Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3a_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 31.A O no hydrogen 2.450 N/A LEU 6.A N GLU 15.A OE2 no hydrogen 2.957 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.702 N/A LYS 20.A N LEU 18.A O no hydrogen 2.784 N/A ALA 23.A N LYS 20.A O no hydrogen 3.202 N/A ASP 27.A N VAL 24.A O no hydrogen 3.152 N/A PHE 28.A N VAL 24.A O no hydrogen 2.859 N/A SER 33.A N TRP 29.A O no hydrogen 2.896 N/A SER 33.A OG TRP 29.A O no hydrogen 2.265 N/A GLU 34.A N ALA 30.A O no hydrogen 2.975 N/A SER 35.A N ILE 32.A O no hydrogen 2.889 N/A SER 35.A OG SER 35.A O no hydrogen 2.376 N/A LYS 38.A N SER 35.A O no hydrogen 3.302 N/A LYS 38.A N ASP 37.A OD1 no hydrogen 2.838 N/A GLU 40.A N VAL 36.A O no hydrogen 3.019 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 3.203 N/A VAL 41.A N ASP 37.A O no hydrogen 2.924 N/A LEU 42.A N LYS 38.A O no hydrogen 2.912 N/A TYR 43.A N ILE 39.A O no hydrogen 2.889 N/A GLU 44.A N GLU 40.A O no hydrogen 2.901 N/A ASP 45.A N VAL 41.A O no hydrogen 3.278 N/A ASP 45.A N LEU 42.A O no hydrogen 3.164 N/A GLY 47.A N ASP 45.A OD2 no hydrogen 3.158 N/A ALA 54.A N SER 50.A O no hydrogen 2.950 N/A ALA 55.A N ARG 51.A O no hydrogen 2.883 N/A LEU 56.A N GLN 52.A O no hydrogen 2.899 N/A VAL 57.A N PHE 53.A O no hydrogen 3.005 N/A ALA 58.A N ALA 54.A O no hydrogen 2.930 N/A SER 59.A N ALA 55.A O no hydrogen 2.852 N/A SER 59.A OG ALA 55.A O no hydrogen 2.995 N/A SER 59.A OG SER 71.A O no hydrogen 3.147 N/A LYS 60.A N LEU 56.A O no hydrogen 2.916 N/A VAL 61.A N VAL 57.A O no hydrogen 3.004 N/A PHE 62.A N ALA 58.A O no hydrogen 2.911 N/A TYR 63.A N SER 59.A O no hydrogen 2.814 N/A HIS 64.A N LYS 60.A O no hydrogen 3.025 N/A LEU 65.A N VAL 61.A O no hydrogen 2.948 N/A SER 71.A N ALA 67.A O no hydrogen 3.198 N/A SER 71.A OG SER 59.A O no hydrogen 2.956 N/A LEU 72.A N PHE 68.A O no hydrogen 2.891 N/A ASN 73.A N GLU 69.A O no hydrogen 2.911 N/A TYR 74.A N GLU 70.A O no hydrogen 2.951 N/A TYR 74.A OH GLU 40.A OE2 no hydrogen 3.173 N/A ALA 75.A N SER 71.A O no hydrogen 2.866 N/A LEU 76.A N LEU 72.A O no hydrogen 2.912 N/A GLY 77.A N ASN 73.A O no hydrogen 2.928 N/A ALA 78.A N ALA 75.A O no hydrogen 3.116 N/A GLY 79.A N ALA 75.A O no hydrogen 3.493 N/A ASN 85.A N PHE 82.A O no hydrogen 3.009 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 3.108 N/A TYR 90.A N SER 88.A OG no hydrogen 3.270 N/A GLU 92.A N SER 88.A O no hydrogen 3.286 N/A THR 93.A N GLU 89.A O no hydrogen 2.946 N/A THR 93.A OG1 GLU 89.A O no hydrogen 2.805 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.705 N/A ILE 94.A N TYR 90.A O no hydrogen 2.915 N/A ILE 95.A N VAL 91.A O no hydrogen 2.946 N/A LYS 97.A N THR 93.A O no hydrogen 2.978 N/A CYS 98.A N ILE 94.A O no hydrogen 2.909 N/A CYS 98.A SG LEU 124.A O no hydrogen 4.045 N/A ILE 99.A N ILE 95.A O no hydrogen 2.878 N/A ASP 100.A N ALA 96.A O no hydrogen 2.952 N/A HIS 101.A N LYS 97.A O no hydrogen 2.948 N/A TYR 102.A N CYS 98.A O no hydrogen 2.879 N/A THR 103.A N ILE 99.A O no hydrogen 2.896 N/A THR 103.A OG1 GLU 150.A O no hydrogen 2.884 N/A LYS 104.A N ASP 100.A O no hydrogen 3.011 N/A GLN 105.A N HIS 101.A O no hydrogen 2.962 N/A CYS 106.A N TYR 102.A O no hydrogen 2.864 N/A CYS 106.A SG TYR 102.A O no hydrogen 3.295 N/A CYS 106.A SG THR 151.A OG1 no hydrogen 3.660 N/A VAL 107.A N THR 103.A O no hydrogen 2.939 N/A GLU 108.A N LYS 104.A O no hydrogen 2.978 N/A ASN 109.A N GLN 105.A O no