Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8roy_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLN 641.A OE1 no hydrogen 3.097 N/A SER 1.A OG ASN 627.A OD1 no hydrogen 2.705 N/A ASN 3.A N GLY 743.A O no hydrogen 2.948 N/A VAL 5.A N ILE 745.A O no hydrogen 2.976 N/A VAL 6.A N LEU 695.A O no hydrogen 2.991 N/A GLN 9.A N ILE 693.A O no hydrogen 2.822 N/A THR 12.A N ASN 690.A O no hydrogen 3.065 N/A THR 12.A OG1 ASN 354.A OD1 no hydrogen 3.395 N/A VAL 14.A N SER 325.A O no hydrogen 3.472 N/A CYS 17.A SG GLY 16.A O no hydrogen 3.435 N/A VAL 18.A N LEU 31.A O no hydrogen 3.318 N/A GLY 20.A N ASN 29.A O no hydrogen 3.128 N/A HIS 21.A ND1 ALA 25.A O no hydrogen 3.035 N/A THR 23.A OG1 ASP 27.A OD1 no hydrogen 2.888 N/A THR 23.A OG1 ASN 29.A OD1 no hydrogen 2.957 N/A SER 24.A N ASP 27.A OD1 no hydrogen 3.053 N/A ASN 29.A N GLY 20.A O no hydrogen 3.208 N/A ASN 29.A ND2 THR 23.A OG1 no hydrogen 3.158 N/A ASN 29.A ND2 ASP 27.A OD1 no hydrogen 3.200 N/A LEU 30.A N TYR 41.A O no hydrogen 3.011 N/A LEU 31.A N VAL 18.A O no hydrogen 3.229 N/A ILE 32.A N GLU 39.A O no hydrogen 3.138 N/A ALA 33.A N GLY 16.A O no hydrogen 3.453 N/A THR 36.A OG1 THR 36.A O no hydrogen 2.346 N/A THR 36.A OG1 MET 56.A O no hydrogen 2.617 N/A ARG 37.A N ALA 33.A O no hydrogen 3.298 N/A LEU 38.A N VAL 54.A O no hydrogen 3.179 N/A GLU 39.A N ILE 32.A O no hydrogen 2.943 N/A ILE 40.A N LYS 52.A O no hydrogen 2.754 N/A TYR 41.A N LEU 30.A O no hydrogen 2.898 N/A VAL 42.A N ARG 49.A O no hydrogen 3.009 N/A VAL 43.A N LEU 28.A O no hydrogen 2.974 N/A THR 44.A N GLY 47.A O no hydrogen 3.184 N/A THR 44.A OG1 GLY 47.A O no hydrogen 2.788 N/A GLY 47.A N THR 44.A O no hydrogen 2.991 N/A GLY 47.A N THR 44.A OG1 no hydrogen 3.169 N/A ARG 49.A N VAL 42.A O no hydrogen 2.926 N/A VAL 51.A N ILE 40.A O no hydrogen 2.903 N/A LYS 59.A NZ GLY 664.A O no hydrogen 3.327 N/A ALA 61.A N LEU 79.A O no hydrogen 2.906 N/A VAL 62.A N LEU 79.A O no hydrogen 3.235 N/A GLU 64.A N PHE 77.A O no hydrogen 3.266 N/A PHE 66.A N LEU 75.A O no hydrogen 3.397 N/A ARG 67.A NE SER 72.A O no hydrogen 3.421 N/A LYS 73.A NZ TYR 90.A O no hydrogen 2.444 N/A ASP 74.A N HIS 21.A O no hydrogen 3.400 N/A LEU 75.A N PHE 66.A O no hydrogen 2.802 N/A LEU 76.A N LEU 88.A O no hydrogen 2.740 N/A PHE 77.A N GLU 64.A O no hydrogen 3.034 N/A ILE 78.A N CYS 86.A O no hydrogen 3.029 N/A LEU 79.A N VAL 62.A O no hydrogen 3.303 N/A THR 80.A OG1 ASN 84.A OD1 no hydrogen 3.072 N/A ALA 81.A N LYS 59.A O no hydrogen 2.625 N/A LYS 82.A N THR 80.A OG1 no hydrogen 3.291 N/A LYS 82.A NZ PHE 728.A O no hydrogen 3.011 N/A LYS 82.A NZ TRP 729.A O no hydrogen 2.568 N/A LYS 82.A NZ SER 731.A O no hydrogen 2.976 N/A TYR 83.A N THR 80.A O no hydrogen 2.926 N/A CYS 86.A N ILE 78.A O no hydrogen 2.935 N/A CYS 86.A SG ILE 78.A O no hydrogen 3.559 