Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5x50_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ASP 4.A OD2 no hydrogen 2.872 N/A THR 1.A OG1 ASP 4.A OD2 no hydrogen 2.283 N/A ASP 4.A N THR 1.A O no hydrogen 3.401 N/A CYS 5.A SG THR 1.A O no hydrogen 3.665 N/A CYS 5.A SG THR 2.A O no hydrogen 2.886 N/A THR 7.A N ASP 4.A O no hydrogen 2.629 N/A VAL 8.A N ASP 4.A O no hydrogen 3.443 N/A ILE 9.A N CYS 5.A O no hydrogen 3.072 N/A SER 10.A N TRP 6.A O no hydrogen 2.660 N/A SER 10.A OG TRP 6.A O no hydrogen 3.305 N/A SER 10.A OG TYR 681.A OH no hydrogen 2.970 N/A ALA 11.A N THR 7.A O no hydrogen 2.833 N/A PHE 12.A N VAL 8.A O no hydrogen 3.206 N/A PHE 12.A N ILE 9.A O no hydrogen 2.969 N/A PHE 13.A N ILE 9.A O no hydrogen 3.387 N/A GLU 14.A N SER 10.A O no hydrogen 3.239 N/A GLU 15.A N PHE 12.A O no hydrogen 3.191 N/A LYS 16.A N PHE 12.A O no hydrogen 2.961 N/A SER 20.A N GLY 17.A O no hydrogen 3.110 N/A GLN 22.A NE2 GLN 21.A OE1 no hydrogen 3.284 N/A ASP 24.A N SER 20.A O no hydrogen 2.914 N/A SER 25.A N GLN 21.A O no hydrogen 2.705 N/A PHE 26.A N GLN 22.A O no hydrogen 2.986 N/A PHE 26.A N LEU 23.A O no hydrogen 2.661 N/A ASP 27.A N LEU 23.A O no hydrogen 2.829 N/A GLU 28.A N ASP 24.A O no hydrogen 3.106 N/A PHE 29.A N PHE 26.A O no hydrogen 2.681 N/A MET 30.A N PHE 26.A O no hydrogen 3.029 N/A THR 32.A OG1 GLU 28.A O no hydrogen 2.669 N/A SER 33.A OG GLU 28.A O no hydrogen 2.658 N/A ILE 34.A N PHE 29.A O no hydrogen 2.888 N/A GLN 35.A N THR 32.A O no hydrogen 2.925 N/A GLN 35.A NE2 GLN 35.A O no hydrogen 3.647 N/A LEU 37.A N SER 33.A O no hydrogen 3.168 N/A TRP 39.A N GLN 35.A O no hydrogen 3.133 N/A ILE 51.A N GLN 35.A OE1 no hydrogen 3.221 N/A TYR 52.A N TYR 85.A O no hydrogen 2.445 N/A TYR 52.A OH ASP 87.A OD2 no hydrogen 3.371 N/A ALA 61.A N GLN 813.A O no hydrogen 2.871 N/A GLU 72.A N PHE 69.A O no hydrogen 3.186 N/A ALA 73.A N PHE 69.A O no hydrogen 3.178 N/A ARG 74.A N PRO 70.A O no hydrogen 3.155 N/A ARG 74.A NH2 GLN 71.A OE1 no hydrogen 2.531 N/A ARG 76.A N GLU 72.A O no hydrogen 2.814 N/A ARG 76.A NH1 GLU 60.A OE1 no hydrogen 3.385 N/A ARG 76.A NH2 GLU 60.A OE2 no hydrogen 3.169 N/A ARG 76.A NH2 THR 811.A O no hydrogen 2.806 N/A ASN 77.A N ARG 74.A O no hydrogen 3.199 N/A ASN 77.A ND2 ARG 74.A O no hydrogen 3.008 N/A LEU 78.A N ALA 73.A O no hydrogen 2.822 N/A TYR 80.A N VAL 131.A O no hydrogen 3.432 N/A SER 81.A N THR 79.A O no hydrogen 2.707 N/A SER 82.A N VAL 97.A O no hydrogen 3.104 N/A SER 82.A OG SER 54.A O no hydrogen 3.064 N/A TYR 85.A N TYR 52.A O no hydrogen 2.494 N/A LEU 86.A N VAL 92.A O no hydrogen 3.362 N/A GLU 89.A N ARG 47.A O no hydrogen 2.838 N/A ILE 94.A N VAL 84.A O no hydrogen 2.662 N/A LYS 96.A N THR 362.A OG1 no hydrogen 2.934 N/A VAL 97.A N SER 82.A O no hydrogen 3.099 N/A ILE 99.A N TYR 80.A O no hydrogen 2.736 N/A LEU 101.A N TYR 129.A O no hydrogen 2.945 N/A SER 103.A N MET 100.A O no hydrogen 3.197 N/A SER 103.A OG MET 100.A O no hydrogen 2.507 N/A CYS 106.A SG TYR 80.A OH no hydrogen 3.014 N/A ARG 109.A N CYS 106.A O no hydrogen 2.927 N/A THR 110.A N SER 107.A O no hydrogen 3.375 N/A THR 110.A OG1 SER 107.A O no hydrogen 3.433 N/A LEU 116.A N ASP 112.A O no hydrogen 2.576 N/A TYR 117.A N GLU 113.A O no hydrogen 3.025 N/A LYS 118.A N VAL 114.A O no hydrogen 3.179 N/A MET 119.A N LEU 116.A O no hydrogen 2.400 N/A CYS 122.A SG THR 653.A OG1 no hydrogen 2.521 N/A ASP 125.A N CYS 122.A O no hydrogen 3.027 N/A GLY 128.A N LEU 101.A O no hydrogen 2.925 N/A TYR 129.A OH ASP 125.A OD2 no hydrogen 3.213 N/A TYR 129.A OH GLU 136.A OE1 no hydrogen 3.234 N/A PHE 130.A N LYS 137.A O no hydrogen 2.868 N/A LYS 137.A N PHE 130.A O no hydrogen 2.700 N/A LYS 137.A NZ SER 135.A OG no hydrogen 2.395 N/A ARG 144.A N ARG 321.A O no hydrogen 3.121 N/A ALA 146.A N LYS 319.A O no hydrogen 2.837 N/A ASN 148.A N