Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8g5p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N LEU 2.A O no hydrogen 2.965 N/A HIS 7.A N LEU 860.A O no hydrogen 3.072 N/A HIS 7.A ND1 LEU 860.A O no hydrogen 2.685 N/A VAL 23.A N GLY 19.A O no hydrogen 2.942 N/A ARG 24.A N GLU 20.A O no hydrogen 2.903 N/A ARG 24.A NE GLU 20.A OE2 no hydrogen 3.050 N/A ARG 24.A NH2 GLU 20.A OE2 no hydrogen 2.807 N/A ARG 25.A N ALA 21.A O no hydrogen 2.897 N/A SER 26.A N ALA 22.A O no hydrogen 2.898 N/A SER 26.A OG ALA 22.A O no hydrogen 2.852 N/A VAL 27.A N VAL 23.A O no hydrogen 2.889 N/A GLU 28.A N ARG 24.A O no hydrogen 2.932 N/A HIS 29.A N ARG 25.A O no hydrogen 2.918 N/A LEU 30.A N SER 26.A O no hydrogen 2.892 N/A GLN 31.A N VAL 27.A O no hydrogen 2.922 N/A LYS 32.A NZ GLU 28.A O no hydrogen 2.968 N/A TYR 54.A N HIS 61.A ND1 no hydrogen 3.345 N/A ASP 56.A N GLN 60.A OE1 no hydrogen 2.929 N/A PHE 62.A N LEU 58.A O no hydrogen 2.897 N/A ARG 63.A N ASP 59.A O no hydrogen 2.903 N/A LEU 64.A N GLN 60.A O no hydrogen 2.893 N/A LEU 65.A N HIS 61.A O no hydrogen 2.937 N/A ALA 66.A N PHE 62.A O no hydrogen 2.896 N/A GLN 67.A N ARG 63.A O no hydrogen 2.931 N/A LYS 68.A N LEU 64.A O no hydrogen 2.891 N/A GLN 69.A N LEU 65.A O no hydrogen 2.929 N/A GLN 69.A NE2 VAL 801.A O no hydrogen 2.927 N/A SER 70.A N ALA 66.A O no hydrogen 2.910 N/A SER 70.A N GLN 67.A O no hydrogen 3.250 N/A SER 70.A OG ALA 66.A O no hydrogen 3.248 N/A LEU 71.A N GLN 67.A O no hydrogen 2.912 N/A TYR 73.A N SER 70.A O no hydrogen 3.275 N/A TYR 73.A OH ARG 199.A O no hydrogen 2.097 N/A LEU 74.A N SER 70.A O no hydrogen 2.641 N/A GLU 75.A N LEU 71.A O no hydrogen 2.943 N/A ALA 77.A N TYR 73.A O no hydrogen 2.923 N/A ASN 78.A N LEU 74.A O no hydrogen 2.896 N/A LEU 79.A N GLU 75.A O no hydrogen 2.900 N/A LEU 80.A N ALA 76.A O no hydrogen 2.942 N/A LEU 81.A N ALA 77.A O no hydrogen 2.901 N/A GLN 82.A N ASN 78.A O no hydrogen 3.265 N/A TRP 98.A NE1 ASP 166.A OD1 no hydrogen 2.543 N/A THR 99.A N SER 145.A O no hydrogen 2.913 N/A ARG 100.A N VAL 108.A O no hydrogen 2.886 N/A ARG 100.A NH1 TYR 144.A OH no hydrogen 2.787 N/A TYR 101.A N TRP 143.A O no hydrogen 2.886 N/A TYR 101.A OH ALA 91.A O no hydrogen 2.681 N/A GLY 102.A N GLU 106.A O no hydrogen 2.877 N/A GLU 106.A N GLY 102.A O no hydrogen 2.938 N/A VAL 108.A N ARG 100.A O no hydrogen 2.915 N/A VAL 110.A N TRP 98.A O no hydrogen 2.900 N/A ARG 116.A NE GLN 173.A OE1 no hydrogen 2.781 N/A VAL 119.A N ILE 138.A O no hydrogen 3.253 N/A PHE 120.A N VAL 178.A O no hydrogen 3.006 N/A ALA 123.A N LEU 134.A O no hydrogen 3.025 N/A CYS 125.A SG GLU 128.A OE1 no hydrogen 3.180 N/A LEU 126.A N PHE 265.A O no hydrogen 3.109 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.443 N/A CYS 131.A SG PRO 132.A O no hydrogen 3.419 N/A THR 133.A N ALA 123.A O no hydrogen 2.912 N/A THR 133.A OG1 ALA 123.A O no hydrogen 3.052 N/A ALA 135.A N TRP 146.A O no hydrogen 2.909 N/A ALA 137.A N TYR 144.A O no hydrogen 2.915 N/A ILE 138.A N VAL 119.A O no hydrogen 3.335 N/A SER 139.A OG ALA 142.A O no hydrogen 