Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whr_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLY 63.A O no hydrogen 3.217 N/A VAL 6.A N GLU 36.A O no hydrogen 2.879 N/A ILE 7.A N VAL 65.A O no hydrogen 3.228 N/A LEU 8.A N VAL 38.A O no hydrogen 3.448 N/A THR 11.A OG1 GLY 10.A O no hydrogen 3.433 N/A GLU 14.A N SER 12.A O no hydrogen 2.397 N/A ILE 17.A N GLU 14.A O no hydrogen 2.857 N/A ASP 19.A N VAL 15.A O no hydrogen 2.845 N/A HIS 21.A N ILE 17.A O no hydrogen 2.874 N/A GLU 22.A N LYS 18.A O no hydrogen 2.885 N/A LYS 23.A N ASP 19.A O no hydrogen 3.119 N/A LYS 23.A N ALA 20.A O no hydrogen 3.201 N/A HIS 28.A N ASP 25.A O no hydrogen 2.975 N/A LEU 29.A N ASP 25.A O no hydrogen 2.864 N/A VAL 32.A N LEU 29.A O no hydrogen 2.532 N/A ARG 34.A N ILE 2.A O no hydrogen 3.093 N/A ARG 34.A NH2 ARG 59.A O no hydrogen 2.485 N/A THR 43.A OG1 ASN 41.A O no hydrogen 2.497 N/A ASP 44.A N SER 47.A OG no hydrogen 3.070 N/A LYS 46.A N ASP 44.A OD1 no hydrogen 2.545 N/A SER 47.A OG ASP 44.A O no hydrogen 2.156 N/A ILE 48.A N ASP 44.A O no hydrogen 2.651 N/A ILE 49.A N PRO 45.A O no hydrogen 2.899 N/A THR 50.A N LYS 46.A O no hydrogen 2.856 N/A THR 50.A OG1 LYS 46.A O no hydrogen 3.331 N/A THR 50.A OG1 SER 47.A O no hydrogen 2.203 N/A ARG 51.A N SER 47.A O no hydrogen 2.884 N/A ILE 52.A N ILE 48.A O no hydrogen 2.841 N/A CYS 53.A N ILE 49.A O no hydrogen 3.014 N/A CYS 53.A SG ILE 49.A O no hydrogen 3.925 N/A CYS 53.A SG THR 50.A O no hydrogen 3.708 N/A ASP 54.A N THR 50.A O no hydrogen 2.829 N/A LEU 55.A N ARG 51.A O no hydrogen 2.891 N/A MET 56.A N ILE 52.A O no hydrogen 2.925 N/A SER 57.A N CYS 53.A O no hydrogen 2.890 N/A SER 57.A OG CYS 53.A O no hydrogen 3.119 N/A SER 57.A OG ASP 54.A O no hydrogen 2.686 N/A ASP 58.A N ASP 54.A O no hydrogen 2.871 N/A ARG 59.A N LEU 55.A O no hydrogen 2.895 N/A ILE 61.A N MET 56.A O no hydrogen 3.351 N/A GLN 62.A N GLY 3.A O no hydrogen 2.835 N/A VAL 64.A N PRO 89.A O no hydrogen 3.498 N/A VAL 65.A N ALA 5.A O no hydrogen 3.166 N/A THR 70.A OG1 GLN 72.A O no hydrogen 3.513 N/A GLN 72.A N THR 70.A OG1 no hydrogen 2.731 N/A ILE 78.A N ILE 75.A O no hydrogen 2.929 N/A ASP 80.A N ALA 76.A O no hydrogen 2.902 N/A PHE 81.A N GLN 77.A O no hydrogen 2.834 N/A ILE 82.A N ILE 78.A O no hydrogen 2.921 N/A SER 83.A N LEU 79.A O no hydrogen 2.861 N/A SER 83.A OG LEU 79.A O no hydrogen 3.341 N/A SER 83.A OG ASP 80.A O no hydrogen 2.092 N/A ALA 84.A N ASP 80.A O no hydrogen 2.852 N/A GLN 85.A N ILE 82.A O no hydrogen 2.623 N/A THR 86.A N ILE 82.A O no hydrogen 2.429 N/A THR 86.A OG1 ILE 82.A O no hydrogen 3.353 N/A THR 86.A OG1 THR 88.A OG1 no hydrogen 2.973 N/A THR 88.A OG1 THR 86.A OG1 no hydrogen 2.973 N/A ILE 90.A N MET 109.A O no hydrogen 3.303 N/A GLY 92.A N PHE 111.A O no hydrogen 2.908 