ARG 168.A O no hydrogen 2.296 N/A ASN 148.A ND2 ALA 170.A O no hydrogen 3.485 N/A PHE 153.A N VAL 164.A O no hydrogen 2.591 N/A LYS 154.A N GLN 311.A OE1 no hydrogen 3.172 N/A LYS 155.A N SER 162.A O no hydrogen 2.747 N/A SER 159.A N ALA 157.A O no hydrogen 3.089 N/A ILE 161.A N SER 159.A OG no hydrogen 3.422 N/A SER 162.A N LEU 185.A O no hydrogen 2.840 N/A VAL 164.A N PHE 153.A O no hydrogen 2.744 N/A ALA 165.A N ILE 183.A O no hydrogen 3.535 N/A ILE 167.A N MET 181.A O no hydrogen 3.394 N/A SER 169.A OG SER 179.A O no hydrogen 3.283 N/A ARG 176.A N GLY 174.A O no hydrogen 2.734 N/A MET 181.A N ILE 167.A O no hydrogen 3.214 N/A ILE 183.A N ALA 165.A O no hydrogen 3.325 N/A TYR 186.A OH ASP 205.A OD2 no hydrogen 3.270 N/A ARG 188.A NE LYS 155.A O no hydrogen 3.089 N/A ARG 188.A NE ILE 161.A O no hydrogen 3.010 N/A ARG 188.A NH2 LYS 155.A O no hydrogen 3.098 N/A ARG 188.A NH2 SER 162.A O no hydrogen 2.729 N/A ASP 190.A N ARG 188.A O no hydrogen 2.443 N/A ALA 197.A N ILE 206.A O no hydrogen 2.795 N/A THR 198.A N GLN 182.A O no hydrogen 2.367 N/A THR 198.A OG1 ASP 205.A OD1 no hydrogen 2.730 N/A VAL 202.A N LEU 199.A O no hydrogen 3.216 N/A ILE 206.A N ALA 197.A O no hydrogen 2.953 N/A ILE 210.A N PRO 207.A O no hydrogen 3.035 N/A PHE 212.A N VAL 209.A O no hydrogen 3.002 N/A ARG 213.A N VAL 209.A O no hydrogen 3.467 N/A ARG 213.A NE VAL 218.A O no hydrogen 3.585 N/A ALA 214.A N ILE 210.A O no hydrogen 2.681 N/A LEU 215.A N PHE 212.A O no hydrogen 2.983 N/A GLY 216.A N PHE 212.A O no hydrogen 3.272 N/A VAL 217.A N PHE 212.A O no hydrogen 3.187 N/A GLU 222.A N ASP 220.A O no hydrogen 2.407 N/A HIS 226.A N ILE 223.A O no hydrogen 2.938 N/A ILE 227.A N ILE 223.A O no hydrogen 3.157 N/A CYS 228.A N LEU 224.A O no hydrogen 2.950 N/A CYS 228.A SG ASP 230.A O no hydrogen 3.165 N/A ASN 232.A N ASP 230.A OD1 no hydrogen 2.962 N/A MET 236.A N ASP 233.A OD1 no hydrogen 3.465 N/A GLU 238.A N TRP 234.A O no hydrogen 2.906 N/A LYS 241.A N GLU 238.A O no hydrogen 2.834 N/A CYS 243.A N LEU 240.A O no hydrogen 2.853 N/A ILE 244.A N LEU 240.A O no hydrogen 3.294 N/A GLU 246.A N CYS 243.A O no hydrogen 2.885 N/A PHE 248.A N GLU 245.A O no hydrogen 3.244 N/A ILE 250.A N GLY 247.A O no hydrogen 2.785 N/A GLU 254.A N ASP 252.A OD2 no hydrogen 3.291 N/A ALA 256.A N ASP 252.A O no hydrogen 3.240 N/A LEU 257.A N LYS 253.A O no hydrogen 3.193 N/A ASP 258.A N GLU 254.A O no hydrogen 3.034 N/A PHE 259.A N VAL 255.A O no hydrogen 2.984 N/A ARG 264.A NE ASP 258.A OD1 no hydrogen 2.509 N/A GLN 266.A N GLU 262.A O no hydrogen 3.024 N/A GLN 266.A NE2 GLN 266.A O no hydrogen 3.607 N/A TYR 267.A N LYS 263.A O no hydrogen 3.033 N/A ALA 268.A N ARG 264.A O no hydrogen 2.301 N/A LYS 269.A N ILE 265.A O no hydrogen 3.345 N/A ILE 271.A N TYR 267.A O no hydrogen 3.144 N/A LEU 272.A N LYS 269.A O no hydrogen 2.608 N/A GLN 273.A N LYS 269.A O no hydrogen 3.154 N/A GLN 273.A N ASP 270.A O no hydrogen 2.806 N/A LYS 274.A N ASP 270.A O no hydrogen 2.884 N/A LEU 276.A N ILE 271.A O no hydrogen 2.999 N/A THR 281.A N HIS 279.A O no hydrogen 2.702 N/A PHE 286.A N GLU 284.A O no hydrogen 2.757 N/A THR 288.A OG1 GLU 469.A OE1 no hydrogen 3.431 N/A THR 288.A OG1 GLU 469.A OE2 no hydrogen 2.774 N/A LYS 290.A NZ THR 281.A O no hydrogen 3.405 N/A PHE 292.A N THR 288.A O no hydrogen 3.388 N/A PHE 293.A N ARG 289.A O no hydrogen 3.097 N/A LEU 294.A N LYS 290.A O no hydrogen 2.800 N/A TYR 296.A N PHE 292.A O no hydrogen 3.048 N/A TYR 296.A OH GLU 525.A OE2 no hydrogen 3.222 N/A MET 297.A N PHE 293.A O no hydrogen 2.798 N/A ASN 299.A N GLY 295.A O no hydrogen 3.142 N/A ARG 300.A N TYR 296.A O no hydrogen 3.095 N/A LEU 301.A N MET 297.A O no hydrogen 2.903 N/A LEU 302.A N VAL 298.A O no hydrogen 3.332 N/A LEU 303.A N ASN 299.A O no hydrogen 2.965 N/A CYS 304.A N LEU 301.A O no hydrogen 2.863 N/A CYS 