Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG LEU 1.A O no hydrogen 2.555 N/A GLU 5.A N ASP 4.A OD1 no hydrogen 2.681 N/A TYR 6.A N SER 2.A O no hydrogen 2.738 N/A GLN 7.A NE2 ASP 4.A O no hydrogen 3.588 N/A GLN 7.A NE2 TYR 73.A OH no hydrogen 3.166 N/A ARG 10.A NE GLN 7.A O no hydrogen 2.639 N/A LYS 11.A N GLY 8.A O no hydrogen 3.489 N/A THR 15.A N TRP 12.A O no hydrogen 3.077 N/A THR 15.A OG1 TRP 12.A O no hydrogen 2.328 N/A ALA 17.A N CYS 13.A O no hydrogen 3.505 N/A PHE 18.A N PHE 14.A O no hydrogen 2.939 N/A ASN 19.A N THR 15.A O no hydrogen 2.901 N/A LYS 20.A N ILE 16.A O no hydrogen 2.891 N/A LYS 20.A NZ HIS 707.A NE2 no hydrogen 3.159 N/A ALA 21.A N ALA 17.A O no hydrogen 2.910 N/A LEU 22.A N PHE 18.A O no hydrogen 2.936 N/A VAL 23.A N ASN 19.A O no hydrogen 3.268 N/A ASN 24.A N LYS 20.A O no hydrogen 2.921 N/A ASN 24.A ND2 PHE 139.A O no hydrogen 2.440 N/A ARG 25.A N ALA 21.A O no hydrogen 2.906 N/A ASP 26.A N LEU 22.A O no hydrogen 2.932 N/A LYS 27.A N VAL 23.A O no hydrogen 3.149 N/A ASN 28.A N ASN 24.A O no hydrogen 3.125 N/A GLY 30.A N ASN 28.A OD1 no hydrogen 2.717 N/A GLU 34.A N GLY 30.A O no hydrogen 2.887 N/A SER 35.A N LEU 31.A O no hydrogen 2.865 N/A SER 35.A OG TYR 172.A O no hydrogen 2.588 N/A LEU 36.A N PHE 32.A O no hydrogen 2.952 N/A LEU 37.A N VAL 33.A O no hydrogen 2.890 N/A LEU 37.A N GLU 34.A O no hydrogen 3.115 N/A LYS 41.A N LEU 37.A O no hydrogen 3.236 N/A LYS 41.A NZ GLU 34.A OE1 no hydrogen 3.337 N/A LYS 41.A NZ GLU 34.A OE2 no hydrogen 3.197 N/A SER 43.A N GLU 40.A O no hydrogen 3.325 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.693 N/A THR 52.A OG1 ASP 49.A O no hydrogen 2.507 N/A ARG 53.A N ASP 49.A O no hydrogen 2.692 N/A ARG 53.A NH2 ASP 46.A OD2 no hydrogen 2.347 N/A ALA 54.A N GLU 50.A O no hydrogen 2.895 N/A LEU 55.A N ASP 51.A O no hydrogen 2.895 N/A ILE 56.A N THR 52.A O no hydrogen 2.897 N/A LYS 57.A N ARG 53.A O no hydrogen 2.903 N/A CYS 58.A N ALA 54.A O no hydrogen 2.908 N/A CYS 58.A SG ALA 54.A O no hydrogen 3.349 N/A CYS 58.A SG LEU 55.A O no hydrogen 3.110 N/A SER 59.A N LEU 55.A O no hydrogen 2.895 N/A ALA 67.A N ALA 63.A O no hydrogen 2.925 N/A GLU 68.A N ASN 64.A O no hydrogen 2.887 N/A ALA 69.A N ALA 65.A O no hydrogen 2.907 N/A LEU 70.A N LYS 66.A O no hydrogen 2.937 N/A ALA 71.A N ALA 67.A O no hydrogen 2.922 N/A ASN 72.A N GLU 68.A O no hydrogen 3.169 N/A TYR 73.A N ALA 69.A O no hydrogen 3.245 N/A PHE 74.A N LEU 70.A O no hydrogen 2.974 N/A SER 75.A N ASN 72.A O no hydrogen 3.191 N/A SER 75.A OG ALA 71.A O no hydrogen 3.240 N/A SER 75.A OG ASN 72.A O no hydrogen 2.466 N/A ALA 76.A N ASN 72.A O no hydrogen 3.433 N/A PHE 86.A N ASP 125.A O no hydrogen 3.108 N/A ASP 90.A N THR 87.A O no hydrogen 3.416 N/A THR 94.A OG1 GLU 91.A O no hydrogen 2.255 N/A ILE 95.A N GLU 91.A O no hydrogen 2.939 N/A MET 96.A N LEU 92.A O no hydrogen 2.923 N/A GLU 97.A N ARG 93.A O no