N/A ILE 93.A N PHE 66.A O no hydrogen 3.362 N/A SER 98.A OG HIS 94.A O no hydrogen 2.277 N/A ILE 100.A N SER 97.A O no hydrogen 2.859 N/A SER 107.A N ASP 105.A OD1 no hydrogen 3.272 N/A SER 108.A OG ASP 105.A O no hydrogen 2.807 N/A PHE 111.A N ILE 90.A O no hydrogen 2.964 N/A GLN 112.A NE2 MET 101.A O no hydrogen 2.280 N/A GLN 119.A N SER 116.A OG no hydrogen 3.175 N/A GLN 119.A NE2 MET 325.A O no hydrogen 3.628 N/A ALA 121.A N ILE 117.A O no hydrogen 3.008 N/A SER 122.A N GLU 118.A O no hydrogen 2.921 N/A VAL 123.A N GLN 119.A O no hydrogen 3.018 N/A MET 124.A N GLN 120.A O no hydrogen 2.911 N/A LEU 125.A N ALA 121.A O no hydrogen 2.971 N/A ASN 126.A N SER 122.A O no hydrogen 2.906 N/A ILE 127.A N VAL 123.A O no hydrogen 2.978 N/A MET 128.A N MET 124.A O no hydrogen 2.905 N/A GLU 129.A N LEU 125.A O no hydrogen 2.909 N/A GLU 129.A N ASN 126.A O no hydrogen 2.883 N/A GLU 130.A N ASN 126.A O no hydrogen 2.980 N/A ASP 132.A N GLU 129.A O no hydrogen 2.791 N/A SER 137.A N ILE 194.A O no hydrogen 2.972 N/A SER 137.A OG PHE 136.A O no hydrogen 2.987 N/A SER 137.A OG GLU 167.A OE1 no hydrogen 2.164 N/A ILE 138.A N GLU 168.A O no hydrogen 3.494 N/A VAL 139.A N LEU 196.A O no hydrogen 2.895 N/A THR 140.A N LEU 170.A O no hydrogen 3.229 N/A THR 140.A OG1 VAL 139.A O no hydrogen 2.354 N/A THR 141.A OG1 LEU 172.A O no hydrogen 2.651 N/A TYR 146.A N PHE 143.A O no hydrogen 2.595 N/A ASP 148.A N GLN 147.A OE1 no hydrogen 3.283 N/A PHE 149.A N GLY 145.A O no hydrogen 2.198 N/A VAL 150.A N TYR 146.A O no hydrogen 2.984 N/A LYS 152.A N ASP 148.A O no hydrogen 2.846 N/A LYS 152.A NZ LYS 152.A O no hydrogen 3.364 N/A LYS 152.A NZ THR 156.A OG1 no hydrogen 3.271 N/A ILE 153.A N PHE 149.A O no hydrogen 2.986 N/A ARG 154.A N VAL 150.A O no hydrogen 2.903 N/A ARG 154.A NE GLU 158.A OE2 no hydrogen 3.129 N/A ARG 154.A NH1 ASN 151.A OD1 no hydrogen 3.160 N/A ARG 154.A NH2 ASN 151.A OD1 no hydrogen 2.529 N/A SER 155.A N ASN 151.A O no hydrogen 2.896 N/A SER 155.A OG ASN 151.A O no hydrogen 2.778 N/A THR 156.A N ILE 153.A O no hydrogen 3.098 N/A ILE 157.A N ILE 153.A O no hydrogen 2.969 N/A GLU 158.A N ARG 154.A O no hydrogen 2.943 N/A SER 160.A OG SER 160.A O no hydrogen 2.249 N/A SER 160.A OG VAL 162.A O no hydrogen 3.418 N/A LEU 170.A N ILE 138.A O no hydrogen 2.934 N/A LEU 172.A N THR 140.A O no hydrogen 2.949 N/A SER 175.A OG GLU 203.A OE2 no hydrogen 2.130 N/A ASP 178.A N LEU 176.A O no hydrogen 2.555 N/A SER 181.A OG ASN 185.A OD1 no hydrogen 3.028 N/A LYS 182.A N GLY 179.A O no hydrogen 3.021 N/A GLN 184.A N ASP 180.A O no hydrogen 3.127 N/A ASN 185.A N SER 181.A O no hydrogen 2.919 N/A GLN 186.A N LYS 182.A O no hydrogen 2.855 N/A LEU 187.A N ILE 183.A O no hydrogen 2.858 N/A LYS 188.A N ASN 185.A O no hydrogen 3.188 N/A LYS 189.A N