304.A SG LYS 309.A O no hydrogen 3.211 N/A ALA 305.A N LEU 301.A O no hydrogen 2.997 N/A GLU 307.A N CYS 304.A O no hydrogen 2.733 N/A ASP 312.A N VAL 152.A O no hydrogen 3.256 N/A ASP 315.A N ASP 313.A OD1 no hydrogen 3.254 N/A HIS 316.A N ASP 313.A O no hydrogen 3.209 N/A PHE 317.A N THR 419.A OG1 no hydrogen 3.046 N/A GLY 318.A N HIS 316.A ND1 no hydrogen 3.302 N/A LYS 319.A N HIS 316.A O no hydrogen 2.685 N/A LYS 319.A NZ ASP 312.A OD1 no hydrogen 3.173 N/A LYS 320.A N PHE 317.A O no hydrogen 2.821 N/A LYS 320.A NZ GLU 143.A OE2 no hydrogen 2.702 N/A ARG 321.A N ARG 144.A O no hydrogen 2.907 N/A ARG 321.A NH1 GLY 318.A O no hydrogen 3.117 N/A ARG 321.A NH1 LYS 320.A O no hydrogen 3.499 N/A LEU 322.A N GLY 533.A O no hydrogen 3.099 N/A ASP 323.A N GLN 142.A O no hydrogen 3.066 N/A GLY 326.A N SER 25.A OG no hydrogen 3.218 N/A LEU 328.A N LEU 324.A O no hydrogen 3.333 N/A LEU 329.A N ALA 325.A O no hydrogen 3.365 N/A ALA 330.A N PRO 327.A O no hydrogen 3.040 N/A LEU 332.A N LEU 328.A O no hydrogen 3.375 N/A ARG 334.A N ALA 330.A O no hydrogen 2.842 N/A LEU 336.A N LEU 332.A O no hydrogen 3.252 N/A PHE 337.A N PHE 333.A O no hydrogen 2.595 N/A ARG 338.A N ARG 334.A O no hydrogen 2.623 N/A LYS 339.A N LEU 336.A O no hydrogen 2.418 N/A LYS 339.A NZ GLU 376.A OE1 no hydrogen 2.537 N/A LEU 340.A N LEU 336.A O no hydrogen 2.776 N/A THR 341.A N PHE 337.A O no hydrogen 2.472 N/A THR 341.A OG1 PHE 337.A O no hydrogen 2.566 N/A ARG 342.A N ARG 338.A O no hydrogen 3.213 N/A GLU 343.A N LEU 340.A O no hydrogen 2.978 N/A ILE 344.A N LEU 340.A O no hydrogen 3.045 N/A ARG 346.A N GLU 343.A O no hydrogen 2.690 N/A TYR 347.A N GLU 343.A O no hydrogen 3.329 N/A GLN 349.A N ARG 346.A O no hydrogen 2.842 N/A CYS 351.A N TYR 347.A O no hydrogen 3.210 N/A CYS 351.A SG TYR 347.A O no hydrogen 2.946 N/A THR 359.A N LYS 357.A O no hydrogen 2.559 N/A THR 360.A N LYS 357.A O no hydrogen 3.416 N/A THR 362.A N THR 359.A O no hydrogen 3.116 N/A THR 362.A OG1 SER 358.A O no hydrogen 3.081 N/A SER 363.A N THR 359.A O no hydrogen 2.523 N/A SER 363.A OG THR 359.A O no hydrogen 2.951 N/A GLY 364.A N THR 360.A O no hydrogen 3.161 N/A LYS 366.A N THR 362.A O no hydrogen 3.219 N/A TYR 367.A N SER 363.A O no hydrogen 2.982 N/A TYR 367.A OH ASN 373.A OD1 no hydrogen 3.372 N/A LEU 369.A N LEU 365.A O no hydrogen 3.285 N/A ALA 370.A N LYS 366.A O no hydrogen 2.769 N/A THR 371.A N TYR 367.A O no hydrogen 3.015 N/A THR 371.A OG1 TYR 367.A O no hydrogen 2.780 N/A THR 371.A OG1 SER 368.A O no hydrogen 3.376 N/A ASN 373.A N THR 371.A OG1 no hydrogen 3.376 N/A ALA 380.A N GLN 377.A O no hydrogen 3.199 N/A SER 383.A N MET 381.A O no hydrogen 2.426 N/A SER 383.A OG MET 381.A O no hydrogen 3.128 N/A SER 388.A OG LEU 369.A O no hydrogen 2.686 N/A ASN 392.A N HIS 402.A ND1 no hydrogen 3.212 N/A ASN 392.A ND2 SER 398.A OG no hydrogen 3.068 N/A ARG 393.A NE GLU 136.A OE2 no hydrogen 2.604 N/A ARG 393.A NH2 GLU 136.A OE2 no hydrogen 2.856 N/A TYR 396.A OH TYR 124.A O no hydrogen 3.005 N/A SER 398.A N THR 395.A O no hydrogen 3.142 N/A THR 399.A N THR 395.A O no hydrogen 3.225 N/A THR 399.A OG1 ASN 392.A O no hydrogen 2.551 N/A THR 399.A OG1 THR 395.A O no hydrogen 3.321 N/A LEU 400.A N TYR 396.A O no hydrogen 2.965 N/A SER 401.A N SER 397.A O no hydrogen 3.402 N/A SER 401.A OG GLU 428.A OE2 no hydrogen 2.646 N/A SER 401.A OG ASN 440.A OD1 no hydrogen 3.347 N/A HIS 402.A N SER 398.A O no hydrogen 3.095 N/A HIS 402.A NE2 GLN 389.A OE1 no hydrogen 2.775 N/A LEU 403.A N THR 399.A O no hydrogen 3.330 N/A ARG 404.A N LEU 400.A O no hydrogen 3.216 N/A ARG 404.A NH2 LEU 18.A O no hydrogen 2.868 N/A ARG 405.A N HIS 402.A O no hydrogen 3.304 N/A ARG 405.A NE ASN 440.A OD1 no hydrogen 3.509 N/A ARG 405.A NH2 SER 401.A OG no hydrogen 3.187 N/A THR 406.A N LYS 439.A O no hydrogen 2.545 N/A ASN 407.A N