Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1biy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ALA 1.A O no hydrogen 2.991 N/A ARG 7.A N ASP 55.A OD2 no hydrogen 2.396 N/A ARG 7.A NH1 LYS 52.A O no hydrogen 3.534 N/A ARG 7.A NH2 LYS 52.A O no hydrogen 3.221 N/A ARG 7.A NH2 ASP 55.A OD1 no hydrogen 3.490 N/A TRP 8.A N THR 35.A O no hydrogen 2.466 N/A CYS 9.A N ALA 56.A O no hydrogen 3.145 N/A CYS 9.A SG THR 10.A O no hydrogen 3.936 N/A THR 10.A N VAL 37.A O no hydrogen 3.001 N/A THR 10.A OG1 VAL 37.A O no hydrogen 2.979 N/A ILE 11.A N GLU 15.A OE1 no hydrogen 2.727 N/A GLU 15.A N SER 12.A OG no hydrogen 3.020 N/A TRP 16.A N SER 12.A O no hydrogen 2.516 N/A LEU 17.A N GLN 13.A O no hydrogen 2.766 N/A LYS 18.A N PRO 14.A O no hydrogen 3.250 N/A LYS 18.A NZ LEU 288.A O no hydrogen 2.541 N/A LYS 18.A NZ GLY 290.A O no hydrogen 3.390 N/A LYS 18.A NZ LEU 298.A O no hydrogen 2.811 N/A CYS 19.A N GLU 15.A O no hydrogen 3.276 N/A ARG 21.A N LEU 17.A O no hydrogen 2.958 N/A TRP 22.A N LYS 18.A O no hydrogen 3.171 N/A GLN 23.A N CYS 19.A O no hydrogen 2.678 N/A GLN 23.A NE2 ILE 34.A O no hydrogen 3.114 N/A TRP 24.A N HIS 20.A O no hydrogen 3.151 N/A ARG 25.A N ARG 21.A O no hydrogen 3.393 N/A MET 26.A N TRP 22.A O no hydrogen 2.917 N/A LYS 27.A N TRP 24.A O no hydrogen 3.145 N/A LYS 28.A NZ ARG 25.A O no hydrogen 2.906 N/A GLY 30.A N LYS 27.A O no hydrogen 2.543 N/A THR 35.A N VAL 6.A O no hydrogen 2.903 N/A CYS 36.A SG TRP 8.A O no hydrogen 4.044 N/A VAL 37.A N TRP 8.A O no hydrogen 2.888 N/A ARG 38.A NH1 ARG 39.A O no hydrogen 2.430 N/A ARG 38.A NH2 GLN 13.A OE1 no hydrogen 3.301 N/A ARG 39.A NH1 GLU 44.A O no hydrogen 3.362 N/A CYS 45.A N PHE 41.A O no hydrogen 3.027 N/A CYS 45.A SG CYS 9.A O no hydrogen 3.167 N/A CYS 45.A SG THR 10.A O no hydrogen 3.237 N/A ARG 47.A N LEU 43.A O no hydrogen 2.924 N/A ALA 48.A N GLU 44.A O no hydrogen 2.992 N/A ILE 49.A N CYS 45.A O no hydrogen 3.014 N/A THR 50.A N ILE 46.A O no hydrogen 2.959 N/A GLU 51.A N ARG 47.A O no hydrogen 2.565 N/A LYS 52.A N ILE 49.A O no hydrogen 2.828 N/A LYS 53.A N ALA 48.A O no hydrogen 2.620 N/A ASP 55.A N ARG 7.A O no hydrogen 2.977 N/A VAL 57.A N VAL 256.A O no hydrogen 3.432 N/A LEU 59.A N ALA 254.A O no hydrogen 2.937 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 3.010 N/A GLY 62.A N SER 122.A OG no hydrogen 3.322 N/A VAL 64.A N ASP 60.A O no hydrogen 2.975 N/A PHE 65.A N GLY 61.A O no hydrogen 2.952 N/A GLU 66.A N GLY 62.A O no hydrogen 2.944 N/A ALA 67.A N MET 63.A O no hydrogen 2.539 N/A GLY 68.A N VAL 64.A O no hydrogen 2.732 N/A LEU 69.A N GLU 66.A O no hydrogen 3.078 N/A TYR 72.A N LEU 69.A O no hydrogen 2.766 N/A LEU 74.A N ALA 67.A O no hydrogen 3.412 N/A ARG 75.A N ALA 257.A O no hydrogen 2.694 N/A ARG 75.A NE GLU 264.A OE2 no hydrogen 3.162 N/A ARG 75.A NH2 GLU 264.A OE2 no hydrogen 3.316 N/A ARG 75.A NH2 ILE 310.A O no hydrogen 3.103 N/A VAL 77.A N VAL 255.A O no hydrogen 2.654 N/A ALA 78.A N VAL 255.A O no hydrogen 3.403 N/A ALA 79.A N LEU 308.A O no hydrogen 2.962 N/A GLU 80.A N HIS 253.A O no hydrogen 3.018 N/A ILE 81.A N GLY 306.A O no hydrogen 2.851 N/A TYR 82.A N GLN 89.A O no hydrogen 2.560 