GLN 186.A O no hydrogen 3.155 N/A SER 192.A OG ILE 194.A O no hydrogen 2.691 N/A LEU 196.A N SER 137.A O no hydrogen 2.915 N/A TYR 198.A N VAL 139.A O no hydrogen 2.991 N/A CYS 199.A SG THR 200.A OG1 no hydrogen 3.348 N/A CYS 199.A SG GLU 203.A OE1 no hydrogen 3.533 N/A TYR 206.A N GLU 202.A O no hydrogen 3.041 N/A ILE 207.A N GLU 203.A O no hydrogen 2.853 N/A PHE 208.A N ALA 204.A O no hydrogen 2.850 N/A GLU 209.A N THR 205.A O no hydrogen 2.876 N/A VAL 210.A N TYR 206.A O no hydrogen 3.020 N/A ALA 211.A N ILE 207.A O no hydrogen 2.779 N/A ASN 212.A N PHE 208.A O no hydrogen 2.902 N/A SER 213.A N VAL 210.A O no hydrogen 2.983 N/A SER 213.A OG VAL 210.A O no hydrogen 2.260 N/A VAL 214.A N VAL 210.A O no hydrogen 2.980 N/A GLY 215.A N ALA 211.A O no hydrogen 3.258 N/A THR 217.A OG1 GLY 215.A O no hydrogen 3.011 N/A TYR 219.A N THR 217.A O no hydrogen 2.639 N/A THR 222.A OG1 PRO 193.A O no hydrogen 3.452 N/A VAL 225.A N ILE 245.A O no hydrogen 3.178 N/A SER 227.A N VAL 225.A O no hydrogen 2.655 N/A SER 227.A OG PRO 226.A O no hydrogen 2.619 N/A SER 227.A OG VAL 247.A O no hydrogen 3.103 N/A ASP 234.A N GLY 231.A O no hydrogen 3.345 N/A THR 235.A OG1 THR 235.A O no hydrogen 2.234 N/A PHE 240.A N PRO 237.A O no hydrogen 3.302 N/A THR 242.A OG1 LEU 334.A O no hydrogen 2.333 N/A GLY 243.A N LEU 334.A O no hydrogen 2.411 N/A ILE 245.A N TRP 223.A O no hydrogen 2.995 N/A SER 246.A N ILE 332.A O no hydrogen 2.947 N/A SER 246.A OG VAL 225.A O no hydrogen 2.435 N/A VAL 247.A N SER 246.A OG no hydrogen 2.549 N/A ARG 259.A N GLY 255.A O no hydrogen 2.413 N/A VAL 260.A N LEU 256.A O no hydrogen 2.903 N/A ARG 261.A N PRO 257.A O no hydrogen 2.912 N/A ASP 262.A N ALA 258.A O no hydrogen 2.889 N/A GLY 263.A N ARG 259.A O no hydrogen 2.929 N/A ILE 264.A N VAL 260.A O no hydrogen 2.963 N/A ALA 265.A N ARG 261.A O no hydrogen 2.899 N/A ILE 266.A N ASP 262.A O no hydrogen 2.933 N/A ILE 267.A N GLY 263.A O no hydrogen 3.072 N/A THR 268.A N ILE 264.A O no hydrogen 2.972 N/A THR 268.A OG1 ILE 264.A O no hydrogen 2.957 N/A THR 269.A N ALA 265.A O no hydrogen 2.872 N/A THR 269.A OG1 ALA 265.A O no hydrogen 2.623 N/A THR 269.A OG1 ILE 266.A O no hydrogen 2.458 N/A ALA 270.A N ILE 266.A O no hydrogen 2.909 N/A ALA 271.A N ILE 267.A O no hydrogen 2.966 N/A SER 272.A N THR 268.A O no hydrogen 2.891 N/A SER 272.A OG THR 269.A O no hydrogen 2.126 N/A SER 272.A OG ASP 273.A OD1 no hydrogen 2.998 N/A ASP 273.A N THR 269.A O no hydrogen 2.863 N/A MET 274.A N ALA 270.A O no hydrogen 2.911 N/A LEU 275.A N ALA 271.A O no hydrogen 2.986 N/A SER 276.A N SER 272.A O no hydrogen 2.853 N/A SER 276.A OG ASP 273.A O no hydrogen 2.285 N/A GLU 277.A N ASP 273.A O no hydrogen 3.049 N/A HIS 278.A N LEU 275.A O no hydrogen 3.239 N/A SER 279.A N MET 274.A O no hydrogen 