ALA 141.A O no hydrogen 2.841 N/A THR 408.A OG1 ASN 407.A O no hydrogen 2.375 N/A GLN 415.A N LYS 412.A O no hydrogen 3.267 N/A THR 419.A OG1 ASP 315.A O no hydrogen 3.486 N/A TRP 421.A N ASN 418.A O no hydrogen 2.744 N/A VAL 424.A N HIS 420.A O no hydrogen 2.974 N/A CYS 425.A N ASN 440.A O no hydrogen 3.094 N/A THR 429.A OG1 VAL 438.A O no hydrogen 3.101 N/A LYS 439.A N THR 406.A O no hydrogen 2.991 N/A LYS 439.A NZ THR 408.A OG1 no hydrogen 2.926 N/A LYS 439.A NZ GLY 436.A O no hydrogen 3.169 N/A ASN 440.A ND2 GLU 428.A O no hydrogen 3.492 N/A LEU 441.A N ARG 404.A O no hydrogen 3.054 N/A SER 442.A N LEU 423.A O no hydrogen 2.967 N/A SER 442.A OG GLY 422.A O no hydrogen 2.874 N/A SER 442.A OG ILE 618.A O no hydrogen 2.629 N/A SER 445.A OG LEU 423.A O no hydrogen 3.048 N/A SER 445.A OG SER 442.A O no hydrogen 2.997 N/A GLY 446.A N TYR 536.A O no hydrogen 2.936 N/A SER 448.A N ARG 534.A O no hydrogen 3.021 N/A SER 448.A OG ASP 531.A O no hydrogen 2.979 N/A GLY 450.A N GLU 514.A OE1 no hydrogen 2.787 N/A SER 451.A OG GLU 514.A OE1 no hydrogen 2.989 N/A ILE 456.A N SER 453.A O no hydrogen 2.937 N/A ILE 457.A N SER 453.A O no hydrogen 3.075 N/A ASN 458.A N GLU 454.A O no hydrogen 2.699 N/A LEU 460.A N ILE 457.A O no hydrogen 3.077 N/A GLU 461.A N ILE 457.A O no hydrogen 2.943 N/A GLU 462.A N LEU 460.A O no hydrogen 2.430 N/A TRP 463.A N LEU 460.A O no hydrogen 2.743 N/A GLU 466.A N GLY 464.A O no hydrogen 3.258 N/A HIS 476.A N ASP 472.A O no hydrogen 2.668 N/A ARG 481.A NH1 GLU 523.A O no hydrogen 2.902 N/A ARG 481.A NH2 GLU 523.A O no hydrogen 2.684 N/A ILE 482.A N GLY 490.A O no hydrogen 3.430 N/A PHE 483.A N PHE 526.A O no hydrogen 2.495 N/A VAL 484.A N VAL 487.A O no hydrogen 2.514 N/A ASN 485.A N ILE 528.A O no hydrogen 2.499 N/A ASN 485.A ND2 GLU 172.A OE2 no hydrogen 2.722 N/A VAL 487.A N VAL 484.A O no hydrogen 2.540 N/A HIS 492.A N THR 480.A O no hydrogen 2.778 N/A HIS 492.A NE2 ASP 494.A O no hydrogen 2.935 N/A VAL 499.A N PRO 495.A O no hydrogen 2.760 N/A THR 501.A N VAL 499.A O no hydrogen 2.545 N/A THR 501.A OG1 MET 497.A O no hydrogen 2.760 N/A MET 502.A N VAL 499.A O no hydrogen 3.115 N/A ARG 503.A N VAL 499.A O no hydrogen 3.420 N/A ARG 503.A NH2 ILE 517.A O no hydrogen 2.379 N/A ASP 504.A N THR 501.A O no hydrogen 3.133 N/A LEU 505.A N THR 501.A O no hydrogen 2.824 N/A LEU 505.A N MET 502.A O no hydrogen 2.900 N/A ARG 506.A N MET 502.A O no hydrogen 2.899 N/A ARG 507.A N ARG 503.A O no hydrogen 3.332 N/A SER 508.A N LEU 505.A O no hydrogen 3.360 N/A GLY 509.A N LEU 505.A O no hydrogen 3.169 N/A ALA 510.A N LEU 505.A O no hydrogen 3.308 N/A VAL 515.A N SER 512.A O no hydrogen 3.174 N/A SER 516.A N PHE 529.A O no hydrogen 2.619 N/A ILE 517.A N GLU 582.A OE1 no hydrogen 3.048 N/A ILE 518.A N LYS 527.A O no hydrogen 2.599 N/A ASP 520.A N GLU 525.A O no hydrogen 2.757 N/A GLU 523.A N ASP 520.A O no hydrogen 3.065 N/A ARG 524.A N ILE 521.A O no hydrogen 2.706 N/A GLU 525.A N ASP 520.A O no hydrogen 3.137 N/A LYS 527.A N ILE 518.A O no hydrogen 2.336 N/A PHE 529.A N SER 516.A O no hydrogen 2.767 N/A THR 530.A N ASN 485.A OD1 no hydrogen 2.765 N/A VAL 532.A N ASP 531.A OD1 no hydrogen 2.895 N/A GLY 533.A N SER 448.A OG no hydrogen 2.357 N/A ARG 534.A N SER 448.A OG no hydrogen 2.687 N/A ARG 534.A NE ASP 531.A O no hydrogen 3.196 N/A ARG 534.A NH1 GLU 514.A O no hydrogen 3.186 N/A ARG 534.A NH2 GLU 514.A O no hydrogen 2.369 N/A ARG 534.A NH2 THR 530.A O no hydrogen 3.049 N/A TYR 536.A N GLY 446.A O no hydrogen 2.796 N/A TYR 536.A OH ILE 447.A O no hydrogen 3.317 N/A ARG 537.A NH1 GLU 612.A OE2 no hydrogen 2.558 N/A ARG 537.A NH2 GLU 583.A OE2 no hydrogen 3.492 N/A ARG 537.A NH2 GLU 612.A OE1 no hydrogen 3.424 N/A ARG 537.A NH2 GLU 612.A OE2 no hydrogen 2.982 N/A LEU 539.A N GLU 576.A O no hydrogen 2.951 N/A PHE 540.A N CYS 611.A O