hydrogen 2.889 N/A ALA 110.A N CYS 106.A O no hydrogen 2.870 N/A ASP 111.A N VAL 107.A O no hydrogen 2.962 N/A ASP 111.A N GLU 108.A O no hydrogen 3.285 N/A LYS 118.A N ASN 109.A OD1 no hydrogen 2.496 N/A LEU 124.A N ASP 121.A OD2 no hydrogen 3.340 N/A GLU 125.A N ASP 121.A O no hydrogen 3.486 N/A GLY 126.A N GLN 122.A O no hydrogen 2.862 N/A ILE 127.A N ARG 123.A O no hydrogen 2.943 N/A VAL 128.A N LEU 124.A O no hydrogen 2.949 N/A ASN 129.A N GLU 125.A O no hydrogen 2.899 N/A LYS 130.A N GLY 126.A O no hydrogen 2.889 N/A MET 131.A N ILE 127.A O no hydrogen 2.925 N/A PHE 132.A N VAL 128.A O no hydrogen 2.890 N/A GLN 133.A N ASN 129.A O no hydrogen 2.883 N/A ARG 134.A N LYS 130.A O no hydrogen 2.931 N/A ARG 134.A NH2 ASN 83.A O no hydrogen 2.725 N/A CYS 135.A N MET 131.A O no hydrogen 2.869 N/A CYS 135.A SG MET 131.A O no hydrogen 3.163 N/A LEU 136.A N PHE 132.A O no hydrogen 2.878 N/A ASP 137.A N GLN 133.A O no hydrogen 2.901 N/A ASP 138.A N CYS 135.A O no hydrogen 3.241 N/A TYR 141.A OH HIS 139.A ND1 no hydrogen 2.824 N/A ILE 145.A N TYR 141.A O no hydrogen 2.929 N/A ILE 147.A N GLN 143.A O no hydrogen 2.979 N/A ALA 148.A N ALA 144.A O no hydrogen 2.875 N/A LEU 149.A N ILE 145.A O no hydrogen 2.977 N/A GLU 150.A N GLY 146.A O no hydrogen 2.956 N/A THR 151.A N ILE 147.A O no hydrogen 3.085 N/A ARG 152.A N LEU 149.A O no hydrogen 3.128 N/A VAL 156.A N ASP 155.A OD1 no hydrogen 2.703 N/A GLU 158.A N LEU 154.A O no hydrogen 2.878 N/A LYS 159.A N ASP 155.A O no hydrogen 2.886 N/A THR 160.A N VAL 156.A O no hydrogen 2.889 N/A THR 160.A OG1 VAL 156.A O no hydrogen 2.688 N/A THR 160.A OG1 PHE 157.A O no hydrogen 2.879 N/A ILE 161.A N PHE 157.A O no hydrogen 2.942 N/A LEU 162.A N GLU 158.A O no hydrogen 3.355 N/A ASP 166.A N SER 164.A O no hydrogen 2.585 N/A MET 170.A N VAL 167.A O no hydrogen 3.122 N/A TYR 173.A N GLY 169.A O no hydrogen 2.879 N/A SER 174.A N MET 170.A O no hydrogen 2.926 N/A SER 174.A OG MET 170.A O no hydrogen 3.552 N/A SER 174.A OG LEU 171.A O no hydrogen 2.611 N/A LEU 175.A N LEU 171.A O no hydrogen 2.890 N/A LYS 176.A N ALA 172.A O no hydrogen 2.861 N/A LEU 177.A N TYR 173.A O no hydrogen 2.964 N/A CYS 178.A N LEU 175.A O no hydrogen 3.079 N/A CYS 178.A SG SER 174.A O no hydrogen 3.196 N/A SER 180.A N LEU 177.A O no hydrogen 3.071 N/A SER 180.A OG LYS 176.A O no hydrogen 3.530 N/A SER 180.A OG LEU 177.A O no hydrogen 3.395 N/A LEU 181.A N LEU 177.A O no hydrogen 3.389 N/A GLN 183.A NE2 MET 182.A O no hydrogen 3.624 N/A GLN 186.A N ASN 184.A OD1 no hydrogen 3.073 N/A ARG 188.A NE CYS 178.A O no hydrogen 3.519 N/A ASN 189.A N LYS 185.A O no hydrogen 2.984 N/A LYS 190.A N ASN 189.A OD1 no hydrogen 2.659 N/A VAL 191.A N PHE 187.A O no hydrogen 2.955 N/A LEU 192.A N ARG 188.A O no hydrogen 2.849 N/A ARG 193.A N ASN 189.A O no hydrogen 2.891 N/A VAL 194.A N LYS 190.A O no hydrogen 2.954 N/A LEU 195.A N VAL 191.A O no hydrogen 2.913 N/A VAL 196.A N LEU 192.A O no hydrogen 2.935 N/A LYS 197.A N ARG 193.A O no hydrogen 2.912 N/A ILE 198.A N VAL 194.A O no hydrogen 2.953 N/A TYR 199.A N LEU 195.A O no hydrogen 2.935 N/A TYR 199.A OH LEU 171.A O no hydrogen 3.349 N/A MET 200.A N VAL 196.A O no hydrogen 2.918 N/A ASN 201.A N LYS 197.A O no hydrogen 2.908 N/A LEU 202.A N ILE 198.A O no hydrogen 3.016 N/A LYS 204.A NZ PRO 205.A O no hydrogen 2.411 N/A PHE 207.A N ASP 206.A OD1 no hydrogen 2.506 N/A CYS 211.A SG GLN 212.A OE1 no hydrogen 3.147 N/A CYS 213.A SG ILE 208.A O