Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 7.A N ASP 10.A OD2 no hydrogen 3.472 N/A GLU 9.A N THR 7.A OG1 no hydrogen 3.360 N/A SER 11.A N ALA 8.A O no hydrogen 3.444 N/A SER 11.A OG ALA 8.A O no hydrogen 2.340 N/A ALA 13.A N ASP 10.A O no hydrogen 2.974 N/A ILE 15.A N SER 11.A O no hydrogen 3.126 N/A SER 16.A N TRP 12.A O no hydrogen 2.705 N/A SER 16.A OG TRP 12.A O no hydrogen 3.074 N/A SER 16.A OG TYR 723.A OH no hydrogen 2.365 N/A ALA 17.A N ALA 13.A O no hydrogen 2.829 N/A PHE 18.A N VAL 14.A O no hydrogen 3.005 N/A PHE 18.A N ILE 15.A O no hydrogen 2.960 N/A PHE 19.A N ILE 15.A O no hydrogen 3.323 N/A ARG 20.A NH2 SER 16.A O no hydrogen 3.160 N/A GLU 21.A N PHE 18.A O no hydrogen 2.955 N/A LYS 22.A N PHE 18.A O no hydrogen 3.047 N/A LYS 22.A NZ TYR 610.A OH no hydrogen 2.971 N/A GLY 23.A N PHE 19.A O no hydrogen 2.783 N/A GLN 27.A NE2 LEU 429.A O no hydrogen 3.512 N/A GLN 28.A NE2 GLY 149.A O no hydrogen 2.535 N/A LEU 29.A N VAL 25.A O no hydrogen 3.366 N/A ASP 30.A N SER 26.A O no hydrogen 2.898 N/A SER 31.A N GLN 27.A O no hydrogen 2.955 N/A PHE 32.A N GLN 28.A O no hydrogen 2.953 N/A ASN 33.A N LEU 29.A O no hydrogen 2.849 N/A GLN 34.A N ASP 30.A O no hydrogen 2.997 N/A VAL 36.A N PHE 32.A O no hydrogen 2.936 N/A ASP 37.A N ASN 33.A O no hydrogen 2.934 N/A TYR 38.A N GLN 34.A O no hydrogen 3.025 N/A THR 39.A N GLN 34.A O no hydrogen 3.130 N/A LEU 40.A N PHE 35.A O no hydrogen 2.770 N/A GLN 41.A NE2 GLN 41.A O no hydrogen 3.366 N/A GLN 41.A NE2 GLY 64.A O no hydrogen 3.111 N/A ASP 42.A N TYR 38.A O no hydrogen 3.369 N/A ILE 43.A N THR 39.A O no hydrogen 2.952 N/A CYS 45.A N GLN 41.A O no hydrogen 3.110 N/A CYS 45.A SG PHE 63.A O no hydrogen 4.004 N/A SER 48.A OG ILE 44.A O no hydrogen 2.732 N/A LEU 50.A N ILE 61.A O no hydrogen 2.931 N/A LEU 52.A N TYR 59.A O no hydrogen 2.911 N/A TYR 59.A N LEU 52.A O no hydrogen 2.887 N/A GLU 60.A N ARG 106.A O no hydrogen 2.923 N/A ILE 61.A N LEU 50.A O no hydrogen 2.914 N/A SER 62.A N LYS 104.A O no hydrogen 2.980 N/A GLY 64.A N ASP 102.A O no hydrogen 2.646 N/A ILE 66.A N GLN 41.A OE1 no hydrogen 2.922 N/A TYR 67.A N PHE 100.A O no hydrogen 2.815 N/A TYR 67.A OH ASP 102.A OD1 no hydrogen 2.899 N/A THR 69.A N GLY 98.A O no hydrogen 3.000 N/A THR 69.A OG1 GLY 98.A O no hydrogen 2.872 N/A VAL 73.A N HIS 81.A O no hydrogen 2.920 N/A THR 80.A OG1 ASN 74.A OD1 no hydrogen 2.353 N/A HIS 81.A N VAL 73.A O no hydrogen 2.944 N/A LEU 83.A N PRO 71.A O no hydrogen 2.994 N/A GLN 86.A NE2 LYS 141.A O no hydrogen 3.006 N/A ALA 88.A N TYR 84.A O no hydrogen 3.112 N/A ARG 89.A N PRO 85.A O no hydrogen 2.925 N/A ARG 89.A NH2 GLU 142.A OE2 no hydrogen 3.139 N/A LEU 90.A N GLN 86.A O no hydrogen 2.958 N/A ARG 91.A N GLU 87.A O no hydrogen 2.959 N/A ARG 91.A NE THR 858.A O no hydrogen 2.712 N/A ARG 91.A NH1 GLU 75.A OE1 no hydrogen 2.497 N/A ARG 91.A NH1 GLU 87.A OE2 no hydrogen 3.314 N/A ARG 91.A NH2 GLU 75.A OE1 no hydrogen 3.153 N/A ARG 91.A NH2 GLU 75.A OE2 no hydrogen 3.133 N/A ARG 91.A NH2 THR 858.A O no hydrogen 2.719 N/A LEU 93.A N ALA 88.A O no hydrogen 2.823 N/A TYR 95.A N ILE 152.A O no hydrogen 2.940 N/A SER 96.A OG THR 94.A O no hydrogen 3.042 N/A SER 97.A N LEU 118.A O no hydrogen 2.935 N/A SER 97.A OG THR 69.A O no hydrogen 3.254 N/A LEU 99.A N GLY 116.A O no hydrogen 2.919 N/A PHE 100.A N TYR 67.A O no hydrogen 2.964 N/A VAL 101.A N VAL 113.A O no hydrogen 3.085 N/A ASP 102.A N LYS 65.A O no hydrogen 3.205 N/A LYS 104.A N SER 62.A O no hydrogen 2.929 N/A ARG 106.A N GLU 60.A O no hydrogen 2.879 N/A VAL 113.A N VAL 101.A O no hydrogen 2.923 N/A ILE 115.A N LEU 99.A O no hydrogen 2.951 N/A ARG 117.A N THR 388.A OG1 no hydrogen 3.203 N/A LEU 118.A N SER 97.A O no hydrogen 2.893 N/A ILE 120.A N TYR 95.A O no hydrogen 3.058 N/A LEU 122.A N TYR 150.A O no hydrogen 2.943 N/A SER 124.A N MET 121.A O no hydrogen 3.380 N/A SER 124.A OG ASN 33.A OD1 no hydrogen 2.789 N/A LYS 125.A N ASN 33.A OD1 no hydrogen 3.247 N/A LYS 125.A NZ ASP 37.A OD2 no hydrogen 2.396 N/A CYS 127.A SG TYR 95.A OH no hydrogen 2.748 N/A TYR 128.A N TYR 95.A OH no hydrogen 3.333 N/A TYR 128.A OH PRO 71.A O no hydrogen 2.818 N/A SER 130.A N CYS 127.A O no hydrogen 3.479 N/A SER 130.A OG LYS 125.A O no hydrogen 3.255 N/A SER 130.A OG CYS 127.A O no hydrogen 2.643 N/A THR 133.A OG1 SER 135.A OG no hydrogen 3.066 N/A THR 133.A OG1 ASP 136.A OD1 no hydrogen 2.253 N/A SER 135.A OG THR 133.A OG1 no hydrogen 3.066 N/A ASP 136.A N THR 133.A OG1 no hydrogen 3.320 N/A LEU 137.A N THR 133.A O no hydrogen 2.772 N/A TYR 138.A N GLU 134.A O no hydrogen 2.953 N/A LYS 139.A N SER 135.A O no hydrogen 2.928 N/A LEU 140.A N ASP 136.A O no hydrogen 2.907 N/A LYS 141.A N TYR 138.A O no hydrogen 3.257 N/A GLU 142.A N LEU 137.A O no hydrogen 2.789 N/A CYS 143.A SG THR 695.A OG1 no hydrogen 2.619 N/A ASP 146.A N CYS 143.A O no hydrogen 3.200 N/A MET 147.A N ASP 146.A OD1 no hydrogen 2.809 N/A GLY 149.A N LEU 122.A O no hydrogen 3.248 N/A TYR 150.A OH ASP 146.A OD1 no hydrogen 3.331 N/A TYR 150.A OH ASP 146.A OD2 no hydrogen 2.281 N/A PHE 151.A N LYS 158.A O no hydrogen 2.868 N/A ILE 153.A N SER 156.A