Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6tw1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLU 2.A O no hydrogen 3.233 N/A THR 7.A N PHE 4.A O no hydrogen 3.232 N/A THR 7.A OG1 ASN 3.A O no hydrogen 2.289 N/A THR 7.A OG1 PHE 4.A O no hydrogen 3.101 N/A ASN 8.A N VAL 5.A O no hydrogen 3.383 N/A ASN 8.A ND2 PHE 4.A O no hydrogen 2.498 N/A PHE 9.A N VAL 5.A O no hydrogen 3.206 N/A LEU 14.A N ASN 10.A O no hydrogen 3.061 N/A GLU 15.A N PRO 11.A O no hydrogen 2.881 N/A ARG 16.A N MET 12.A O no hydrogen 2.951 N/A ALA 17.A N ILE 13.A O no hydrogen 2.898 N/A GLU 18.A N LEU 14.A O no hydrogen 2.862 N/A LYS 19.A N GLU 15.A O no hydrogen 2.943 N/A THR 20.A N ARG 16.A O no hydrogen 2.880 N/A THR 20.A OG1 ARG 16.A O no hydrogen 2.301 N/A MET 21.A N ALA 17.A O no hydrogen 2.952 N/A LYS 22.A N GLU 18.A O no hydrogen 2.935 N/A GLU 23.A N LYS 19.A O no hydrogen 2.928 N/A TYR 24.A N THR 20.A O no hydrogen 2.978 N/A GLY 25.A N LYS 22.A O no hydrogen 3.075 N/A GLU 26.A N MET 21.A O no hydrogen 2.972 N/A GLU 31.A N ASN 27.A O no hydrogen 3.494 N/A ASN 33.A ND2 SER 185.A OG no hydrogen 3.258 N/A LYS 34.A NZ GLU 26.A OE1 no hydrogen 3.080 N/A LYS 34.A NZ GLU 26.A OE2 no hydrogen 2.869 N/A PHE 35.A N GLU 31.A O no hydrogen 3.384 N/A ALA 36.A N GLY 32.A O no hydrogen 2.952 N/A ALA 37.A N ASN 33.A O no hydrogen 2.915 N/A ILE 38.A N LYS 34.A O no hydrogen 2.892 N/A SER 39.A N PHE 35.A O no hydrogen 2.935 N/A SER 39.A OG PHE 35.A O no hydrogen 3.078 N/A THR 40.A N ALA 36.A O no hydrogen 2.911 N/A THR 40.A OG1 ALA 36.A O no hydrogen 2.298 N/A HIS 41.A N ALA 37.A O no hydrogen 2.952 N/A HIS 41.A NE2 ILE 115.A O no hydrogen 2.571 N/A MET 42.A N ILE 38.A O no hydrogen 2.917 N/A GLU 43.A N SER 39.A O no hydrogen 2.886 N/A VAL 44.A N THR 40.A O no hydrogen 2.960 N/A CYS 45.A N HIS 41.A O no hydrogen 2.956 N/A CYS 45.A SG HIS 41.A O no hydrogen 3.281 N/A PHE 46.A N MET 42.A O no hydrogen 2.922 N/A MET 47.A N GLU 43.A O no hydrogen 2.886 N/A TYR 48.A N VAL 44.A O no hydrogen 2.916 N/A TYR 48.A OH HIS 141.A ND1 no hydrogen 2.496 N/A SER 49.A N PHE 46.A O no hydrogen 3.152 N/A HIS 52.A NE2 SER 162.A OG no hydrogen 2.941 N/A PHE 53.A N ILE 61.A O no hydrogen 2.927 N/A ILE 54.A N LYS 68.A O no hydrogen 2.732 N/A ASP 55.A N ASN 59.A O no hydrogen 3.456 N/A GLU 57.A N ASP 55.A OD2 no hydrogen 3.239 N/A GLY 58.A N ASP 55.A O no hydrogen 3.441 N/A ASN 59.A N ASP 55.A OD1 no hydrogen 2.601 N/A ILE 61.A N PHE 53.A O no hydrogen 2.863 N/A LYS 63.A N PHE 51.A O no hydrogen 3.254 N/A LYS 68.A N ILE 54.A O no hydrogen 3.423 N/A LYS 68.A NZ ASP 55.A O no hydrogen 3.549 N/A ARG 70.A N HIS 52.A O no hydrogen 2.991 N/A ARG 70.A NH1 ILE 157.A O no hydrogen 2.961 N/A ARG 70.A NH2 ILE 157.A O no hydrogen 3.514 N/A GLU 72.A N TYR 105.A O no hydrogen 2.835 N/A ILE 74.A N ASP 103.A O no hydrogen 2.931 N/A GLU 75.A N ASP 103.A O no hydrogen 3.084 N/A GLN 77.A NE2 ILE 73.A O no hydrogen 3.229 N/A ASN 80.A N GLU 78.A OE1 no hydrogen 3.107 N/A ASN 80.A ND2 GLU 78.A OE1 no hydrogen 3.343 N/A ASN 80.A ND2 GLU 78.A OE2 no hydrogen 3.553 N/A ALA 82.A N GLU 78.A O no hydrogen 2.783 N/A TRP 83.A N ARG 79.A O no hydrogen 2.924 N/A THR 84.A N ASN 80.A O no hydrogen 2.905 N/A THR 84.A OG1 ASN 80.A O no hydrogen 2.670 N/A ILE 85.A N ILE 81.A O no hydrogen 3.006 N/A VAL 86.A N ALA 82.A O no hydrogen 2.921 N/A ASN 87.A N TRP 83.A O no hydrogen 2.878 N/A SER 88.A N THR 84.A O no hydrogen 2.965 N/A SER 88.A OG THR 84.A O no hydrogen 