2.732 N/A SER 141.A OG GLU 115.A OE2 no hydrogen 2.436 N/A TYR 144.A N ALA 137.A O no hydrogen 2.890 N/A SER 145.A N THR 99.A O no hydrogen 2.898 N/A SER 145.A OG THR 99.A O no hydrogen 3.449 N/A TRP 146.A N ALA 135.A O no hydrogen 2.886 N/A CYS 147.A SG ALA 93.A O no hydrogen 3.360 N/A CYS 147.A SG ALA 95.A O no hydrogen 3.677 N/A SER 148.A OG PRO 132.A O no hydrogen 2.460 N/A SER 148.A OG SER 148.A O no hydrogen 2.465 N/A SER 157.A OG TYR 156.A O no hydrogen 2.413 N/A THR 159.A OG1 TRP 158.A O no hydrogen 2.335 N/A SER 160.A OG SER 163.A OG no hydrogen 2.701 N/A SER 163.A OG SER 160.A OG no hydrogen 2.701 N/A ALA 165.A N HIS 188.A O no hydrogen 3.208 N/A LEU 176.A N ARG 116.A O no hydrogen 3.209 N/A VAL 177.A N ARG 201.A O no hydrogen 3.088 N/A VAL 178.A N LEU 118.A O no hydrogen 3.082 N/A GLY 179.A N LEU 203.A O no hydrogen 3.238 N/A HIS 180.A ND1 THR 205.A OG1 no hydrogen 2.932 N/A ASN 181.A N ASP 204.A OD1 no hydrogen 2.978 N/A SER 183.A OG ASN 181.A OD1 no hydrogen 2.966 N/A PHE 184.A N ASN 181.A OD1 no hydrogen 3.117 N/A ASP 185.A N ASN 181.A O no hydrogen 3.430 N/A ARG 186.A N VAL 182.A O no hydrogen 2.847 N/A ARG 186.A NH2 GLN 192.A OE1 no hydrogen 3.194 N/A ALA 187.A N SER 183.A O no hydrogen 3.085 N/A ALA 187.A N PHE 184.A O no hydrogen 3.210 N/A HIS 188.A N ASP 185.A O no hydrogen 2.704 N/A ARG 190.A NE ALA 165.A O no hydrogen 3.024 N/A TYR 193.A OH ALA 187.A O no hydrogen 2.479 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.270 N/A GLN 196.A NE2 ALA 559.A O no hydrogen 3.612 N/A ARG 201.A N GLN 175.A O no hydrogen 3.299 N/A ARG 201.A NH1 SER 198.A O no hydrogen 2.539 N/A ARG 201.A NH1 MET 200.A O no hydrogen 2.677 N/A ARG 201.A NH2 SER 198.A O no hydrogen 3.287 N/A LEU 203.A N VAL 177.A O no hydrogen 2.858 N/A THR 205.A N GLY 179.A O no hydrogen 2.985 N/A THR 205.A OG1 GLY 179.A O no hydrogen 3.161 N/A THR 205.A OG1 HIS 180.A ND1 no hydrogen 2.932 N/A MET 206.A N ASP 204.A OD1 no hydrogen 3.100 N/A SER 207.A N ASP 204.A O no hydrogen 2.759 N/A SER 207.A OG ASP 204.A O no hydrogen 2.625 N/A MET 208.A N ASP 204.A O no hydrogen 3.411 N/A HIS 209.A N THR 205.A O no hydrogen 2.871 N/A MET 210.A N MET 206.A O no hydrogen 2.870 N/A ALA 211.A N SER 207.A O no hydrogen 3.282 N/A ILE 212.A N MET 208.A O no hydrogen 3.075 N/A SER 213.A OG ILE 212.A O no hydrogen 2.735 N/A SER 213.A OG ILE 238.A O no hydrogen 3.264 N/A SER 213.A OG TYR 251.A OH no hydrogen 2.091 N/A ARG 220.A N SER 217.A O no hydrogen 3.217 N/A ARG 220.A NH2 VAL 241.A O no hydrogen 2.594 N/A SER 221.A N PHE 218.A O no hydrogen 3.322 N/A SER 221.A OG PHE 218.A O no hydrogen 3.025 N/A TRP 223.A N GLN 219.A O no hydrogen 2.883 N/A ILE 224.A N ARG 220.A O no hydrogen 2.942 N/A ALA 225.A N SER 221.A O no hydrogen 3.225 N/A ALA 226.A N LEU 222.A O no hydrogen 3.045 N/A SER 231.A OG ILE 230.A O no hydrogen 2.624 N/A SER 239.A OG TRP 235.A O no hydrogen 3.113 N/A SER 240.A OG GLU 246.A O no hydrogen 3.310 N/A VAL 247.A N SER 243.A O no hydrogen 2.914 N/A HIS 248.A N LEU 244.A O no hydrogen 2.901 N/A HIS 248.A NE2 GLU 293.A