O no hydrogen 2.934 N/A GLY 155.A N LEU 93.A O no hydrogen 3.028 N/A SER 156.A N ILE 153.A O no hydrogen 2.919 N/A SER 156.A OG ILE 153.A O no hydrogen 2.786 N/A LYS 158.A N PHE 151.A O no hydrogen 2.825 N/A LYS 158.A NZ SER 156.A OG no hydrogen 2.491 N/A VAL 159.A N GLN 415.A O no hydrogen 2.814 N/A ILE 161.A N VAL 413.A O no hydrogen 3.032 N/A ALA 162.A N ARG 431.A O no hydrogen 3.049 N/A GLN 163.A N ASP 348.A O no hydrogen 2.908 N/A GLN 163.A NE2 ILE 161.A O no hydrogen 2.407 N/A GLU 164.A N ASN 433.A O no hydrogen 2.831 N/A ARG 165.A N ARG 346.A O no hydrogen 2.948 N/A ALA 167.A N LYS 344.A O no hydrogen 2.528 N/A ASN 169.A N ARG 189.A O no hydrogen 2.436 N/A ASN 169.A ND2 ALA 191.A O no hydrogen 2.671 N/A GLN 172.A N GLU 187.A O no hydrogen 2.930 N/A VAL 173.A N ASP 337.A OD2 no hydrogen 3.101 N/A PHE 174.A N VAL 185.A O no hydrogen 2.870 N/A LYS 175.A N GLN 336.A OE1 no hydrogen 2.561 N/A LYS 176.A N SER 183.A O no hydrogen 2.618 N/A SER 180.A N ALA 177.A O no hydrogen 3.393 N/A SER 180.A OG ALA 177.A O no hydrogen 2.392 N/A SER 180.A OG ILE 182.A O no hydrogen 2.860 N/A SER 183.A N LEU 206.A O no hydrogen 2.904 N/A SER 183.A OG HIS 184.A ND1 no hydrogen 2.421 N/A HIS 184.A ND1 SER 183.A OG no hydrogen 2.421 N/A VAL 185.A N PHE 174.A O no hydrogen 2.957 N/A ALA 186.A N VAL 204.A O no hydrogen 2.934 N/A GLU 187.A N GLN 172.A O no hydrogen 2.885 N/A ILE 188.A N LEU 202.A O no hydrogen 3.406 N/A SER 190.A N SER 200.A O no hydrogen 3.209 N/A SER 190.A OG SER 200.A O no hydrogen 2.580 N/A SER 190.A OG SER 200.A OG no hydrogen 2.360 N/A ALA 191.A N ASN 169.A OD1 no hydrogen 2.616 N/A LYS 194.A NZ GLU 193.A OE1 no hydrogen 2.636 N/A SER 200.A N SER 190.A O no hydrogen 3.514 N/A SER 200.A OG SER 190.A OG no hydrogen 2.360 N/A LEU 202.A N ILE 188.A O no hydrogen 3.522 N/A VAL 204.A N ALA 186.A O no hydrogen 3.007 N/A LYS 205.A N LYS 218.A O no hydrogen 2.863 N/A LYS 205.A NZ ASP 227.A OD1 no hydrogen 2.623 N/A LEU 206.A N HIS 184.A O no hydrogen 2.955 N/A TYR 207.A N THR 216.A O no hydrogen 2.965 N/A TYR 207.A OH ASP 227.A OD2 no hydrogen 2.468 N/A ARG 209.A NH1 ALA 177.A O no hydrogen 2.711 N/A ARG 209.A NH1 SER 180.A O no hydrogen 2.351 N/A ARG 209.A NH2 ALA 177.A O no hydrogen 3.121 N/A SER 212.A N ARG 209.A O no hydrogen 3.000 N/A SER 212.A OG SER 213.A O no hydrogen 2.917 N/A ARG 215.A NH1 GLY 208.A O no hydrogen 2.398 N/A THR 216.A N ALA 214.A O no hydrogen 2.812 N/A THR 216.A OG1 ASP 268.A OD2 no hydrogen 3.280 N/A LYS 218.A N LYS 205.A O no hydrogen 2.986 N/A ALA 219.A N ILE 228.A O no hydrogen 2.888 N/A THR 220.A N GLN 203.A O no hydrogen 2.932 N/A ILE 224.A N LEU 221.A O no hydrogen 3.144 N/A LYS 225.A NZ TYR 223.A O no hydrogen 3.081 N/A ILE 228.A N ALA 219.A O no hydrogen 2.922 N/A ILE 233.A N PRO 229.A O no hydrogen 3.303 N/A PHE 234.A N ILE 230.A O no hydrogen 2.882 N/A ARG 235.A N VAL 231.A O no hydrogen 2.943 N/A ARG 235.A NE ILE 240.A O no hydrogen 2.773 N/A ALA 236.A N ILE 232.A O no hydrogen 2.885 N/A LEU 237.A N ILE 233.A O no hydrogen 2.884 N/A GLY 238.A N ARG 235.A O no hydrogen 3.056 N/A ILE 239.A N PHE 234.A O no hydrogen 2.787 N/A ILE 245.A N PRO 241.A O no hydrogen 3.232 N/A LEU 246.A N ASP 242.A O no hydrogen 2.955 N/A GLU 247.A N GLY 243.A O no hydrogen 2.879 N/A HIS 248.A N GLU 244.A O no hydrogen 2.931 N/A ILE 249.A N ILE 245.A O no hydrogen 2.971 N/A CYS 250.A N LEU 246.A O no hydrogen 2.572 N/A CYS 250.A SG ASP 252.A O no hydrogen 3.186 N/A TYR 251.A OH HIS 248.A O no hydrogen 2.733 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 2.993 N/A ASP 255.A N ASP 252.A O no hydrogen 3.324 N/A MET 258.A N ASP 255.A OD1 no hydrogen 3.115 N/A GLU 260.A N TRP 256.A O no hydrogen 2.887 N/A MET 261.A N GLN 257.A O no hydrogen 2.936 N/A LEU 262.A N MET 258.A O no hydrogen 2.927 N/A LYS 263.A N GLU 260.A O no hydrogen 3.307 N/A CYS 265.A SG LEU 262.A O no hydrogen 3.191 N/A VAL 266.A N LEU 262.A O no hydrogen 3.343 N/A GLU 267.A N LYS 263.A O no hydrogen 3.504 N/A ASP 268.A N PRO 264.A O no hydrogen 2.904 N/A GLY 269.A N CYS 265.A O no hydrogen 2.944 N/A PHE 270.A N GLU 267.A O no hydrogen 3.404 N/A ARG 275.A NE ALA 236.A O no hydrogen 2.989 N/A THR 277.A OG1 ASP 274.A O no hydrogen 3.275 N/A THR 277.A OG1 ASP 274.A OD1 no hydrogen 2.270 N/A ALA 278.A N ASP 274.A O no hydrogen 2.807 N/A LEU 279.A N ARG 275.A O no hydrogen 2.949 N/A ASP 280.A N THR 277.A O no hydrogen 3.241 N/A PHE 281.A N THR 277.A O no hydrogen 3.479 N/A ARG 289.A N LYS 286.A O no hydrogen 3.412 N/A ARG 289.A NH2 ASP 280.A OD1 no hydrogen 2.449 N/A GLN 291.A N GLU 287.A O no hydrogen 3.456 N/A TYR 292.A N LYS 288.A O no hydrogen 2.901 N/A ALA 293.A N ARG 289.A O no hydrogen 2.888 N/A LYS 294.A N ILE 290.A O no hydrogen 2.876 N/A ASP 295.A N GLN 291.A O no hydrogen 2.923 N/A ILE 296.A N TYR 292.A O no hydrogen 2.951 N/A LEU 297.A N ALA 293.A O no hydrogen 2.902 N/A GLN 298.A N LYS 294.A O no hydrogen 2.939 N/A GLN 298.A NE2 GLN 307.A O no hydrogen 3.068 N/A LYS 299.A N ASP 295.A O no hydrogen 2.900 N/A GLU 300.A N ILE 296.A O no hydrogen 3.045 N/A PHE 301.A N ILE 296.A O no hydrogen 2.922 N/A ILE 305.A