2.693 N/A ILE 89.A N ILE 85.A O no hydrogen 2.994 N/A CYS 90.A N VAL 86.A O no hydrogen 2.906 N/A CYS 90.A SG VAL 86.A O no hydrogen 3.268 N/A CYS 90.A SG SER 96.A O no hydrogen 3.692 N/A ASN 91.A N ASN 87.A O no hydrogen 2.909 N/A MET 92.A N SER 88.A O no hydrogen 2.998 N/A MET 92.A N ILE 89.A O no hydrogen 3.115 N/A THR 93.A N ILE 89.A O no hydrogen 2.965 N/A THR 93.A OG1 ILE 89.A O no hydrogen 3.043 N/A THR 93.A OG1 ASN 95.A OD1 no hydrogen 2.535 N/A ASN 95.A N THR 93.A O no hydrogen 2.615 N/A LYS 97.A NZ ASN 87.A OD1 no hydrogen 3.321 N/A ARG 99.A NH2 LYS 134.A O no hydrogen 3.322 N/A ASP 103.A N ILE 113.A O no hydrogen 3.103 N/A LEU 104.A N ILE 113.A O no hydrogen 2.909 N/A TYR 105.A N GLU 72.A O no hydrogen 2.926 N/A TYR 105.A OH ASN 110.A OD1 no hydrogen 3.173 N/A ASP 106.A N LYS 111.A O no hydrogen 2.860 N/A TYR 107.A N ARG 70.A O no hydrogen 2.955 N/A TYR 107.A OH GLU 72.A OE1 no hydrogen 2.372 N/A THR 109.A N ASP 106.A OD2 no hydrogen 2.432 N/A THR 109.A OG1 ASP 106.A OD2 no hydrogen 2.874 N/A LYS 111.A N ASP 106.A O no hydrogen 3.039 N/A ILE 113.A N LEU 104.A O no hydrogen 2.880 N/A GLU 114.A N TYR 139.A O no hydrogen 2.864 N/A ILE 115.A N ASP 103.A OD2 no hydrogen 2.833 N/A GLY 116.A N HIS 141.A O no hydrogen 2.936 N/A THR 118.A N PHE 143.A O no hydrogen 2.900 N/A ARG 119.A NH1 GLU 190.A OE1 no hydrogen 2.407 N/A ARG 120.A N THR 118.A OG1 no hydrogen 2.631 N/A TYR 126.A N VAL 122.A O no hydrogen 2.926 N/A TYR 127.A N GLU 123.A O no hydrogen 2.883 N/A GLU 128.A N ASP 124.A O no hydrogen 2.952 N/A LYS 129.A N TYR 125.A O no hydrogen 2.882 N/A ALA 130.A N TYR 126.A O no hydrogen 2.885 N/A SER 131.A N TYR 127.A O no hydrogen 2.903 N/A SER 131.A OG TYR 127.A O no hydrogen 3.292 N/A SER 131.A OG GLU 128.A O no hydrogen 2.744 N/A LYS 132.A N GLU 128.A O no hydrogen 2.932 N/A LEU 133.A N LYS 129.A O no hydrogen 2.974 N/A ASN 137.A N ASN 137.A OD1 no hydrogen 2.424 N/A TYR 139.A N PHE 112.A O no hydrogen 2.921 N/A TYR 139.A OH GLU 155.A O no hydrogen 2.884 N/A ILE 140.A N THR 152.A OG1 no hydrogen 2.732 N/A HIS 141.A N GLU 114.A O no hydrogen 2.876 N/A HIS 141.A ND1 TYR 48.A OH no hydrogen 2.496 N/A HIS 141.A NE2 GLU 149.A OE1 no hydrogen 2.907 N/A ILE 142.A N MET 150.A O no hydrogen 2.918 N/A PHE 143.A N GLY 116.A O no hydrogen 2.883 N/A SER 144.A OG GLU 148.A O no hydrogen 2.483 N/A PHE 145.A N THR 118.A O no hydrogen 3.171 N/A GLU 148.A N SER 144.A OG no hydrogen 3.222 N/A MET 150.A N ILE 142.A O no hydrogen 2.887 N/A THR 152.A OG1 ILE 140.A O no hydrogen 2.742 N/A GLU 155.A N THR 152.A O no hydrogen 3.299 N/A SER 162.A N ASP 159.A OD1 no hydrogen 3.258 N/A SER 162.A OG HIS 52.A NE2 no hydrogen 2.941 N/A SER 162.A OG ASP 159.A OD1 no hydrogen 2.904 N/A ARG 163.A NE LEU 158.A O no hydrogen 3.368 N/A ARG 163.A NE ASP 159.A O no hydrogen 2.509 N/A ALA 164.A N GLU 160.A O no hydrogen 2.970 N/A ARG 165.A N GLU 161.A O no hydrogen 2.887 N/A ILE 166.A N SER 162.A O no hydrogen 2.947 N/A LYS 167.A N ARG 163.A O no hydrogen 2.981 N/A THR 168.A N ALA 164.A O no hydrogen 2.869 N/A THR 168.A OG1 ALA 164.A O no hydrogen 3.259 N/A ARG 169.A N ARG 165.A O no hydrogen 2.958 N/A ARG 169.A NH2 ASN 8.A O no hydrogen 3.319 N/A LEU 170.A N ILE 166.A O no hydrogen 2.943 N/A PHE 171.A N LYS 167.A O no hydrogen 2.914 N/A VAL 172.A N THR 168.A O no hydrogen 2.934 N/A LEU 173.A N ARG 169.A O no hydrogen 2.927 N/A ARG 174.A N LEU 170.A O no hydrogen 2.899 N/A GLN 175.A N PHE 171.A O no hydrogen 