OE1 no hydrogen 2.293 N/A ARG 249.A N ALA 245.A O no hydrogen 2.914 N/A LEU 250.A N GLU 246.A O no hydrogen 2.906 N/A TYR 251.A N VAL 247.A O no hydrogen 2.897 N/A TYR 251.A OH ILE 212.A O no hydrogen 2.661 N/A VAL 252.A N HIS 248.A O no hydrogen 2.725 N/A GLU 263.A N GLU 260.A OE1 no hydrogen 2.525 N/A LYS 267.A N GLU 263.A O no hydrogen 3.300 N/A LYS 267.A NZ GLU 263.A OE1 no hydrogen 2.802 N/A ILE 273.A N THR 269.A O no hydrogen 3.148 N/A ARG 274.A N MET 270.A O no hydrogen 2.904 N/A ARG 274.A NH2 ARG 150.A O no hydrogen 3.016 N/A GLU 275.A N LYS 271.A O no hydrogen 2.908 N/A ASN 276.A N ASP 272.A O no hydrogen 2.744 N/A ASN 276.A ND2 ASP 272.A O no hydrogen 2.724 N/A GLN 278.A NE2 TRP 92.A O no hydrogen 3.625 N/A LEU 280.A N ASN 276.A O no hydrogen 3.341 N/A MET 281.A N PHE 277.A O no hydrogen 2.934 N/A GLN 282.A N GLN 278.A O no hydrogen 2.898 N/A TYR 283.A N ASP 279.A O no hydrogen 2.901 N/A CYS 284.A N LEU 280.A O no hydrogen 2.923 N/A ALA 285.A N MET 281.A O no hydrogen 2.901 N/A GLN 286.A N GLN 282.A O no hydrogen 2.867 N/A ASP 287.A N TYR 283.A O no hydrogen 2.926 N/A VAL 288.A N CYS 284.A O no hydrogen 2.924 N/A TRP 289.A N ALA 285.A O no hydrogen 2.877 N/A TRP 289.A NE1 GLU 293.A OE2 no hydrogen 2.599 N/A ALA 290.A N GLN 286.A O no hydrogen 2.901 N/A THR 291.A N ASP 287.A O no hydrogen 2.908 N/A THR 291.A OG1 ASP 287.A O no hydrogen 2.938 N/A HIS 292.A N VAL 288.A O no hydrogen 2.887 N/A GLU 293.A N TRP 289.A O no hydrogen 2.931 N/A VAL 294.A N ALA 290.A O no hydrogen 2.936 N/A PHE 295.A N THR 291.A O no hydrogen 2.872 N/A GLN 296.A N HIS 292.A O no hydrogen 2.894 N/A GLN 297.A N GLU 293.A O no hydrogen 2.961 N/A GLN 298.A N VAL 294.A O no hydrogen 2.872 N/A GLN 298.A N PHE 295.A O no hydrogen 3.256 N/A LEU 299.A N PHE 295.A O no hydrogen 2.904 N/A PHE 302.A N GLN 298.A O no hydrogen 2.427 N/A LEU 303.A N LEU 299.A O no hydrogen 2.927 N/A GLU 304.A N PRO 300.A O no hydrogen 2.896 N/A ARG 305.A N LEU 301.A O no hydrogen 2.878 N/A ARG 305.A NH1 GLU 771.A OE2 no hydrogen 3.442 N/A CYS 306.A N PHE 302.A O no hydrogen 3.053 N/A CYS 306.A SG PHE 302.A O no hydrogen 3.313 N/A CYS 306.A SG CYS 306.A O no hydrogen 2.806 N/A ALA 313.A N PRO 309.A O no hydrogen 3.484 N/A GLY 314.A N VAL 310.A O no hydrogen 2.875 N/A MET 315.A N THR 311.A O no hydrogen 2.930 N/A LEU 316.A N LEU 312.A O no hydrogen 2.886 N/A GLU 317.A N ALA 313.A O no hydrogen 2.925 N/A MET 318.A N GLY 314.A O no hydrogen 2.811 N/A GLY 319.A N MET 315.A O no hydrogen 3.078 N/A VAL 320.A N GLU 317.A O no hydrogen 3.432 N/A TYR 322.A OH TYR 193.A O no hydrogen 2.102 N/A VAL 325.A N GLY 577.A O no hydrogen 3.117 N/A TYR 332.A N ASN 328.A O no hydrogen 2.769 N/A LEU 333.A N TRP 329.A O no hydrogen 2.978 N/A ALA 334.A N GLU 330.A O no hydrogen 3.202 N/A GLU 335.A N ARG 331.A O no hydrogen 3.300 N/A ALA 336.A N TYR 332.A O no hydrogen 3.206 N/A GLN 337.A N LEU 333.A O no hydrogen 3.159 N/A GLY 338.A N ALA 334.A O no hydrogen 2.883 N/A THR 339.A N GLU 335.A O no hydrogen 2.926 N/A THR 339.A OG1 GLU 335.A O no hydrogen 2.910 N/A