hydrogen 3.281 N/A ARG 98.A N THR 94.A O no hydrogen 2.949 N/A ARG 98.A NE GLU 97.A OE1 no hydrogen 2.891 N/A ALA 99.A N ILE 95.A O no hydrogen 2.914 N/A TYR 100.A N MET 96.A O no hydrogen 2.888 N/A TYR 100.A OH PHE 118.A O no hydrogen 3.176 N/A GLU 101.A N GLU 97.A O no hydrogen 2.883 N/A ARG 102.A N ARG 98.A O no hydrogen 2.953 N/A ARG 102.A NH1 ARG 102.A O no hydrogen 2.475 N/A ALA 103.A N ALA 99.A O no hydrogen 2.886 N/A ILE 104.A N TYR 100.A O no hydrogen 2.897 N/A PHE 105.A N GLU 101.A O no hydrogen 2.934 N/A GLU 106.A N ARG 102.A O no hydrogen 2.908 N/A CYS 107.A N ALA 103.A O no hydrogen 2.915 N/A CYS 107.A SG ALA 103.A O no hydrogen 3.391 N/A ARG 108.A N ILE 104.A O no hydrogen 2.835 N/A ARG 109.A N PHE 105.A O no hydrogen 2.918 N/A ARG 109.A N GLU 106.A O no hydrogen 3.181 N/A ARG 110.A N CYS 107.A O no hydrogen 3.040 N/A THR 112.A OG1 GLU 113.A OE1 no hydrogen 2.455 N/A VAL 132.A N THR 128.A O no hydrogen 3.270 N/A VAL 133.A N THR 129.A O no hydrogen 2.907 N/A PHE 134.A N ALA 130.A O no hydrogen 2.915 N/A PHE 135.A N GLY 131.A O no hydrogen 2.925 N/A VAL 136.A N VAL 132.A O no hydrogen 2.901 N/A SER 137.A N PHE 134.A O no hydrogen 3.259 N/A SER 137.A OG PHE 134.A O no hydrogen 2.277 N/A PHE 138.A N PHE 135.A O no hydrogen 3.346 N/A ARG 143.A N GLU 141.A OE1 no hydrogen 2.364 N/A VAL 144.A N GLU 141.A OE2 no hydrogen 2.767 N/A LEU 145.A N GLU 141.A O no hydrogen 3.427 N/A ASP 146.A N ARG 142.A O no hydrogen 2.899 N/A ARG 147.A N ARG 143.A O no hydrogen 2.921 N/A LEU 148.A N VAL 144.A O no hydrogen 2.909 N/A TYR 149.A N LEU 145.A O no hydrogen 2.844 N/A GLY 150.A N ARG 147.A O no hydrogen 2.919 N/A SER 153.A N GLY 150.A O no hydrogen 3.143 N/A LYS 156.A N SER 153.A O no hydrogen 3.430 N/A LYS 157.A NZ GLY 154.A O no hydrogen 3.220 N/A TYR 162.A N GLU 159.A O no hydrogen 3.149 N/A THR 165.A N GLN 161.A O no hydrogen 3.196 N/A THR 165.A OG1 TYR 149.A OH no hydrogen 3.381 N/A THR 165.A OG1 GLN 161.A O no hydrogen 3.400 N/A THR 165.A OG1 TYR 162.A O no hydrogen 2.373 N/A ARG 166.A N TYR 162.A O no hydrogen 2.915 N/A ARG 166.A NH2 ASP 146.A OD1 no hydrogen 2.485 N/A LYS 167.A N LYS 163.A O no hydrogen 2.938 N/A ALA 168.A N LEU 164.A O no hydrogen 2.897 N/A LEU 169.A N THR 165.A O no hydrogen 3.325 N/A SER 170.A N ARG 166.A O no hydrogen 3.281 N/A SER 170.A OG ARG 166.A O no hydrogen 2.816 N/A MET 171.A N ALA 168.A O no hydrogen 3.384 N/A TYR 172.A OH ALA 99.A O no hydrogen 2.815 N/A CYS 173.A N SER 170.A O no hydrogen 3.084 N/A CYS 173.A SG SER 137.A O no hydrogen 4.037 N/A CYS 173.A SG VAL 140.A O no hydrogen 3.757 N/A CYS 173.A SG LEU 174.A O no hydrogen 3.783 N/A ARG 178.A N SER 177.A OG no hydrogen 2.508 N/A THR 180.A OG1 LYS 181.A O no hydrogen 3.569 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 3.250 N/A LEU 188.A N ASP 184.A O no hydrogen 3.434 N/A LEU 189.A N LYS 185.A O no hydrogen 2.937 N/A PHE 190.A N ARG 186.A O no