2.631 N/A SER 279.A OG GLU 277.A O no hydrogen 2.694 N/A THR 291.A N CYS 288.A O no hydrogen 3.134 N/A ARG 295.A N HIS 292.A O no hydrogen 2.932 N/A ILE 296.A N HIS 292.A O no hydrogen 2.916 N/A MET 301.A N SER 299.A O no hydrogen 3.094 N/A ARG 304.A N MET 301.A O no hydrogen 2.905 N/A TYR 305.A N LEU 302.A O no hydrogen 2.844 N/A LEU 306.A N LEU 302.A O no hydrogen 2.913 N/A ILE 307.A N ASN 303.A O no hydrogen 3.159 N/A VAL 309.A N LEU 316.A O no hydrogen 2.908 N/A THR 310.A OG1 ASP 315.A OD2 no hydrogen 2.574 N/A PHE 311.A N ARG 314.A O no hydrogen 2.943 N/A ARG 314.A N PHE 311.A O no hydrogen 2.924 N/A LEU 316.A N VAL 309.A O no hydrogen 2.892 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 2.891 N/A ASP 321.A N SER 319.A OG no hydrogen 3.033 N/A MET 325.A N SER 317.A O no hydrogen 2.671 N/A LEU 329.A N TRP 346.A O no hydrogen 2.992 N/A ILE 331.A N GLY 344.A O no hydrogen 2.848 N/A ILE 332.A N SER 246.A O no hydrogen 2.885 N/A LEU 333.A N GLU 341.A O no hydrogen 3.259 N/A LEU 334.A N LEU 244.A O no hydrogen 2.533 N/A ASN 335.A N LYS 339.A O no hydrogen 3.174 N/A LYS 336.A N ASN 335.A OD1 no hydrogen 2.587 N/A ARG 338.A N ASN 335.A O no hydrogen 2.982 N/A ARG 338.A NH1 SER 238.A O no hydrogen 3.479 N/A ARG 338.A NH2 SER 238.A O no hydrogen 2.737 N/A GLU 341.A N LEU 333.A O no hydrogen 3.460 N/A VAL 343.A N ILE 331.A O no hydrogen 2.778 N/A GLY 344.A N ILE 331.A O no hydrogen 2.959 N/A LYS 345.A N GLN 352.A O no hydrogen 2.930 N/A TRP 346.A N LEU 329.A O no hydrogen 2.876 N/A LYS 347.A N SER 350.A O no hydrogen 2.904 N/A SER 350.A N LYS 347.A O no hydrogen 2.900 N/A SER 350.A OG LYS 347.A O no hydrogen 2.076 N/A SER 350.A OG ASP 348.A O no hydrogen 3.370 N/A LEU 363.A N THR 432.A O no hydrogen 2.999 N/A ILE 365.A N ASP 434.A O no hydrogen 3.416 N/A THR 367.A OG1 LEU 368.A O no hydrogen 2.884 N/A LEU 368.A N THR 367.A OG1 no hydrogen 2.305 N/A VAL 376.A N GLU 369.A OE2 no hydrogen 2.630 N/A GLU 377.A N CYS 413.A O no hydrogen 3.310 N/A LEU 382.A N ASP 380.A OD1 no hydrogen 2.811 N/A THR 385.A OG1 ASP 380.A O no hydrogen 3.513 N/A THR 390.A N MET 387.A O no hydrogen 2.936 N/A THR 390.A OG1 VAL 391.A O no hydrogen 3.109 N/A THR 390.A OG1 CYS 414.A O no hydrogen 2.121 N/A VAL 391.A N CYS 414.A O no hydrogen 3.273 N/A CYS 393.A N LYS 412.A O no hydrogen 2.424 N/A LYS 402.A N GLU 400.A OE2 no hydrogen 2.674 N/A LYS 411.A NZ ASP 132.A OD2 no hydrogen 2.896 N/A CYS 413.A N GLU 377.A O no hydrogen 3.059 N/A CYS 413.A SG GLU 377.A O no hydrogen 3.901 N/A CYS 414.A N VAL 391.A O no hydrogen 3.269 N/A LYS 415.A N ILE 375.A O no hydrogen 2.874 N/A LYS 415.A NZ GLU 377.A OE2 no hydrogen 2.351 N/A PHE 417.A N PHE 373.A O no hydrogen 2.932 N/A CYS 418.A N PHE 373.A O no hydrogen 3.101 N/A CYS 418.A SG GLY 468.A O no