TYR 340.A N ALA 336.A O no hydrogen 2.894 N/A GLU 341.A N GLN 337.A O no hydrogen 2.891 N/A GLU 342.A N GLY 338.A O no hydrogen 2.931 N/A LEU 343.A N THR 339.A O no hydrogen 2.929 N/A GLN 344.A N TYR 340.A O no hydrogen 2.902 N/A ARG 345.A N GLU 341.A O no hydrogen 2.887 N/A GLU 346.A N GLU 342.A O no hydrogen 2.850 N/A MET 347.A N LEU 343.A O no hydrogen 2.885 N/A LYS 348.A N GLN 344.A O no hydrogen 2.819 N/A LYS 348.A NZ PRO 439.A O no hydrogen 3.452 N/A LYS 349.A N ARG 345.A O no hydrogen 2.789 N/A SER 350.A N GLU 346.A O no hydrogen 3.103 N/A SER 350.A OG GLU 346.A O no hydrogen 2.902 N/A LEU 351.A N MET 347.A O no hydrogen 3.107 N/A MET 352.A N LYS 348.A O no hydrogen 3.140 N/A ASP 353.A N LYS 349.A O no hydrogen 3.051 N/A LEU 354.A N SER 350.A O no hydrogen 2.932 N/A ALA 355.A N LEU 351.A O no hydrogen 2.903 N/A ASN 356.A N MET 352.A O no hydrogen 2.887 N/A ASP 357.A N ASP 353.A O no hydrogen 2.916 N/A ALA 358.A N LEU 354.A O no hydrogen 2.923 N/A CYS 359.A N ASN 356.A O no hydrogen 3.159 N/A CYS 359.A SG ALA 355.A O no hydrogen 3.830 N/A GLN 360.A N ASP 357.A O no hydrogen 3.372 N/A SER 363.A N GLN 360.A O no hydrogen 3.189 N/A SER 363.A OG GLN 360.A O no hydrogen 3.122 N/A TYR 367.A N LEU 361.A O no hydrogen 2.930 N/A LYS 368.A N GLU 365.A O no hydrogen 3.432 N/A ASP 370.A N TYR 367.A O no hydrogen 3.271 N/A TRP 372.A N ASP 370.A OD1 no hydrogen 3.331 N/A TRP 378.A NE1 LEU 373.A O no hydrogen 3.063 N/A SER 384.A OG SER 384.A O no hydrogen 2.582 N/A PHE 389.A N GLU 386.A O no hydrogen 3.215 N/A PHE 389.A N GLU 388.A OE1 no hydrogen 2.839 N/A GLN 390.A N GLU 386.A O no hydrogen 2.557 N/A GLN 391.A N GLU 387.A O no hydrogen 3.524 N/A GLN 391.A NE2 GLU 387.A OE1 no hydrogen 2.667 N/A MET 394.A N ASP 392.A OD1 no hydrogen 2.881 N/A GLN 400.A N ALA 397.A O no hydrogen 2.836 N/A THR 405.A OG1 GLY 404.A O no hydrogen 2.443 N/A THR 406.A OG1 THR 405.A O no hydrogen 2.577 N/A THR 406.A OG1 GLU 407.A OE2 no hydrogen 2.985 N/A ARG 412.A NH2 HIS 415.A ND1 no hydrogen 3.135 N/A ARG 412.A NH2 ARG 424.A O no hydrogen 3.237 N/A GLN 414.A NE2 GLU 382.A O no hydrogen 3.234 N/A HIS 415.A NE2 PRO 428.A O no hydrogen 2.314 N/A TYR 423.A OH ASN 356.A OD1 no hydrogen 2.607 N/A ARG 424.A N PRO 420.A O no hydrogen 2.756 N/A ARG 424.A NE HIS 415.A O no hydrogen 3.050 N/A ARG 424.A NE LEU 416.A O no hydrogen 3.607 N/A ARG 424.A NH2 ASP 379.A O no hydrogen 3.468 N/A LYS 425.A N GLY 421.A O no hydrogen 2.898 N/A LYS 425.A NZ GLU 377.A OE1 no hydrogen 3.402 N/A LYS 425.A NZ GLU 377.A OE2 no hydrogen 3.400 N/A LEU 426.A N TRP 422.A O no hydrogen 2.962 N/A CYS 427.A N TYR 423.A O no hydrogen 3.107 N/A CYS 427.A SG TYR 423.A O no hydrogen 3.753 N/A CYS 427.A SG GLY 438.A O no hydrogen 3.433 N/A ALA 434.A N ASP 432.A O no hydrogen 2.699 N/A SER 440.A N GLY 438.A O no hydrogen 2.820 N/A MET 446.A N SER 443.A O no hydrogen 3.430 N/A THR 449.A OG1 SER 443.A O no hydrogen 2.711 N/A LYS 451.A NZ ASP 375.A OD1 no hydrogen 2.844 N/A LYS 451.A NZ ASP 375.A OD2 no hydrogen 3.141 N/A LEU 452.A N VAL 448.A O no hydrogen 2.991 