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.544 N/A GLU 86.A N THR 84.A OG1 no hydrogen 3.070 N/A SER 87.A N THR 84.A O no hydrogen 2.824 N/A SER 87.A N THR 84.A OG1 no hydrogen 3.246 N/A SER 87.A OG SER 87.A O no hydrogen 2.534 N/A GLN 89.A N TYR 82.A O no hydrogen 2.531 N/A GLN 89.A NE2 HIS 91.A O no hydrogen 2.800 N/A TYR 92.A N VAL 250.A O no hydrogen 2.883 N/A TYR 92.A OH HIS 253.A NE2 no hydrogen 2.708 N/A TYR 93.A N GLU 211.A OE1 no hydrogen 2.880 N/A ALA 94.A N ALA 248.A O no hydrogen 2.948 N/A VAL 95.A N VAL 209.A O no hydrogen 2.772 N/A VAL 97.A N ALA 207.A O no hydrogen 3.101 N/A VAL 98.A N GLU 228.A O no hydrogen 3.054 N/A LYS 100.A N GLN 226.A O no hydrogen 3.000 N/A LYS 100.A NZ ASP 225.A O no hydrogen 2.642 N/A SER 102.A OG GLY 101.A O no hydrogen 2.744 N/A GLY 111.A N PHE 152.A O no hydrogen 2.684 N/A ARG 112.A NH1 GLN 108.A O no hydrogen 2.935 N/A SER 114.A N ALA 155.A O no hydrogen 3.131 N/A CYS 115.A N VAL 206.A O no hydrogen 2.966 N/A HIS 116.A N CYS 157.A O no hydrogen 3.098 N/A LEU 119.A N PRO 159.A O no hydrogen 3.135 N/A SER 122.A N ASP 60.A OD2 no hydrogen 2.804 N/A SER 122.A OG ASP 60.A OD1 no hydrogen 2.629 N/A SER 122.A OG ASP 60.A OD2 no hydrogen 2.723 N/A SER 122.A OG TYR 324.A OH no hydrogen 3.206 N/A ASN 126.A N ARG 121.A O no hydrogen 2.810 N/A ILE 127.A N SER 122.A O no hydrogen 3.049 N/A MET 129.A N TRP 125.A O no hydrogen 3.141 N/A GLY 130.A N ASN 126.A O no hydrogen 2.968 N/A ILE 131.A N ILE 127.A O no hydrogen 2.907 N/A LEU 132.A N PRO 128.A O no hydrogen 2.991 N/A ARG 133.A N MET 129.A O no hydrogen 3.184 N/A ARG 133.A NH1 ASN 330.A O no hydrogen 2.657 N/A ARG 133.A NH2 GLU 140.A OE1 no hydrogen 3.459 N/A ARG 133.A NH2 GLU 333.A O no hydrogen 2.599 N/A TRP 138.A NE1 GLU 143.A O no hydrogen 2.658 N/A LEU 142.A N THR 139.A O no hydrogen 2.721 N/A GLU 143.A N THR 139.A O no hydrogen 2.997 N/A VAL 149.A N LEU 145.A O no hydrogen 2.764 N/A ALA 150.A N GLN 146.A O no hydrogen 3.077 N/A LYS 151.A N GLY 147.A O no hydrogen 3.300 N/A LYS 151.A NZ GLU 143.A OE2 no hydrogen 2.975 N/A PHE 152.A N ALA 148.A O no hydrogen 2.746 N/A PHE 153.A N VAL 149.A O no hydrogen 3.031 N/A SER 154.A N ARG 112.A O no hydrogen 3.033 N/A SER 156.A N ASN 168.A O no hydrogen 3.004 N/A CYS 157.A SG GLU 187.A OE2 no hydrogen 3.216 N/A CYS 160.A N CYS 181.A O no hydrogen 3.368 N/A VAL 161.A N VAL 158.A O no hydrogen 3.193 N/A ALA 165.A N ASP 162.A O no hydrogen 3.054 N/A ALA 165.A N ASP 162.A OD2 no hydrogen 2.882 N/A TYR 166.A N ASP 162.A O no hydrogen 3.161 N/A ASN 168.A ND2 ALA 150.A O no hydrogen 2.572 N/A CYS 170.A SG VAL 161.A O no hydrogen 3.975 N/A CYS 173.A N CYS 170.A O no hydrogen 2.819 N/A GLN 180.A N GLY 177.A O no hydrogen 2.659 N/A GLN 180.A NE2 CYS 170.A O no hydrogen 3.418 N/A CYS 181.A N GLU 187.A OE2 no hydrogen 3.275 N/A CYS 181.A SG VAL 158.A O no hydrogen 3.622 N/A CYS 181.A SG VAL 161.A O no hydrogen 4.046 N/A GLU 187.A N SER 184.A O no hydrogen 2.824 N/A TYR 189.A N GLU 187.A OE1 no hydrogen 2.602 N/A TYR 189.A OH ASP 201.A OD2 no hydrogen 3.115 N/A PHE 190.A N GLU 187.A O no hydrogen 2.861 N/A GLY 191.A N THR 117.A O no hydrogen 2.867 N/A TYR 192.A OH HIS 253.A NE2 no hydrogen 3.067 N/A ALA 195.A N TYR 