hydrogen 3.272 N/A ILE 421.A N PHE 417.A O no hydrogen 3.382 N/A LEU 422.A N CYS 418.A O no hydrogen 2.961 N/A LYS 423.A N ILE 419.A O no hydrogen 2.918 N/A LYS 424.A N ASP 420.A O no hydrogen 2.983 N/A LYS 424.A NZ GLU 727.A OE1 no hydrogen 2.349 N/A ILE 425.A N ILE 421.A O no hydrogen 3.007 N/A SER 426.A N LEU 422.A O no hydrogen 2.959 N/A SER 426.A OG LYS 423.A O no hydrogen 3.076 N/A LYS 427.A N LYS 423.A O no hydrogen 3.012 N/A SER 428.A N LYS 424.A O no hydrogen 3.012 N/A VAL 429.A N ILE 425.A O no hydrogen 2.960 N/A VAL 429.A N SER 426.A O no hydrogen 3.193 N/A LYS 430.A N SER 426.A O no hydrogen 2.828 N/A THR 432.A N ASP 361.A O no hydrogen 2.747 N/A ASP 434.A N LEU 363.A O no hydrogen 3.397 N/A TYR 436.A OH GLU 457.A OE2 no hydrogen 3.155 N/A THR 439.A OG1 ASN 440.A OD1 no hydrogen 2.960 N/A ASN 440.A N ASN 440.A OD1 no hydrogen 2.276 N/A LYS 445.A NZ ASN 627.A OD1 no hydrogen 2.153 N/A ILE 447.A N THR 450.A O no hydrogen 2.548 N/A THR 450.A OG1 ILE 447.A O no hydrogen 3.145 N/A THR 450.A OG1 ASN 448.A O no hydrogen 2.393 N/A GLY 453.A N ASN 440.A O no hydrogen 3.149 N/A GLY 456.A N ASN 452.A O no hydrogen 2.823 N/A GLU 457.A N GLY 453.A O no hydrogen 2.916 N/A VAL 458.A N MET 454.A O no hydrogen 2.940 N/A VAL 458.A N ILE 455.A O no hydrogen 3.257 N/A VAL 459.A N ILE 455.A O no hydrogen 2.864 N/A VAL 459.A N GLY 456.A O no hydrogen 2.764 N/A MET 460.A N GLY 456.A O no hydrogen 3.090 N/A TYR 464.A N SER 364.A O no hydrogen 2.695 N/A TYR 464.A N SER 364.A OG no hydrogen 2.710 N/A MET 465.A N SER 364.A O no hydrogen 3.439 N/A ALA 466.A N ALA 704.A O no hydrogen 3.269 N/A VAL 467.A N VAL 366.A O no hydrogen 3.388 N/A ILE 472.A N GLY 700.A O no hydrogen 3.340 N/A ARG 476.A N ASN 473.A OD1 no hydrogen 3.316 N/A ARG 476.A NH2 HIS 443.A O no hydrogen 3.102 N/A SER 477.A N ASN 473.A O no hydrogen 2.845 N/A SER 477.A OG SER 477.A O no hydrogen 2.400 N/A VAL 479.A N ARG 476.A O no hydrogen 3.069 N/A ASP 481.A N ILE 705.A O no hydrogen 3.150 N/A PHE 482.A N ASP 481.A OD1 no hydrogen 2.212 N/A SER 483.A OG ILE 703.A O no hydrogen 3.018 N/A THR 489.A N THR 699.A O no hydrogen 2.909 N/A ILE 491.A N ALA 697.A O no hydrogen 3.064 N/A SER 492.A N TYR 670.A O no hydrogen 2.940 N/A SER 492.A OG VAL 493.A O no hydrogen 3.319 N/A MET 494.A N PHE 668.A O no hydrogen 2.850 N/A SER 498.A OG ASN 499.A O no hydrogen 3.247 N/A ASN 499.A N SER 498.A OG no hydrogen 2.389 N/A SER 505.A N SER 503.A OG no hydrogen 2.539 N/A SER 505.A OG SER 503.A OG no hydrogen 2.667 N/A ALA 506.A N SER 503.A O no hydrogen 3.213 N/A GLU 509.A N ALA 506.A O no hydrogen 2.926 N/A CYS 514.A N SER 512.A OG no hydrogen 2.748 N/A CYS 514.A SG SER 512.A OG no hydrogen 3.306 N/A TRP 516.A N ALA 513.A O no hydrogen 2.813 N/A VAL 517.A N ALA 513.A O no hydrogen 3.312 N/A