N/A LEU 452.A N THR 449.A O no hydrogen 3.014 N/A MET 453.A N THR 449.A O no hydrogen 2.798 N/A HIS 463.A N PRO 461.A O no hydrogen 2.742 N/A SER 465.A OG SER 465.A O no hydrogen 2.535 N/A ARG 467.A NE GLU 466.A OE2 no hydrogen 2.915 N/A ARG 467.A NH2 GLU 466.A OE2 no hydrogen 3.363 N/A TRP 470.A N PRO 461.A O no hydrogen 3.490 N/A TYR 472.A OH PRO 475.A O no hydrogen 2.514 N/A ASN 479.A ND2 CYS 486.A O no hydrogen 3.444 N/A VAL 481.A N ASP 480.A OD1 no hydrogen 2.518 N/A CYS 486.A SG LYS 368.A O no hydrogen 3.770 N/A LYS 494.A NZ ARG 467.A O no hydrogen 3.424 N/A ASN 497.A N ASP 495.A O no hydrogen 2.667 N/A CYS 499.A SG ASN 500.A O no hydrogen 3.386 N/A CYS 499.A SG SER 503.A OG no hydrogen 3.318 N/A ASN 500.A N ASN 497.A O no hydrogen 3.352 N/A GLY 502.A N CYS 499.A O no hydrogen 2.919 N/A GLU 514.A N GLU 514.A OE1 no hydrogen 2.648 N/A LEU 518.A N GLN 519.A OE1 no hydrogen 2.894 N/A ALA 530.A N GLY 527.A O no hydrogen 3.145 N/A GLU 532.A N PRO 528.A O no hydrogen 2.926 N/A ASN 534.A N ALA 530.A O no hydrogen 2.903 N/A LYS 535.A N LEU 531.A O no hydrogen 2.893 N/A LYS 535.A NZ GLU 514.A OE2 no hydrogen 3.016 N/A MET 536.A N GLU 532.A O no hydrogen 2.986 N/A ILE 537.A N ILE 533.A O no hydrogen 2.899 N/A ILE 537.A N ASN 534.A O no hydrogen 3.092 N/A SER 538.A N ASN 534.A O no hydrogen 2.935 N/A TRP 540.A NE1 GLN 337.A OE1 no hydrogen 3.154 N/A ARG 541.A N ILE 537.A O no hydrogen 2.954 N/A ASN 542.A N PHE 539.A O no hydrogen 3.232 N/A ALA 543.A N TRP 540.A O no hydrogen 3.155 N/A HIS 544.A N TRP 540.A O no hydrogen 2.892 N/A HIS 544.A ND1 TRP 540.A O no hydrogen 3.143 N/A ILE 547.A N ALA 543.A O no hydrogen 2.914 N/A SER 548.A N HIS 544.A O no hydrogen 2.879 N/A SER 548.A OG HIS 544.A O no hydrogen 2.098 N/A SER 548.A OG LYS 545.A O no hydrogen 3.337 N/A SER 549.A OG LYS 545.A O no hydrogen 3.063 N/A SER 549.A OG SER 548.A O no hydrogen 2.346 N/A GLN 550.A NE2 ARG 546.A O no hydrogen 2.880 N/A VAL 553.A N ALA 578.A O no hydrogen 3.471 N/A LEU 555.A N TYR 576.A O no hydrogen 2.885 N/A ARG 557.A NE TYR 570.A OH no hydrogen 3.269 N/A ARG 557.A NH2 TYR 570.A OH no hydrogen 3.336 N/A LEU 560.A N ARG 557.A O no hydrogen 3.217 N/A HIS 567.A N VAL 564.A O no hydrogen 3.434 N/A ASP 569.A N HIS 567.A ND1 no hydrogen 3.323 N/A GLU 572.A N GLU 572.A OE1 no hydrogen 2.333 N/A LEU 575.A N GLN 327.A OE1 no hydrogen 3.276 N/A ALA 578.A N VAL 553.A O no hydrogen 3.182 N/A ILE 579.A N LEU 323.A O no hydrogen 2.852 N/A GLY 587.A N ARG 592.A O no hydrogen 3.438 N/A ILE 589.A N THR 588.A OG1 no hydrogen 2.661 N/A ARG 591.A NH2 ASP 794.A OD2 no hydrogen 3.409 N/A ARG 592.A N THR 590.A OG1 no hydrogen 3.037 N/A THR 597.A N GLU 595.A OE1 no hydrogen 2.636 N/A THR 597.A OG1 THR 597.A O no hydrogen 2.320 N/A LEU 599.A N GLU 595.A O no hydrogen 3.366 N/A SER 602.A N THR 600.A O no hydrogen 3.036 N/A SER 602.A OG ALA 601.A O no hydrogen 2.769 N/A ARG 608.A NE ASP 607.A O no hydrogen 2.874 N/A VAL 609.A N MET 536.A O no hydrogen 2.924 N/A SER 611.A OG ARG 605.A O no hydrogen 3.565 N/A LYS 614.A NZ THR 600.A O no hydrogen 