no hydrogen 3.209 N/A CYS 213.A SG ASN 209.A O no hydrogen 3.178 N/A ASP 218.A N ILE 215.A O no hydrogen 3.310 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.650 N/A VAL 223.A N ASP 219.A O no hydrogen 3.491 N/A SER 224.A N PRO 220.A O no hydrogen 2.927 N/A SER 224.A OG PRO 220.A O no hydrogen 3.364 N/A SER 224.A OG GLN 221.A O no hydrogen 2.612 N/A ASP 225.A N GLN 221.A O no hydrogen 2.888 N/A ILE 226.A N ALA 222.A O no hydrogen 2.937 N/A LEU 227.A N VAL 223.A O no hydrogen 2.919 N/A GLU 228.A N SER 224.A O no hydrogen 2.949 N/A LYS 229.A N ASP 225.A O no hydrogen 2.912 N/A LEU 230.A N ILE 226.A O no hydrogen 2.935 N/A VAL 231.A N LEU 227.A O no hydrogen 2.912 N/A LYS 232.A N GLU 228.A O no hydrogen 2.969 N/A GLU 233.A N LYS 229.A O no hydrogen 3.436 N/A ASP 234.A N VAL 231.A O no hydrogen 2.919 N/A ASN 235.A N LEU 230.A O no hydrogen 3.173 N/A ALA 239.A N ASN 235.A O no hydrogen 3.434 N/A TYR 240.A N LEU 236.A O no hydrogen 2.927 N/A GLN 241.A NE2 ILE 856.A O no hydrogen 3.120 N/A ILE 242.A N MET 238.A O no hydrogen 2.923 N/A CYS 243.A N ALA 239.A O no hydrogen 2.915 N/A CYS 243.A SG ALA 239.A O no hydrogen 3.224 N/A PHE 244.A N TYR 240.A O no hydrogen 2.967 N/A ASP 245.A N GLN 241.A O no hydrogen 2.909 N/A LEU 246.A N ILE 242.A O no hydrogen 2.895 N/A TYR 247.A N CYS 243.A O no hydrogen 2.927 N/A GLU 248.A N PHE 244.A O no hydrogen 2.933 N/A SER 249.A N ASP 245.A O no hydrogen 2.908 N/A SER 249.A OG THR 697.A OG1 no hydrogen 3.321 N/A ALA 250.A N LEU 246.A O no hydrogen 3.024 N/A SER 251.A OG GLN 252.A O no hydrogen 3.099 N/A GLN 253.A N GLN 252.A OE1 no hydrogen 3.204 N/A SER 257.A OG PHE 254.A O no hydrogen 2.516 N/A VAL 258.A N PHE 254.A O no hydrogen 2.927 N/A ILE 259.A N LEU 255.A O no hydrogen 2.901 N/A GLN 260.A N SER 256.A O no hydrogen 2.957 N/A ASN 261.A N SER 257.A O no hydrogen 2.907 N/A ASN 261.A ND2 SER 257.A O no hydrogen 2.587 N/A LEU 262.A N VAL 258.A O no hydrogen 2.858 N/A ARG 263.A N ILE 259.A O no hydrogen 2.928 N/A THR 264.A OG1 ARG 263.A O no hydrogen 2.618 N/A MET 270.A N GLN 266.A O no hydrogen 3.462 N/A ILE 271.A N THR 267.A O no hydrogen 2.897 N/A LYS 272.A N LEU 268.A O no hydrogen 2.895 N/A ILE 273.A N LYS 269.A O no hydrogen 2.919 N/A LEU 274.A N MET 270.A O no hydrogen 2.885 N/A SER 275.A N ILE 271.A O no hydrogen 2.919 N/A SER 275.A OG LYS 272.A O no hydrogen 2.455 N/A SER 275.A OG GLU 277.A OE2 no hydrogen 3.448 N/A GLY 276.A N LYS 272.A O no hydrogen 2.966 N/A ILE 280.A N GLY 276.A O no hydrogen 3.397 N/A GLU 281.A N GLU 277.A O no hydrogen 2.998 N/A LEU 282.A N MET 278.A O no hydrogen 2.892 N/A HIS 283.A N ALA 279.A O no hydrogen 2.953 N/A LEU 284.A N ILE 280.A O no hydrogen 2.924 N/A GLN 285.A N GLU 281.A O no hydrogen 2.878 N/A PHE 286.A N LEU 282.A O no hydrogen 2.896 N/A LEU 287.A N HIS 283.A O no hydrogen 2.929 N/A ILE 288.A N LEU 284.A O no hydrogen 2.927 N/A ARG 289.A N GLN 285.A O no hydrogen 2.941 N/A ARG 289.A NE GLN 285.A OE1 no hydrogen 2.559 N/A ARG 289.A NH2 PRO 872.A O no hydrogen 2.880 N/A ASN 290.A N PHE 286.A O no hydrogen 3.068 N/A THR 293.A OG1 HIS 322.A NE2 no hydrogen 3.250 N/A LYS 299.A N LEU 295.A O no hydrogen 2.945 N/A ASN 300.A N MET 296.A O no hydrogen 2.920 N/A THR 301.A N ILE 297.A O no hydrogen 2.934 N/A THR 301.A OG1 ILE 297.A O no hydrogen 3.495 N/A THR 301.A OG1 LEU 298.A O no hydrogen 2.567 N/A LYS 302.A N LEU 298.A O no hydrogen 2.851 N/A ASP 303.A N LYS 299.A O no hydrogen 2.958 N/A SER 308.A