hydrogen 2.932 N/A ARG 191.A N VAL 187.A O no hydrogen 2.982 N/A ILE 193.A N LEU 189.A O no hydrogen 2.937 N/A LEU 194.A N PHE 190.A O no hydrogen 3.024 N/A ALA 195.A N ARG 191.A O no hydrogen 2.943 N/A GLN 196.A N ASP 192.A O no hydrogen 2.889 N/A LEU 197.A N ILE 193.A O no hydrogen 2.929 N/A GLY 198.A N LEU 194.A O no hydrogen 3.005 N/A GLY 198.A N ALA 195.A O no hydrogen 3.211 N/A ARG 199.A NE GLU 217.A OE2 no hydrogen 3.277 N/A ARG 199.A NH2 GLU 217.A OE1 no hydrogen 2.608 N/A ARG 199.A NH2 GLU 217.A OE2 no hydrogen 2.872 N/A ILE 200.A N PRO 221.A O no hydrogen 3.426 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.669 N/A TYR 205.A N PRO 201.A O no hydrogen 3.023 N/A GLU 206.A N ALA 202.A O no hydrogen 2.924 N/A GLU 206.A N GLU 203.A O no hydrogen 3.228 N/A TYR 207.A N ALA 204.A O no hydrogen 3.241 N/A TYR 208.A N ALA 204.A O no hydrogen 2.924 N/A TYR 208.A OH HIS 544.A O no hydrogen 2.510 N/A GLY 210.A N TYR 207.A O no hydrogen 3.005 N/A GLY 218.A N ASP 215.A O no hydrogen 2.982 N/A ARG 223.A N ILE 200.A O no hydrogen 3.193 N/A ARG 223.A NH1 ASP 565.A OD2 no hydrogen 2.935 N/A ARG 223.A NH2 ARG 199.A O no hydrogen 3.133 N/A ARG 223.A NH2 ASP 565.A OD2 no hydrogen 3.467 N/A ALA 232.A N PHE 228.A O no hydrogen 2.964 N/A LEU 233.A N ILE 229.A O no hydrogen 2.939 N/A HIS 234.A N GLU 230.A O no hydrogen 3.289 N/A TYR 235.A N PHE 231.A O no hydrogen 2.970 N/A TYR 235.A OH SER 307.A OG no hydrogen 2.237 N/A LEU 236.A N ALA 232.A O no hydrogen 2.928 N/A GLU 237.A N LEU 233.A O no hydrogen 2.932 N/A ALA 238.A N HIS 234.A O no hydrogen 2.946 N/A GLN 239.A N TYR 235.A O no hydrogen 2.931 N/A GLN 239.A NE2 TYR 235.A OH no hydrogen 3.518 N/A HIS 240.A N LEU 236.A O no hydrogen 3.295 N/A SER 241.A OG GLU 242.A OE1 no hydrogen 2.853 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.623 N/A CYS 244.A SG PHE 245.A O no hydrogen 3.744 N/A CYS 244.A SG PHE 264.A O no hydrogen 3.991 N/A GLY 246.A N ILE 281.A O no hydrogen 3.162 N/A ARG 247.A N ASP 263.A O no hydrogen 2.895 N/A ARG 247.A NH1 TYR 273.A OH no hydrogen 3.473 N/A ARG 247.A NH2 GLN 271.A O no hydrogen 3.492 N/A ARG 248.A N SER 272.A O no hydrogen 3.298 N/A ARG 252.A NH1 ARG 252.A O no hydrogen 3.533 N/A ASP 263.A N ARG 247.A O no hydrogen 2.936 N/A LYS 267.A NZ SER 265.A OG no hydrogen 3.276 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.516 N/A ASP 270.A N ASP 268.A OD1 no hydrogen 2.853 N/A GLN 271.A NE2 ASP 263.A OD1 no hydrogen 3.405 N/A TYR 273.A OH GLU 237.A OE2 no hydrogen 2.934 N/A VAL 280.A N MET 295.A O no hydrogen 2.923 N/A VAL 282.A N TYR 293.A O no hydrogen 2.924 N/A ILE 284.A N ARG 291.A O no hydrogen 2.908 N/A ARG 291.A N ILE 284.A O no hydrogen 3.086 N/A ARG 291.A NH1 TYR 320.A O no hydrogen 2.876 N/A TYR 293.A N VAL 282.A O no hydrogen 3.217 N/A MET 295.A N VAL 280.A O no hydrogen 2.887 N/A LEU 300.A N LEU 297.A O no hydrogen 2.982 N/A LYS 301.A N LEU 297.A