3.382 N/A ALA 615.A N GLU 612.A O no hydrogen 3.001 N/A GLN 618.A NE2 ASN 328.A OD1 no hydrogen 2.742 N/A TYR 623.A N PRO 620.A O no hydrogen 3.218 N/A THR 624.A N VAL 828.A O no hydrogen 2.883 N/A THR 624.A OG1 ASP 873.A O no hydrogen 2.053 N/A LEU 625.A N ASP 873.A O no hydrogen 2.887 N/A VAL 626.A N TYR 826.A O no hydrogen 2.895 N/A GLY 627.A N ASP 871.A O no hydrogen 2.889 N/A ALA 628.A N VAL 824.A O no hydrogen 2.892 N/A VAL 630.A N ASP 822.A O no hydrogen 3.485 N/A GLU 634.A N GLU 634.A OE2 no hydrogen 2.408 N/A TRP 636.A N SER 632.A O no hydrogen 3.102 N/A ILE 637.A N GLN 633.A O no hydrogen 2.942 N/A ALA 638.A N GLU 634.A O no hydrogen 2.889 N/A ALA 639.A N LEU 635.A O no hydrogen 2.936 N/A VAL 640.A N TRP 636.A O no hydrogen 2.873 N/A LEU 641.A N ILE 637.A O no hydrogen 2.934 N/A GLY 642.A N ALA 638.A O no hydrogen 2.945 N/A ASP 643.A N ALA 639.A O no hydrogen 2.884 N/A ALA 644.A N VAL 640.A O no hydrogen 2.864 N/A HIS 645.A N LEU 641.A O no hydrogen 2.963 N/A HIS 645.A ND1 HIS 645.A O no hydrogen 2.610 N/A PHE 646.A N GLY 642.A O no hydrogen 2.921 N/A PHE 646.A N ASP 643.A O no hydrogen 2.852 N/A ALA 647.A N ASP 643.A O no hydrogen 2.646 N/A HIS 650.A NE2 ASP 859.A O no hydrogen 2.220 N/A CYS 652.A SG ASP 643.A O no hydrogen 3.454 N/A CYS 652.A SG MET 649.A O no hydrogen 3.017 N/A THR 659.A N PHE 655.A O no hydrogen 3.098 N/A THR 659.A OG1 PHE 655.A O no hydrogen 2.527 N/A LEU 660.A N GLY 656.A O no hydrogen 2.872 N/A GLN 661.A N TRP 657.A O no hydrogen 2.892 N/A GLY 662.A N MET 658.A O no hydrogen 2.822 N/A THR 668.A OG1 THR 674.A OG1 no hydrogen 2.680 N/A THR 674.A N ASP 669.A O no hydrogen 2.789 N/A THR 674.A OG1 THR 668.A OG1 no hydrogen 2.680 N/A THR 674.A OG1 ASP 669.A O no hydrogen 3.016 N/A THR 677.A OG1 LYS 673.A O no hydrogen 2.642 N/A THR 677.A OG1 THR 674.A O no hydrogen 2.435 N/A VAL 678.A N THR 674.A O no hydrogen 2.915 N/A GLY 679.A N ALA 675.A O no hydrogen 2.544 N/A SER 681.A OG HIS 684.A ND1 no hydrogen 3.325 N/A ILE 687.A N HIS 684.A O no hydrogen 3.181 N/A PHE 688.A N HIS 684.A O no hydrogen 3.374 N/A ASN 689.A N ALA 685.A O no hydrogen 2.855 N/A ASN 689.A ND2 ALA 685.A O no hydrogen 3.091 N/A GLY 691.A N ILE 687.A O no hydrogen 2.910 N/A ARG 692.A N ASN 689.A O no hydrogen 3.060 N/A ILE 693.A N ASN 689.A O no hydrogen 3.295 N/A TYR 694.A N TYR 690.A O no hydrogen 3.052 N/A GLY 695.A N ARG 692.A O no hydrogen 3.250 N/A ALA 701.A N GLY 697.A O no hydrogen 2.978 N/A GLU 702.A N GLN 698.A O no hydrogen 2.886 N/A ARG 703.A N PRO 699.A O no hydrogen 2.939 N/A LEU 704.A N PHE 700.A O no hydrogen 2.878 N/A LEU 705.A N ALA 701.A O no hydrogen 2.890 N/A MET 706.A N GLU 702.A O no hydrogen 2.900 N/A GLN 707.A N ARG 703.A O no hydrogen 2.987 N/A PHE 708.A N LEU 705.A O no hydrogen 3.128 N/A ARG 711.A NE ASN 709.A OD1 no hydrogen 2.561 N/A THR 713.A OG1 GLN 714.A OE1 no hydrogen 2.571 N/A GLN 715.A N LEU 712.A O no hydrogen 3.109 N/A GLU 716.A N THR 713.A O no hydrogen 2.996 N/A LYS 720.A N GLU 716.A O no hydrogen 3.384 N/A TYR 725.A N ALA 721.A O no hydrogen 2.540 N/A