N ARG 306.A O no hydrogen 2.748 N/A ALA 313.A N CYS 310.A O no hydrogen 3.188 N/A THR 314.A N CYS 310.A O no hydrogen 3.089 N/A THR 314.A OG1 HIS 311.A O no hydrogen 2.815 N/A VAL 315.A N HIS 311.A O no hydrogen 2.975 N/A ALA 317.A N ALA 313.A O no hydrogen 2.920 N/A ASN 318.A N THR 314.A O no hydrogen 2.903 N/A SER 319.A N VAL 315.A O no hydrogen 2.931 N/A SER 319.A OG ILE 316.A O no hydrogen 2.544 N/A PHE 320.A N ILE 316.A O no hydrogen 2.900 N/A MET 321.A N ALA 317.A O no hydrogen 2.920 N/A HIS 322.A N ASN 318.A O no hydrogen 3.365 N/A HIS 322.A N SER 319.A O no hydrogen 3.197 N/A GLY 324.A N VAL 355.A O no hydrogen 3.423 N/A THR 325.A N HIS 322.A O no hydrogen 3.317 N/A THR 325.A N ILE 356.A O no hydrogen 3.192 N/A THR 325.A OG1 CYS 323.A O no hydrogen 3.446 N/A THR 326.A N ILE 356.A O no hydrogen 2.923 N/A THR 326.A OG1 THR 325.A O no hydrogen 2.570 N/A SER 327.A OG SER 327.A O no hydrogen 2.494 N/A ARG 332.A N GLN 329.A O no hydrogen 3.064 N/A ARG 332.A NH1 LEU 331.A O no hydrogen 3.489 N/A ASP 333.A N GLN 329.A O no hydrogen 3.213 N/A ASN 334.A N ASP 333.A OD1 no hydrogen 2.694 N/A GLU 336.A N GLU 336.A OE1 no hydrogen 2.884 N/A TRP 337.A NE1 ASN 334.A O no hydrogen 2.840 N/A ALA 339.A N GLU 336.A O no hydrogen 3.398 N/A ARG 340.A NH1 HIS 311.A NE2 no hydrogen 3.329 N/A LYS 346.A NZ SER 380.A OG no hydrogen 3.133 N/A PHE 347.A N TRP 344.A O no hydrogen 3.136 N/A THR 348.A N ALA 345.A O no hydrogen 3.106 N/A THR 348.A OG1 TRP 344.A O no hydrogen 3.318 N/A ALA 349.A N ALA 345.A O no hydrogen 2.880 N/A SER 352.A N THR 348.A O no hydrogen 2.888 N/A SER 352.A OG THR 348.A O no hydrogen 3.016 N/A LEU 353.A N ALA 349.A O no hydrogen 2.906 N/A GLY 354.A N THR 350.A O no hydrogen 2.939 N/A VAL 355.A N ALA 351.A O no hydrogen 2.913 N/A ILE 356.A N SER 352.A O no hydrogen 2.944 N/A HIS 357.A N LEU 353.A O no hydrogen 3.253 N/A HIS 357.A NE2 ASP 328.A OD2 no hydrogen 2.931 N/A LYS 358.A NZ SER 725.A O no hydrogen 2.695 N/A GLY 359.A N ILE 394.A O no hydrogen 3.512 N/A LYS 362.A NZ GLU 363.A OE1 no hydrogen 3.458 N/A GLU 363.A N HIS 360.A O no hydrogen 3.263 N/A ALA 369.A N LEU 365.A O no hydrogen 2.921 N/A THR 370.A N GLN 366.A O no hydrogen 2.949 N/A THR 370.A OG1 GLN 366.A O no hydrogen 2.974 N/A THR 376.A N PRO 373.A O no hydrogen 3.381 N/A THR 376.A OG1 PRO 373.A O no hydrogen 3.305 N/A SER 377.A N PRO 373.A O no hydrogen 3.232 N/A GLY 379.A N SER 377.A OG no hydrogen 3.292 N/A ALA 381.A N GLY 379.A O no hydrogen 2.954 N/A TYR 382.A OH ASN 343.A OD1 no hydrogen 2.597 N/A GLN 383.A N SER 380.A O no hydrogen 3.194 N/A GLY 385.A N ALA 381.A O no hydrogen 2.961 N/A GLY 386.A N TYR 382.A O no hydrogen 2.909 N/A GLY 387.A N GLN 383.A O no hydrogen 2.876 N/A LEU 388.A N GLU 384.A O no hydrogen 2.941 N/A TYR 389.A N GLY 385.A O no hydrogen 3.004 N/A ALA 390.A N GLY 386.A O no hydrogen 2.830 N/A LEU 391.A N GLY 387.A O no hydrogen 2.898 N/A GLY 392.A N LEU 388.A O no hydrogen 2.957 N/A LEU 393.A N TYR 389.A O no hydrogen 2.913 N/A ILE 394.A N ALA 390.A O no hydrogen 2.938 N/A ASN 397.A N LEU 428.A O no hydrogen 3.292 N/A TYR 405.A N ASP 401.A O no hydrogen 2.887 N/A LEU 406.A N ILE 402.A O no hydrogen 2.907 N/A LEU 407.A N ILE 403.A O no hydrogen 2.896 N/A ASN 408.A N ASP 404.A O no hydrogen 2.897 N/A GLN 409.A N TYR 405.A O no hydrogen 3.030 N/A LEU 410.A N LEU 406.A O no hydrogen 2.907 N/A LYS 411.A N LEU 407.A O no hydrogen 2.931 N/A LYS 411.A N ASN 408.A O no hydrogen 3.219 N/A