N LEU 302.A O no hydrogen 3.227 N/A GLN 307.A NE2 LYS 299.A O no hydrogen 3.275 N/A ARG 314.A N PHE 311.A O no hydrogen 3.109 N/A ARG 314.A NE GLU 495.A OE1 no hydrogen 2.812 N/A LYS 315.A N PHE 311.A O no hydrogen 3.425 N/A LYS 315.A NZ LEU 297.A O no hydrogen 2.776 N/A LYS 315.A NZ GLN 298.A O no hydrogen 3.099 N/A LYS 315.A NZ PHE 301.A O no hydrogen 3.253 N/A LYS 315.A NZ THR 306.A O no hydrogen 3.288 N/A ALA 316.A N GLU 312.A O no hydrogen 2.925 N/A PHE 317.A N SER 313.A O no hydrogen 3.403 N/A PHE 318.A N ARG 314.A O no hydrogen 2.949 N/A LEU 319.A N LYS 315.A O no hydrogen 2.893 N/A GLY 320.A N ALA 316.A O no hydrogen 2.877 N/A TYR 321.A N PHE 317.A O no hydrogen 2.896 N/A TYR 321.A OH GLU 551.A OE2 no hydrogen 2.345 N/A MET 322.A N PHE 318.A O no hydrogen 2.933 N/A ILE 323.A N LEU 319.A O no hydrogen 2.923 N/A ASN 324.A N GLY 320.A O no hydrogen 2.877 N/A ASN 324.A ND2 ILE 249.A O no hydrogen 3.250 N/A ARG 325.A N TYR 321.A O no hydrogen 2.948 N/A LEU 326.A N MET 322.A O no hydrogen 2.914 N/A LEU 327.A N ILE 323.A O no hydrogen 2.886 N/A LEU 328.A N ASN 324.A O no hydrogen 2.887 N/A CYS 329.A N ARG 325.A O no hydrogen 2.991 N/A CYS 329.A SG LYS 334.A O no hydrogen 3.921 N/A ALA 330.A N LEU 326.A O no hydrogen 2.923 N/A LEU 331.A N LEU 327.A O no hydrogen 2.908 N/A ASP 332.A N CYS 329.A O no hydrogen 3.272 N/A ARG 333.A N LEU 328.A O no hydrogen 3.315 N/A ARG 333.A NH1 ASP 255.A OD2 no hydrogen 2.778 N/A LYS 334.A N LEU 328.A O no hydrogen 3.288 N/A LYS 334.A NZ ARG 333.A O no hydrogen 2.405 N/A GLN 336.A N ASP 335.A OD1 no hydrogen 2.572 N/A ASP 337.A N VAL 173.A O no hydrogen 3.273 N/A ASP 340.A N ASP 338.A OD1 no hydrogen 3.464 N/A HIS 341.A NE2 GLU 617.A OE1 no hydrogen 2.444 N/A PHE 342.A N THR 445.A OG1 no hydrogen 3.075 N/A GLY 343.A N HIS 341.A ND1 no hydrogen 3.038 N/A LYS 344.A N HIS 341.A O no hydrogen 3.216 N/A LYS 345.A N PHE 342.A O no hydrogen 3.246 N/A ARG 346.A N ARG 165.A O no hydrogen 2.899 N/A ARG 346.A NH1 GLY 343.A O no hydrogen 2.664 N/A ARG 346.A NH1 LYS 345.A O no hydrogen 3.429 N/A LEU 347.A N GLY 559.A O no hydrogen 2.903 N/A ASP 348.A N GLN 163.A O no hydrogen 2.815 N/A GLY 351.A N SER 31.A OG no hydrogen 2.777 N/A LEU 353.A N LEU 349.A O no hydrogen 3.312 N/A LEU 354.A N ALA 350.A O no hydrogen 2.904 N/A ALA 355.A N GLY 351.A O no hydrogen 2.883 N/A GLN 356.A N PRO 352.A O no hydrogen 2.871 N/A LEU 357.A N LEU 353.A O no hydrogen 2.985 N/A PHE 358.A N LEU 354.A O no hydrogen 2.810 N/A LYS 359.A N ALA 355.A O no hydrogen 2.951 N/A THR 360.A OG1 GLN 356.A O no hydrogen 3.104 N/A LEU 361.A N LEU 357.A O no hydrogen 2.984 N/A PHE 362.A N PHE 358.A O no hydrogen 2.793 N/A LYS 363.A N LYS 359.A O no hydrogen 2.950 N/A LYS 363.A NZ ASP 47.A O no hydrogen 3.397 N/A LYS 363.A NZ ASP 47.A OD2 no hydrogen 2.441 N/A LYS 364.A N THR 360.A O no hydrogen 2.945 N/A LYS 364.A NZ GLU 402.A OE1 no hydrogen 3.419 N/A LEU 365.A N LEU 361.A O no hydrogen 2.912 N/A THR 366.A N PHE 362.A O no hydrogen 2.875 N/A THR 366.A OG1 PHE 362.A O no hydrogen 2.551 N/A LYS 367.A N LYS 363.A O no hydrogen 2.898 N/A ASP 368.A N LYS 364.A O no hydrogen 2.959 N/A ILE 369.A N LEU 365.A O no hydrogen 2.896 N/A PHE 370.A N THR 366.A O no hydrogen 2.896 N/A ARG 371.A N LYS 367.A O no hydrogen 2.907 N/A TYR 372.A N ASP 368.A O no hydrogen 2.938 N/A MET 373.A N ILE 369.A O no hydrogen 2.893 N/A GLN 374.A N PHE 370.A O no hydrogen 2.869 N/A ARG 375.A N ARG 371.A O no hydrogen 2.928 N/A THR 376.A N TYR 372.A O no hydrogen 2.608 N/A THR 376.A OG1 TYR 372.A O no hydrogen 3.212 N/A VAL 377.A N ARG 375.A O no hydrogen 3.047 N/A VAL 377.A N GLU 378.A OE1 no hydrogen 2.962 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.588 N/A THR 386.A N ASN 383.A O no hydrogen 3.501 N/A THR 386.A OG1 ASN 383.A OD1 no hydrogen 2.808 N/A THR 388.A N ALA 384.A O no hydrogen 3.202 N/A THR 388.A OG1 ALA 384.A O no hydrogen 2.764 N/A SER 389.A N LYS 385.A O no hydrogen 2.674 N/A SER 389.A OG LYS 385.A O no hydrogen 2.362 N/A GLY 390.A N THR 386.A O no hydrogen 2.933 N/A LEU 391.A N ILE 387.A O no hydrogen 3.320 N/A LEU 395.A N LEU 391.A O no hydrogen 3.154 N/A ALA 396.A N LYS 392.A O no hydrogen 2.448 N/A ALA 396.A N TYR 393.A O no hydrogen 2.969 N/A THR 397.A N TYR 393.A O no hydrogen 2.699 N/A THR 397.A OG1 TYR 393.A O no hydrogen 2.551 N/A ASN 399.A N THR 397.A OG1 no hydrogen 3.290 N/A TRP 400.A N ARG 410.A O no hydrogen 3.295 N/A TRP 400.A NE1 LEU 353.A O no hydrogen 2.946 N/A SER 408.A OG LYS 404.A O no hydrogen 2.377 N/A SER 408.A OG SER 408.A O no hydrogen 2.566 N/A ARG 410.A NH2 GLN 356.A OE1 no hydrogen 2.548 N/A VAL 413.A N GLY 398.A O no hydrogen 3.008 N/A SER 414.A OG LEU 395.A O no hydrogen 2.319 N/A GLN 415.A N VAL 159.A O no hydrogen 2.944 N/A GLN 415.A NE2 GLY 412.A O no hydrogen 2.839 N/A LEU 417.A N GLU 157.A O no hydrogen 2.958 N/A ARG 419.A NE GLU 157.A OE2 no hydrogen 2.679 N/A ARG 419.A NH2 GLU 157.A OE1 no hydrogen 3.069 N/A THR 421.A OG1 ALA 689.A O no hydrogen 2.339 N/A TYR 422.A OH PHE 145.A O no hydrogen 2.450 N/A SER 424.A OG ASN 418.A OD1 no hydrogen 2.270 N/A THR 425.A N THR 421.A O no