192.A O no hydrogen 3.274 N/A PHE 196.A N SER 193.A O no hydrogen 2.439 N/A LYS 197.A N SER 193.A O no hydrogen 2.893 N/A LYS 197.A NZ PRO 188.A O no hydrogen 3.212 N/A CYS 198.A N GLY 194.A O no hydrogen 3.282 N/A LEU 199.A N PHE 196.A O no hydrogen 2.460 N/A GLN 200.A N PHE 196.A O no hydrogen 2.436 N/A ASP 201.A N LYS 197.A O no hydrogen 2.491 N/A GLY 204.A N CYS 198.A O no hydrogen 3.073 N/A ASP 205.A N ASN 113.A O no hydrogen 2.964 N/A ALA 207.A N VAL 97.A O no hydrogen 3.007 N/A PHE 208.A N CYS 115.A O no hydrogen 2.935 N/A VAL 209.A N VAL 95.A O no hydrogen 3.317 N/A THR 213.A N LYS 210.A O no hydrogen 3.433 N/A THR 213.A OG1 LYS 210.A O no hydrogen 3.228 N/A GLU 216.A N THR 212.A O no hydrogen 2.878 N/A GLU 216.A N THR 213.A O no hydrogen 3.045 N/A ASN 217.A N THR 213.A O no hydrogen 3.364 N/A ASN 217.A N VAL 214.A O no hydrogen 3.055 N/A LYS 221.A NZ ASP 225.A OD1 no hydrogen 3.241 N/A LYS 221.A NZ ASP 225.A OD2 no hydrogen 3.311 N/A ASP 223.A N GLU 220.A O no hydrogen 2.670 N/A ARG 224.A N GLU 220.A O no hydrogen 3.233 N/A ARG 224.A NH2 LEU 218.A O no hydrogen 2.848 N/A ASP 225.A N LYS 221.A O no hydrogen 2.823 N/A GLN 226.A N ASP 223.A O no hydrogen 3.403 N/A TYR 227.A N ARG 224.A O no hydrogen 2.791 N/A GLU 228.A N VAL 98.A O no hydrogen 2.659 N/A LEU 229.A N ALA 237.A O no hydrogen 2.630 N/A LEU 230.A N ALA 96.A O no hydrogen 2.835 N/A CYS 231.A N THR 235.A O no hydrogen 2.783 N/A CYS 231.A SG THR 235.A OG1 no hydrogen 3.689 N/A ASN 234.A N CYS 231.A O no hydrogen 2.896 N/A ASN 234.A ND2 ASP 107.A OD2 no hydrogen 2.777 N/A THR 235.A OG1 ARG 236.A O no hydrogen 3.316 N/A ARG 236.A NE PHE 104.A O no hydrogen 2.712 N/A ARG 236.A NH1 LYS 99.A O no hydrogen 2.926 N/A ARG 236.A NH2 PHE 104.A O no hydrogen 3.119 N/A ALA 237.A N LEU 229.A O no hydrogen 2.918 N/A ALA 241.A N PRO 238.A O no hydrogen 2.732 N/A GLU 244.A N ALA 241.A O no hydrogen 2.935 N/A CYS 245.A N ALA 241.A O no hydrogen 2.849 N/A CYS 245.A N PHE 242.A O no hydrogen 3.076 N/A HIS 246.A ND1 PHE 242.A O no hydrogen 2.928 N/A LEU 247.A N ALA 94.A O no hydrogen 2.913 N/A VAL 250.A N TYR 92.A O no hydrogen 2.748 N/A SER 252.A N THR 90.A O no hydrogen 3.225 N/A SER 252.A OG GLU 80.A O no hydrogen 3.184 N/A SER 252.A OG THR 90.A O no hydrogen 2.444 N/A SER 252.A OG TYR 319.A OH no hydrogen 3.315 N/A ALA 254.A N LEU 59.A O no hydrogen 3.318 N/A VAL 255.A N ALA 78.A O no hydrogen 2.906 N/A VAL 256.A N VAL 57.A O no hydrogen 2.928 N/A ALA 257.A N ARG 75.A O no hydrogen 3.066 N/A ARG 258.A NE ILE 49.A O no hydrogen 2.332 N/A LYS 263.A NZ ASN 5.A O no hydrogen 2.681 N/A TRP 268.A N GLU 264.A O no hydrogen 3.080 N/A LYS 269.A N ASP 265.A O no hydrogen 2.986 N/A LEU 270.A N LEU 266.A O no hydrogen 3.165 N/A LEU 271.A N ILE 267.A O no hydrogen 2.856 N/A LEU 271.A N TRP 268.A O no hydrogen 2.942 N/A SER 272.A N TRP 268.A O no hydrogen 3.088 N/A SER 272.A OG TRP 268.A O no hydrogen 3.078 N/A SER 272.A OG LYS 269.A O no hydrogen 2.827 N/A LYS 273.A N LYS 269.A O no hydrogen 3.221 N/A ALA 274.A N LEU 270.A O no hydrogen 3.322 N/A GLN 275.A N LEU 271.A O no hydrogen 3.131 N/A GLU 276.A N SER 272.A O no hydrogen 2.829 N/A LYS 277.A N LYS 273.A O no hydrogen 3.197 