MET 518.A N CYS 514.A O no hydrogen 2.929 N/A MET 519.A N VAL 515.A O no hydrogen 2.877 N/A PHE 520.A N TRP 516.A O no hydrogen 2.919 N/A VAL 521.A N VAL 517.A O no hydrogen 2.950 N/A MET 522.A N MET 518.A O no hydrogen 2.960 N/A LEU 523.A N MET 519.A O no hydrogen 2.867 N/A LEU 524.A N PHE 520.A O no hydrogen 2.997 N/A ILE 525.A N VAL 521.A O no hydrogen 2.936 N/A VAL 526.A N MET 522.A O no hydrogen 2.934 N/A SER 527.A N LEU 523.A O no hydrogen 2.875 N/A SER 527.A OG LEU 523.A O no hydrogen 3.027 N/A SER 527.A OG LEU 524.A O no hydrogen 2.148 N/A ALA 528.A N LEU 524.A O no hydrogen 2.915 N/A VAL 529.A N ILE 525.A O no hydrogen 2.922 N/A ALA 530.A N VAL 526.A O no hydrogen 2.853 N/A VAL 531.A N SER 527.A O no hydrogen 2.966 N/A PHE 532.A N ALA 528.A O no hydrogen 2.863 N/A VAL 533.A N VAL 529.A O no hydrogen 2.867 N/A PHE 534.A N ALA 530.A O no hydrogen 2.862 N/A LYS 543.A N THR 540.A O no hydrogen 2.986 N/A ALA 544.A N THR 540.A O no hydrogen 2.495 N/A LEU 547.A N LYS 543.A O no hydrogen 2.940 N/A LEU 548.A N ALA 544.A O no hydrogen 2.943 N/A TRP 549.A N ILE 545.A O no hydrogen 2.955 N/A GLY 550.A N TRP 546.A O no hydrogen 3.002 N/A LEU 551.A N LEU 547.A O no hydrogen 2.908 N/A VAL 552.A N LEU 548.A O no hydrogen 3.004 N/A PHE 553.A N TRP 549.A O no hydrogen 3.097 N/A PHE 553.A N GLY 550.A O no hydrogen 2.612 N/A SER 556.A N ASN 554.A O no hydrogen 2.400 N/A SER 567.A OG GLY 564.A O no hydrogen 3.340 N/A LYS 568.A N GLY 564.A O no hydrogen 3.041 N/A ILE 569.A N THR 565.A O no hydrogen 2.897 N/A MET 570.A N THR 566.A O no hydrogen 2.958 N/A VAL 571.A N SER 567.A O no hydrogen 2.850 N/A SER 572.A N LYS 568.A O no hydrogen 3.001 N/A SER 572.A OG LYS 568.A O no hydrogen 3.451 N/A SER 572.A OG ILE 569.A O no hydrogen 2.366 N/A VAL 573.A N ILE 569.A O no hydrogen 3.007 N/A TRP 574.A N MET 570.A O no hydrogen 2.960 N/A ALA 575.A N VAL 571.A O no hydrogen 2.930 N/A PHE 576.A N SER 572.A O no hydrogen 3.031 N/A PHE 577.A N VAL 573.A O no hydrogen 3.245 N/A ALA 578.A N TRP 574.A O no hydrogen 3.014 N/A VAL 579.A N ALA 575.A O no hydrogen 2.991 N/A ILE 580.A N PHE 576.A O no hydrogen 3.451 N/A PHE 581.A N PHE 577.A O no hydrogen 3.004 N/A LEU 582.A N ALA 578.A O no hydrogen 2.992 N/A ALA 583.A N VAL 579.A O no hydrogen 3.003 N/A SER 584.A N ILE 580.A O no hydrogen 2.930 N/A SER 584.A OG ILE 580.A O no hydrogen 3.207 N/A SER 584.A OG PHE 581.A O no hydrogen 2.231 N/A TYR 585.A N PHE 581.A O no hydrogen 2.986 N/A THR 586.A N LEU 582.A O no hydrogen 3.012 N/A ALA 587.A N ALA 583.A O no hydrogen 3.005 N/A ASN 588.A N SER 584.A O no hydrogen 2.971 N/A ASN 588.A ND2 PRO 510.A O no hydrogen 2.762 N/A LEU 589.A N TYR 585.A O no hydrogen 3.028 N/A ALA 590.A N THR 586.A O no hydrogen 2.948 N/A ALA 591.A N ALA 587.A O no hydrogen 2.891 