ALA 726.A N GLN 722.A O no hydrogen 3.119 N/A THR 728.A OG1 GLU 743.A OE1 no hydrogen 3.311 N/A LYS 729.A N ALA 727.A O no hydrogen 2.988 N/A THR 740.A OG1 GLY 739.A O no hydrogen 2.353 N/A SER 742.A N GLU 741.A OE2 no hydrogen 2.727 N/A LEU 748.A N PHE 745.A O no hydrogen 3.082 N/A SER 750.A N ASN 746.A O no hydrogen 2.925 N/A SER 750.A OG ASN 746.A O no hydrogen 3.375 N/A SER 750.A OG LYS 747.A O no hydrogen 2.558 N/A ILE 751.A N LYS 747.A O no hydrogen 2.850 N/A ALA 752.A N LEU 748.A O no hydrogen 2.923 N/A THR 753.A N GLU 749.A O no hydrogen 3.030 N/A THR 753.A OG1 GLU 749.A O no hydrogen 2.586 N/A SER 754.A N ILE 751.A O no hydrogen 3.393 N/A SER 754.A OG SER 750.A O no hydrogen 3.042 N/A SER 754.A OG ILE 751.A O no hydrogen 2.276 N/A THR 759.A OG1 CYS 764.A O no hydrogen 2.306 N/A GLY 763.A N THR 759.A O no hydrogen 2.968 N/A CYS 764.A SG THR 311.A OG1 no hydrogen 2.851 N/A CYS 764.A SG ASP 794.A OD1 no hydrogen 3.716 N/A CYS 765.A N ARG 305.A O no hydrogen 2.885 N/A CYS 765.A SG ARG 305.A O no hydrogen 3.064 N/A LEU 770.A N SER 767.A O no hydrogen 3.338 N/A VAL 775.A N GLU 771.A O no hydrogen 2.801 N/A SER 782.A OG PHE 779.A O no hydrogen 2.734 N/A ARG 783.A N PHE 779.A O no hydrogen 3.284 N/A ARG 783.A NE PHE 779.A O no hydrogen 3.003 N/A ARG 783.A NH1 GLU 777.A O no hydrogen 3.436 N/A ARG 783.A NH2 GLU 777.A O no hydrogen 2.909 N/A VAL 784.A N MET 780.A O no hydrogen 2.950 N/A ASN 785.A N THR 781.A O no hydrogen 2.952 N/A TRP 786.A N SER 782.A O no hydrogen 2.842 N/A VAL 787.A N ARG 783.A O no hydrogen 2.932 N/A VAL 788.A N VAL 784.A O no hydrogen 3.006 N/A GLN 789.A N ASN 785.A O no hydrogen 2.952 N/A SER 790.A N TRP 786.A O no hydrogen 2.819 N/A SER 790.A OG TRP 786.A O no hydrogen 2.203 N/A SER 791.A N VAL 787.A O no hydrogen 2.922 N/A SER 791.A OG VAL 787.A O no hydrogen 2.794 N/A ALA 792.A N VAL 788.A O no hydrogen 2.987 N/A VAL 793.A N GLN 789.A O no hydrogen 2.921 N/A ASP 794.A N SER 790.A O no hydrogen 2.735 N/A TYR 795.A N SER 791.A O no hydrogen 2.809 N/A LEU 796.A N ALA 792.A O no hydrogen 2.972 N/A HIS 797.A N VAL 793.A O no hydrogen 3.081 N/A LEU 798.A N ASP 794.A O no hydrogen 3.183 N/A MET 799.A N TYR 795.A O no hydrogen 3.096 N/A LEU 800.A N LEU 796.A O no hydrogen 2.911 N/A VAL 801.A N HIS 797.A O no hydrogen 2.930 N/A ALA 802.A N LEU 798.A O no hydrogen 2.967 N/A MET 803.A N MET 799.A O no hydrogen 2.873 N/A LYS 804.A N LEU 800.A O no hydrogen 2.937 N/A LYS 804.A NZ GLU 317.A OE1 no hydrogen 3.417 N/A TRP 805.A N VAL 801.A O no hydrogen 2.901 N/A LEU 806.A N ALA 802.A O no hydrogen 2.902 N/A PHE 807.A N MET 803.A O no hydrogen 2.897 N/A GLU 808.A N LYS 804.A O no hydrogen 2.929 N/A GLU 809.A N TRP 805.A O no hydrogen 2.904 N/A ARG 815.A N LEU 827.A O no hydrogen 3.297 N/A CYS 817.A SG GLU 317.A O no hydrogen 3.057 N/A CYS 817.A SG GLU 317.A OE2 no hydrogen 2.967 N/A ILE 818.A N ARG 825.A O no hydrogen 2.878 N/A ILE 820.A N GLU 823.A O no hydrogen 3.132 N/A VAL 824.A N ALA 628.A O no hydrogen 2.947 N/A ARG 825.A N ILE 818.A O no hydrogen 2.901 N/A ARG 825.A NH1 