N/A PHE 278.A N ALA 274.A O no hydrogen 2.880 N/A LYS 282.A NZ LYS 280.A O no hydrogen 2.738 N/A LYS 282.A NZ ASN 281.A O no hydrogen 3.226 N/A SER 283.A OG SER 285.A OG no hydrogen 2.704 N/A SER 283.A OG PHE 286.A O no hydrogen 3.177 N/A SER 285.A OG SER 283.A OG no hydrogen 2.704 N/A PHE 286.A N SER 283.A OG no hydrogen 3.128 N/A LEU 288.A N PHE 278.A O no hydrogen 3.176 N/A SER 291.A OG ASP 302.A OD1 no hydrogen 2.249 N/A SER 291.A OG ASP 302.A OD2 no hydrogen 2.527 N/A ARG 296.A NH1 ASN 217.A OD1 no hydrogen 3.351 N/A ASP 297.A N ASP 302.A OD2 no hydrogen 2.615 N/A LEU 299.A N GLU 15.A OE2 no hydrogen 3.173 N/A LYS 301.A N GLU 80.A OE2 no hydrogen 2.787 N/A LYS 301.A NZ ASP 297.A OD1 no hydrogen 2.625 N/A LYS 301.A NZ ASP 302.A O no hydrogen 3.543 N/A ASP 302.A N ASP 297.A OD1 no hydrogen 3.083 N/A SER 303.A N PHE 289.A O no hydrogen 3.316 N/A PHE 307.A N GLN 275.A OE1 no hydrogen 2.919 N/A LEU 308.A N ALA 79.A O no hydrogen 2.966 N/A ILE 310.A N VAL 77.A O no hydrogen 3.186 N/A SER 312.A N ILE 310.A O no hydrogen 2.505 N/A SER 312.A OG PRO 311.A O no hydrogen 2.922 N/A LEU 318.A N ASP 315.A OD1 no hydrogen 2.830 N/A TYR 319.A N ASP 315.A O no hydrogen 2.759 N/A TYR 319.A OH SER 252.A O no hydrogen 2.765 N/A LEU 320.A N SER 316.A O no hydrogen 2.981 N/A GLY 321.A N LEU 318.A O no hydrogen 3.019 N/A LEU 325.A N GLY 321.A O no hydrogen 3.330 N/A THR 326.A N SER 322.A O no hydrogen 2.982 N/A THR 326.A OG1 SER 322.A O no hydrogen 3.028 N/A ALA 327.A N ARG 323.A O no hydrogen 2.959 N/A LEU 328.A N TYR 324.A O no hydrogen 2.927 N/A LYS 329.A N LEU 325.A O no hydrogen 2.708 N/A ASN 330.A N THR 326.A O no hydrogen 2.900 N/A LEU 331.A N LEU 328.A O no hydrogen 3.087 N/A ARG 332.A N LYS 329.A O no hydrogen 2.828 N/A GLU 336.A N THR 334.A OG1 no hydrogen 2.850 N/A GLU 337.A N THR 334.A OG1 no hydrogen 2.814 N/A VAL 338.A N THR 334.A O no hydrogen 3.260 N/A ALA 340.A N GLU 337.A O no hydrogen 3.089 N/A ARG 341.A N GLU 337.A O no hydrogen 3.222 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 3.165 N/A ARG 341.A NH1 ASP 390.A OD1 no hydrogen 3.070 N/A ARG 341.A NH1 ASP 390.A OD2 no hydrogen 2.417 N/A ARG 341.A NH2 GLY 387.A O no hydrogen 2.735 N/A ARG 341.A NH2 ALA 389.A O no hydrogen 2.917 N/A ARG 341.A NH2 ASP 390.A OD1 no hydrogen 2.983 N/A ARG 342.A N VAL 338.A O no hydrogen 3.233 N/A ARG 344.A N ALA 340.A O no hydrogen 3.209 N/A VAL 345.A N ILE 368.A O no hydrogen 3.211 N/A VAL 346.A N ASP 390.A OD2 no hydrogen 2.995 N/A CYS 348.A N ALA 391.A O no hydrogen 2.777 N/A CYS 348.A SG ALA 372.A O no hydrogen 4.027 N/A CYS 348.A SG CYS 380.A O no hydrogen 3.945 N/A ALA 349.A N ALA 372.A O no hydrogen 3.076 N/A VAL 350.A N GLU 354.A OE1 no hydrogen 3.044 N/A GLY 351.A N ALA 374.A O no hydrogen 3.063 N/A GLN 355.A N GLY 351.A O no hydrogen 2.909 N/A LYS 356.A N PRO 352.A O no hydrogen 3.237 N/A LYS 357.A N GLU 353.A O no hydrogen 3.206 N/A LYS 357.A NZ LEU 631.A O no hydrogen 2.553 N/A LYS 357.A NZ LEU 639.A O no hydrogen 3.063 N/A CYS 358.A N GLU 354.A O no hydrogen 3.095 N/A GLN 359.A N GLN 355.A O no hydrogen 3.010 N/A GLN 360.A N LYS 356.A O no hydrogen 3.233 N/A TRP 361.A N LYS 357.A O no hydrogen 2.704 N/A SER 362.A