N/A CYS 86.A SG ASN 84.A O no hydrogen 3.300 N/A ILE 87.A N ALA 103.A O no hydrogen 2.826 N/A LEU 88.A N LEU 76.A O no hydrogen 2.568 N/A GLU 89.A N ILE 100.A O no hydrogen 2.972 N/A LYS 91.A N ASP 98.A O no hydrogen 2.953 N/A SER 93.A N SER 96.A O no hydrogen 3.120 N/A SER 96.A N SER 93.A O no hydrogen 3.306 N/A SER 96.A OG SER 93.A O no hydrogen 2.894 N/A ALA 103.A N ILE 87.A O no hydrogen 3.218 N/A GLY 105.A N ALA 85.A O no hydrogen 3.196 N/A ASN 106.A ND2 LYS 82.A O no hydrogen 3.540 N/A VAL 107.A N TYR 83.A O no hydrogen 3.230 N/A GLN 108.A N ASN 106.A OD1 no hydrogen 2.756 N/A ASP 109.A N TYR 135.A OH no hydrogen 3.261 N/A SER 115.A N LEU 134.A O no hydrogen 3.446 N/A THR 117.A N SER 115.A OG no hydrogen 3.209 N/A ILE 120.A N ARG 133.A O no hydrogen 3.111 N/A ILE 122.A N GLY 131.A O no hydrogen 2.900 N/A ASP 124.A N MET 129.A O no hydrogen 3.137 N/A GLU 126.A N ASP 124.A OD2 no hydrogen 3.280 N/A CYS 127.A N ASP 124.A O no hydrogen 2.762 N/A CYS 127.A SG PRO 125.A O no hydrogen 3.942 N/A ARG 128.A NH2 ASP 124.A OD1 no hydrogen 3.544 N/A ILE 130.A N ILE 142.A O no hydrogen 2.948 N/A GLY 131.A N ILE 122.A O no hydrogen 2.825 N/A LEU 132.A N LYS 140.A O no hydrogen 2.766 N/A ARG 133.A N ILE 120.A O no hydrogen 2.882 N/A ARG 133.A NH1 VAL 163.A O no hydrogen 2.805 N/A ARG 133.A NH2 GLY 118.A O no hydrogen 2.872 N/A ASP 136.A N ARG 113.A O no hydrogen 3.081 N/A LEU 138.A N TYR 135.A O no hydrogen 3.402 N/A PHE 139.A N ILE 156.A O no hydrogen 3.187 N/A VAL 141.A N PHE 154.A O no hydrogen 2.996 N/A ILE 142.A N ILE 130.A O no hydrogen 2.856 N/A PHE 154.A N VAL 141.A O no hydrogen 3.064 N/A ASN 155.A ND2 ASP 109.A OD2 no hydrogen 2.804 N/A LEU 158.A N GLY 137.A O no hydrogen 2.449 N/A ILE 164.A N VAL 180.A O no hydrogen 2.838 N/A LYS 167.A N CYS 178.A O no hydrogen 3.107 N/A LYS 167.A NZ VAL 218.A O no hydrogen 3.213 N/A LEU 169.A N THR 176.A O no hydrogen 3.205 N/A CYS 172.A SG LEU 169.A O no hydrogen 3.942 N/A CYS 172.A SG ALA 174.A O no hydrogen 3.151 N/A CYS 172.A SG THR 176.A OG1 no hydrogen 3.618 N/A ILE 177.A N TYR 192.A O no hydrogen 2.983 N/A CYS 178.A N LYS 167.A O no hydrogen 2.855 N/A PHE 179.A N LYS 190.A O no hydrogen 3.150 N/A VAL 180.A N ASP 165.A O no hydrogen 3.240 N/A TYR 181.A N HIS 188.A O no hydrogen 3.070 N/A TYR 181.A OH GLN 208.A OE1 no hydrogen 2.785 N/A ASP 183.A N GLY 186.A O no hydrogen 2.712 N/A GLN 185.A N GLN 185.A OE1 no hydrogen 2.750 N/A ARG 187.A NH1 ALA 213.A O no hydrogen 3.356 N/A HIS 188.A N TYR 181.A O no hydrogen 2.941 N/A VAL 189.A N GLU 209.A O no hydrogen 3.276 N/A LYS 190.A N PHE 179.A O no hydrogen 3.061 N/A THR 191.A OG1 PRO 205.A O no hydrogen 3.072 N/A TYR 192.A N ILE 177.A O no hydrogen 3.169 N/A GLU 193.A N ASN 202.A O no hydrogen 2.953 N/A VAL 194.A N PRO 175.A O no hydrogen 2.880 N/A SER 195.A