no hydrogen 3.269 N/A ASP 545.A N GLU 543.A O no hydrogen 2.814 N/A GLU 546.A N ASP 544.A O no hydrogen 2.607 N/A GLU 557.A N THR 555.A OG1 no hydrogen 2.839 N/A HIS 558.A N THR 555.A O no hydrogen 2.971 N/A ILE 559.A N THR 555.A O no hydrogen 3.408 N/A ARG 560.A N LYS 556.A O no hydrogen 3.451 N/A LYS 561.A N HIS 558.A O no hydrogen 3.207 N/A ILE 562.A N ILE 559.A O no hydrogen 2.646 N/A TRP 566.A N GLU 15.A OE1 no hydrogen 2.394 N/A TRP 566.A NE1 TYR 577.A OH no hydrogen 3.290 N/A SER 567.A N GLU 15.A OE1 no hydrogen 3.468 N/A SER 568.A OG GLY 565.A O no hydrogen 3.075 N/A THR 571.A N SER 567.A O no hydrogen 2.883 N/A THR 571.A OG1 SER 567.A O no hydrogen 2.312 N/A SER 572.A OG SER 568.A O no hydrogen 3.194 N/A GLY 573.A N VAL 570.A O no hydrogen 3.250 N/A GLU 576.A N LEU 539.A O no hydrogen 3.082 N/A VAL 578.A N ARG 537.A O no hydrogen 2.876 N/A GLU 581.A N ASP 579.A OD2 no hydrogen 3.209 N/A GLU 582.A N ASP 579.A OD1 no hydrogen 3.282 N/A GLU 583.A N ASP 579.A O no hydrogen 3.105 N/A GLU 584.A N GLU 581.A O no hydrogen 3.189 N/A THR 585.A N GLU 582.A O no hydrogen 3.155 N/A ILE 586.A N GLU 583.A O no hydrogen 2.922 N/A MET 587.A N THR 609.A OG1 no hydrogen 2.922 N/A ALA 589.A N HIS 610.A O no hydrogen 2.459 N/A GLN 596.A N ASP 594.A O no hydrogen 2.742 N/A THR 609.A N MET 587.A O no hydrogen 3.203 N/A THR 609.A OG1 MET 587.A O no hydrogen 2.271 N/A THR 609.A OG1 HIS 610.A ND1 no hydrogen 2.911 N/A HIS 610.A N MET 587.A O no hydrogen 3.139 N/A HIS 610.A ND1 THR 609.A OG1 no hydrogen 2.911 N/A CYS 611.A N PHE 540.A O no hydrogen 3.357 N/A CYS 611.A SG ALA 589.A O no hydrogen 3.590 N/A CYS 611.A SG MET 590.A O no hydrogen 3.268 N/A CYS 611.A SG GLU 612.A O no hydrogen 3.565 N/A GLU 612.A N ALA 589.A O no hydrogen 2.902 N/A MET 617.A N HIS 614.A O no hydrogen 3.072 N/A ILE 618.A N PRO 615.A O no hydrogen 3.248 N/A SER 624.A N GLY 620.A O no hydrogen 3.066 N/A SER 624.A OG GLY 620.A O no hydrogen 2.649 N/A ILE 625.A N ALA 622.A O no hydrogen 3.471 N/A ILE 626.A N ALA 623.A O no hydrogen 2.813 N/A ASN 632.A ND2 ASN 637.A OD1 no hydrogen 3.357 N/A ASN 632.A ND2 HIS 839.A ND1 no hydrogen 3.300 N/A ARG 636.A N GLN 633.A O no hydrogen 2.892 N/A ASN 637.A ND2 PRO 629.A O no hydrogen 2.928 N/A THR 638.A N SER 634.A O no hydrogen 3.303 N/A THR 638.A OG1 SER 634.A O no hydrogen 3.405 N/A TYR 639.A N ARG 636.A O no hydrogen 2.630 N/A GLN 640.A N ARG 636.A O no hydrogen 3.246 N/A GLN 640.A NE2 GLN 948.A OE1 no hydrogen 3.149 N/A SER 641.A N ASN 637.A O no hydrogen 2.874 N/A SER 641.A OG ASN 637.A O no hydrogen 2.707 N/A ALA 642.A N TYR 639.A O no hydrogen 2.630 N/A MET 643.A N TYR 639.A O no hydrogen 3.005 N/A GLY 644.A N GLN 640.A O no hydrogen 2.912 N/A LYS 645.A N ALA 642.A O no hydrogen 2.990 N/A GLN 646.A N MET 643.A O no hydrogen 2.824 N/A ALA 647.A N GLY 644.A O no hydrogen 3.268 N/A ASN 656.A ND2 ASN 656.A O no hydrogen 2.689 N/A VAL 657.A N ASN 654.A O no hydrogen 2.562 N/A ARG 658.A N TYR 655.A O no hydrogen 3.265 N/A ILE 665.A N LEU 724.A O no hydrogen 3.063 N/A LEU 666.A N GLY 649.A O no hydrogen 2.706 N/A TYR 667.A N ARG 722.A O no hydrogen 2.580 N/A TYR 667.A OH THR 826.A OG1 no hydrogen 2.904 N/A LEU 673.A N ASN 692.A OD1 no hydrogen 3.409 N/A LYS 675.A N GLY 897.A O no hydrogen 2.809 N/A GLN 677.A N THR 900.A OG1 no hydrogen 2.943 N/A MET 679.A N THR 676.A O no hydrogen 3.007 N/A GLU 680.A N GLN 677.A O no hydrogen 3.313 N/A TYR 681.A N ALA 678.A O no hydrogen 2.884 N/A TYR 681.A OH TRP 6.A O no hydrogen 2.823 N/A TYR 681.A OH SER 10.A OG no hydrogen 2.970 N/A LEU 682.A N MET 679.A O no hydrogen 2.689 N/A GLU 686.A N LYS 683.A O no hydrogen 2.886 N/A LEU 687.A N PHE 684.A O no hydrogen 2.836 N/A GLN 691.A N TYR 947.A O no hydrogen 2.943 N/A ASN 692.A N GLN 670.A OE1 no hydrogen 2.672 N/A ASN 692.A ND2 LYS 671.A O no hydrogen 3.134 N/A