hydrogen 2.816 N/A THR 425.A OG1 ASN 418.A O no hydrogen 2.760 N/A THR 425.A OG1 THR 421.A O no hydrogen 2.994 N/A LEU 426.A N TYR 422.A O no hydrogen 2.934 N/A SER 427.A N SER 423.A O no hydrogen 2.900 N/A SER 427.A OG GLU 454.A OE2 no hydrogen 2.496 N/A HIS 428.A N SER 424.A O no hydrogen 2.939 N/A HIS 428.A ND1 HIS 428.A O no hydrogen 2.804 N/A LEU 429.A N LEU 426.A O no hydrogen 3.220 N/A ARG 430.A NH2 LEU 469.A O no hydrogen 2.984 N/A ARG 431.A NH2 SER 427.A O no hydrogen 2.675 N/A ARG 431.A NH2 SER 427.A OG no hydrogen 2.910 N/A THR 432.A N LYS 465.A O no hydrogen 2.886 N/A THR 432.A OG1 LYS 465.A O no hydrogen 2.545 N/A ASN 433.A N ALA 162.A O no hydrogen 2.697 N/A ASN 433.A ND2 GLN 163.A OE1 no hydrogen 3.367 N/A THR 434.A OG1 GLU 164.A OE1 no hydrogen 2.275 N/A THR 434.A OG1 LEU 463.A O no hydrogen 2.977 N/A LYS 438.A N ASP 340.A OD2 no hydrogen 3.343 N/A ARG 440.A NE CYS 461.A O no hydrogen 3.122 N/A HIS 443.A NE2 ASP 338.A OD2 no hydrogen 2.813 N/A THR 445.A N HIS 443.A ND1 no hydrogen 3.148 N/A THR 445.A OG1 HIS 443.A ND1 no hydrogen 3.012 N/A HIS 446.A N HIS 443.A O no hydrogen 3.081 N/A TRP 447.A N ASN 444.A O no hydrogen 3.333 N/A TRP 447.A NE1 GLU 654.A OE1 no hydrogen 2.653 N/A LEU 449.A N HIS 446.A O no hydrogen 3.287 N/A VAL 450.A N HIS 446.A O no hydrogen 3.259 N/A CYS 451.A N ASN 466.A O no hydrogen 2.791 N/A THR 455.A OG1 VAL 464.A O no hydrogen 2.753 N/A CYS 461.A SG PRO 456.A O no hydrogen 3.437 N/A GLY 462.A N THR 455.A OG1 no hydrogen 3.023 N/A LYS 465.A N THR 432.A O no hydrogen 3.141 N/A LYS 465.A NZ GLY 462.A O no hydrogen 2.383 N/A SER 468.A OG ILE 660.A O no hydrogen 2.901 N/A CYS 472.A N TYR 562.A O no hydrogen 2.922 N/A CYS 472.A SG MET 470.A O no hydrogen 3.768 N/A SER 474.A N ARG 560.A O no hydrogen 2.950 N/A SER 474.A OG ASP 557.A O no hydrogen 2.334 N/A VAL 475.A N GLU 540.A OE1 no hydrogen 2.725 N/A VAL 475.A N GLU 540.A OE2 no hydrogen 3.151 N/A GLY 476.A N GLU 540.A OE1 no hydrogen 2.960 N/A THR 477.A N THR 556.A O no hydrogen 3.398 N/A THR 477.A OG1 GLU 540.A OE1 no hydrogen 3.492 N/A ILE 483.A N PRO 479.A O no hydrogen 3.029 N/A THR 484.A N MET 480.A O no hydrogen 2.942 N/A THR 484.A OG1 MET 480.A O no hydrogen 2.776 N/A PHE 485.A N PRO 481.A O no hydrogen 2.933 N/A LEU 486.A N ILE 482.A O no hydrogen 2.899 N/A SER 487.A N ILE 483.A O no hydrogen 2.919 N/A SER 487.A OG ILE 483.A O no hydrogen 3.338 N/A GLU 488.A N THR 484.A O no hydrogen 2.906 N/A TRP 489.A N LEU 486.A O no hydrogen 3.001 N/A MET 491.A N LEU 486.A O no hydrogen 3.088 N/A GLU 495.A N GLU 495.A OE1 no hydrogen 2.682 N/A HIS 500.A N GLU 247.A OE1 no hydrogen 3.116 N/A HIS 500.A ND1 GLU 247.A OE1 no hydrogen 2.634 N/A HIS 500.A ND1 GLU 247.A OE2 no hydrogen 3.168 N/A SER 502.A N VAL 498.A O no hydrogen 3.029 N/A SER 502.A OG VAL 498.A O no hydrogen 2.426 N/A ASP 504.A N ASP 504.A OD1 no hydrogen 2.671 N/A THR 506.A N HIS 518.A O no hydrogen 2.648 N/A ARG 507.A N LYS 550.A O no hydrogen 3.441 N/A ARG 507.A NH2 GLU 549.A O no hydrogen 3.555 N/A VAL 508.A N GLY 516.A O no hydrogen 3.522 N/A PHE 509.A N LEU 552.A O no hydrogen 2.828 N/A VAL 510.A N VAL 513.A O no hydrogen 3.322 N/A ASN 511.A N ILE 554.A O no hydrogen 2.841 N/A ASN 511.A ND2 THR 556.A OG1 no hydrogen 2.803 N/A VAL 513.A N VAL 510.A O no hydrogen 3.293 N/A HIS 515.A N VAL 508.A O no hydrogen 3.359 N/A VAL 517.A N GLU 492.A O no hydrogen 3.009 N/A HIS 518.A N THR 506.A O no hydrogen 2.665 N/A HIS 518.A ND1 GLY 490.A O no hydrogen 2.886 N/A HIS 518.A NE2 ASN 520.A O no hydrogen 2.810 N/A ARG 519.A NE GLU 492.A OE2 no hydrogen 3.096 N/A MET 525.A N PRO 521.A O no hydrogen 2.891 N/A GLU 526.A N ALA 522.A O no hydrogen 2.934 N/A THR 527.A N ARG 523.A O no hydrogen 2.920 N/A THR 527.A OG1 ARG 523.A O no hydrogen 2.800 N/A THR 527.A OG1 LEU 524.A O no hydrogen 2.752 N/A LEU 528.A N LEU 524.A O no hydrogen 2.899 N/A ARG 529.A N MET 525.A O no hydrogen 2.902 N/A THR 530.A N GLU 526.A O no hydrogen 2.930 N/A THR 530.A OG1 GLU 526.A O no hydrogen 2.386 N/A LEU 531.A N THR 527.A O no hydrogen 2.897 N/A ARG 532.A N LEU 528.A O no hydrogen 2.942 N/A ARG 532.A NH1 GLU 609.A OE2 no hydrogen 2.332 N/A ARG 532.A NH1 GLU 615.A OE2 no hydrogen 2.697 N/A ARG 532.A NH2 VAL 541.A O no hydrogen 2.354 N/A ARG 532.A NH2 GLU 615.A OE1 no hydrogen 2.844 N/A ARG 532.A NH2 GLU 615.A OE2 no hydrogen 3.430 N/A ARG 533.A N ARG 529.A O no hydrogen 2.899 N/A ARG 533.A NE GLU 609.A OE1 no hydrogen 2.740 N/A ARG 533.A NH2 GLU 569.A OE2 no hydrogen 3.489 N/A ARG 533.A NH2 GLU 609.A OE1 no hydrogen 3.139 N/A LYS 534.A N THR 530.A O no hydrogen 2.855 N/A GLY 535.A N LEU 531.A O no hydrogen 3.134 N/A ILE 537.A N LEU 531.A O no hydrogen 2.956 N/A GLU 540.A N ASN 538.A OD1 no hydrogen 2.895 N/A VAL 541.A N ASN 538.A O no hydrogen 3.250 N/A SER 542.A N PHE 555.A O no hydrogen 2.912 N/A MET 543.A N GLU 615.A OE1 no hydrogen 3.127 N/A ILE 544.A N LYS 553.A O no hydrogen 2.888 N/A GLU 549.A N ASP 546.A OD1 no hydrogen 3.369 N/A LYS 550.A N ILE 547.A O no hydrogen 3.159 N/A GLU 551.A N ASP 546.A O no hydrogen 2.936 N/A LEU 552.A N ARG 507.A O no hydrogen 2.880 N/A LYS 553.A