2.956 N/A GLN 175.A NE2 PHE 171.A O no hydrogen 3.653 N/A GLU 176.A N VAL 172.A O no hydrogen 2.885 N/A LEU 177.A N LEU 173.A O no hydrogen 2.934 N/A ALA 178.A N ARG 174.A O no hydrogen 3.237 N/A ALA 178.A N GLN 175.A O no hydrogen 3.253 N/A THR 179.A N GLN 175.A O no hydrogen 3.262 N/A GLY 181.A N ALA 178.A O no hydrogen 2.952 N/A SER 185.A N ASP 184.A OD1 no hydrogen 2.683 N/A ARG 187.A N TRP 183.A O no hydrogen 3.001 N/A SER 189.A OG SER 185.A O no hydrogen 3.105 N/A SER 189.A OG PHE 186.A O no hydrogen 3.154 N/A GLN 201.A N PRO 197.A O no hydrogen 2.815 N/A GLN 201.A NE2 ASN 205.A OD1 no hydrogen 3.414 N/A ARG 202.A N PRO 198.A O no hydrogen 2.998 N/A LEU 203.A N THR 199.A O no hydrogen 2.985 N/A ALA 204.A N PHE 200.A O no hydrogen 2.853 N/A ASN 205.A N GLN 201.A O no hydrogen 2.940 N/A GLN 206.A N ARG 202.A O no hydrogen 3.044 N/A GLN 206.A NE2 ARG 202.A O no hydrogen 3.133 N/A SER 207.A N ALA 204.A O no hydrogen 3.293 N/A SER 207.A OG LEU 203.A O no hydrogen 2.317 N/A PHE 212.A N PRO 209.A O no hydrogen 3.222 N/A LYS 213.A N GLN 217.A OE1 no hydrogen 3.306 N/A TYR 215.A N ASN 205.A OD1 no hydrogen 2.852 N/A PHE 218.A N ASP 214.A O no hydrogen 3.185 N/A LYS 219.A N TYR 215.A O no hydrogen 2.902 N/A ALA 220.A N HIS 216.A O no hydrogen 2.910 N/A TYR 221.A N GLN 217.A O no hydrogen 2.952 N/A VAL 222.A N PHE 218.A O no hydrogen 2.930 N/A SER 223.A N LYS 219.A O no hydrogen 2.971 N/A SER 223.A OG LYS 219.A O no hydrogen 2.287 N/A SER 224.A N ALA 220.A O no hydrogen 3.217 N/A SER 224.A OG ALA 220.A O no hydrogen 3.000 N/A PHE 225.A N VAL 222.A O no hydrogen 3.429 N/A ASN 228.A N ASN 230.A OD1 no hydrogen 3.081 N/A ALA 233.A N GLY 229.A O no hydrogen 3.241 N/A LYS 234.A N ASN 230.A O no hydrogen 3.004 N/A LEU 235.A N ILE 231.A O no hydrogen 2.849 N/A GLY 236.A N GLU 232.A O no hydrogen 2.916 N/A ALA 237.A N ALA 233.A O no hydrogen 2.960 N/A MET 238.A N LYS 234.A O no hydrogen 2.980 N/A LYS 241.A N SER 239.A OG no hydrogen 3.051 N/A VAL 242.A N SER 239.A O no hydrogen 3.404 N/A GLU 247.A N THR 664.A O no hydrogen 2.780 N/A PHE 249.A N PRO 662.A O no hydrogen 3.041 N/A ARG 252.A NE ASP 250.A OD1 no hydrogen 3.189 N/A ARG 252.A NH2 ASP 250.A OD2 no hydrogen 3.451 N/A THR 253.A N ASP 250.A O no hydrogen 3.209 N/A THR 253.A OG1 ASP 250.A O no hydrogen 3.205 N/A ARG 255.A NH1 GLU 675.A OE1 no hydrogen 3.307 N/A ARG 255.A NH1 GLU 675.A OE2 no hydrogen 2.824 N/A ARG 255.A NH2 GLU 675.A OE2 no hydrogen 2.996 N/A LEU 257.A N ASN 692.A OD1 no hydrogen 2.806 N/A GLU 258.A N GLU 675.A OE2 no hydrogen 2.968 N/A LYS 263.A NZ GLU 522.A OE2 no hydrogen 3.398 N/A CYS 265.A N LYS 386.A O no hydrogen 2.773 N/A CYS 265.A SG LYS 386.A O no hydrogen 3.631 N/A THR 266.A OG1 HIS 519.A O no hydrogen 3.251 N/A THR 266.A OG1 LYS 520.A O no hydrogen 2.638 N/A GLN 267.A N LYS 520.A O no hydrogen 3.021 N/A ARG 268.A N GLN 267.A OE1 no hydrogen 3.196 N/A ARG 268.A NH2 ASP 681.A OD1 no hydrogen 3.321 N/A SER 269.A N GLN 267.A OE1 no hydrogen 3.354 N/A SER 269.A OG PHE 271.A O no hydrogen 2.650 N/A LYS 270.A NZ ASN 552.A OD1 no hydrogen 2.914 N/A LYS 270.A NZ GLY 553.A O no hydrogen 2.554 N/A MET 277.A N PHE 509.A O no hydrogen 2.934 N/A LEU 279.A N LEU 484.A O no hydrogen 2.896 N/A SER 280.A OG ASN 483.A OD1 no hydrogen 3.023 N/A VAL 281.A N THR 482.A O no hydrogen 2.931 N/A ASN 283.A N ARG 480.A O no hydrogen 2.872 N/A ASN 283.A ND2 GLN 479.A OE1 no hydrogen 2.406 N/A HIS 286.A NE2 ASP 295.A OD1 no