ILE 694.A N ASP 864.A OD2 no hydrogen 3.372 N/A VAL 695.A N ALA 693.A O no hydrogen 2.881 N/A ILE 697.A N PHE 941.A O no hydrogen 3.445 N/A TYR 700.A OH ASP 853.A O no hydrogen 2.703 N/A GLN 705.A NE2 GLY 702.A O no hydrogen 2.735 N/A SER 708.A N GLN 705.A O no hydrogen 3.103 N/A SER 708.A OG TYR 703.A O no hydrogen 3.076 N/A SER 708.A OG GLN 705.A O no hydrogen 2.244 N/A MET 709.A N THR 844.A O no hydrogen 2.623 N/A ILE 710.A N ILE 866.A O no hydrogen 3.267 N/A MET 711.A N VAL 847.A O no hydrogen 3.441 N/A ASN 712.A N ASP 864.A O no hydrogen 2.850 N/A ASN 712.A ND2 PRO 863.A O no hydrogen 3.438 N/A ASN 712.A ND2 ASP 864.A OD1 no hydrogen 3.458 N/A GLN 713.A N TYR 849.A O no hydrogen 2.471 N/A GLN 713.A NE2 ASP 717.A OD1 no hydrogen 2.413 N/A SER 715.A N ASN 712.A O no hydrogen 3.151 N/A SER 715.A OG ASN 712.A O no hydrogen 3.124 N/A SER 715.A OG ASP 864.A OD1 no hydrogen 2.879 N/A ILE 716.A N ASN 712.A O no hydrogen 3.320 N/A ILE 716.A N GLN 713.A O no hydrogen 2.552 N/A ASP 717.A N GLN 713.A O no hydrogen 2.918 N/A ASP 717.A N SER 714.A O no hydrogen 3.269 N/A ARG 718.A N SER 714.A O no hydrogen 3.227 N/A LEU 720.A N SER 715.A O no hydrogen 2.972 N/A ARG 722.A NE ILE 716.A O no hydrogen 3.472 N/A SER 723.A N LYS 827.A O no hydrogen 2.861 N/A LEU 724.A N ILE 665.A O no hydrogen 2.673 N/A PHE 725.A N THR 825.A O no hydrogen 2.594 N/A PHE 726.A N ALA 663.A O no hydrogen 2.657 N/A ARG 727.A N MET 823.A O no hydrogen 3.252 N/A ARG 727.A NH1 GLU 800.A OE1 no hydrogen 2.776 N/A SER 728.A OG ASP 660.A O no hydrogen 2.653 N/A ASP 731.A N VAL 819.A O no hydrogen 2.865 N/A LYS 734.A N GLU 742.A OE1 no hydrogen 2.555 N/A GLU 743.A N THR 785.A O no hydrogen 3.387 N/A LYS 746.A NZ LEU 763.A O no hydrogen 2.955 N/A THR 752.A N ALA 750.A O no hydrogen 2.403 N/A LYS 756.A N TYR 760.A OH no hydrogen 3.212 N/A TYR 760.A OH ASP 791.A OD2 no hydrogen 2.992 N/A LYS 762.A NZ ASP 779.A OD2 no hydrogen 3.077 N/A LEU 763.A N TYR 760.A O no hydrogen 2.803 N/A ASP 764.A N LEU 768.A O no hydrogen 3.114 N/A GLY 767.A N ASP 764.A O no hydrogen 3.140 N/A SER 776.A OG ASP 779.A OD1 no hydrogen 3.529 N/A ASP 778.A N ASP 779.A OD1 no hydrogen 3.192 N/A ILE 781.A N THR 794.A O no hydrogen 2.595 N/A ILE 782.A N THR 794.A O no hydrogen 3.097 N/A LYS 784.A N SER 793.A OG no hydrogen 2.601 N/A LYS 784.A NZ ASP 731.A OD1 no hydrogen 3.262 N/A THR 785.A N GLU 743.A O no hydrogen 3.142 N/A THR 786.A N ARG 790.A O no hydrogen 2.844 N/A THR 786.A OG1 GLU 742.A OE2 no hydrogen 3.297 N/A ASP 791.A N ARG 754.A O no hydrogen 2.478 N/A ALA 792.A N LYS 784.A O no hydrogen 2.732 N/A SER 793.A N ASP 791.A OD1 no hydrogen 2.556 N/A SER 793.A OG LYS 784.A O no hydrogen 2.998 N/A SER 793.A OG ASP 791.A OD2 no hydrogen 2.586 N/A LEU 796.A N ASP 779.A O no hydrogen 2.958 N/A GLU 800.A N ARG 797.A O no hydrogen 2.865 N/A ILE 803.A N ARG 824.A O no hydrogen 3.090 N/A ASP 805.A N ARG 822.A O no hydrogen 2.907 N/A LEU 808.A N LYS 820.A O no hydrogen 3.206 N/A THR 810.A N PHE 818.A O no hydrogen 2.490 N/A THR 810.A OG1 LEU 809.A O no hydrogen 2.455 N/A GLN 813.A N ASN 812.A OD1 no hydrogen 2.617 N/A GLY 815.A N ASN 812.A O no hydrogen 2.678 N/A PHE 818.A N THR 810.A O no hydrogen 2.355 N/A VAL 819.A N ASP 731.A O no hydrogen 3.124 N/A LYS 820.A N LEU 808.A O no hydrogen 3.156 N/A LYS 820.A NZ LEU 75.A O no hydrogen 3.205 N/A LYS 820.A NZ MET 659.A O no hydrogen 3.448 N/A VAL 821.A N TYR 729.A O no hydrogen 2.668 N/A ARG 822.A N GLN 806.A O no hydrogen 3.143 N/A ARG 822.A NH1 ARG 658.A O no hydrogen 2.824 N/A ARG 822.A NH2 ASN 656.A O no hydrogen 3.102 N/A ARG 822.A NH2 ASP 805.A OD2 no hydrogen 3.067 N/A MET 823.A N ARG 727.A O no hydrogen 3.043 N/A ARG 824.A N ILE 803.A O no hydrogen 2.779 N/A ARG 824.A NE ASP 805.A OD1 no hydrogen 3.097 N/A ARG 824.A NH2 ASP 805.A OD1 no hydrogen 2.508 N/A THR 