O no hydrogen 2.984 N/A VAL 304.A N LEU 300.A O no hydrogen 2.980 N/A LEU 305.A N LYS 301.A O no hydrogen 2.931 N/A LEU 306.A N TYR 302.A O no hydrogen 2.863 N/A SER 307.A N LEU 303.A O no hydrogen 2.971 N/A SER 307.A OG TYR 235.A OH no hydrogen 2.237 N/A SER 307.A OG VAL 304.A O no hydrogen 3.085 N/A GLY 310.A N SER 307.A O no hydrogen 2.980 N/A ASP 314.A N ASP 313.A OD1 no hydrogen 2.598 N/A ILE 316.A N GLY 312.A O no hydrogen 3.276 N/A ALA 317.A N ASP 313.A O no hydrogen 3.222 N/A LYS 318.A N ASP 314.A O no hydrogen 3.236 N/A LEU 319.A N ALA 315.A O no hydrogen 3.283 N/A TYR 320.A N ILE 316.A O no hydrogen 3.207 N/A ARG 321.A N ALA 317.A O no hydrogen 3.324 N/A ARG 321.A N LYS 318.A O no hydrogen 2.945 N/A TYR 322.A N LEU 319.A O no hydrogen 2.948 N/A ARG 323.A N TYR 293.A OH no hydrogen 2.974 N/A HIS 325.A N ARG 321.A O no hydrogen 3.393 N/A VAL 326.A N TYR 322.A O no hydrogen 3.211 N/A GLU 327.A N ARG 323.A O no hydrogen 3.186 N/A ASN 328.A N GLN 324.A O no hydrogen 3.346 N/A ILE 329.A N HIS 325.A O no hydrogen 3.229 N/A LEU 330.A N VAL 326.A O no hydrogen 3.138 N/A ASP 331.A N ASN 328.A O no hydrogen 2.946 N/A VAL 332.A N ILE 329.A O no hydrogen 2.916 N/A VAL 335.A N VAL 332.A O no hydrogen 2.902 N/A THR 336.A N VAL 332.A O no hydrogen 2.613 N/A ASP 337.A N THR 336.A OG1 no hydrogen 2.814 N/A ASN 340.A N ASP 337.A OD1 no hydrogen 3.296 N/A ASN 340.A ND2 THR 336.A OG1 no hydrogen 2.370 N/A HIS 341.A N ASP 337.A O no hydrogen 2.887 N/A VAL 342.A N LYS 338.A O no hydrogen 2.963 N/A PHE 343.A N ASN 340.A O no hydrogen 3.208 N/A GLU 350.A N ARG 346.A O no hydrogen 2.886 N/A GLY 353.A N GLU 350.A O no hydrogen 2.918 N/A ILE 354.A N LEU 349.A O no hydrogen 3.273 N/A ARG 356.A NE GLU 350.A O no hydrogen 3.620 N/A ARG 362.A N ALA 358.A O no hydrogen 3.315 N/A ILE 363.A N PHE 359.A O no hydrogen 2.959 N/A ASP 364.A N LYS 360.A O no hydrogen 2.930 N/A GLY 365.A N GLN 361.A O no hydrogen 2.889 N/A ARG 366.A N ARG 362.A O no hydrogen 2.950 N/A ARG 366.A NH1 VAL 479.A O no hydrogen 3.542 N/A VAL 367.A N ILE 363.A O no hydrogen 2.973 N/A LYS 368.A N ASP 364.A O no hydrogen 3.469 N/A LYS 368.A NZ ASP 364.A O no hydrogen 2.720 N/A HIS 369.A N GLY 365.A O no hydrogen 3.465 N/A VAL 370.A N ARG 366.A O no hydrogen 2.991 N/A ARG 371.A N VAL 367.A O no hydrogen 2.917 N/A GLY 372.A N LYS 368.A O no hydrogen 2.863 N/A VAL 373.A N HIS 369.A O no hydrogen 2.967 N/A TRP 374.A N VAL 370.A O no hydrogen 2.961 N/A GLU 375.A N ARG 371.A O no hydrogen 2.875 N/A LYS 376.A N GLY 372.A O no hydrogen 2.936 N/A LYS 377.A N VAL 373.A O no hydrogen 2.951 N/A LYS 378.A N TRP 374.A O no hydrogen 3.088 N/A LYS 378.A NZ GLN 457.A OE1 no hydrogen 2.589 N/A LYS 378.A NZ ASP 461.A OD1 no hydrogen 2.696 N/A ALA 379.A N GLU 375.A O no hydrogen 3.271 N/A ALA 380.A N LYS 376.A O no hydrogen 2.946 N/A THR 381.A OG1 LYS 378.A O no hydrogen 2.595 N/A GLU 383.A N GLU 383.A OE1 no