N CYS 358.A O no hydrogen 2.429 N/A SER 362.A OG VAL 369.A O no hydrogen 2.924 N/A GLN 363.A N GLN 359.A O no hydrogen 2.850 N/A GLN 364.A N GLN 360.A O no hydrogen 2.897 N/A SER 365.A N TRP 361.A O no hydrogen 2.945 N/A SER 365.A N SER 362.A O no hydrogen 2.923 N/A SER 365.A OG TRP 361.A O no hydrogen 2.682 N/A SER 365.A OG SER 362.A O no hydrogen 2.191 N/A GLY 366.A N GLN 363.A O no hydrogen 3.177 N/A GLN 367.A N SER 362.A O no hydrogen 3.256 N/A THR 370.A N VAL 345.A O no hydrogen 3.053 N/A ALA 372.A N TRP 347.A O no hydrogen 3.375 N/A ALA 374.A N ALA 349.A O no hydrogen 2.988 N/A ASP 379.A N THR 376.A OG1 no hydrogen 3.389 N/A CYS 380.A N THR 376.A O no hydrogen 3.120 N/A ILE 381.A N THR 377.A O no hydrogen 2.839 N/A ALA 382.A N ASP 378.A O no hydrogen 3.047 N/A LEU 383.A N ASP 379.A O no hydrogen 3.003 N/A VAL 384.A N CYS 380.A O no hydrogen 3.019 N/A LEU 385.A N ILE 381.A O no hydrogen 3.133 N/A LEU 385.A N ALA 382.A O no hydrogen 2.753 N/A LYS 386.A N ALA 382.A O no hydrogen 3.165 N/A LYS 386.A N LEU 383.A O no hydrogen 2.885 N/A LYS 386.A NZ ASP 315.A OD2 no hydrogen 2.694 N/A GLY 387.A N VAL 384.A O no hydrogen 3.110 N/A GLU 388.A N LEU 383.A O no hydrogen 3.328 N/A ASP 390.A N VAL 346.A O no hydrogen 2.699 N/A SER 393.A OG GLU 413.A OE2 no hydrogen 2.616 N/A LEU 394.A N ALA 596.A O no hydrogen 2.915 N/A GLY 397.A N THR 464.A OG1 no hydrogen 2.889 N/A TYR 398.A N ASP 395.A O no hydrogen 2.999 N/A ILE 399.A N ASP 395.A O no hydrogen 2.837 N/A TYR 400.A N GLY 396.A O no hydrogen 3.281 N/A ALA 402.A N TYR 398.A O no hydrogen 3.073 N/A GLY 403.A N ILE 399.A O no hydrogen 2.376 N/A LYS 404.A N TYR 400.A O no hydrogen 2.524 N/A CYS 405.A N THR 401.A O no hydrogen 3.041 N/A CYS 405.A N ALA 402.A O no hydrogen 3.235 N/A CYS 405.A SG THR 401.A O no hydrogen 3.176 N/A CYS 405.A SG LEU 680.A O no hydrogen 3.920 N/A GLY 406.A N GLY 403.A O no hydrogen 2.956 N/A LEU 407.A N ALA 402.A O no hydrogen 2.874 N/A VAL 408.A N SER 599.A O no hydrogen 2.910 N/A VAL 410.A N VAL 597.A O no hydrogen 2.522 N/A ALA 412.A N ALA 649.A O no hydrogen 2.834 N/A GLU 413.A N HIS 595.A O no hydrogen 3.376 N/A ASN 414.A N CYS 647.A O no hydrogen 2.672 N/A LYS 416.A NZ GLU 646.A OE2 no hydrogen 2.386 N/A SER 417.A OG HIS 420.A O no hydrogen 3.259 N/A CYS 425.A SG GLU 646.A OE1 no hydrogen 3.916 N/A LEU 427.A N ASP 424.A O no hydrogen 2.608 N/A ARG 428.A N CYS 425.A O no hydrogen 2.629 N/A ARG 428.A NH1 ARG 415.A O no hydrogen 2.846 N/A ARG 428.A NH1 GLU 646.A OE1 no hydrogen 3.310 N/A ARG 428.A NH2 GLU 646.A OE1 no hydrogen 3.094 N/A THR 430.A OG1 ASN 594.A OD1 no hydrogen 3.012 N/A TYR 433.A N ALA 592.A O no hydrogen 3.108 N/A TYR 433.A OH HIS 595.A NE2 no hydrogen 3.030 N/A ALA 435.A N ALA 590.A O no hydrogen 3.011 N/A VAL 436.A N VAL 543.A O no hydrogen 2.885 N/A VAL 438.A N ALA 541.A O no hydrogen 2.939 N/A VAL 439.A N ARG 570.A O no hydrogen 2.872 N/A LYS 440.A NZ ALA 534.A O no hydrogen 2.924 N/A LYS 440.A NZ ASP 536.A OD1 no hydrogen 3.205 N/A LYS 440.A NZ ASP 536.A OD2 no hydrogen 3.508 N/A LYS 441.A N ASP 568.A O no hydrogen 2.978 N/A THR 447.A N SER 450.A OG no hydrogen 3.204 N/A ASN 449.A N THR 447.A OG1 no hydrogen 2.958 N/A ASN 