N ILE 544.A O no hydrogen 2.899 N/A ILE 554.A N PHE 509.A O no hydrogen 2.877 N/A PHE 555.A N SER 542.A O no hydrogen 2.885 N/A THR 556.A N ASN 511.A OD1 no hydrogen 2.647 N/A THR 556.A OG1 THR 477.A O no hydrogen 3.022 N/A ALA 558.A N ASP 557.A OD2 no hydrogen 2.845 N/A GLY 559.A N SER 474.A O no hydrogen 2.712 N/A GLY 559.A N SER 474.A OG no hydrogen 2.955 N/A ARG 560.A N SER 474.A OG no hydrogen 3.138 N/A TYR 562.A N CYS 472.A O no hydrogen 2.940 N/A ARG 563.A N ILE 611.A O no hydrogen 2.917 N/A ARG 563.A NH2 TRP 447.A O no hydrogen 3.442 N/A LEU 565.A N GLU 609.A O no hydrogen 2.939 N/A PHE 566.A N CYS 653.A O no hydrogen 2.947 N/A VAL 568.A N THR 651.A O no hydrogen 3.238 N/A GLU 569.A N GLU 575.A O no hydrogen 2.966 N/A HIS 573.A NE2 GLU 575.A OE1 no hydrogen 2.507 N/A LYS 574.A NZ GLU 569.A OE1 no hydrogen 3.182 N/A LYS 574.A NZ PHE 650.A O no hydrogen 2.952 N/A GLU 575.A N GLU 569.A O no hydrogen 2.784 N/A LEU 576.A N GLU 575.A OE2 no hydrogen 2.784 N/A LYS 577.A N ILE 567.A O no hydrogen 2.735 N/A ARG 579.A N HIS 582.A ND1 no hydrogen 3.268 N/A ARG 579.A NE LEU 576.A O no hydrogen 2.720 N/A ARG 579.A NH1 SER 3.A O no hydrogen 3.391 N/A ARG 579.A NH2 ASP 571.A OD1 no hydrogen 3.066 N/A ARG 579.A NH2 LEU 576.A O no hydrogen 2.875 N/A LYS 580.A N ALA 4.A O no hydrogen 2.817 N/A LYS 580.A NZ ASP 10.A OD1 no hydrogen 3.324 N/A LYS 580.A NZ ASP 10.A OD2 no hydrogen 2.358 N/A GLY 581.A N GLU 2.A O no hydrogen 2.897 N/A ILE 583.A N ARG 579.A O no hydrogen 3.310 N/A ALA 584.A N LYS 580.A O no hydrogen 2.877 N/A LYS 585.A N GLY 581.A O no hydrogen 2.928 N/A LEU 586.A N HIS 582.A O no hydrogen 2.938 N/A MET 587.A N ILE 583.A O no hydrogen 2.896 N/A ALA 588.A N ALA 584.A O no hydrogen 2.840 N/A THR 589.A N LYS 585.A O no hydrogen 2.950 N/A THR 589.A OG1 LYS 585.A O no hydrogen 2.861 N/A THR 589.A OG1 TYR 597.A O no hydrogen 3.381 N/A GLU 590.A N LEU 586.A O no hydrogen 2.920 N/A TYR 591.A N MET 587.A O no hydrogen 2.823 N/A GLN 592.A N ALA 588.A O no hydrogen 3.308 N/A ASP 593.A N TYR 591.A O no hydrogen 2.751 N/A TYR 597.A N THR 589.A OG1 no hydrogen 2.971 N/A TYR 597.A OH GLU 605.A OE1 no hydrogen 2.689 N/A THR 598.A OG1 GLU 21.A OE2 no hydrogen 3.353 N/A TRP 599.A NE1 TYR 610.A OH no hydrogen 3.132 N/A SER 600.A N GLU 21.A OE2 no hydrogen 2.684 N/A SER 600.A OG GLU 21.A OE1 no hydrogen 2.684 N/A SER 600.A OG GLU 21.A OE2 no hydrogen 3.054 N/A SER 601.A N THR 598.A OG1 no hydrogen 3.153 N/A SER 601.A OG THR 598.A O no hydrogen 2.264 N/A LEU 602.A N THR 598.A O no hydrogen 3.469 N/A LEU 603.A N TRP 599.A O no hydrogen 2.948 N/A ASN 604.A N SER 600.A O no hydrogen 2.861 N/A GLU 605.A N SER 601.A O no hydrogen 2.969 N/A LEU 607.A N LEU 602.A O no hydrogen 3.021 N/A GLU 609.A N LEU 565.A O no hydrogen 2.965 N/A ILE 611.A N ARG 563.A O no hydrogen 2.968 N/A GLU 616.A N ASP 612.A O no hydrogen 3.061 N/A GLU 617.A N GLU 614.A O no hydrogen 2.973 N/A SER 618.A N GLU 615.A O no hydrogen 2.974 N/A SER 618.A OG GLU 615.A O no hydrogen 2.961 N/A LEU 620.A N THR 651.A OG1 no hydrogen 2.889 N/A ALA 622.A N HIS 652.A O no hydrogen 2.981 N/A MET 623.A N ASP 627.A OD2 no hydrogen 3.321 N/A ASP 627.A N GLN 624.A O no hydrogen 2.970 N/A GLU 629.A N GLU 626.A O no hydrogen 3.433 N/A LYS 639.A N ASP 636.A OD1 no hydrogen 2.982 N/A ARG 640.A NE THR 950.A O no hydrogen 3.325 N/A ARG 640.A NH1 ASP 672.A OD2 no hydrogen 3.152 N/A ARG 640.A NH2 ASP 672.A OD2 no hydrogen 2.435 N/A ARG 640.A NH2 THR 950.A O no hydrogen 3.114 N/A THR 651.A N LEU 620.A O no hydrogen 2.746 N/A THR 651.A OG1 LEU 620.A O no hydrogen 2.984 N/A THR 651.A OG1 HIS 652.A ND1 no hydrogen 2.946 N/A HIS 652.A N LEU 620.A O no hydrogen 3.245 N/A CYS 653.A SG ALA 622.A O no hydrogen 3.639 N/A CYS 653.A SG GLU 654.A O no hydrogen 3.307 N/A GLU 654.A N ALA 622.A O no hydrogen 2.895 N/A HIS 656.A ND1 SER 658.A OG no hydrogen 2.678 N/A SER 658.A OG HIS 656.A ND1 no hydrogen 2.678 N/A MET 659.A N HIS 656.A O no hydrogen 3.093 N/A ILE 660.A N PRO 657.A O no hydrogen 2.973 N/A LEU 661.A N SER 658.A O no hydrogen 3.443 N/A ALA 664.A N GLU 454.A OE1 no hydrogen 3.212 N/A SER 666.A N GLY 662.A O no hydrogen 3.238 N/A SER 666.A OG GLY 662.A O no hydrogen 2.546 N/A ILE 667.A N ALA 664.A O no hydrogen 3.402 N/A ILE 668.A N ALA 665.A O no hydrogen 3.253 N/A PHE 670.A N ALA 946.A O no hydrogen 3.047 N/A HIS 673.A N PHE 670.A O no hydrogen 2.836 N/A HIS 673.A ND1 ASP 672.A OD1 no hydrogen 3.118 N/A ARG 678.A N GLN 675.A O no hydrogen 3.074 N/A ASN 679.A N GLN 675.A O no hydrogen 3.468 N/A ASN 679.A ND2 PRO 671.A O no hydrogen 2.828 N/A THR 680.A N SER 676.A O no hydrogen 2.993 N/A THR 680.A OG1 ALA 453.A O no hydrogen 3.222 N/A THR 680.A OG1 SER 676.A O no hydrogen 3.282 N/A TYR 681.A N PRO 677.A O no hydrogen 2.811 N/A GLN 682.A N ARG 678.A O no hydrogen 2.960 N/A SER 683.A OG ASN 679.A O no hydrogen 2.897 N/A MET 685.A N GLN 682.A O no hydrogen 2.681 N/A GLY 686.A N GLN 682.A O no hydrogen 3.024 N/A LYS 687.A NZ GLU 454.A OE2 no hydrogen 3.501 N/A LYS 687.A NZ SER 683.A O no hydrogen 3.186 N/A GLN 688.A N MET 685.A O no hydrogen 2.722 N/A MET 690.A N ARG 996.A