hydrogen 2.405 N/A MET 384.A N ALA 380.A O no hydrogen 3.435 N/A LYS 389.A N THR 385.A O no hydrogen 3.144 N/A LYS 389.A NZ THR 381.A O no hydrogen 2.891 N/A LYS 389.A NZ MET 384.A O no hydrogen 2.936 N/A ALA 390.A N LEU 386.A O no hydrogen 2.909 N/A ARG 391.A N HIS 387.A O no hydrogen 3.497 N/A ARG 391.A NH2 HIS 387.A NE2 no hydrogen 3.394 N/A ASP 392.A N GLU 388.A O no hydrogen 2.930 N/A ILE 393.A N LYS 389.A O no hydrogen 2.916 N/A LEU 394.A N ALA 390.A O no hydrogen 2.938 N/A GLN 395.A N ARG 391.A O no hydrogen 2.941 N/A ASN 398.A N LEU 394.A O no hydrogen 2.947 N/A GLU 399.A N GLN 395.A O no hydrogen 2.902 N/A ASN 400.A N TYR 396.A O no hydrogen 2.930 N/A ASN 400.A ND2 ASP 439.A OD2 no hydrogen 3.462 N/A CYS 401.A N VAL 397.A O no hydrogen 3.006 N/A CYS 401.A SG ARG 403.A O no hydrogen 3.148 N/A CYS 401.A SG ARG 437.A O no hydrogen 3.167 N/A GLU 409.A N ASN 406.A O no hydrogen 3.128 N/A GLU 409.A N ASN 406.A OD1 no hydrogen 2.810 N/A TYR 410.A N PRO 407.A O no hydrogen 3.295 N/A LEU 413.A N GLU 409.A O no hydrogen 3.393 N/A LEU 414.A N TYR 410.A O no hydrogen 2.943 N/A VAL 415.A N ASN 411.A O no hydrogen 2.903 N/A CYS 416.A N ARG 412.A O no hydrogen 2.894 N/A CYS 416.A SG ARG 412.A O no hydrogen 3.182 N/A LEU 417.A N LEU 413.A O no hydrogen 2.910 N/A VAL 418.A N LEU 414.A O no hydrogen 2.931 N/A GLY 419.A N VAL 415.A O no hydrogen 2.892 N/A GLY 419.A N CYS 416.A O no hydrogen 3.291 N/A LYS 420.A N LEU 417.A O no hydrogen 3.275 N/A VAL 422.A N LYS 420.A O no hydrogen 3.014 N/A GLU 423.A N GLU 423.A OE1 no hydrogen 2.660 N/A ASN 424.A N ASP 421.A O no hydrogen 3.196 N/A ASN 424.A N ASP 421.A OD1 no hydrogen 2.981 N/A GLN 426.A N VAL 422.A O no hydrogen 2.892 N/A ALA 427.A N GLU 423.A O no hydrogen 2.894 N/A GLY 428.A N ASN 424.A O no hydrogen 2.902 N/A LEU 429.A N PHE 425.A O no hydrogen 2.916 N/A LYS 430.A N GLN 426.A O no hydrogen 2.887 N/A LYS 430.A NZ TYR 443.A OH no hydrogen 3.536 N/A ARG 431.A N ALA 427.A O no hydrogen 2.913 N/A LEU 432.A N GLY 428.A O no hydrogen 2.927 N/A GLN 433.A N LEU 429.A O no hydrogen 2.886 N/A LEU 434.A N LYS 430.A O no hydrogen 3.338 N/A GLU 436.A N GLN 433.A O no hydrogen 2.915 N/A ARG 437.A N LEU 432.A O no hydrogen 3.034 N/A ASP 439.A N ASN 400.A OD1 no hydrogen 3.511 N/A SER 444.A N GLY 440.A O no hydrogen 2.912 N/A SER 444.A OG GLY 440.A O no hydrogen 3.459 N/A SER 444.A OG ARG 441.A O no hydrogen 2.448 N/A ILE 445.A N ARG 441.A O no hydrogen 2.911 N/A PHE 446.A N VAL 442.A O no hydrogen 2.915 N/A ALA 447.A N TYR 443.A O no hydrogen 3.218 N/A GLN 448.A NE2 SER 444.A O no hydrogen 3.069 N/A THR 449.A OG1 PHE 446.A O no hydrogen 2.891 N/A SER 450.A N GLU 454.A OE1 no hydrogen 2.760 N/A SER 450.A OG GLU 454.A OE1 no hydrogen 3.213 N/A THR 451.A N GLU 454.A OE1 no hydrogen 2.868 N/A GLU 454.A N THR 451.A OG1 no hydrogen 3.154 N/A MET 455.A N THR 451.A O no hydrogen 3.119 N/A HIS 456.A N ILE 452.A O no