N/A PHE 592.A N ASN 588.A O no hydrogen 3.052 N/A MET 593.A N LEU 589.A O no hydrogen 2.997 N/A ILE 594.A N ALA 591.A O no hydrogen 2.895 N/A SER 603.A OG SER 603.A O no hydrogen 2.375 N/A ASP 607.A N GLY 604.A O no hydrogen 2.622 N/A LYS 609.A N ASP 607.A OD1 no hydrogen 2.160 N/A GLN 611.A N LYS 608.A O no hydrogen 2.428 N/A GLN 611.A NE2 PHE 610.A O no hydrogen 2.391 N/A ARG 612.A N LYS 608.A O no hydrogen 2.450 N/A ASP 615.A N ARG 612.A O no hydrogen 3.062 N/A PHE 616.A N ARG 612.A O no hydrogen 3.380 N/A SER 617.A OG PHE 616.A O no hydrogen 2.222 N/A GLY 623.A N ARG 621.A O no hydrogen 2.987 N/A GLY 623.A N ALA 667.A O no hydrogen 3.309 N/A THR 624.A OG1 PHE 622.A O no hydrogen 2.964 N/A ARG 632.A NE GLU 475.A OE2 no hydrogen 2.296 N/A ASN 633.A N SER 629.A O no hydrogen 3.055 N/A ASN 633.A N THR 630.A O no hydrogen 2.436 N/A ILE 634.A N THR 630.A O no hydrogen 2.912 N/A ARG 635.A N GLU 631.A O no hydrogen 2.964 N/A ASN 636.A N ASN 633.A O no hydrogen 2.662 N/A ASN 637.A N ILE 634.A O no hydrogen 2.653 N/A TYR 638.A N ILE 634.A O no hydrogen 2.983 N/A GLU 640.A N GLU 640.A OE1 no hydrogen 2.212 N/A MET 641.A N TYR 638.A O no hydrogen 2.357 N/A HIS 642.A N TYR 638.A O no hydrogen 3.206 N/A ALA 643.A N ALA 639.A O no hydrogen 2.883 N/A TYR 644.A N GLU 640.A O no hydrogen 3.435 N/A MET 645.A N MET 641.A O no hydrogen 2.946 N/A GLY 646.A N HIS 642.A O no hydrogen 2.986 N/A GLY 646.A N ALA 643.A O no hydrogen 2.981 N/A GLN 650.A NE2 PHE 648.A O no hydrogen 2.136 N/A LEU 657.A N VAL 653.A O no hydrogen 2.940 N/A LEU 658.A N ASP 654.A O no hydrogen 2.891 N/A SER 659.A N ASP 655.A O no hydrogen 2.924 N/A SER 659.A OG ASP 655.A O no hydrogen 3.216 N/A LEU 660.A N ALA 656.A O no hydrogen 2.781 N/A LEU 660.A N LEU 657.A O no hydrogen 2.790 N/A LYS 661.A N LEU 657.A O no hydrogen 2.935 N/A THR 662.A N LEU 658.A O no hydrogen 3.057 N/A LYS 664.A NZ THR 662.A OG1 no hydrogen 2.674 N/A LEU 665.A N SER 659.A O no hydrogen 3.060 N/A ALA 667.A N ARG 621.A O no hydrogen 3.429 N/A PHE 668.A N MET 494.A O no hydrogen 2.914 N/A ILE 669.A N GLY 623.A O no hydrogen 3.333 N/A TYR 670.A N SER 492.A O no hydrogen 2.990 N/A ALA 672.A N ASP 671.A OD1 no hydrogen 2.198 N/A LEU 675.A N ALA 672.A O no hydrogen 2.371 N/A ASN 676.A N ALA 672.A O no hydrogen 2.909 N/A TYR 677.A N ALA 673.A O no hydrogen 2.933 N/A MET 678.A N VAL 674.A O no hydrogen 2.906 N/A ALA 679.A N LEU 675.A O no hydrogen 2.863 N/A ARG 681.A N ALA 679.A O no hydrogen 2.353 N/A THR 689.A OG1 ASN 676.A OD1 no hydrogen 3.353 N/A ILE 690.A N VAL 493.A O no hydrogen 3.440 N/A SER 692.A N THR 689.A O no hydrogen 3.385 N/A SER 692.A OG GLY 691.A O no hydrogen 2.309 N/A THR 699.A N THR 489.A O no hydrogen 2.928 N/A THR 699.A OG1 GLY 700.A O no hydrogen 3.306 N/A GLY 700.A N THR 