O no hydrogen 2.942 N/A ASN 696.A ND2 LYS 141.A O no hydrogen 2.996 N/A VAL 699.A N ASN 696.A O no hydrogen 3.069 N/A ARG 700.A N ASN 696.A O no hydrogen 3.185 N/A ARG 700.A NH1 ASP 702.A OD2 no hydrogen 3.139 N/A ARG 700.A NH2 GLU 157.A OE2 no hydrogen 3.286 N/A ALA 705.A N PHE 768.A O no hydrogen 2.900 N/A ILE 707.A N LEU 766.A O no hydrogen 2.954 N/A TYR 709.A N ARG 764.A O no hydrogen 3.058 N/A TYR 709.A OH THR 873.A OG1 no hydrogen 2.704 N/A GLN 712.A N GLY 732.A O no hydrogen 3.118 N/A THR 717.A N GLY 944.A O no hydrogen 2.669 N/A THR 717.A OG1 GLU 943.A OE1 no hydrogen 2.293 N/A THR 717.A OG1 GLY 944.A O no hydrogen 3.422 N/A THR 718.A OG1 SER 666.A O no hydrogen 2.614 N/A ARG 719.A N SER 947.A OG no hydrogen 2.793 N/A MET 721.A N THR 718.A O no hydrogen 3.152 N/A GLU 722.A N ARG 719.A O no hydrogen 3.456 N/A TYR 723.A OH SER 16.A OG no hydrogen 2.365 N/A LEU 724.A N MET 721.A O no hydrogen 2.908 N/A LYS 725.A NZ GLU 722.A O no hydrogen 2.994 N/A PHE 726.A N MET 721.A O no hydrogen 3.298 N/A LEU 729.A N PHE 726.A O no hydrogen 3.160 N/A ALA 731.A N TYR 993.A OH no hydrogen 3.127 N/A GLN 733.A N TYR 994.A O no hydrogen 2.955 N/A GLN 733.A NE2 TYR 710.A O no hydrogen 2.785 N/A ASN 734.A N GLN 712.A OE1 no hydrogen 2.604 N/A ALA 735.A N THR 992.A O no hydrogen 2.966 N/A ILE 736.A N ASP 911.A OD2 no hydrogen 3.086 N/A VAL 737.A N GLY 990.A O no hydrogen 2.846 N/A ALA 738.A N LEU 912.A O no hydrogen 2.887 N/A ILE 739.A N PHE 988.A O no hydrogen 2.957 N/A ALA 740.A N ILE 914.A O no hydrogen 2.937 N/A TYR 742.A OH ASP 900.A O no hydrogen 2.822 N/A TYR 742.A OH ASN 976.A OD1 no hydrogen 2.880 N/A SER 743.A OG TYR 742.A O no hydrogen 2.482 N/A SER 743.A OG TYR 896.A OH no hydrogen 2.505 N/A ASN 746.A N ASN 746.A OD1 no hydrogen 2.542 N/A ASN 746.A ND2 ALA 740.A O no hydrogen 2.792 N/A SER 750.A N GLN 747.A O no hydrogen 3.307 N/A SER 750.A OG TYR 745.A O no hydrogen 2.917 N/A SER 750.A OG GLN 747.A O no hydrogen 2.722 N/A MET 751.A N THR 891.A O no hydrogen 2.831 N/A ILE 752.A N ILE 913.A O no hydrogen 2.917 N/A MET 753.A N ILE 894.A O no hydrogen 3.364 N/A ASN 754.A N ASP 911.A O no hydrogen 2.787 N/A GLN 755.A N TYR 896.A O no hydrogen 2.483 N/A GLN 755.A NE2 ASP 759.A OD1 no hydrogen 2.850 N/A SER 756.A N ASN 754.A OD1 no hydrogen 3.317 N/A SER 757.A OG ASN 754.A O no hydrogen 2.378 N/A ILE 758.A N ASN 754.A O no hydrogen 3.046 N/A ASP 759.A N GLN 755.A O no hydrogen 2.925 N/A ARG 760.A N SER 757.A O no hydrogen 3.093 N/A GLY 761.A N ILE 758.A O no hydrogen 2.860 N/A LEU 762.A N SER 757.A O no hydrogen 3.272 N/A PHE 763.A N GLN 733.A OE1 no hydrogen 3.025 N/A SER 765.A N LYS 874.A O no hydrogen 2.926 N/A LEU 766.A N ILE 707.A O no hydrogen 2.860 N/A PHE 767.A N THR 872.A O no hydrogen 2.820 N/A PHE 768.A N ALA 705.A O no hydrogen 2.916 N/A ARG 769.A N VAL 870.A O no hydrogen 2.921 N/A SER 770.A N THR 703.A O no hydrogen 3.225 N/A SER 770.A OG ASP 702.A O no hydrogen 2.352 N/A TYR 771.A N VAL 868.A O no hydrogen 2.852 N/A ASP 773.A N VAL 866.A O no hydrogen 2.935 N/A GLN 774.A N ASP 773.A OD1 no hydrogen 2.714 N/A GLU 775.A N LYS 864.A O no hydrogen 2.812 N/A LYS 776.A N GLU 784.A OE1 no hydrogen 3.013 N/A LYS 776.A NZ TYR 778.A OH no hydrogen 3.484 N/A TYR 778.A N ILE 782.A O no hydrogen 2.726 N/A THR 783.A OG1 GLU 784.A O no hydrogen 2.636 N/A GLU 784.A N LYS 776.A O no hydrogen 2.959 N/A THR 785.A N THR 827.A O no hydrogen 3.151 N/A PHE 786.A N GLU 775.A OE2 no hydrogen 2.572 N/A GLU 787.A N GLY 825.A O no hydrogen 2.967 N/A LYS 788.A NZ ASP 803.A OD1 no hydrogen 3.473 N/A ARG 791.A NH2 GLY 800.A O no hydrogen 3.412 N/A THR 794.A N GLN 790.A O no hydrogen 3.030 N/A THR 794.A OG1 GLN 790.A O no hydrogen 2.766 N/A LEU 795.A N LYS 836.A O no hydrogen 2.906 N/A LYS 798.A N TYR 802.A OH no hydrogen 3.071 N/A LYS 798.A N ASP 838.A OD2 no hydrogen 3.101 N/A LYS 798.A NZ SER 840.A O no hydrogen 2.768 N/A TYR 802.A OH ASP 838.A OD2 no hydrogen 2.627 N/A TYR 802.A OH SER 840.A OG no hydrogen 3.278 N/A LYS 804.A NZ ARG 816.A O no hydrogen 2.402 N/A LYS 804.A NZ ASP 821.A OD2 no hydrogen 3.086 N/A LEU 805.A N TYR 802.A O no hydrogen 2.965 N/A ASP 806.A N LEU 810.A O no hydrogen 3.242 N/A GLY 809.A N ASP 806.A O no hydrogen 3.290 N/A LEU 810.A N ASP 808.A OD1 no hydrogen 3.294 N/A ILE 811.A N ILE 823.A O no hydrogen 3.406 N/A GLY 814.A N VAL 851.A O no hydrogen 3.076 N/A VAL 817.A N GLY 849.A O no hydrogen 2.586 N/A SER 818.A N ASP 821.A OD2 no hydrogen 3.045 N/A GLY 819.A N GLU 847.A O no hydrogen 3.171 N/A VAL 822.A N THR 801.A O no hydrogen 3.129 N/A ILE 823.A N THR 841.A O no hydrogen 3.255 N/A GLY 825.A N GLY 809.A O no hydrogen 2.677 N/A LYS 826.A NZ ASP 773.A OD1 no hydrogen 2.495 N/A LYS 826.A NZ GLN 774.A O no hydrogen 2.418 N/A LYS 826.A NZ GLU 784.A OE1 no hydrogen 3.187 N/A THR 827.A N THR 785.A O no hydrogen 3.083 N/A THR 827.A OG1 GLU 787.A OE2 no hydrogen 2.442 N/A THR 828.A N ARG 837.A O no hydrogen 2.831 N/A SER 835.A N ASN 793.A OD1 no hydrogen 3.309 N/A LYS 836.A NZ GLU 787.A OE1 no hydrogen 3.288 N/A LYS 836.A NZ GLU 787.A OE2 no hydrogen 2.433 N/A ARG 837.A N THR 828.A O no