hydrogen 2.697 N/A GLY 290.A N ASP 295.A OD1 no hydrogen 3.194 N/A ILE 291.A N GLY 288.A O no hydrogen 3.234 N/A ASP 295.A N ILE 291.A O no hydrogen 3.036 N/A ALA 296.A N PRO 292.A O no hydrogen 2.895 N/A LYS 297.A N MET 293.A O no hydrogen 2.941 N/A LYS 297.A NZ ILE 334.A O no hydrogen 3.125 N/A ALA 298.A N LYS 294.A O no hydrogen 2.965 N/A CYS 299.A N ASP 295.A O no hydrogen 2.914 N/A CYS 299.A SG LEU 279.A O no hydrogen 3.254 N/A CYS 299.A SG ASP 295.A O no hydrogen 3.387 N/A CYS 299.A SG THR 482.A O no hydrogen 3.403 N/A LEU 300.A N ALA 296.A O no hydrogen 2.905 N/A ASP 301.A N LYS 297.A O no hydrogen 2.961 N/A THR 302.A N CYS 299.A O no hydrogen 3.307 N/A THR 302.A OG1 CYS 299.A O no hydrogen 2.778 N/A PHE 303.A N LEU 300.A O no hydrogen 3.334 N/A LYS 307.A N ILE 529.A O no hydrogen 3.096 N/A LYS 307.A NZ GLU 528.A OE2 no hydrogen 3.201 N/A LYS 307.A NZ ASP 531.A OD1 no hydrogen 3.316 N/A LYS 307.A NZ ASP 531.A OD2 no hydrogen 2.880 N/A THR 310.A N GLU 528.A O no hydrogen 3.333 N/A ILE 312.A N VAL 526.A O no hydrogen 3.066 N/A LYS 313.A N VAL 526.A O no hydrogen 2.998 N/A LYS 313.A NZ LYS 314.A O no hydrogen 2.889 N/A LYS 313.A NZ TRP 521.A O no hydrogen 2.433 N/A LYS 313.A NZ TYR 524.A O no hydrogen 2.974 N/A HIS 315.A N ASN 320.A OD1 no hydrogen 2.673 N/A GLY 318.A N HIS 315.A O no hydrogen 3.115 N/A ASN 320.A ND2 HIS 315.A O no hydrogen 3.407 N/A TYR 323.A OH HIS 315.A ND1 no hydrogen 3.331 N/A LEU 324.A N ASN 320.A O no hydrogen 3.043 N/A MET 325.A N THR 321.A O no hydrogen 2.938 N/A ILE 326.A N ASN 322.A O no hydrogen 2.912 N/A TRP 327.A N TYR 323.A O no hydrogen 3.042 N/A GLU 328.A N LEU 324.A O no hydrogen 3.051 N/A GLN 329.A N MET 325.A O no hydrogen 2.932 N/A GLN 329.A NE2 LYS 345.A O no hydrogen 2.929 N/A LEU 330.A N ILE 326.A O no hydrogen 2.954 N/A LEU 331.A N TRP 327.A O no hydrogen 2.997 N/A GLU 332.A N GLU 328.A O no hydrogen 2.991 N/A SER 333.A N GLN 329.A O no hydrogen 2.959 N/A SER 333.A OG GLN 329.A O no hydrogen 2.813 N/A ILE 334.A N LEU 330.A O no hydrogen 2.915 N/A LYS 335.A N LEU 331.A O no hydrogen 3.042 N/A LEU 344.A N TYR 464.A O no hydrogen 2.907 N/A LYS 346.A NZ GLU 462.A O no hydrogen 2.947 N/A THR 347.A N LYS 345.A O no hydrogen 3.002 N/A THR 347.A OG1 GLN 329.A OE1 no hydrogen 2.723 N/A HIS 349.A NE2 GLN 329.A OE1 no hydrogen 2.737 N/A LYS 351.A N THR 347.A O no hydrogen 2.860 N/A TRP 352.A N ASN 348.A O no hydrogen 2.906 N/A GLY 353.A N HIS 349.A O no hydrogen 2.950 N/A LEU 354.A N LEU 350.A O no hydrogen 3.019 N/A GLY 355.A N TRP 352.A O no hydrogen 2.977 N/A GLU 356.A N LYS 351.A O no hydrogen 2.899 N/A CYS 368.A N PHE 365.A O no hydrogen 2.973 N/A LYS 369.A NZ GLU 366.A O no hydrogen 3.156 N/A VAL 371.A N CYS 368.A O no hydrogen 3.374 N/A ARG 385.A N ILE 679.A O no hydrogen 2.912 N/A ARG 385.A NH2 PHE 264.A O no hydrogen 3.051 N/A LYS 386.A N LYS 263.A O no hydrogen 2.584 N/A TRP 390.A NE1 CYS 265.A O no hydrogen 2.839 N/A GLN 392.A NE2 GLN 392.A O no hydrogen 3.144 N/A GLN 392.A NE2 ASN 396.A OD1 no hydrogen 2.934 N/A SER 393.A N SER 389.A O no hydrogen 3.349 N/A SER 393.A OG SER 389.A O no hydrogen 3.359 N/A GLU 394.A N TRP 390.A O no hydrogen 2.889 N/A PHE 395.A N ILE 391.A O no hydrogen 2.964 N/A ASN 396.A N GLN 392.A O no hydrogen 2.881 N/A LYS 397.A N SER 393.A O no hydrogen 2.958 N/A ALA 398.A N GLU 394.A O no hydrogen 2.978 N/A SER 399.A OG PHE 395.A O no hydrogen 3.060 N/A THR 402.A N GLN 436.A O no hydrogen 2.498 N/A THR 402.A