hydrogen 2.899 N/A GLN 457.A N ASN 453.A O no hydrogen 2.930 N/A GLN 457.A NE2 LYS 378.A O no hydrogen 3.083 N/A VAL 458.A N GLU 454.A O no hydrogen 2.904 N/A VAL 459.A N MET 455.A O no hydrogen 2.900 N/A CYS 460.A N HIS 456.A O no hydrogen 2.901 N/A CYS 460.A SG GLN 457.A O no hydrogen 3.054 N/A CYS 460.A SG GLN 457.A OE1 no hydrogen 3.369 N/A CYS 460.A SG ASP 461.A OD1 no hydrogen 3.398 N/A ASP 461.A N GLN 457.A O no hydrogen 2.924 N/A GLN 462.A N VAL 458.A O no hydrogen 3.045 N/A GLN 462.A NE2 VAL 458.A O no hydrogen 3.508 N/A ILE 463.A N VAL 459.A O no hydrogen 2.930 N/A LEU 464.A N CYS 460.A O no hydrogen 2.908 N/A ASN 465.A N ASP 461.A O no hydrogen 2.894 N/A ARG 466.A N GLN 462.A O no hydrogen 2.910 N/A LEU 467.A N ILE 463.A O no hydrogen 2.914 N/A CYS 468.A N LEU 464.A O no hydrogen 2.883 N/A CYS 468.A N ASN 465.A O no hydrogen 2.989 N/A ARG 469.A N ASN 465.A O no hydrogen 3.193 N/A LEU 475.A N ASP 472.A O no hydrogen 3.067 N/A LEU 475.A N ASP 472.A OD1 no hydrogen 2.672 N/A ASP 477.A N GLN 473.A O no hydrogen 2.939 N/A TYR 478.A N LYS 474.A O no hydrogen 2.878 N/A VAL 479.A N LEU 475.A O no hydrogen 2.933 N/A GLY 480.A N TYR 476.A O no hydrogen 2.882 N/A LEU 481.A N TYR 476.A O no hydrogen 3.155 N/A LYS 484.A NZ GLY 482.A O no hydrogen 2.557 N/A ILE 487.A N ASP 485.A OD1 no hydrogen 3.247 N/A LYS 490.A N ASP 488.A OD2 no hydrogen 2.969 N/A VAL 493.A N TYR 489.A O no hydrogen 2.936 N/A ALA 494.A N LYS 490.A O no hydrogen 2.920 N/A TRP 495.A N GLN 491.A O no hydrogen 2.903 N/A PHE 496.A N LYS 492.A O no hydrogen 2.912 N/A LYS 497.A N VAL 493.A O no hydrogen 2.918 N/A GLU 498.A N ALA 494.A O no hydrogen 2.926 N/A HIS 499.A N TRP 495.A O no hydrogen 2.936 N/A GLY 505.A N GLU 299.A OE2 no hydrogen 2.450 N/A LYS 510.A N LEU 507.A O no hydrogen 3.299 N/A SER 515.A OG LYS 517.A O no hydrogen 3.431 N/A LYS 517.A N SER 515.A OG no hydrogen 3.150 N/A LEU 522.A N GLY 518.A O no hydrogen 3.201 N/A VAL 523.A N PHE 519.A O no hydrogen 2.971 N/A GLU 524.A N ALA 520.A O no hydrogen 2.873 N/A GLU 525.A N LYS 521.A O no hydrogen 2.932 N/A LEU 527.A N VAL 523.A O no hydrogen 2.916 N/A GLU 528.A N GLU 524.A O no hydrogen 2.919 N/A SER 529.A N GLU 525.A O no hydrogen 2.943 N/A SER 529.A OG GLU 525.A O no hydrogen 3.191 N/A GLY 530.A N HIS 526.A O no hydrogen 2.875 N/A GLY 532.A N LEU 527.A O no hydrogen 3.180 N/A GLN 533.A N LEU 527.A O no hydrogen 3.438 N/A ARG 534.A NH2 GLN 573.A OE1 no hydrogen 2.396 N/A VAL 536.A N ASP 535.A OD1 no hydrogen 2.457 N/A ASP 539.A N ASP 539.A OD1 no hydrogen 2.376 N/A LYS 540.A NZ ASP 535.A OD2 no hydrogen 2.710 N/A TYR 542.A N ASP 539.A O no hydrogen 3.403 N/A HIS 544.A ND1 ILE 545.A O no hydrogen 3.049 N/A ASN 555.A ND2 ILE 545.A O no hydrogen 3.034 N/A ALA 557.A N ALA 554.A O no hydrogen 2.916 N/A TYR 559.A N ASN 555.A O no hydrogen 3.244 N/A GLU 560.A N ALA 557.A O no hydrogen 2.909 N/A THR 561.A N ALA 557.A O no