699.A OG1 no hydrogen 2.264 N/A TYR 701.A OH ASP 671.A OD2 no hydrogen 2.123 N/A ALA 704.A N ALA 466.A O no hydrogen 2.763 N/A LYS 707.A NZ GLU 478.A O no hydrogen 3.125 N/A SER 709.A OG TYR 464.A OH no hydrogen 3.174 N/A TRP 711.A N SER 709.A OG no hydrogen 2.960 N/A LYS 712.A N SER 709.A O no hydrogen 2.876 N/A LYS 712.A NZ ASP 481.A OD1 no hydrogen 3.131 N/A LYS 712.A NZ ASP 481.A OD2 no hydrogen 2.795 N/A GLN 714.A N TRP 711.A O no hydrogen 2.232 N/A VAL 715.A N TRP 711.A O no hydrogen 3.397 N/A ASP 716.A N LYS 712.A O no hydrogen 2.930 N/A LEU 717.A N ARG 713.A O no hydrogen 2.951 N/A ALA 718.A N GLN 714.A O no hydrogen 2.886 N/A ILE 719.A N VAL 715.A O no hydrogen 2.942 N/A LEU 720.A N ASP 716.A O no hydrogen 3.056 N/A GLN 721.A N LEU 717.A O no hydrogen 2.885 N/A LEU 722.A N ALA 718.A O no hydrogen 2.893 N/A PHE 723.A N ILE 719.A O no hydrogen 2.971 N/A GLY 724.A N LEU 720.A O no hydrogen 3.004 N/A GLU 729.A N GLY 726.A O no hydrogen 2.586 N/A LEU 731.A N GLU 727.A O no hydrogen 2.975 N/A ALA 733.A N GLU 729.A O no hydrogen 2.819 N/A LEU 734.A N LEU 731.A O no hydrogen 2.920 N/A TRP 735.A N LEU 731.A O no hydrogen 3.008 N/A TRP 735.A N GLU 732.A O no hydrogen 3.293 N/A LEU 736.A N GLU 732.A O no hydrogen 2.939 N/A CYS 740.A SG ILE 739.A O no hydrogen 2.961 N/A VAL 747.A N GLU 596.A OE2 no hydrogen 3.325 N/A SER 749.A N VAL 747.A O no hydrogen 2.637 N/A MET 757.A N ASN 756.A OD1 no hydrogen 2.392 N/A ALA 758.A N ILE 754.A O no hydrogen 3.052 N/A GLY 759.A N ASP 755.A O no hydrogen 2.855 N/A VAL 760.A N ASN 756.A O no hydrogen 2.981 N/A PHE 761.A N MET 757.A O no hydrogen 2.824 N/A TYR 762.A N ALA 758.A O no hydrogen 2.923 N/A MET 763.A N GLY 759.A O no hydrogen 2.949 N/A LEU 764.A N VAL 760.A O no hydrogen 2.897 N/A GLY 765.A N PHE 761.A O no hydrogen 2.896 N/A ALA 766.A N TYR 762.A O no hydrogen 2.963 N/A ALA 767.A N LEU 764.A O no hydrogen 2.354 N/A ALA 769.A N GLY 765.A O no hydrogen 3.018 N/A LEU 770.A N ALA 766.A O no hydrogen 2.945 N/A SER 771.A N ALA 767.A O no hydrogen 2.809 N/A SER 771.A OG ALA 767.A O no hydrogen 3.044 N/A SER 771.A OG MET 768.A O no hydrogen 2.247 N/A LEU 772.A N MET 768.A O no hydrogen 2.966 N/A ILE 773.A N ALA 769.A O no hydrogen 2.970 N/A THR 774.A N LEU 770.A O no hydrogen 2.915 N/A THR 774.A OG1 SER 771.A O no hydrogen 2.399 N/A PHE 775.A N SER 771.A O no hydrogen 2.870 N/A PHE 775.A N LEU 772.A O no hydrogen 3.003 N/A SER 777.A N THR 774.A O no hydrogen 2.923 N/A SER 777.A OG THR 774.A O no hydrogen 3.059 N/A GLU 778.A N PHE 775.A O no hydrogen 3.129 N/A HIS 779.A N ILE 776.A O no hydrogen 2.447 N/A LEU 780.A N SER 777.A O no hydrogen 3.049 N/A TYR 782.A N GLU 778.A O no hydrogen 3.087 N/A TRP 783.A N LEU 780.A O no hydrogen 3.086 N/A GLN 784.A N PHE 781.A O no hydrogen 3.175 N/A