OG1 SER 404.A O no hydrogen 3.283 N/A THR 402.A OG1 GLN 436.A O no hydrogen 2.759 N/A ASN 405.A N ARG 474.A O no hydrogen 2.718 N/A TRP 406.A N SER 435.A O no hydrogen 2.995 N/A TRP 406.A NE1 THR 402.A OG1 no hydrogen 2.831 N/A ILE 407.A N SER 435.A OG no hydrogen 3.111 N/A GLU 411.A N GLU 411.A OE1 no hydrogen 2.776 N/A VAL 416.A N GLU 420.A OE1 no hydrogen 2.794 N/A ALA 417.A N GLU 420.A OE1 no hydrogen 3.149 N/A GLU 420.A N ALA 417.A O no hydrogen 3.152 N/A HIS 421.A N ALA 417.A O no hydrogen 3.315 N/A ILE 422.A N PRO 418.A O no hydrogen 3.022 N/A ALA 423.A N ILE 419.A O no hydrogen 2.868 N/A SER 424.A N GLU 420.A O no hydrogen 2.895 N/A SER 424.A OG ASP 415.A OD2 no hydrogen 2.544 N/A SER 424.A OG GLU 420.A O no hydrogen 3.071 N/A ARG 425.A N HIS 421.A O no hydrogen 2.971 N/A ARG 426.A N ILE 422.A O no hydrogen 2.997 N/A ARG 426.A NE THR 592.A OG1 no hydrogen 3.111 N/A ARG 426.A NH1 GLU 577.A OE2 no hydrogen 2.380 N/A ARG 426.A NH2 ASP 590.A OD1 no hydrogen 2.791 N/A ARG 427.A N ALA 423.A O no hydrogen 2.837 N/A ARG 427.A NH2 SER 424.A OG no hydrogen 3.058 N/A ASN 428.A N SER 424.A O no hydrogen 2.980 N/A PHE 430.A N ARG 426.A O no hydrogen 3.003 N/A THR 431.A N ARG 427.A O no hydrogen 2.848 N/A THR 431.A OG1 ARG 427.A O no hydrogen 2.700 N/A ALA 432.A N ASN 428.A O no hydrogen 2.935 N/A GLU 433.A N PHE 429.A O no hydrogen 3.017 N/A VAL 434.A N PHE 430.A O no hydrogen 2.878 N/A SER 435.A N THR 431.A O no hydrogen 3.058 N/A SER 435.A OG ILE 407.A O no hydrogen 2.918 N/A CYS 437.A SG ALA 398.A O no hydrogen 3.296 N/A CYS 437.A SG GLU 400.A O no hydrogen 3.964 N/A ARG 438.A N GLU 400.A O no hydrogen 2.870 N/A ARG 438.A NH1 GLU 441.A OE1 no hydrogen 3.026 N/A SER 440.A N CYS 437.A O no hydrogen 3.253 N/A SER 440.A OG VAL 434.A O no hydrogen 2.455 N/A TYR 442.A N ARG 438.A O no hydrogen 3.047 N/A ILE 443.A N ALA 439.A O no hydrogen 2.894 N/A MET 444.A N SER 440.A O no hydrogen 2.997 N/A LYS 445.A N GLU 441.A O no hydrogen 2.911 N/A LYS 445.A NZ LEU 272.A O no hydrogen 2.714 N/A ALA 446.A N TYR 442.A O no hydrogen 2.948 N/A VAL 447.A N ILE 443.A O no hydrogen 2.876 N/A TYR 448.A N MET 444.A O no hydrogen 2.971 N/A ILE 449.A N LYS 445.A O no hydrogen 2.966 N/A ASN 450.A N ALA 446.A O no hydrogen 2.932 N/A ASN 450.A ND2 ALA 446.A O no hydrogen 2.568 N/A THR 451.A N VAL 447.A O no hydrogen 2.976 N/A THR 451.A OG1 VAL 447.A O no hydrogen 2.374 N/A ALA 452.A N TYR 448.A O no hydrogen 2.985 N/A LEU 453.A N ILE 449.A O no hydrogen 2.895 N/A LEU 454.A N ASN 450.A O no hydrogen 2.959 N/A ASN 455.A N THR 451.A O no hydrogen 3.003 N/A SER 456.A N ALA 452.A O no hydrogen 2.930 N/A SER 456.A OG GLN 465.A OE1 no hydrogen 3.347 N/A SER 457.A N LEU 453.A O no hydrogen 2.819 N/A SER 457.A OG LEU 453.A O no hydrogen 2.402 N/A CYS 458.A N LEU 454.A O no hydrogen 3.021 N/A CYS 458.A SG LEU 454.A O no hydrogen 3.359 N/A THR 459.A N ASN 455.A O no hydrogen 3.004 N/A THR 459.A OG1 ASN 455.A O no hydrogen 2.719 N/A ALA 460.A N SER 456.A O no hydrogen 2.932 N/A GLU 463.A N ALA 460.A O no hydrogen 3.205 N/A TYR 464.A OH GLU 356.A OE1 no hydrogen 2.540 N/A VAL 466.A N LEU 342.A O no hydrogen 2.980 N/A ILE 467.A N ILE 488.A O no hydrogen 2.826 N/A ILE 469.A N GLY 486.A O no hydrogen 2.857 N/A THR 471.A N ASN 483.A O no hydrogen 2.961 N/A THR 471.A OG1 TYR 485.A OH no hydrogen 3.144 N/A CYS 473.A N ARG 481.A O no hydrogen 2.920 N/A ARG 474.A N ASN 405.A O no hydrogen 3.200 N/A ARG 474.A NE GLY 478.A O