SER 414.A OG ASP 416.A OD1 no hydrogen 2.804 N/A ILE 417.A N ASP 416.A OD1 no hydrogen 2.808 N/A ARG 419.A NH2 ALA 413.A O no hydrogen 2.493 N/A HIS 420.A N ILE 417.A O no hydrogen 3.006 N/A HIS 420.A NE2 VAL 452.A O no hydrogen 2.357 N/A GLY 422.A N VAL 418.A O no hydrogen 2.920 N/A SER 423.A N ARG 419.A O no hydrogen 2.870 N/A SER 423.A OG ARG 419.A O no hydrogen 2.777 N/A SER 423.A OG HIS 420.A O no hydrogen 2.972 N/A LEU 424.A N HIS 420.A O no hydrogen 2.974 N/A GLY 425.A N GLY 421.A O no hydrogen 2.838 N/A LEU 426.A N GLY 422.A O no hydrogen 2.922 N/A GLY 427.A N SER 423.A O no hydrogen 2.895 N/A LEU 428.A N LEU 424.A O no hydrogen 2.934 N/A ALA 429.A N GLY 425.A O no hydrogen 2.871 N/A ALA 430.A N LEU 426.A O no hydrogen 2.956 N/A THR 433.A N ALA 430.A O no hydrogen 3.508 N/A ALA 434.A N VAL 464.A O no hydrogen 3.226 N/A ARG 435.A NE ASP 437.A OD1 no hydrogen 3.121 N/A GLN 436.A NE2 ASP 440.A OD1 no hydrogen 3.532 N/A ASP 440.A N GLN 436.A O no hydrogen 2.889 N/A LEU 441.A N ASP 437.A O no hydrogen 2.950 N/A LEU 442.A N VAL 438.A O no hydrogen 2.914 N/A LYS 443.A N TYR 439.A O no hydrogen 2.909 N/A LYS 443.A NZ ASP 476.A OD2 no hydrogen 3.567 N/A THR 444.A N ASP 440.A O no hydrogen 2.908 N/A ASN 445.A N LEU 441.A O no hydrogen 2.914 N/A LEU 446.A N LEU 442.A O no hydrogen 2.862 N/A TYR 447.A N LYS 443.A O no hydrogen 2.927 N/A GLN 448.A NE2 THR 444.A O no hydrogen 2.425 N/A ASP 449.A N LEU 446.A O no hydrogen 3.482 N/A THR 453.A OG1 THR 453.A O no hydrogen 2.504 N/A ALA 457.A N THR 453.A O no hydrogen 3.120 N/A GLY 458.A N GLY 454.A O no hydrogen 2.938 N/A LEU 459.A N GLU 455.A O no hydrogen 2.969 N/A ALA 460.A N ALA 456.A O no hydrogen 2.944 N/A LEU 461.A N ALA 457.A O no hydrogen 2.888 N/A GLY 462.A N GLY 458.A O no hydrogen 2.982 N/A LEU 463.A N LEU 459.A O no hydrogen 2.883 N/A VAL 464.A N ALA 460.A O no hydrogen 2.954 N/A LEU 466.A N LEU 463.A O no hydrogen 3.331 N/A GLY 467.A N VAL 500.A O no hydrogen 3.299 N/A SER 468.A OG MET 465.A O no hydrogen 3.188 N/A GLN 472.A N ASN 470.A OD1 no hydrogen 3.213 N/A ILE 474.A N ASN 470.A O no hydrogen 3.170 N/A GLU 475.A N ALA 471.A O no hydrogen 2.930 N/A ASP 476.A N GLN 472.A O no hydrogen 2.907 N/A MET 477.A N ALA 473.A O no hydrogen 2.951 N/A VAL 478.A N ILE 474.A O no hydrogen 2.929 N/A GLY 479.A N GLU 475.A O no hydrogen 2.908 N/A TYR 480.A N ASP 476.A O no hydrogen 2.885 N/A TYR 480.A OH ASP 449.A OD1 no hydrogen 2.256 N/A ALA 481.A N MET 477.A O no hydrogen 2.973 N/A GLN 482.A NE2 VAL 478.A O no hydrogen 2.994 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.701 N/A HIS 486.A NE2 ASP 449.A O no hydrogen 3.192 N/A ARG 491.A N GLU 487.A O no hydrogen 3.262 N/A GLY 492.A N LYS 488.A O no hydrogen 3.004 N/A LEU 493.A N ILE 489.A O no hydrogen 2.939 N/A ALA 494.A N LEU 490.A O no hydrogen 2.821 N/A VAL 495.A N ARG 491.A O no hydrogen 3.028 N/A GLY 496.A N GLY 492.A O no hydrogen 2.957 N/A ILE 497.A N LEU 493.A O no hydrogen 2.891 N/A ALA 498.A N ALA 494.A O no hydrogen 2.942 N/A LEU 499.A N VAL 495.A O no hydrogen 2.927 N/A TYR 502.A OH THR 700.A OG1 no hydrogen 3.430 N/A ILE 512.A N ALA 508.A O no hydrogen 2.577 N/A GLU 513.A N ASP 509.A O no hydrogen 2.910 N/A SER 514.A N ALA 510.A O no hydrogen 2.923 N/A LEU 515.A N LEU 511.A O no hydrogen 2.897 N/A CYS 516.A N ILE 512.A O no hydrogen 2.922 N/A ASP 518.A N LEU 515.A O no hydrogen 3.401 N/A ARG 524.A N ASP 520.A O no hydrogen 2.921 N/A ARG 524.A NH1 ASP 554.A OD2 no