hydrogen 3.214 N/A THR 561.A OG1 ALA 557.A O no hydrogen 3.509 N/A LEU 562.A N LEU 558.A O no hydrogen 3.099 N/A ARG 564.A N GLU 560.A O no hydrogen 3.102 N/A ASP 565.A N THR 561.A O no hydrogen 3.085 N/A ARG 566.A N LEU 562.A O no hydrogen 3.059 N/A ARG 566.A NH1 ASP 535.A OD2 no hydrogen 3.521 N/A CYS 568.A N ARG 564.A O no hydrogen 3.271 N/A LEU 569.A N ASP 565.A O no hydrogen 3.165 N/A MET 570.A N ARG 566.A O no hydrogen 3.446 N/A MET 571.A N LEU 567.A O no hydrogen 3.234 N/A ALA 572.A N CYS 568.A O no hydrogen 3.108 N/A GLN 573.A N LEU 569.A O no hydrogen 3.383 N/A TYR 574.A N MET 570.A O no hydrogen 3.366 N/A PHE 575.A N ALA 572.A O no hydrogen 2.954 N/A LEU 576.A N GLN 573.A O no hydrogen 2.935 N/A GLY 577.A N GLN 573.A O no hydrogen 2.936 N/A VAL 579.A N LEU 576.A O no hydrogen 3.281 N/A ARG 580.A NE GLU 582.A OE1 no hydrogen 2.338 N/A ARG 580.A NH1 ASP 622.A O no hydrogen 2.516 N/A GLU 582.A N GLU 582.A OE1 no hydrogen 2.511 N/A VAL 588.A N GLU 595.A O no hydrogen 2.943 N/A SER 590.A N SER 593.A O no hydrogen 3.406 N/A SER 590.A OG ASN 591.A OD1 no hydrogen 3.462 N/A SER 593.A N SER 590.A O no hydrogen 2.912 N/A SER 593.A OG PHE 610.A O no hydrogen 3.272 N/A ILE 594.A N PHE 610.A O no hydrogen 2.990 N/A GLU 595.A N VAL 588.A O no hydrogen 2.987 N/A LEU 596.A N ILE 608.A O no hydrogen 2.891 N/A LYS 606.A NZ PRO 636.A O no hydrogen 3.389 N/A LYS 606.A NZ GLU 638.A O no hydrogen 2.758 N/A ILE 608.A N LEU 596.A O no hydrogen 2.931 N/A VAL 609.A N ILE 642.A O no hydrogen 3.087 N/A PHE 610.A N ILE 594.A O no hydrogen 2.855 N/A TYR 615.A N SER 611.A O no hydrogen 3.167 N/A TYR 615.A OH GLY 577.A O no hydrogen 3.183 N/A GLY 616.A N VAL 612.A O no hydrogen 3.379 N/A LEU 621.A N LEU 618.A O no hydrogen 3.298 N/A ASP 623.A N ASP 623.A OD1 no hydrogen 2.403 N/A LEU 627.A N ALA 624.A O no hydrogen 2.975 N/A ARG 629.A N GLU 625.A O no hydrogen 2.958 N/A ILE 630.A N PHE 626.A O no hydrogen 2.911 N/A CYS 631.A N LEU 627.A O no hydrogen 2.949 N/A CYS 631.A SG LEU 627.A O no hydrogen 3.302 N/A GLU 632.A N GLY 628.A O no hydrogen 2.900 N/A TYR 633.A N ARG 629.A O no hydrogen 2.942 N/A PHE 634.A N ILE 630.A O no hydrogen 3.176 N/A LYS 639.A NZ HIS 637.A O no hydrogen 2.768 N/A ILE 642.A N SER 607.A O no hydrogen 3.288 N/A THR 646.A N ARG 643.A O no hydrogen 2.950 N/A TYR 648.A N TYR 644.A O no hydrogen 2.933 N/A TYR 648.A OH ASP 176.A OD2 no hydrogen 2.980 N/A GLU 649.A N HIS 645.A O no hydrogen 2.899 N/A LYS 650.A N THR 646.A O no hydrogen 2.918 N/A LYS 650.A N VAL 647.A O no hydrogen 3.264 N/A GLY 651.A N VAL 647.A O no hydrogen 2.912 N/A TYR 655.A N GLY 651.A O no hydrogen 2.956 N/A ASN 656.A N PHE 652.A O no hydrogen 2.917 N/A ASP 657.A N ARG 653.A O no hydrogen 2.945 N/A LEU 658.A N ALA 654.A O no hydrogen 2.952 N/A GLN 659.A N TYR 655.A O no hydrogen 2.908 N/A LYS 660.A N ASN 656.A O no hydrogen 3.001 N/A LYS 661.A NZ GLU 731.A O no hydrogen 