hydrogen 2.756 N/A ASP 838.A N LEU 795.A O no hydrogen 2.727 N/A ALA 839.A N LYS 826.A O no hydrogen 2.841 N/A SER 840.A N ASP 838.A OD1 no hydrogen 2.757 N/A SER 840.A OG TYR 802.A OH no hydrogen 3.278 N/A SER 840.A OG ASP 838.A OD1 no hydrogen 2.320 N/A SER 840.A OG ASP 838.A OD2 no hydrogen 3.406 N/A THR 841.A N ILE 824.A O no hydrogen 2.836 N/A THR 841.A OG1 ASP 773.A OD2 no hydrogen 3.177 N/A LEU 843.A N ASP 821.A O no hydrogen 2.996 N/A THR 846.A OG1 ASP 1002.A O no hydrogen 3.077 N/A GLU 847.A N ARG 844.A O no hydrogen 2.848 N/A GLY 849.A N VAL 817.A O no hydrogen 2.655 N/A ILE 850.A N ARG 871.A O no hydrogen 2.745 N/A VAL 851.A N VAL 815.A O no hydrogen 3.141 N/A ASP 852.A N ARG 869.A O no hydrogen 2.759 N/A LEU 855.A N LYS 867.A O no hydrogen 2.857 N/A THR 857.A N PHE 865.A O no hydrogen 2.938 N/A THR 857.A OG1 THR 858.A O no hydrogen 3.275 N/A THR 858.A N THR 857.A OG1 no hydrogen 2.437 N/A THR 858.A OG1 ASN 859.A O no hydrogen 3.462 N/A THR 858.A OG1 LEU 863.A O no hydrogen 3.153 N/A ASN 859.A N LEU 863.A O no hydrogen 3.121 N/A ASN 859.A ND2 GLN 774.A OE1 no hydrogen 3.450 N/A PHE 865.A N THR 857.A O no hydrogen 2.902 N/A VAL 866.A N ASP 773.A O no hydrogen 2.900 N/A LYS 867.A N LEU 855.A O no hydrogen 2.905 N/A LYS 867.A NZ ARG 89.A O no hydrogen 3.006 N/A LYS 867.A NZ LEU 90.A O no hydrogen 3.470 N/A LYS 867.A NZ ASN 92.A OD1 no hydrogen 3.172 N/A VAL 868.A N TYR 771.A O no hydrogen 2.890 N/A ARG 869.A N GLN 853.A O no hydrogen 2.898 N/A ARG 869.A NE ASP 852.A OD2 no hydrogen 3.053 N/A ARG 869.A NH1 ARG 700.A O no hydrogen 2.799 N/A ARG 869.A NH2 ASP 852.A OD2 no hydrogen 2.376 N/A VAL 870.A N ARG 769.A O no hydrogen 2.898 N/A ARG 871.A N ILE 850.A O no hydrogen 2.571 N/A ARG 871.A NE ASP 852.A OD1 no hydrogen 3.084 N/A THR 872.A N PHE 767.A O no hydrogen 2.907 N/A THR 872.A OG1 ASN 848.A O no hydrogen 2.441 N/A THR 873.A OG1 TYR 709.A OH no hydrogen 2.704 N/A THR 873.A OG1 SER 765.A O no hydrogen 3.520 N/A LYS 874.A N SER 765.A O no hydrogen 2.858 N/A LYS 874.A NZ ASP 1003.A OD2 no hydrogen 2.671 N/A GLN 877.A N ASP 880.A OD2 no hydrogen 3.059 N/A GLY 879.A N ILE 892.A O no hydrogen 2.488 N/A ASP 880.A N GLN 877.A O no hydrogen 3.266 N/A LYS 881.A N HIS 999.A O no hydrogen 3.122 N/A PHE 882.A N GLY 890.A O no hydrogen 2.843 N/A ALA 883.A N GLN 995.A O no hydrogen 3.010 N/A SER 884.A OG TYR 993.A O no hydrogen 3.286 N/A ARG 885.A N SER 884.A OG no hydrogen 2.487 N/A ARG 885.A NE GLU 930.A OE1 no hydrogen 3.201 N/A ARG 885.A NH1 ILE 667.A O no hydrogen 3.050 N/A ARG 885.A NH1 GLY 716.A O no hydrogen 3.321 N/A ARG 885.A NH2 GLY 716.A O no hydrogen 2.991 N/A ARG 885.A NH2 GLU 930.A OE1 no hydrogen 2.466 N/A HIS 886.A NE2 GLU 930.A OE2 no hydrogen 2.830 N/A GLN 888.A NE2 THR 924.A OG1 no hydrogen 2.546 N/A LYS 889.A N GLY 887.A O no hydrogen 2.980 N/A ILE 892.A N ASP 880.A O no hydrogen 3.233 N/A GLY 893.A N MET 751.A O no hydrogen 2.724 N/A THR 895.A OG1 GLN 755.A OE1 no hydrogen 3.166 N/A TYR 896.A N MET 753.A O no hydrogen 3.392 N/A TYR 896.A OH SER 743.A OG no hydrogen 2.505 N/A MET 901.A N ARG 897.A O no hydrogen 2.965 N/A PHE 903.A N TYR 975.A O no hydrogen 3.148 N/A THR 904.A N ILE 908.A O no hydrogen 3.165 N/A THR 904.A OG1 GLU 972.A OE2 no hydrogen 3.497 N/A THR 904.A OG1 VAL 973.A O no hydrogen 3.440 N/A GLY 907.A N THR 904.A O no hydrogen 3.103 N/A LEU 912.A N ILE 736.A O no hydrogen 2.928 N/A ILE 913.A N ILE 752.A O no hydrogen 2.719 N/A ILE 914.A N ALA 738.A O no hydrogen 2.954 N/A ASN 915.A ND2 ASN 746.A O no hydrogen 2.332 N/A ARG 922.A NH2 ASP 749.A OD1 no hydrogen 2.532 N/A MET 923.A N ILE 919.A O no hydrogen 3.148 N/A THR 924.A OG1 THR 924.A O no hydrogen 2.456 N/A ALA 926.A N ASN 674.A OD1 no hydrogen 2.775 N/A HIS 927.A NE2 TYR 994.A OH no hydrogen 3.109 N/A ILE 929.A N VAL 925.A O no hydrogen 2.914 N/A GLU 930.A N ALA 926.A O no hydrogen 2.814 N/A CYS 931.A N HIS 927.A O no hydrogen 3.010 N/A CYS 931.A SG GLY 990.A O no hydrogen 3.953 N/A CYS 931.A SG THR 992.A OG1 no hydrogen 2.783 N/A LEU 933.A N ILE 929.A O no hydrogen 2.896 N/A SER 934.A N GLU 930.A O no hydrogen 2.850 N/A SER 934.A OG GLU 930.A O no hydrogen 2.632 N/A LYS 935.A N CYS 931.A O no hydrogen 2.938 N/A LYS 935.A NZ GLU 972.A OE1 no hydrogen 2.629 N/A LYS 935.A NZ PHE 989.A O no hydrogen 2.576 N/A VAL 936.A N LEU 932.A O no hydrogen 3.026 N/A ALA 937.A N LEU 933.A O no hydrogen 2.882 N/A ALA 938.A N SER 934.A O no hydrogen 2.890 N/A LEU 939.A N LYS 935.A O no hydrogen 2.983 N/A SER 940.A N VAL 936.A O no hydrogen 2.888 N/A SER 940.A OG VAL 936.A O no hydrogen 2.693 N/A SER 940.A OG ALA 937.A O no hydrogen 3.370 N/A SER 940.A OG ASN 942.A OD1 no hydrogen 3.253 N/A GLY 941.A N ALA 937.A O no hydrogen 2.764 N/A ASN 942.A N SER 940.A OG no hydrogen 3.319 N/A ALA 946.A N THR 717.A O no hydrogen 3.155 N/A ALA 946.A N GLY 944.A O no hydrogen 2.920 N/A SER 947.A OG ASP 945.A OD1 no hydrogen 2.532 N/A PHE 949.A N ASP 672.A OD2 no hydrogen 2.628 N/A THR 950.A OG1 SER 947.A O no hydrogen 2.755 N/A GLY 956.A N THR 953.A OG1 no hydrogen 2.567 N/A ILE 957.A N THR 953.A O no hydrogen 3.062 N/A SER 958.A N VAL 