826.A OG1 TYR 667.A OH no hydrogen 2.904 N/A LYS 827.A N SER 723.A O no hydrogen 2.444 N/A LYS 827.A NZ ASP 956.A OD1 no hydrogen 3.388 N/A LYS 827.A NZ ASP 956.A OD2 no hydrogen 2.958 N/A GLN 830.A N ASP 833.A OD2 no hydrogen 2.733 N/A GLY 832.A N GLN 830.A O no hydrogen 2.353 N/A ASP 833.A N GLN 830.A O no hydrogen 2.893 N/A PHE 835.A N GLY 843.A O no hydrogen 2.631 N/A ALA 836.A N GLN 948.A O no hydrogen 3.352 N/A ARG 838.A NE ILE 625.A O no hydrogen 3.558 N/A ARG 838.A NH2 ILE 625.A O no hydrogen 3.482 N/A ARG 838.A NH2 ALA 674.A O no hydrogen 3.226 N/A HIS 839.A NE2 GLU 883.A OE2 no hydrogen 2.387 N/A GLN 841.A NE2 ALA 871.A O no hydrogen 2.519 N/A GLY 843.A N PHE 835.A O no hydrogen 2.731 N/A THR 844.A OG1 ILE 845.A O no hydrogen 3.538 N/A ILE 845.A N ASP 833.A O no hydrogen 3.301 N/A GLY 846.A N MET 709.A O no hydrogen 3.069 N/A THR 848.A OG1 GLN 713.A OE1 no hydrogen 2.969 N/A HIS 851.A N SER 714.A OG no hydrogen 2.954 N/A MET 854.A N ARG 850.A O no hydrogen 3.198 N/A SER 857.A N ILE 861.A O no hydrogen 3.177 N/A SER 857.A OG GLU 925.A OE2 no hydrogen 2.806 N/A GLY 860.A N SER 857.A O no hydrogen 2.468 N/A ASP 864.A N ILE 694.A O no hydrogen 2.882 N/A LEU 865.A N ILE 694.A O no hydrogen 3.188 N/A ILE 866.A N ILE 710.A O no hydrogen 3.074 N/A HIS 870.A N ASN 868.A OD1 no hydrogen 2.563 N/A ALA 871.A N ASN 868.A O no hydrogen 3.066 N/A ILE 872.A N PRO 869.A O no hydrogen 3.261 N/A ARG 875.A NH2 ASP 707.A OD2 no hydrogen 2.317 N/A MET 876.A N ILE 872.A O no hydrogen 2.792 N/A THR 877.A OG1 ASN 632.A OD1 no hydrogen 3.018 N/A VAL 878.A N HIS 631.A O no hydrogen 3.399 N/A ILE 882.A N VAL 878.A O no hydrogen 3.126 N/A GLU 883.A N ALA 879.A O no hydrogen 2.440 N/A CYS 884.A N HIS 880.A O no hydrogen 2.931 N/A CYS 884.A SG GLY 943.A O no hydrogen 3.153 N/A CYS 884.A SG THR 945.A OG1 no hydrogen 3.662 N/A LEU 885.A N LEU 881.A O no hydrogen 3.202 N/A LEU 886.A N ILE 882.A O no hydrogen 2.982 N/A SER 887.A N GLU 883.A O no hydrogen 2.949 N/A SER 887.A OG GLU 883.A O no hydrogen 3.044 N/A LYS 888.A N LEU 885.A O no hydrogen 2.654 N/A LYS 888.A NZ GLY 923.A O no hydrogen 2.325 N/A LYS 888.A NZ GLU 925.A OE1 no hydrogen 3.339 N/A LYS 888.A NZ PHE 942.A O no hydrogen 2.713 N/A VAL 889.A N LEU 885.A O no hydrogen 3.088 N/A VAL 889.A N LEU 886.A O no hydrogen 2.798 N/A GLY 890.A N LEU 886.A O no hydrogen 3.039 N/A ARG 893.A N VAL 889.A O no hydrogen 2.641 N/A ALA 899.A N LYS 675.A O no hydrogen 2.439 N/A THR 900.A N LYS 675.A O no hydrogen 3.303 N/A THR 900.A OG1 ASP 898.A OD1 no hydrogen 2.677 N/A THR 900.A OG1 ASP 898.A OD2 no hydrogen 3.008 N/A THR 903.A N PRO 901.A O no hydrogen 3.159 N/A ALA 909.A N THR 906.A OG1 no hydrogen 3.189 N/A VAL 910.A N THR 906.A O no hydrogen 3.068 N/A SER 911.A N VAL 907.A O no hydrogen 3.005 N/A SER 911.A OG VAL 907.A O no hydrogen 2.481 N/A SER 911.A OG SER 921.A O no hydrogen 3.059 N/A ASN 912.A N ALA 909.A O no hydrogen 2.962 N/A LEU 913.A N ALA 909.A O no hydrogen 3.328 N/A LEU 914.A N VAL 910.A O no hydrogen 3.058 N/A ARG 915.A N ASN 912.A O no hydrogen 3.061 N/A ASP 916.A N ASN 912.A O no hydrogen 3.085 N/A ASP 916.A N LEU 913.A O no hydrogen 3.333 N/A TYR 919.A OH GLU 859.A OE1 no hydrogen 3.330 N/A ARG 922.A NH1 SER 911.A OG no hydrogen 2.589 N/A GLY 923.A N GLN 920.A O no hydrogen 3.304 N/A GLU 925.A N VAL 940.A O no hydrogen 3.166 N/A TYR 928.A N PHE 856.A O no hydrogen 3.121 N/A ASN 929.A N LYS 934.A O no hydrogen 2.953 N/A GLY 930.A N TYR 700.A OH no hydrogen 3.124 N/A HIS 931.A N ASN 929.A OD1 no hydrogen 2.943 N/A THR 932.A N ASN 929.A O no hydrogen 2.970 N/A THR 932.A N ASN 929.A OD1 no hydrogen 3.151 N/A THR 932.A OG1 ASN 929.A OD1 no hydrogen 3.216 N/A GLY 933.A N ASN 929.A O no hydrogen 2.767 N/A LEU 936.A N MET 927.A O no hydrogen 2.795 N/A VAL 940.A N GLU 925.A O no hydrogen 3.376 N/A PHE 