hydrogen 3.244 N/A ARG 524.A NH2 LYS 519.A O no hydrogen 3.491 N/A ARG 525.A N PRO 521.A O no hydrogen 2.932 N/A ARG 525.A NH2 TYR 529.A OH no hydrogen 2.924 N/A SER 526.A N ILE 522.A O no hydrogen 2.936 N/A SER 526.A OG ALA 494.A O no hydrogen 2.833 N/A GLY 527.A N LEU 523.A O no hydrogen 2.916 N/A MET 528.A N ARG 524.A O no hydrogen 2.964 N/A TYR 529.A N ARG 525.A O no hydrogen 2.884 N/A THR 530.A N SER 526.A O no hydrogen 2.894 N/A THR 530.A OG1 SER 526.A O no hydrogen 2.579 N/A VAL 531.A N GLY 527.A O no hydrogen 2.921 N/A ALA 532.A N MET 528.A O no hydrogen 2.958 N/A MET 533.A N TYR 529.A O no hydrogen 2.902 N/A ALA 534.A N THR 530.A O no hydrogen 2.889 N/A CYS 536.A SG ALA 532.A O no hydrogen 3.850 N/A CYS 536.A SG MET 533.A O no hydrogen 3.264 N/A GLY 537.A N PHE 569.A O no hydrogen 3.042 N/A SER 538.A N TYR 535.A O no hydrogen 3.375 N/A LYS 542.A NZ ASP 509.A OD1 no hydrogen 3.427 N/A LYS 542.A NZ TYR 535.A OH no hydrogen 2.390 N/A ILE 544.A N ASN 540.A O no hydrogen 3.194 N/A ARG 545.A N ASN 541.A O no hydrogen 2.872 N/A ARG 546.A N LYS 542.A O no hydrogen 2.928 N/A LEU 547.A N ALA 543.A O no hydrogen 2.948 N/A LEU 548.A N ILE 544.A O no hydrogen 2.889 N/A HIS 549.A N ARG 545.A O no hydrogen 2.899 N/A VAL 550.A N ARG 546.A O no hydrogen 2.987 N/A ALA 551.A N LEU 547.A O no hydrogen 2.938 N/A VAL 552.A N LEU 548.A O no hydrogen 3.021 N/A VAL 552.A N HIS 549.A O no hydrogen 2.981 N/A SER 553.A N HIS 549.A O no hydrogen 3.105 N/A SER 553.A OG HIS 549.A O no hydrogen 3.371 N/A VAL 555.A N ASP 554.A OD1 no hydrogen 2.634 N/A ASN 556.A N ASP 554.A OD1 no hydrogen 3.475 N/A ASP 558.A N ASN 556.A OD1 no hydrogen 3.410 N/A ARG 560.A NH1 ASP 554.A O no hydrogen 2.439 N/A ARG 561.A N ASP 557.A O no hydrogen 2.900 N/A ARG 561.A NE ASP 558.A OD1 no hydrogen 3.352 N/A ARG 561.A NE HIS 592.A ND1 no hydrogen 3.396 N/A ARG 561.A NH2 ASP 558.A OD1 no hydrogen 2.743 N/A ALA 562.A N ASP 558.A O no hydrogen 2.958 N/A ALA 563.A N VAL 559.A O no hydrogen 2.893 N/A VAL 564.A N ARG 560.A O no hydrogen 2.944 N/A GLU 565.A N ARG 561.A O no hydrogen 2.921 N/A SER 566.A N ALA 562.A O no hydrogen 2.944 N/A SER 566.A OG ALA 562.A O no hydrogen 2.305 N/A LEU 567.A N VAL 564.A O no hydrogen 3.504 N/A GLY 568.A N GLU 565.A O no hydrogen 3.490 N/A ILE 570.A N LEU 567.A O no hydrogen 3.329 N/A ARG 573.A NH2 GLN 694.A OE1 no hydrogen 2.445 N/A THR 574.A N LEU 571.A O no hydrogen 3.218 N/A GLN 577.A N THR 574.A O no hydrogen 3.142 N/A SER 580.A OG GLN 577.A O no hydrogen 2.519 N/A VAL 581.A N CYS 578.A O no hydrogen 2.935 N/A VAL 582.A N CYS 578.A O no hydrogen 2.952 N/A SER 586.A N SER 583.A O no hydrogen 3.067 N/A SER 586.A OG SER 583.A O no hydrogen 2.475 N/A GLU 587.A N LEU 584.A O no hydrogen 3.199 N/A SER 588.A OG LEU 585.A O no hydrogen 3.552 N/A SER 588.A OG ASN 590.A O no hydrogen 3.020 N/A SER 588.A OG ASN 590.A OD1 no hydrogen 3.350 N/A ASN 590.A ND2 ASP 557.A OD1 no hydrogen 2.948 N/A ARG 594.A NE ASP 623.A OD2 no hydrogen 3.121 N/A ARG 594.A NH1 SER 588.A O no hydrogen 2.502 N/A ARG 594.A NH1 TYR 589.A O no hydrogen 3.039 N/A ARG 594.A NH2 ASP 623.A OD2 no hydrogen 3.462 N/A TYR 595.A N PRO 591.A O no hydrogen 2.944 N/A GLY 596.A N HIS 592.A O no hydrogen 2.954 N/A ALA 597.A N VAL 593.A O no hydrogen 2.855 N/A ALA 598.A N ARG 594.A O no hydrogen 2.943 N/A MET 599.A N TYR 595.A O no hydrogen 2.988 N/A ALA 600.A N GLY 596.A O no hydrogen 2.885 N/A LEU 601.A N ALA 597.A O no hydrogen 2.942 N/A