAL 614.A O no hydrogen 2.833 N/A GLU 619.A N ARG 615.A O no hydrogen 3.090 N/A GLU 620.A N ARG 617.A O no hydrogen 2.893 N/A VAL 621.A N ARG 617.A O no hydrogen 3.202 N/A SER 622.A N LEU 618.A O no hydrogen 2.885 N/A SER 622.A OG ASP 499.A O no hydrogen 2.567 N/A ASP 629.A N ALA 575.A O no hydrogen 2.813 N/A ASN 635.A ND2 ALA 480.A O no hydrogen 2.956 N/A GLN 639.A N GLN 639.A OE1 no hydrogen 2.754 N/A SER 641.A N PHE 637.A O no hydrogen 3.035 N/A GLU 642.A N GLN 638.A O no hydrogen 3.357 N/A LEU 643.A N GLN 639.A O no hydrogen 3.271 N/A ALA 644.A N ALA 640.A O no hydrogen 3.021 N/A LYS 645.A N SER 641.A O no hydrogen 2.700 N/A LEU 646.A N GLU 642.A O no hydrogen 3.144 N/A VAL 647.A N LEU 643.A O no hydrogen 3.034 N/A LEU 652.A N ASP 457.A OD2 no hydrogen 2.836 N/A THR 662.A N ASP 665.A OD2 no hydrogen 3.380 N/A ASP 665.A N THR 662.A O no hydrogen 2.895 N/A TYR 667.A N ILE 663.A O no hydrogen 3.210 N/A THR 669.A N SER 673.A OG no hydrogen 2.882 N/A ASP 670.A N SER 673.A OG no hydrogen 2.598 N/A SER 673.A N ASP 670.A O no hydrogen 2.676 N/A SER 673.A OG ASP 670.A O no hydrogen 2.706 N/A SER 673.A OG ASP 670.A OD1 no hydrogen 3.161 N/A ARG 674.A N ASP 670.A O no hydrogen 2.524 N/A ARG 674.A NE ASP 546.A OD2 no hydrogen 2.833 N/A ARG 674.A NH2 ASP 546.A OD2 no hydrogen 2.518 N/A ALA 675.A N SER 671.A O no hydrogen 3.201 N/A SER 676.A N SER 673.A O no hydrogen 2.858 N/A SER 676.A OG ILE 672.A O no hydrogen 2.912 N/A SER 676.A OG SER 673.A O no hydrogen 3.275 N/A THR 678.A OG1 ASP 267.A OD2 no hydrogen 2.778 N/A ALA 680.A N SER 676.A O no hydrogen 2.917 N/A LYS 681.A N GLN 677.A O no hydrogen 2.822 N/A CYS 682.A N THR 678.A O no hydrogen 2.908 N/A CYS 682.A SG THR 678.A O no hydrogen 3.053 N/A VAL 683.A N MET 679.A O no hydrogen 2.750 N/A LYS 684.A N ALA 680.A O no hydrogen 3.071 N/A LYS 684.A NZ ALA 680.A O no hydrogen 2.933 N/A ALA 685.A N LYS 681.A O no hydrogen 3.071 N/A VAL 686.A N CYS 682.A O no hydrogen 3.084 N/A THR 687.A N VAL 683.A O no hydrogen 2.971 N/A THR 687.A OG1 VAL 683.A O no hydrogen 3.135 N/A THR 687.A OG1 LYS 684.A O no hydrogen 3.357 N/A