449.A ND2 ASP 575.A O no hydrogen 3.533 N/A SER 450.A N THR 447.A O no hydrogen 2.722 N/A SER 450.A OG GLY 445.A O no hydrogen 3.459 N/A LEU 451.A N TRP 448.A O no hydrogen 3.488 N/A LYS 452.A NZ GLU 485.A O no hydrogen 2.962 N/A GLY 453.A N PHE 486.A O no hydrogen 3.059 N/A LYS 454.A NZ SER 450.A O no hydrogen 2.457 N/A LYS 455.A N ASP 539.A OD2 no hydrogen 2.466 N/A LYS 455.A NZ GLN 489.A OE1 no hydrogen 2.996 N/A SER 456.A N GLN 489.A O no hydrogen 2.810 N/A SER 456.A OG HIS 458.A NE2 no hydrogen 2.697 N/A CYS 457.A N VAL 540.A O no hydrogen 3.500 N/A HIS 458.A N CYS 491.A O no hydrogen 3.103 N/A HIS 458.A NE2 SER 456.A OG no hydrogen 2.697 N/A VAL 461.A N PRO 493.A O no hydrogen 2.904 N/A ARG 463.A N ALA 460.A O no hydrogen 3.049 N/A THR 464.A N ASP 395.A OD2 no hydrogen 2.603 N/A THR 464.A OG1 ASP 395.A OD2 no hydrogen 2.987 N/A THR 464.A OG1 TYR 665.A OH no hydrogen 2.786 N/A TRP 467.A N ARG 463.A O no hydrogen 2.977 N/A TRP 467.A N THR 464.A O no hydrogen 3.298 N/A ASN 468.A N ARG 463.A O no hydrogen 2.839 N/A ASN 468.A ND2 TYR 665.A OH no hydrogen 3.482 N/A ILE 469.A N THR 464.A O no hydrogen 3.027 N/A MET 471.A N TRP 467.A O no hydrogen 2.870 N/A LEU 473.A N ILE 469.A O no hydrogen 2.850 N/A ILE 474.A N PRO 470.A O no hydrogen 2.824 N/A ALA 475.A N MET 471.A O no hydrogen 2.979 N/A ALA 475.A N GLY 472.A O no hydrogen 3.235 N/A ASN 476.A N GLY 472.A O no hydrogen 3.280 N/A THR 478.A N ALA 475.A O no hydrogen 2.923 N/A GLY 479.A N ALA 475.A O no hydrogen 2.720 N/A SER 480.A N THR 478.A OG1 no hydrogen 2.936 N/A PHE 486.A N PHE 483.A O no hydrogen 3.355 N/A SER 490.A N ARG 500.A O no hydrogen 2.621 N/A SER 490.A OG ARG 500.A O no hydrogen 3.459 N/A CYS 491.A N SER 456.A O no hydrogen 2.488 N/A ALA 492.A N LEU 501.A O no hydrogen 2.567 N/A GLY 494.A N CYS 515.A O no hydrogen 2.778 N/A ALA 495.A N ALA 492.A O no hydrogen 3.383 N/A LYS 498.A N ASP 496.A O no hydrogen 2.504 N/A SER 499.A N ASP 496.A O no hydrogen 2.829 N/A SER 499.A OG ASP 496.A O no hydrogen 3.117 N/A CYS 502.A N SER 499.A O no hydrogen 2.753 N/A CYS 502.A SG ALA 495.A O no hydrogen 3.464 N/A CYS 502.A SG ASP 496.A O no hydrogen 3.543 N/A LEU 504.A N SER 490.A O no hydrogen 3.048 N/A CYS 505.A N CYS 502.A O no hydrogen 3.359 N/A GLY 511.A N ASP 508.A O no hydrogen 2.872 N/A GLY 511.A N ASP 508.A OD1 no hydrogen 2.637 N/A LEU 512.A N ASP 508.A OD1 no hydrogen 2.702 N/A LYS 514.A NZ GLY 511.A O no hydrogen 3.021 N/A CYS 515.A N GLU 521.A OE1 no hydrogen 3.285 N/A CYS 515.A SG ALA 492.A O no hydrogen 3.255 N/A ASN 518.A N VAL 516.A O no hydrogen 2.543 N/A ASN 518.A ND2 SER 375.A O no hydrogen 3.390 N/A LYS 520.A N ASN 518.A OD1 no hydrogen 2.401 N/A LYS 520.A NZ ASP 508.A OD2 no hydrogen 3.558 N/A LYS 520.A NZ ASP 513.A OD2 no hydrogen 3.126 N/A GLU 521.A N ASN 518.A O no hydrogen 3.014 N/A LYS 522.A NZ TYR 523.A OH no hydrogen 2.856 N/A TYR 523.A N GLU 521.A OE2 no hydrogen 2.328 N/A TYR 523.A OH GLU 535.A OE1 no hydrogen 2.632 N/A TYR 524.A N GLU 521.A O no hydrogen 3.188 N/A GLY 525.A N THR 459.A O no hydrogen 2.839 N/A TYR 526.A OH HIS 595.A NE2 no hydrogen 2.685 N/A THR 527.A OG1 THR 636.A O no hydrogen 2.960 N/A ALA 529.A N GLY 525.A O no hydrogen 