ASP 871.A OD1 no hydrogen 3.434 N/A TYR 826.A N VAL 626.A O no hydrogen 2.879 N/A LEU 827.A N ARG 815.A O no hydrogen 3.279 N/A VAL 828.A N THR 624.A O no hydrogen 2.926 N/A ARG 829.A N ASP 813.A O no hydrogen 3.026 N/A ARG 829.A NE ASP 813.A OD2 no hydrogen 3.297 N/A ARG 829.A NH2 ASP 813.A OD2 no hydrogen 2.784 N/A GLU 830.A N GLY 622.A O no hydrogen 3.180 N/A GLU 831.A N GLU 831.A OE1 no hydrogen 2.703 N/A ASP 832.A N ARG 829.A O no hydrogen 3.412 N/A ARG 833.A N GLU 830.A O no hydrogen 2.921 N/A ARG 833.A NH1 GLU 830.A O no hydrogen 2.718 N/A ARG 835.A NE ILE 911.A O no hydrogen 2.828 N/A ARG 835.A NH1 ASP 832.A OD1 no hydrogen 2.593 N/A ARG 835.A NH2 ILE 911.A O no hydrogen 2.845 N/A ALA 836.A N ASP 832.A O no hydrogen 3.092 N/A ALA 837.A N ARG 833.A O no hydrogen 3.057 N/A LEU 838.A N TYR 834.A O no hydrogen 2.978 N/A ALA 839.A N ARG 835.A O no hydrogen 3.089 N/A GLN 841.A N ALA 837.A O no hydrogen 3.213 N/A GLN 841.A NE2 PHE 867.A O no hydrogen 3.339 N/A ILE 842.A N LEU 838.A O no hydrogen 3.075 N/A THR 843.A N ALA 839.A O no hydrogen 2.692 N/A THR 843.A OG1 ALA 839.A O no hydrogen 3.069 N/A ASN 844.A N LEU 840.A O no hydrogen 3.244 N/A LEU 845.A N GLN 841.A O no hydrogen 3.254 N/A LEU 845.A N ILE 842.A O no hydrogen 2.925 N/A LEU 846.A N ILE 842.A O no hydrogen 3.224 N/A THR 847.A N THR 843.A O no hydrogen 2.840 N/A THR 847.A OG1 THR 843.A O no hydrogen 2.859 N/A ARG 848.A N ASN 844.A O no hydrogen 3.231 N/A ARG 848.A NH1 TYR 795.A OH no hydrogen 3.216 N/A CYS 849.A N LEU 845.A O no hydrogen 3.137 N/A CYS 849.A SG LEU 845.A O no hydrogen 3.058 N/A MET 850.A N LEU 846.A O no hydrogen 2.488 N/A PHE 851.A N THR 847.A O no hydrogen 2.972 N/A ALA 852.A N ARG 848.A O no hydrogen 2.757 N/A TYR 853.A N MET 850.A O no hydrogen 2.938 N/A LYS 854.A N MET 850.A O no hydrogen 3.430 N/A LEU 860.A N HIS 7.A ND1 no hydrogen 3.294 N/A ALA 865.A N GLN 862.A O no hydrogen 3.309 N/A PHE 867.A N GLN 841.A OE1 no hydrogen 2.673 N/A SER 868.A N ASP 631.A OD2 no hydrogen 3.045 N/A SER 868.A OG ASP 631.A OD2 no hydrogen 2.332 N/A VAL 870.A N PRO 900.A O no hydrogen 3.121 N/A ASP 871.A N GLY 627.A O no hydrogen 2.893 N/A ASP 873.A N LEU 625.A O no hydrogen 2.918 N/A ARG 874.A N ASP 873.A OD1 no hydrogen 2.480 N/A ARG 874.A NH1 GLU 830.A OE2 no hydrogen 3.045 N/A ARG 874.A NH2 GLU 830.A OE2 no hydrogen 3.507 N/A CYS 875.A SG VAL 617.A O no hydrogen 3.681 N/A CYS 875.A SG LEU 876.A O no hydrogen 3.842 N/A ARG 877.A NE ASP 873.A OD2 no hydrogen 2.790 N/A ARG 877.A NH2 ASP 873.A OD1 no hydrogen 3.098 N/A ARG 877.A NH2 ASP 873.A OD2 no hydrogen 3.134 N/A ARG 877.A NH2 ARG 896.A O no hydrogen 2.423 N/A THR 886.A OG1 VAL 609.A O no hydrogen 2.793 N/A GLY 892.A N ASN 889.A O no hydrogen 2.986 N/A ILE 899.A N ILE 872.A O no hydrogen 3.280 N/A ASP 906.A N GLU 903.A O no hydrogen 3.292 N/A ILE 907.A N ALA 904.A O no hydrogen 3.294 N/A TYR 908.A N LEU 905.A O no hydrogen 3.427 N/A THR 914.A OG1 SER 917.A OG no hydrogen 3.331 N/A SER 917.A N THR 914.A O no hydrogen 2.992 N/A SER 917.A OG THR 914.A O no hydrogen 2.650 N/A