no hydrogen 3.195 N/A ARG 474.A NH2 GLY 478.A O no hydrogen 3.141 N/A ASP 475.A N GLN 479.A O no hydrogen 3.200 N/A GLY 478.A N ASP 475.A O no hydrogen 3.231 N/A ARG 480.A NH2 PRO 284.A O no hydrogen 3.362 N/A ARG 481.A N CYS 473.A O no hydrogen 2.931 N/A THR 482.A N VAL 281.A O no hydrogen 2.941 N/A ASN 483.A N THR 471.A O no hydrogen 2.909 N/A ASN 483.A ND2 THR 471.A OG1 no hydrogen 2.849 N/A LEU 484.A N LEU 279.A O no hydrogen 2.875 N/A TYR 485.A N ILE 469.A O no hydrogen 2.928 N/A TYR 485.A OH GLU 441.A OE2 no hydrogen 2.563 N/A TYR 485.A OH THR 471.A OG1 no hydrogen 3.144 N/A PHE 487.A N LEU 507.A O no hydrogen 2.871 N/A ILE 488.A N ILE 467.A O no hydrogen 2.873 N/A ILE 489.A N ILE 505.A O no hydrogen 2.856 N/A LYS 490.A N GLN 465.A O no hydrogen 2.904 N/A LYS 490.A NZ ALA 460.A O no hydrogen 2.773 N/A LYS 490.A NZ GLU 463.A O no hydrogen 3.473 N/A LYS 490.A NZ GLY 491.A O no hydrogen 2.682 N/A LYS 490.A NZ SER 493.A OG no hydrogen 2.757 N/A GLY 491.A N ASN 503.A O no hydrogen 2.739 N/A SER 493.A N MET 461.A O no hydrogen 2.988 N/A SER 493.A OG SER 457.A O no hydrogen 2.977 N/A HIS 494.A NE2 GLU 462.A OE2 no hydrogen 2.736 N/A ARG 496.A N ASP 500.A OD2 no hydrogen 3.330 N/A ASN 497.A ND2 ASP 500.A OD1 no hydrogen 2.982 N/A VAL 502.A N THR 554.A O no hydrogen 2.847 N/A ASN 503.A ND2 LEU 354.A O no hydrogen 3.348 N/A PHE 504.A N ASN 552.A O no hydrogen 2.874 N/A ILE 505.A N ILE 489.A O no hydrogen 2.882 N/A SER 506.A N ARG 550.A O no hydrogen 2.908 N/A SER 506.A OG ARG 550.A O no hydrogen 3.528 N/A LEU 507.A N PHE 487.A O no hydrogen 2.935 N/A GLU 508.A N TYR 548.A O no hydrogen 2.907 N/A PHE 509.A N TYR 485.A O no hydrogen 3.028 N/A SER 510.A N TYR 546.A O no hydrogen 2.925 N/A SER 510.A OG ASP 275.A O no hydrogen 2.576 N/A THR 512.A N SER 510.A OG no hydrogen 3.004 N/A THR 512.A OG1 ASP 275.A OD1 no hydrogen 3.199 N/A ARG 515.A N ASP 513.A OD1 no hydrogen 3.426 N/A ARG 515.A NE ASP 513.A OD1 no hydrogen 2.772 N/A ARG 515.A NH2 ASP 513.A OD1 no hydrogen 3.103 N/A ARG 515.A NH2 ASP 513.A OD2 no hydrogen 3.435 N/A LYS 520.A NZ ASP 275.A OD2 no hydrogen 3.177 N/A LYS 520.A NZ GLU 394.A OE2 no hydrogen 3.149 N/A TRP 521.A N ILE 518.A O no hydrogen 3.032 N/A GLU 522.A N THR 266.A OG1 no hydrogen 3.326 N/A TYR 524.A N TRP 521.A O no hydrogen 3.338 N/A CYS 525.A N VAL 549.A O no hydrogen 2.763 N/A CYS 525.A SG LYS 313.A O no hydrogen 3.816 N/A CYS 525.A SG ASN 320.A OD1 no hydrogen 3.316 N/A VAL 526.A N LYS 313.A O no hydrogen 2.880 N/A LEU 527.A N LEU 547.A O no hydrogen 2.972 N/A GLU 528.A N THR 310.A O no hydrogen 2.910 N/A ILE 529.A N VAL 545.A O no hydrogen 2.942 N/A GLY 530.A N VAL 545.A O no hydrogen 3.065 N/A ASP 531.A N GLY 305.A O no hydrogen 3.062 N/A MET 532.A N LYS 543.A O no hydrogen 2.851 N/A ILE 534.A N ILE 541.A O no hydrogen 2.877 N/A ARG 535.A NH1 THR 536.A O no hydrogen 2.392 N/A THR 536.A N SER 539.A O no hydrogen 2.906 N/A THR 536.A OG1 SER 539.A O no hydrogen 2.324 N/A ILE 541.A N ILE 534.A O no hydrogen 2.906 N/A LYS 543.A N MET 532.A O no hydrogen 2.916 N/A VAL 545.A N GLY 530.A O no hydrogen 2.856 N/A TYR 546.A N SER 510.A O no hydrogen 2.918 N/A LEU 547.A N LEU 527.A O no hydrogen 3.057 N/A TYR 548.A N GLU 508.A O no hydrogen 2.882 N/A TYR 548.A OH THR 512.A O no hydrogen 2.813 N/A VAL 549.A N CYS 525.A O no hydrogen 3.144 N/A ARG 550.A N SER 506.A O no hydrogen 2.966 N/A ARG 550.A NE THR 551.A O no hydrogen 2.727 N/A ARG 550.A NH2 THR 551.A O no