2.867 N/A ARG 531.A N THR 527.A O no hydrogen 2.822 N/A CYS 532.A N GLY 528.A O no hydrogen 3.148 N/A LEU 533.A N ALA 529.A O no hydrogen 3.024 N/A ALA 534.A N PHE 530.A O no hydrogen 2.740 N/A GLU 535.A N ARG 531.A O no hydrogen 2.902 N/A ASP 536.A N LEU 533.A O no hydrogen 3.239 N/A ASP 539.A N LYS 455.A O no hydrogen 3.036 N/A ALA 541.A N VAL 438.A O no hydrogen 2.787 N/A PHE 542.A N CYS 457.A O no hydrogen 2.903 N/A VAL 543.A N VAL 436.A O no hydrogen 3.250 N/A ASN 545.A N LEU 434.A O no hydrogen 2.961 N/A THR 547.A N LYS 544.A O no hydrogen 3.070 N/A VAL 548.A N ASN 545.A O no hydrogen 2.755 N/A TRP 549.A NE1 ASN 545.A OD1 no hydrogen 2.698 N/A GLU 550.A N ASP 546.A O no hydrogen 2.987 N/A ASN 551.A N VAL 548.A O no hydrogen 3.449 N/A ASN 551.A ND2 THR 547.A O no hydrogen 2.984 N/A THR 552.A OG1 VAL 548.A O no hydrogen 2.644 N/A ASN 553.A N LEU 564.A O no hydrogen 3.228 N/A ALA 558.A N SER 556.A OG no hydrogen 2.922 N/A ALA 561.A N ALA 558.A O no hydrogen 2.556 N/A ASN 565.A ND2 ASP 568.A OD2 no hydrogen 3.335 N/A ARG 566.A N ASN 553.A OD1 no hydrogen 3.117 N/A ARG 566.A NE THR 552.A OG1 no hydrogen 3.351 N/A ARG 566.A NH2 THR 552.A O no hydrogen 2.995 N/A ASP 568.A N ASN 565.A O no hydrogen 3.019 N/A PHE 569.A N ARG 566.A O no hydrogen 2.986 N/A ARG 570.A N VAL 439.A O no hydrogen 2.589 N/A ARG 570.A NH2 GLU 567.A OE1 no hydrogen 3.143 N/A ARG 570.A NH2 GLU 567.A OE2 no hydrogen 3.473 N/A LEU 571.A N LYS 579.A O no hydrogen 2.674 N/A LEU 572.A N ALA 437.A O no hydrogen 2.681 N/A CYS 573.A N THR 577.A O no hydrogen 3.028 N/A CYS 573.A SG THR 577.A O no hydrogen 3.479 N/A CYS 573.A SG THR 577.A OG1 no hydrogen 3.669 N/A ARG 578.A NH2 LYS 441.A O no hydrogen 3.368 N/A LYS 579.A N LEU 571.A O no hydrogen 3.033 N/A GLU 583.A N PRO 580.A O no hydrogen 2.925 N/A LEU 589.A N ALA 435.A O no hydrogen 2.742 N/A ALA 592.A N TYR 433.A O no hydrogen 2.916 N/A ASN 594.A ND2 GLU 413.A O no hydrogen 2.986 N/A HIS 595.A NE2 TYR 526.A OH no hydrogen 2.685 N/A ALA 596.A N LEU 394.A O no hydrogen 2.867 N/A VAL 597.A N LEU 411.A O no hydrogen 2.539 N/A SER 599.A OG LEU 600.A O no hydrogen 3.387 N/A SER 601.A OG GLU 602.A OE2 no hydrogen 3.133 N/A ARG 603.A N LEU 600.A O no hydrogen 2.746 N/A ARG 603.A NH1 ARG 342.A O no hydrogen 2.599 N/A ARG 603.A NH2 ARG 341.A O no hydrogen 2.744 N/A ARG 603.A NH2 ARG 342.A O no hydrogen 3.415 N/A ARG 603.A NH2 ARG 344.A O no hydrogen 3.344 N/A ALA 604.A N LEU 600.A O no hydrogen 2.706 N/A ALA 604.A N SER 601.A O no hydrogen 2.895 N/A VAL 607.A N ARG 603.A O no hydrogen 2.707 N/A GLU 608.A N ALA 604.A O no hydrogen 2.935 N/A GLN 609.A N ALA 605.A O no hydrogen 3.041 N/A VAL 610.A N HIS 606.A O no hydrogen 2.929 N/A LEU 611.A N VAL 607.A O no hydrogen 3.076 N/A HIS 613.A N VAL 610.A O no hydrogen 2.633 N/A GLN 614.A N VAL 610.A O no hydrogen 2.874 N/A GLN 614.A NE2 VAL 610.A O no hydrogen 3.250 N/A GLN 615.A N LEU 611.A O no hydrogen 2.861 N/A GLN 615.A NE2 LEU 648.A O no hydrogen 3.135 N/A LEU 617.A N HIS 613.A O no hydrogen 3.190 N/A LEU 617.A N GLN 614.A O no hydrogen 2.581 N/A PHE 618.A N GLN 614.A O no hydrogen 2.881 N/A GLY 622.A N GLY 619.A O no hydrogen 3.203 N/A LYS 623.A N ALA 616.A O