GLY 602.A N ALA 598.A O no hydrogen 2.945 N/A ILE 603.A N MET 599.A O no hydrogen 2.916 N/A CYS 604.A N ALA 600.A O no hydrogen 2.928 N/A CYS 604.A SG LEU 571.A O no hydrogen 3.958 N/A CYS 605.A N LEU 601.A O no hydrogen 3.412 N/A CYS 605.A SG PRO 575.A O no hydrogen 3.413 N/A LYS 611.A NZ THR 647.A O no hydrogen 2.322 N/A LEU 616.A N GLU 612.A O no hydrogen 3.092 N/A LEU 617.A N ALA 613.A O no hydrogen 2.858 N/A GLU 618.A N ILE 614.A O no hydrogen 2.917 N/A VAL 625.A N ASP 623.A O no hydrogen 2.856 N/A ARG 629.A N VAL 625.A O no hydrogen 3.417 N/A ARG 629.A NE ASP 623.A O no hydrogen 3.217 N/A ARG 629.A NH2 ASN 626.A OD1 no hydrogen 2.897 N/A GLN 630.A N ASN 626.A O no hydrogen 2.971 N/A GLN 630.A NE2 TYR 627.A O no hydrogen 3.072 N/A GLY 631.A N TYR 627.A O no hydrogen 2.906 N/A ALA 632.A N VAL 628.A O no hydrogen 2.885 N/A LEU 633.A N ARG 629.A O no hydrogen 2.959 N/A ILE 634.A N GLN 630.A O no hydrogen 2.920 N/A ALA 635.A N GLY 631.A O no hydrogen 2.901 N/A SER 636.A N ALA 632.A O no hydrogen 2.898 N/A SER 636.A OG TYR 658.A OH no hydrogen 2.919 N/A ALA 637.A N LEU 633.A O no hydrogen 2.900 N/A LEU 638.A N ILE 634.A O no hydrogen 2.900 N/A ILE 639.A N ALA 635.A O no hydrogen 2.964 N/A MET 640.A N SER 636.A O no hydrogen 2.926 N/A THR 644.A OG1 THR 755.A O no hydrogen 3.558 N/A THR 647.A OG1 THR 644.A O no hydrogen 2.460 N/A CYS 648.A SG GLN 643.A OE1 no hydrogen 3.240 N/A PHE 654.A N LYS 650.A O no hydrogen 2.944 N/A ARG 655.A N VAL 651.A O no hydrogen 2.939 N/A GLN 656.A N ASN 652.A O no hydrogen 2.914 N/A LEU 657.A N GLN 653.A O no hydrogen 2.909 N/A TYR 658.A N PHE 654.A O no hydrogen 2.903 N/A SER 659.A N ARG 655.A O no hydrogen 2.986 N/A SER 659.A OG ARG 655.A O no hydrogen 2.893 N/A LYS 660.A N GLN 656.A O no hydrogen 2.869 N/A VAL 661.A N LEU 657.A O no hydrogen 2.935 N/A ILE 662.A N TYR 658.A O no hydrogen 2.963 N/A ASN 663.A N SER 659.A O no hydrogen 2.939 N/A HIS 666.A N ASP 664.A OD1 no hydrogen 2.919 N/A LYS 672.A N ASP 668.A O no hydrogen 3.412 N/A LYS 672.A NZ ASP 664.A O no hydrogen 3.388 N/A LYS 672.A NZ ASP 667.A O no hydrogen 2.831 N/A PHE 673.A N VAL 669.A O no hydrogen 2.895 N/A GLY 674.A N MET 670.A O no hydrogen 2.931 N/A ALA 675.A N ALA 671.A O no hydrogen 2.912 N/A ILE 676.A N LYS 672.A O no hydrogen 2.929 N/A LEU 677.A N PHE 673.A O no hydrogen 3.013 N/A ALA 678.A N GLY 674.A O no hydrogen 2.884 N/A GLN 679.A N ALA 675.A O no hydrogen 2.926 N/A GLY 680.A N ILE 676.A O no hydrogen 2.954 N/A ILE 681.A N LEU 677.A O no hydrogen 2.900 N/A ILE 681.A N ALA 678.A O no hydrogen 2.940 N/A LEU 682.A N ALA 678.A O no hydrogen 2.959 N/A ALA 684.A N ILE 681.A O no hydrogen 3.118 N/A GLY 685.A N PHE 320.A O no hydrogen 3.148 N/A HIS 687.A N ALA 684.A O no hydrogen 3.265 N/A HIS 687.A ND1 ASN 292.A O no hydrogen 2.900 N/A HIS 687.A NE2 ASP 683.A OD1 no hydrogen 2.881 N/A ASN 688.A ND2 ASN 290.A O no hydrogen 2.940 N/A ASN 688.A ND2 GLY 685.A O no hydrogen 3.375 N/A THR 690.A N THR 729.A O no hydrogen 2.581 N/A SER 692.A OG GLN 694.A O no hydrogen 2.989 N/A GLN 694.A NE2 GLY 698.A O no hydrogen 2.583 N/A SER 695.A N HIS 699.A O no hydrogen 2.798 N/A SER 695.A OG HIS 699.A O no hydrogen 2.550 N/A ARG 696.A NH1 ASP 245.A OD1 no hydrogen 3.475 N/A ARG 696.A NH2 ILE 853.A O no hydrogen 3.076 N/A THR 697.A OG1 GLN 212.A OE1 no hydrogen 3.432 N/A THR 697.A OG1 SER 249.A OG no hydrogen 3.321 N/A THR 700.A OG1 TYR 502.A OH no hydrogen 3.430 N/A HIS 701.A N LEU 693.A O