hydrogen 2.971 N/A THR 551.A OG1 GLY 353.A O no hydrogen 3.167 N/A ASN 552.A N PHE 504.A O no hydrogen 2.859 N/A GLY 553.A N ASN 552.A OD1 no hydrogen 2.771 N/A THR 554.A N VAL 502.A O no hydrogen 2.975 N/A THR 554.A OG1 SER 555.A O no hydrogen 3.399 N/A LYS 556.A NZ LEU 495.A O no hydrogen 3.419 N/A LYS 558.A N SER 555.A OG no hydrogen 3.373 N/A MET 559.A N SER 555.A O no hydrogen 3.060 N/A LYS 560.A N LYS 556.A O no hydrogen 2.893 N/A TRP 561.A N ILE 557.A O no hydrogen 2.956 N/A GLY 562.A N LYS 558.A O no hydrogen 2.920 N/A MET 563.A N MET 559.A O no hydrogen 2.945 N/A CYS 568.A N MET 565.A O no hydrogen 2.983 N/A CYS 568.A SG MET 565.A O no hydrogen 3.190 N/A CYS 568.A SG SER 628.A O no hydrogen 3.412 N/A LEU 569.A N ARG 566.A O no hydrogen 2.970 N/A LEU 570.A N ARG 567.A O no hydrogen 2.982 N/A GLN 571.A N ARG 567.A O no hydrogen 3.258 N/A SER 572.A N CYS 568.A O no hydrogen 3.143 N/A SER 572.A OG CYS 621.A O no hydrogen 2.958 N/A LEU 573.A N LEU 569.A O no hydrogen 3.421 N/A GLN 574.A N LEU 570.A O no hydrogen 2.896 N/A GLN 575.A N SER 572.A O no hydrogen 3.001 N/A VAL 576.A N SER 572.A O no hydrogen 3.139 N/A GLU 577.A N LEU 573.A O no hydrogen 2.785 N/A SER 578.A N GLN 574.A O no hydrogen 3.225 N/A SER 578.A OG GLN 575.A O no hydrogen 2.533 N/A MET 579.A N GLN 575.A O no hydrogen 3.093 N/A ILE 580.A N VAL 576.A O no hydrogen 2.922 N/A GLU 581.A N GLU 577.A O no hydrogen 2.582 N/A ALA 582.A N SER 578.A O no hydrogen 2.796 N/A GLU 583.A N MET 579.A O no hydrogen 3.249 N/A SER 584.A N ILE 580.A O no hydrogen 3.148 N/A SER 584.A OG ILE 580.A O no hydrogen 2.616 N/A SER 584.A OG LYS 589.A O no hydrogen 3.492 N/A ALA 585.A N GLU 581.A O no hydrogen 2.950 N/A ALA 585.A N ALA 582.A O no hydrogen 3.049 N/A VAL 586.A N GLU 583.A O no hydrogen 2.990 N/A LYS 587.A N GLU 583.A O no hydrogen 2.849 N/A MET 591.A N SER 584.A OG no hydrogen 3.310 N/A THR 592.A OG1 ASP 590.A OD1 no hydrogen 2.708 N/A THR 592.A OG1 ASP 590.A OD2 no hydrogen 3.085 N/A PHE 595.A N MET 591.A O no hydrogen 3.145 N/A PHE 596.A N THR 592.A O no hydrogen 2.960 N/A ARG 597.A N GLU 593.A O no hydrogen 2.877 N/A GLU 600.A N ASN 598.A O no hydrogen 2.756 N/A ASN 601.A ND2 LYS 614.A O no hydrogen 2.938 N/A ASP 602.A N GLY 615.A O no hydrogen 3.359 N/A TRP 603.A N GLY 615.A O no hydrogen 3.178 N/A ILE 605.A N GLU 613.A O no hydrogen 2.945 N/A SER 608.A N GLY 611.A O no hydrogen 2.748 N/A SER 608.A OG GLY 611.A O no hydrogen 3.283 N/A SER 608.A OG GLU 613.A OE2 no hydrogen 2.752 N/A GLY 611.A N SER 608.A O no hydrogen 2.946 N/A GLU 613.A N GLY 606.A O no hydrogen 2.622 N/A GLY 615.A N TRP 603.A O no hydrogen 2.784 N/A LYS 619.A NZ SER 399.A O no hydrogen 3.533 N/A VAL 620.A N THR 616.A O no hydrogen 3.112 N/A CYS 621.A N ILE 617.A O no hydrogen 2.936 N/A CYS 621.A SG ILE 617.A O no hydrogen 3.240 N/A ARG 622.A N GLY 618.A O no hydrogen 3.020 N/A ARG 622.A NE SER 399.A O no hydrogen 3.039 N/A VAL 623.A N LYS 619.A O no hydrogen 2.868 N/A LEU 624.A N VAL 620.A O no hydrogen 2.949 N/A LEU 625.A N CYS 621.A O no hydrogen 2.936 N/A ALA 626.A N ARG 622.A O no hydrogen 2.911 N/A LYS 627.A N VAL 623.A O no hydrogen 2.941 N/A SER 628.A N LEU 624.A O no hydrogen 3.036 N/A SER 628.A OG LEU 624.A O no hydrogen 2.856 N/A VAL 629.A N LEU 625.A O no hydrogen 2.934 N/A PHE 630.A N ALA 626.A O no hydrogen 2.905 N/A ASN 631.A N LYS 627.A O no hydrogen 2.922 N/A SER 632.A N SER 628.A O no hydrogen 3.014 N/A ILE 633.A N VAL 629.A O no