942.A N VAL 940.A O no hydrogen 2.921 N/A GLY 943.A N VAL 695.A O no hydrogen 3.276 N/A THR 945.A N ALA 693.A O no hydrogen 2.831 N/A THR 945.A OG1 GLY 943.A O no hydrogen 3.265 N/A TYR 946.A N GLU 883.A OE1 no hydrogen 3.159 N/A TYR 946.A OH GLN 670.A O no hydrogen 2.660 N/A TYR 947.A N GLN 691.A O no hydrogen 2.466 N/A GLN 948.A N ALA 836.A O no hydrogen 2.938 N/A GLN 948.A NE2 ALA 689.A O no hydrogen 3.676 N/A ARG 949.A NH1 LYS 827.A O no hydrogen 3.103 N/A ARG 949.A NH2 ASP 833.A OD2 no hydrogen 3.074 N/A ARG 951.A N GLN 646.A O no hydrogen 2.936 N/A HIS 952.A NE2 GLN 646.A OE1 no hydrogen 3.053 N/A VAL 954.A N ASP 833.A OD1 no hydrogen 3.216 N/A ASP 956.A N MET 953.A O no hydrogen 3.075 N/A LYS 957.A N VAL 954.A O no hydrogen 2.419 N/A ILE 958.A N VAL 954.A O no hydrogen 3.219 N/A HIS 959.A NE2 GLY 981.A O no hydrogen 2.463 N/A ARG 961.A NH1 PRO 965.A O no hydrogen 2.516 N/A ARG 961.A NH2 PRO 965.A O no hydrogen 3.106 N/A GLN 967.A N GLN 972.A O no hydrogen 2.515 N/A THR 970.A OG1 GLN 967.A OE1 no hydrogen 2.723 N/A GLN 972.A NE2 ASP 1011.A OD2 no hydrogen 2.616 N/A ARG 977.A NH2 ASP 955.A O no hydrogen 2.658 N/A ARG 979.A N GLY 976.A O no hydrogen 3.272 N/A ARG 979.A NE GLU 975.A O no hydrogen 3.285 N/A ARG 979.A NH2 GLU 975.A O no hydrogen 3.441 N/A ASP 980.A N ARG 977.A O no hydrogen 3.105 N/A GLY 981.A N GLY 976.A O no hydrogen 2.880 N/A GLY 982.A N VAL 974.A O no hydrogen 2.830 N/A GLU 989.A N GLY 986.A O no hydrogen 2.923 N/A ARG 990.A N GLY 986.A O no hydrogen 3.264 N/A ARG 990.A NE ASP 991.A OD1 no hydrogen 2.979 N/A ARG 990.A NH2 ASP 991.A OD1 no hydrogen 2.948 N/A ASP 991.A N GLU 987.A O no hydrogen 2.998 N/A ASP 991.A N ASP 991.A OD1 no hydrogen 2.599 N/A CYS 992.A N MET 988.A O no hydrogen 3.500 N/A CYS 992.A SG MET 988.A O no hydrogen 3.096 N/A ILE 994.A N ARG 990.A O no hydrogen 3.216 N/A ALA 995.A N ASP 991.A O no hydrogen 3.024 N/A HIS 996.A N CYS 992.A O no hydrogen 3.048 N/A GLY 997.A N ILE 994.A O no hydrogen 2.957 N/A ALA 998.A N MET 993.A O no hydrogen 3.117 N/A LEU 1002.A N ALA 998.A O no hydrogen 3.071 N/A LYS 1003.A N ALA 999.A O no hydrogen 3.069 N/A GLU 1004.A N GLY 1000.A O no hydrogen 2.762 N/A ARG 1005.A N PHE 1001.A O no hydrogen 2.977 N/A ARG 1005.A N LEU 1002.A O no hydrogen 2.998 N/A LEU 1006.A N LEU 1002.A O no hydrogen 3.336 N/A ALA 1009.A N GLU 1004.A O no hydrogen 3.326 N/A ALA 1009.A N ARG 1005.A O no hydrogen 3.048 N/A VAL 1015.A N LEU 1049.A O no hydrogen 3.286 N/A VAL 1017.A N TYR 1047.A O no hydrogen 2.964 N/A GLY 1019.A N ASN 1045.A O no hydrogen 2.615 N/A CYS 1021.A SG CYS 1021.A O no hydrogen 2.893 N/A LEU 1023.A N CYS 1021.A O no hydrogen 2.320 N/A ILE 1027.A N PHE 1035.A O no hydrogen 2.689 N/A ASN 1029.A N GLN 1034.A O no hydrogen 3.189 N/A GLN 1034.A N LYS 1032.A O no hydrogen 2.436 N/A ASN 1042.A ND2 ASN 1045.A O no hydrogen 2.533 N/A LYS 1043.A N ASN 1042.A OD1 no hydrogen 2.550 N/A THR 1044.A N ASN 1042.A OD1 no hydrogen 2.694 N/A ASN 1045.A N ASN 1042.A OD1 no hydrogen 2.879 N/A TYR 1047.A N VAL 1017.A O no hydrogen 3.276 N/A LEU 1049.A N VAL 1015.A O no hydrogen 3.201 N/A ILE 1051.A N PHE 1013.A O no hydrogen 3.143 N/A ALA 1054.A N ASP 1011.A OD1 no hydrogen 3.304 N/A ALA 1055.A N PRO 1052.A O no hydrogen 2.632 N/A LYS 1056.A N PRO 1052.A O no hydrogen 3.303 N/A LEU 1057.A N TYR 1053.A O no hydrogen 3.168 N/A LEU 1058.A N ALA 1054.A O no hydrogen 3.395 N/A PHE 1059.A N ALA 1055.A O no hydrogen 3.066 N/A GLN 1060.A N LYS 1056.A O no hydrogen 3.029 N/A GLU 1061.A N LEU 1057.A O no hydrogen 2.785 N/A LEU 1062.A N LEU 1058.A O no hydrogen 2.907 N/A MET 1063.A N PHE 1059.A O no hydrogen 2.612 N/A ALA 1064.A N GLN 1060.A O no hydrogen 2.740 N/A MET 1065.A N LEU 1062.A O no hydrogen 3.093 N/A ASN 1066.A N MET 1063.A O no hydrogen 2.567 N/A ILE 1067.A N LEU 1062.A O no hydrogen 3.143 N/A