954.A O no hydrogen 2.912 N/A SER 958.A OG VAL 954.A O no hydrogen 2.813 N/A SER 958.A OG SER 968.A O no hydrogen 2.848 N/A LYS 959.A N GLU 955.A O no hydrogen 2.883 N/A LEU 960.A N GLY 956.A O no hydrogen 2.947 N/A LEU 961.A N ILE 957.A O no hydrogen 2.878 N/A ARG 962.A N SER 958.A O no hydrogen 2.920 N/A HIS 964.A N LEU 961.A O no hydrogen 3.005 N/A GLY 965.A N ARG 962.A O no hydrogen 3.146 N/A TYR 966.A OH GLU 906.A OE1 no hydrogen 2.566 N/A ARG 969.A N GLN 967.A OE1 no hydrogen 2.839 N/A ARG 969.A NH1 GLU 955.A OE2 no hydrogen 2.579 N/A GLY 970.A N GLN 967.A O no hydrogen 3.163 N/A PHE 971.A N GLN 967.A OE1 no hydrogen 2.972 N/A GLU 972.A N ILE 987.A O no hydrogen 2.942 N/A TYR 975.A N PHE 903.A O no hydrogen 2.700 N/A ASN 976.A N LYS 981.A O no hydrogen 2.954 N/A GLY 977.A N TYR 742.A OH no hydrogen 2.746 N/A HIS 978.A N ASN 976.A OD1 no hydrogen 3.351 N/A GLY 980.A N ASN 976.A O no hydrogen 2.972 N/A LEU 983.A N MET 974.A O no hydrogen 2.973 N/A ILE 987.A N GLU 972.A O no hydrogen 3.060 N/A PHE 989.A N GLY 970.A O no hydrogen 3.209 N/A GLY 990.A N VAL 737.A O no hydrogen 2.978 N/A THR 992.A N ALA 735.A O no hydrogen 2.885 N/A THR 992.A OG1 PRO 991.A O no hydrogen 2.815 N/A TYR 993.A N GLU 930.A OE1 no hydrogen 3.425 N/A TYR 993.A OH GLN 712.A O no hydrogen 2.872 N/A TYR 993.A OH GLY 732.A O no hydrogen 2.909 N/A TYR 994.A N GLN 733.A O no hydrogen 2.904 N/A TYR 994.A OH HIS 927.A NE2 no hydrogen 3.109 N/A GLN 995.A N ALA 883.A O no hydrogen 2.867 N/A ARG 996.A NH1 ASP 880.A OD2 no hydrogen 2.819 N/A ARG 996.A NH2 ASP 880.A OD2 no hydrogen 3.437 N/A LEU 997.A N LYS 881.A O no hydrogen 3.133 N/A VAL 1001.A N ASP 880.A OD1 no hydrogen 3.304 N/A LYS 1004.A N VAL 1001.A O no hydrogen 2.821 N/A LYS 1004.A NZ HIS 999.A ND1 no hydrogen 3.006 N/A ILE 1005.A N VAL 1001.A O no hydrogen 2.652 N/A HIS 1006.A NE2 GLY 1028.A O no hydrogen 2.420 N/A ARG 1008.A NH1 PRO 1012.A O no hydrogen 2.845 N/A ARG 1008.A NH2 PRO 1012.A O no hydrogen 3.026 N/A GLN 1014.A N GLN 1019.A O no hydrogen 2.495 N/A THR 1017.A OG1 GLN 1014.A OE1 no hydrogen 3.250 N/A ARG 1024.A NE ASP 1003.A O no hydrogen 2.890 N/A ARG 1024.A NH2 ASP 1003.A O no hydrogen 2.827 N/A ASP 1027.A N ARG 1024.A O no hydrogen 2.937 N/A GLY 1029.A N VAL 1021.A O no hydrogen 3.197 N/A GLU 1036.A N GLU 1036.A OE1 no hydrogen 2.800 N/A ARG 1037.A N GLY 1033.A O no hydrogen 2.741 N/A ARG 1037.A NE ASP 1038.A OD1 no hydrogen 3.024 N/A ARG 1037.A NH2 ASP 1038.A OD1 no hydrogen 2.358 N/A ASP 1038.A N GLU 1034.A O no hydrogen 2.877 N/A CYS 1039.A N MET 1035.A O no hydrogen 2.961 N/A MET 1040.A N GLU 1036.A O no hydrogen 2.850 N/A ILE 1041.A N ARG 1037.A O no hydrogen 2.860 N/A ALA 1042.A N ASP 1038.A O no hydrogen 2.978 N/A GLY 1044.A N ILE 1041.A O no hydrogen 2.810 N/A LEU 1049.A N ALA 1045.A O no hydrogen 3.226 N/A LYS 1050.A N ALA 1046.A O no hydrogen 2.927 N/A GLU 1051.A N SER 1047.A O no hydrogen 2.913 N/A ARG 1052.A N PHE 1048.A O no hydrogen 2.881 N/A LEU 1053.A N LEU 1049.A O no hydrogen 2.968 N/A MET 1054.A N LYS 1050.A O no hydrogen 2.778 N/A MET 1054.A N GLU 1051.A O no hydrogen 3.304 N/A ALA 1056.A N GLU 1051.A O no hydrogen 3.017 N/A SER 1057.A N MET 1054.A O no hydrogen 3.170 N/A SER 1057.A OG ALA 1056.A O no hydrogen 3.074 N/A ALA 1059.A N SER 1057.A O no hydrogen 2.740 N/A ARG 1061.A NH2 GLN 1095.A OE1 no hydrogen 2.425 N/A VAL 1062.A N ILE 1096.A O no hydrogen 2.941 N/A ILE 1064.A N TYR 1094.A O no hydrogen 2.909 N/A GLY 1066.A N ASP 1092.A O no hydrogen 3.195 N/A ILE 1074.A N GLU 1083.A O no hydrogen 3.115 N/A LYS 1076.A N GLN 1081.A O no hydrogen 3.058 N/A LYS 1076.A NZ GLN 1081.A OE1 no hydrogen 2.642 N/A ASN 1080.A N LEU 1077.A O no hydrogen 3.236 N/A GLN 1081.A N LYS 1076.A O no hydrogen 3.097 N/A GLU 1083.A N ILE 1074.A O no hydrogen 3.190 N/A CYS 1084.A N ASN 1089.A O no hydrogen 2.899 N/A ASN 1089.A ND2 ASP 1092.A O no hydrogen 2.397 N/A ILE 1091.A N ASN 1089.A OD1 no hydrogen 3.333 N/A ASP 1092.A N ASN 1089.A OD1 no hydrogen 2.807 N/A TYR 1094.A N ILE 1064.A O no hydrogen 2.925 N/A ILE 1096.A N VAL 1062.A O no hydrogen 2.902 N/A ILE 1098.A N PHE 1060.A O no hydrogen 2.938 N/A TYR 1100.A N ASP 1058.A O no hydrogen 2.487 N/A ALA 1101.A N ASP 1058.A OD1 no hydrogen 2.525 N/A LYS 1103.A N PRO 1099.A O no hydrogen 3.018 N/A LYS 1103.A NZ TYR 1100.A OH no hydrogen 3.463 N/A LYS 1103.A NZ GLN 1107.A OE1 no hydrogen 2.874 N/A LEU 1104.A N TYR 1100.A O no hydrogen 2.839 N/A LEU 1105.A N ALA 1101.A O no hydrogen 2.873 N/A PHE 1106.A N ALA 1102.A O no hydrogen 2.927 N/A GLN 1107.A N LYS 1103.A O no hydrogen 2.921 N/A GLU 1108.A N LEU 1104.A O no hydrogen 2.903 N/A LEU 1109.A N LEU 1105.A O no hydrogen 2.898 N/A MET 1110.A N PHE 1106.A O no hydrogen 2.923 N/A ALA 1111.A N GLN 1107.A O no hydrogen 2.895 N/A MET 1112.A N GLU 1108.A O no hydrogen 3.139 N/A ILE 1114.A N LEU 1109.A O no hydrogen 2.808 N/A THR 1115.A OG1 THR 1115.A O no hydrogen 2.600 N/A ARG 1117.A N THR 1115.A O no hydrogen 2.804 N/A ARG 1117.A NE CYS 1068.A O no hydrogen 2.483 N/A ARG 1117.A NH1 CYS 1068.A O no hydrogen 3.340 N/A LEU 1118.A N GLY 1069.A O no hydrogen 2.847 N/A