2.931 N/A CYS 662.A N LEU 658.A O no hydrogen 2.983 N/A VAL 663.A N GLN 659.A O no hydrogen 2.897 N/A GLU 664.A N LYS 660.A O no hydrogen 3.016 N/A ALA 665.A N LYS 661.A O no hydrogen 3.269 N/A VAL 666.A N CYS 662.A O no hydrogen 2.970 N/A LEU 667.A N VAL 663.A O no hydrogen 2.943 N/A ALA 668.A N GLU 664.A O no hydrogen 2.961 N/A PHE 669.A N ALA 665.A O no hydrogen 2.917 N/A GLU 670.A N VAL 666.A O no hydrogen 2.915 N/A GLU 671.A N LEU 667.A O no hydrogen 2.959 N/A LYS 672.A N ALA 668.A O no hydrogen 2.933 N/A VAL 673.A N PHE 669.A O no hydrogen 2.914 N/A VAL 674.A N GLU 670.A O no hydrogen 2.921 N/A LYS 675.A N GLU 671.A O no hydrogen 2.960 N/A LYS 675.A NZ GLU 671.A OE1 no hydrogen 3.456 N/A LYS 675.A NZ GLU 671.A OE2 no hydrogen 3.394 N/A ALA 676.A N LYS 672.A O no hydrogen 2.899 N/A LYS 677.A N VAL 673.A O no hydrogen 2.905 N/A GLU 682.A N ASP 679.A O no hydrogen 3.307 N/A ALA 685.A N ARG 681.A O no hydrogen 2.896 N/A GLN 686.A N GLU 682.A O no hydrogen 2.919 N/A THR 687.A N ILE 683.A O no hydrogen 2.970 N/A THR 687.A OG1 LEU 684.A O no hydrogen 2.309 N/A CYS 689.A SG THR 687.A OG1 no hydrogen 2.853 N/A CYS 689.A SG LYS 690.A O no hydrogen 3.923 N/A LYS 690.A N GLU 693.A OE1 no hydrogen 3.290 N/A GLU 691.A N GLU 691.A OE1 no hydrogen 2.636 N/A LYS 694.A N LYS 690.A O no hydrogen 2.865 N/A LYS 694.A NZ LEU 684.A O no hydrogen 3.381 N/A LYS 694.A NZ THR 687.A O no hydrogen 2.357 N/A LYS 694.A NZ CYS 689.A O no hydrogen 2.432 N/A THR 695.A N GLU 691.A O no hydrogen 2.905 N/A THR 695.A OG1 GLU 691.A O no hydrogen 3.255 N/A THR 695.A OG1 ALA 692.A O no hydrogen 2.405 N/A ALA 696.A N ALA 692.A O no hydrogen 2.881 N/A VAL 697.A N GLU 693.A O no hydrogen 2.913 N/A ASN 698.A N LYS 694.A O no hydrogen 2.990 N/A LYS 699.A N THR 695.A O no hydrogen 2.850 N/A VAL 700.A N ALA 696.A O no hydrogen 2.891 N/A ALA 701.A N VAL 697.A O no hydrogen 2.954 N/A ARG 702.A N ASN 698.A O no hydrogen 2.886 N/A ALA 703.A N LYS 699.A O no hydrogen 2.885 N/A PHE 704.A N VAL 700.A O no hydrogen 3.336 N/A PHE 705.A N ALA 701.A O no hydrogen 2.958 N/A ALA 706.A N ARG 702.A O no hydrogen 2.858 N/A ALA 706.A N ALA 703.A O no hydrogen 3.155 N/A ASP 714.A N ASP 714.A OD1 no hydrogen 2.499 N/A PHE 716.A N ILE 713.A O no hydrogen 3.373 N/A LEU 718.A N ASP 714.A O no hydrogen 3.391 N/A PHE 719.A N GLU 715.A O no hydrogen 2.939 N/A SER 720.A N PHE 716.A O no hydrogen 2.869 N/A SER 720.A OG PHE 716.A O no hydrogen 2.801 N/A ASP 721.A N GLY 717.A O no hydrogen 2.938 N/A VAL 722.A N LEU 718.A O no hydrogen 2.949 N/A MET 723.A N PHE 719.A O no hydrogen 3.058 N/A LYS 724.A N SER 720.A O no hydrogen 2.900 N/A LYS 724.A NZ ASP 721.A O no hydrogen 3.517 N/A LYS 725.A N ASP 721.A O no hydrogen 2.923 N/A LYS 725.A N VAL 722.A O no hydrogen 3.233 N/A TYR 726.A N MET 723.A O no hydrogen 3.280 N/A GLY 727.A N LYS 724.A O no hydrogen 2.884 N/A LYS 733.A NZ TRP 732.A O no hydrogen 3.069 N/A