hydrogen 2.880 N/A TYR 634.A N PHE 630.A O no hydrogen 3.055 N/A TYR 634.A OH GLN 267.A OE1 no hydrogen 2.636 N/A SER 636.A OG ASP 681.A OD2 no hydrogen 3.212 N/A GLN 638.A NE2 ASN 680.A OD1 no hydrogen 2.567 N/A LEU 639.A N SER 636.A OG no hydrogen 3.356 N/A GLU 640.A N SER 636.A O no hydrogen 3.271 N/A GLY 641.A N ALA 637.A O no hydrogen 2.980 N/A PHE 642.A N GLN 638.A O no hydrogen 2.919 N/A SER 643.A N LEU 639.A O no hydrogen 2.941 N/A SER 643.A OG LEU 639.A O no hydrogen 2.725 N/A ALA 644.A N GLU 640.A O no hydrogen 3.096 N/A GLU 645.A N GLY 641.A O no hydrogen 2.972 N/A SER 646.A N PHE 642.A O no hydrogen 2.895 N/A SER 646.A OG PHE 642.A O no hydrogen 2.320 N/A SER 646.A OG SER 643.A O no hydrogen 3.534 N/A ARG 647.A N SER 643.A O no hydrogen 3.019 N/A LYS 648.A N GLU 645.A O no hydrogen 3.391 N/A LEU 650.A N SER 646.A O no hydrogen 3.011 N/A LEU 651.A N ARG 647.A O no hydrogen 2.930 N/A LEU 652.A N LYS 648.A O no hydrogen 2.933 N/A ILE 653.A N LEU 649.A O no hydrogen 2.982 N/A GLN 654.A N LEU 650.A O no hydrogen 2.990 N/A GLN 654.A NE2 ASP 658.A OD1 no hydrogen 2.948 N/A GLN 654.A NE2 ASP 658.A OD2 no hydrogen 3.368 N/A ALA 655.A N LEU 651.A O no hydrogen 2.867 N/A PHE 656.A N LEU 652.A O no hydrogen 2.977 N/A ARG 657.A N ILE 653.A O no hydrogen 3.010 N/A ASP 658.A N GLN 654.A O no hydrogen 3.053 N/A ASN 659.A N PHE 656.A O no hydrogen 3.170 N/A LEU 660.A N ALA 655.A O no hydrogen 3.053 N/A THR 664.A N GLU 247.A O no hydrogen 2.708 N/A THR 664.A OG1 GLU 247.A O no hydrogen 3.260 N/A THR 664.A OG1 GLU 247.A OE1 no hydrogen 2.545 N/A LEU 667.A N GLU 247.A OE1 no hydrogen 3.399 N/A GLY 669.A N ASP 666.A OD1 no hydrogen 3.336 N/A LEU 670.A N ASP 666.A O no hydrogen 3.285 N/A TYR 671.A N LEU 667.A O no hydrogen 2.935 N/A TYR 671.A OH ARG 255.A O no hydrogen 2.564 N/A GLU 672.A N LYS 668.A O no hydrogen 2.964 N/A ALA 673.A N GLY 669.A O no hydrogen 2.904 N/A ILE 674.A N LEU 670.A O no hydrogen 2.931 N/A GLU 675.A N TYR 671.A O no hydrogen 2.933 N/A CYS 677.A N ILE 674.A O no hydrogen 3.030 N/A CYS 677.A SG ALA 673.A O no hydrogen 3.446 N/A ILE 679.A N GLN 638.A OE1 no hydrogen 3.033 N/A ASN 680.A N GLN 638.A OE1 no hydrogen 3.071 N/A ASP 681.A N GLN 638.A OE1 no hydrogen 3.280 N/A TRP 683.A NE1 ASN 631.A OD1 no hydrogen 2.671 N/A LEU 685.A N ASP 681.A O no hydrogen 3.097 N/A LEU 686.A N PRO 682.A O no hydrogen 2.972 N/A ASN 687.A N TRP 683.A O no hydrogen 2.895 N/A ALA 688.A N VAL 684.A O no hydrogen 2.913 N/A SER 689.A N LEU 685.A O no hydrogen 2.964 N/A TRP 690.A N LEU 686.A O no hydrogen 2.865 N/A TRP 690.A NE1 GLN 392.A OE1 no hydrogen 3.075 N/A PHE 691.A N ASN 687.A O no hydrogen 2.922 N/A ASN 692.A N ALA 688.A O no hydrogen 3.027 N/A ASN 692.A ND2 LEU 257.A O no hydrogen 3.314 N/A SER 693.A N SER 689.A O no hydrogen 2.983 N/A SER 693.A OG SER 689.A O no hydrogen 3.053 N/A PHE 694.A N TRP 690.A O no hydrogen 2.927 N/A LEU 695.A N PHE 691.A O no hydrogen 2.932 N/A LYS 696.A N ASN 692.A O no hydrogen 2.990 N/A LYS 696.A NZ GLN 699.A OE1 no hydrogen 3.361 N/A ALA 697.A N SER 693.A O no hydrogen 2.970 N/A VAL 698.A N PHE 694.A O no hydrogen 2.917 N/A GLN 699.A N LEU 695.A O no hydrogen 2.942 N/A GLN 699.A NE2 PRO 251.A O no hydrogen 2.378 N/A GLN 699.A NE2 ILE 254.A O no hydrogen 3.654 N/A LEU 700.A N LYS 696.A O no hydrogen 2.934 N/A SER 701.A N ALA 697.A O no hydrogen 2.981 N/A SER 701.A OG VAL 698.A O no hydrogen 2.818 N/A GLY 703.A N LEU 700.A O no hydrogen 3.352 N/A