no hydrogen 3.107 N/A SER 704.A N HIS 701.A ND1 no hydrogen 3.054 N/A SER 704.A OG SER 692.A O no hydrogen 2.990 N/A VAL 705.A N HIS 701.A O no hydrogen 3.250 N/A VAL 706.A N MET 702.A O no hydrogen 2.939 N/A GLY 707.A N PRO 703.A O no hydrogen 2.884 N/A THR 712.A OG1 GLN 713.A OE1 no hydrogen 2.657 N/A SER 721.A N PHE 718.A O no hydrogen 3.008 N/A SER 721.A OG PHE 718.A O no hydrogen 2.775 N/A PHE 723.A N LEU 720.A O no hydrogen 3.412 N/A SER 725.A N HIS 722.A O no hydrogen 3.169 N/A SER 725.A OG HIS 722.A O no hydrogen 3.289 N/A LEU 726.A N PHE 723.A O no hydrogen 3.256 N/A ALA 727.A N LEU 724.A O no hydrogen 3.111 N/A THR 729.A N THR 690.A O no hydrogen 2.677 N/A THR 729.A OG1 THR 690.A O no hydrogen 2.773 N/A THR 731.A N ASN 688.A O no hydrogen 2.715 N/A THR 731.A OG1 ASN 688.A O no hydrogen 3.041 N/A THR 731.A OG1 THR 731.A O no hydrogen 2.593 N/A LEU 736.A N ILE 734.A O no hydrogen 3.053 N/A LEU 736.A N ILE 857.A O no hydrogen 3.272 N/A LYS 738.A N ASN 737.A OD1 no hydrogen 2.742 N/A LEU 740.A N ASP 739.A OD1 no hydrogen 2.789 N/A LYS 744.A N GLU 868.A O no hydrogen 2.876 N/A VAL 745.A N PRO 743.A O no hydrogen 2.932 N/A VAL 745.A N ASN 825.A OD1 no hydrogen 2.818 N/A TYR 747.A N LEU 823.A O no hydrogen 2.955 N/A TYR 747.A OH ASP 824.A O no hydrogen 2.737 N/A SER 749.A OG VAL 836.A O no hydrogen 2.479 N/A ASN 750.A N VAL 836.A O no hydrogen 3.114 N/A CYS 751.A SG SER 749.A OG no hydrogen 2.766 N/A CYS 751.A SG VAL 836.A O no hydrogen 3.470 N/A SER 754.A N CYS 751.A O no hydrogen 3.343 N/A THR 781.A OG1 VAL 777.A O no hydrogen 3.301 N/A LYS 783.A N ILE 780.A O no hydrogen 3.254 N/A ALA 784.A N ILE 780.A O no hydrogen 2.901 N/A LYS 785.A N THR 781.A O no hydrogen 2.862 N/A LYS 786.A NZ GLU 790.A OE2 no hydrogen 2.604 N/A LYS 787.A N LYS 783.A O no hydrogen 2.920 N/A GLU 788.A N ALA 784.A O no hydrogen 2.876 N/A LYS 789.A N LYS 785.A O no hydrogen 2.878 N/A GLU 790.A N LYS 786.A O no hydrogen 2.924 N/A LYS 791.A N LYS 787.A O no hydrogen 2.898 N/A LYS 791.A N GLU 788.A O no hydrogen 3.303 N/A GLU 792.A N GLU 788.A O no hydrogen 2.916 N/A GLU 792.A N LYS 789.A O no hydrogen 3.291 N/A LYS 793.A N LYS 789.A O no hydrogen 2.839 N/A LYS 793.A NZ GLU 796.A OE2 no hydrogen 3.534 N/A LYS 794.A N LYS 789.A O no hydrogen 3.223 N/A GLU 796.A N LYS 793.A O no hydrogen 2.733 N/A LYS 798.A NZ LYS 794.A O no hydrogen 3.217 N/A LYS 798.A NZ GLU 795.A O no hydrogen 3.189 N/A LYS 806.A N GLU 805.A OE2 no hydrogen 3.137 N/A LYS 810.A NZ GLU 811.A OE1 no hydrogen 3.539 N/A LYS 812.A N LYS 810.A O no hydrogen 3.081 N/A LYS 813.A NZ PRO 816.A O no hydrogen 3.470 N/A ASN 819.A ND2 CYS 751.A O no hydrogen 2.332 N/A ASN 819.A ND2 LYS 752.A O no hydrogen 3.458 N/A ASN 819.A ND2 SER 754.A O no hydrogen 2.518 N/A GLN 821.A NE2 PRO 816.A O no hydrogen 2.477 N/A LEU 823.A N TYR 747.A O no hydrogen 2.480 N/A ARG 828.A NE HIS 687.A O no hydrogen 2.409 N/A VAL 829.A N THR 731.A O no hydrogen 3.148 N/A GLN 833.A N MET 830.A O no hydrogen 2.851 N/A LEU 834.A N PRO 831.A O no hydrogen 3.324 N/A THR 838.A N LYS 748.A O no hydrogen 2.672 N/A CYS 843.A N PRO 840.A O no hydrogen 3.051 N/A SER 852.A OG LEU 834.A O no hydrogen 3.359 N/A SER 852.A OG LYS 835.A O no hydrogen 3.513 N/A ILE 857.A N ILE 734.A O no hydrogen 3.240 N/A ILE 858.A N GLN 241.A OE1 no hydrogen 2.784 N/A LYS 860.A N GLN 846.A O no hydrogen 2.656 N/A THR 862.A OG1 SER 863.A O no hydrogen 3.182 N/A VAL 870.A N MET 742.A O no hydrogen 2.974 N/A