no hydrogen 3.237 N/A LYS 623.A NZ ASN 624.A OD1 no hydrogen 3.061 N/A ASN 624.A N LEU 617.A O no hydrogen 2.582 N/A CYS 625.A SG GLY 619.A O no hydrogen 3.223 N/A ASP 627.A N ASP 627.A OD1 no hydrogen 2.308 N/A LYS 628.A N ASN 624.A O no hydrogen 3.250 N/A LYS 628.A NZ GLN 364.A OE1 no hydrogen 3.369 N/A PHE 629.A N ASN 624.A O no hydrogen 2.902 N/A PHE 629.A N CYS 625.A O no hydrogen 3.242 N/A LEU 631.A N PHE 618.A O no hydrogen 2.742 N/A SER 634.A N ASP 643.A OD1 no hydrogen 2.612 N/A SER 634.A OG ASP 643.A OD1 no hydrogen 2.713 N/A SER 634.A OG ASP 643.A OD2 no hydrogen 3.073 N/A THR 636.A OG1 GLU 635.A O no hydrogen 2.761 N/A ASN 638.A N ASP 643.A OD2 no hydrogen 2.807 N/A LEU 639.A N SER 634.A OG no hydrogen 2.882 N/A LEU 640.A N GLU 354.A OE2 no hydrogen 2.432 N/A PHE 641.A N LEU 639.A O no hydrogen 2.572 N/A ASN 642.A N GLU 413.A OE1 no hydrogen 3.281 N/A ASP 643.A N ASN 638.A OD1 no hydrogen 3.000 N/A THR 645.A N ASN 642.A O no hydrogen 2.939 N/A THR 645.A OG1 GLU 413.A OE1 no hydrogen 2.693 N/A THR 645.A OG1 ASN 642.A O no hydrogen 2.613 N/A GLU 646.A N ASN 414.A O no hydrogen 2.704 N/A CYS 647.A N ASN 414.A O no hydrogen 3.236 N/A LEU 648.A N GLN 615.A OE1 no hydrogen 2.497 N/A ALA 649.A N ALA 412.A O no hydrogen 2.609 N/A LYS 650.A N VAL 426.A O no hydrogen 3.014 N/A LYS 650.A NZ GLU 608.A OE2 no hydrogen 2.538 N/A THR 656.A OG1 GLU 659.A OE2 no hydrogen 2.836 N/A GLU 659.A N THR 656.A OG1 no hydrogen 3.028 N/A TYR 660.A N THR 656.A O no hydrogen 2.784 N/A TYR 660.A N TYR 657.A O no hydrogen 2.972 N/A TYR 660.A OH ASN 594.A O no hydrogen 2.491 N/A LEU 661.A N TYR 657.A O no hydrogen 2.634 N/A GLY 662.A N GLU 658.A O no hydrogen 3.026 N/A TYR 665.A OH THR 464.A OG1 no hydrogen 2.786 N/A VAL 666.A N GLY 662.A O no hydrogen 2.430 N/A THR 667.A N THR 663.A O no hydrogen 2.729 N/A THR 667.A OG1 THR 663.A O no hydrogen 2.364 N/A THR 667.A OG1 GLU 664.A O no hydrogen 2.743 N/A ALA 668.A N GLU 664.A O no hydrogen 3.187 N/A ILE 669.A N TYR 665.A O no hydrogen 3.063 N/A ALA 670.A N VAL 666.A O no hydrogen 2.972 N/A ASN 671.A N THR 667.A O no hydrogen 2.797 N/A ASN 671.A ND2 THR 667.A O no hydrogen 3.122 N/A LEU 672.A N ALA 668.A O no hydrogen 3.098 N/A LYS 673.A N ILE 669.A O no hydrogen 2.781 N/A LYS 673.A NZ ASP 462.A OD1 no hydrogen 2.554 N/A LYS 674.A N ALA 670.A O no hydrogen 2.800 N/A CYS 675.A N LEU 672.A O no hydrogen 3.116 N/A SER 676.A N LYS 673.A O no hydrogen 2.467 N/A SER 676.A OG CYS 675.A O no hydrogen 3.113 N/A SER 678.A OG ASP 378.A OD2 no hydrogen 3.264 N/A LEU 680.A N SER 678.A OG no hydrogen 2.943 N/A LEU 681.A N SER 678.A O no hydrogen 2.535 N/A LEU 681.A N SER 678.A OG no hydrogen 3.142 N/A GLU 682.A N SER 678.A O no hydrogen 2.552 N/A ALA 683.A N PRO 679.A O no hydrogen 3.124 N/A CYS 684.A N LEU 680.A O no hydrogen 3.397 N/A CYS 684.A SG LEU 680.A O no hydrogen 3.388 N/A ALA 685.A N GLU 682.A O no hydrogen 2.925 N/A PHE 686.A N GLU 682.A O no hydrogen 3.126 N/A LEU 687.A N ALA 683.A O no hydrogen 2.679 N/A THR 688.A N CYS 684.A O no hydrogen 2.757 N/A THR 688.A OG1 CYS 684.A O no hydrogen 2.560 N/A THR 688.A OG1 ALA 685.A O no hydrogen 2.352 N/A ARG 689.A N ALA 685.A O no hydrogen 3.370 N/A