N GLU 200.A O no hydrogen 3.216 N/A GLU 200.A N SER 195.A O no hydrogen 3.330 N/A VAL 211.A N ASN 210.A OD1 no hydrogen 3.116 N/A SER 216.A N ILE 231.A O no hydrogen 3.209 N/A SER 216.A OG GLU 214.A O no hydrogen 2.590 N/A ILE 219.A N ILE 229.A O no hydrogen 2.743 N/A VAL 221.A N GLY 227.A O no hydrogen 2.984 N/A GLY 226.A N PRO 222.A O no hydrogen 2.743 N/A ALA 228.A N HIS 239.A O no hydrogen 3.059 N/A ILE 229.A N ILE 219.A O no hydrogen 2.725 N/A ILE 230.A N THR 237.A O no hydrogen 2.830 N/A ILE 231.A N MET 217.A O no hydrogen 3.075 N/A GLY 232.A N SER 235.A O no hydrogen 2.768 N/A SER 235.A N GLY 232.A O no hydrogen 2.834 N/A SER 235.A OG GLN 233.A O no hydrogen 3.338 N/A ILE 236.A N ILE 247.A O no hydrogen 2.818 N/A THR 237.A N ILE 230.A O no hydrogen 3.099 N/A TYR 238.A N LEU 245.A O no hydrogen 2.581 N/A TYR 238.A OH GLY 226.A O no hydrogen 3.164 N/A HIS 239.A N ALA 228.A O no hydrogen 2.919 N/A ASN 240.A N LYS 243.A O no hydrogen 3.117 N/A ASN 240.A ND2 TYR 238.A OH no hydrogen 2.836 N/A LEU 245.A N TYR 238.A O no hydrogen 2.880 N/A ILE 247.A N ILE 236.A O no hydrogen 2.786 N/A LYS 253.A N PRO 250.A O no hydrogen 2.952 N/A GLN 254.A N ILE 251.A O no hydrogen 3.439 N/A SER 255.A N ILE 252.A O no hydrogen 3.344 N/A VAL 258.A N GLY 273.A O no hydrogen 2.917 N/A ASN 261.A N LEU 271.A O no hydrogen 2.967 N/A ASN 261.A ND2 HIS 260.A O no hydrogen 3.492 N/A ARG 262.A NH1 TYR 170.A OH no hydrogen 3.560 N/A VAL 263.A N ARG 269.A O no hydrogen 2.766 N/A GLY 267.A N ASP 264.A O no hydrogen 2.922 N/A SER 268.A N ASN 266.A OD1 no hydrogen 2.901 N/A ARG 269.A NE ASP 264.A OD1 no hydrogen 2.678 N/A ARG 269.A NH2 ASP 264.A OD1 no hydrogen 2.912 N/A TYR 270.A N LEU 282.A O no hydrogen 2.891 N/A LEU 271.A N ASN 261.A O no hydrogen 2.960 N/A LEU 272.A N PHE 280.A O no hydrogen 2.701 N/A GLY 273.A N CYS 259.A O no hydrogen 3.132 N/A ASP 274.A N ARG 278.A O no hydrogen 3.162 N/A MET 275.A N THR 256.A O no hydrogen 3.229 N/A GLY 277.A N ASP 274.A O no hydrogen 3.278 N/A ARG 278.A NH2 SER 255.A OG no hydrogen 3.033 N/A LEU 279.A N GLY 305.A O no hydrogen 2.753 N/A PHE 280.A N LEU 272.A O no hydrogen 2.831 N/A MET 281.A N GLU 302.A O no hydrogen 2.953 N/A LEU 282.A N TYR 270.A O no hydrogen 2.670 N/A LEU 283.A N ARG 300.A O no hydrogen 2.742 N/A LEU 284.A N SER 268.A O no hydrogen 3.475 N/A GLU 285.A N ASP 298.A O no hydrogen 2.984 N/A GLN 289.A N THR 293.A O no hydrogen 3.124 N/A VAL 294.A N THR 293.A OG1 no hydrogen 2.770 N/A ASP 298.A N GLU 285.A O no hydrogen 3.274 N/A ARG 300.A N LEU 283.A O no hydrogen 3.315 N/A ARG 300.A NH1 GLU 302.A OE1 no hydrogen 3.289 N/A GLU 302.A N MET 281.A O no hydrogen 2.905 N/A LEU 304.A N LEU 279.A O no hydrogen 2.673 N/A GLY 305.A N LEU 279.A O no hydrogen 3.382 N/A THR 307.A N GLY 277.A O no hydrogen 2.472 N/A THR 307.A OG1 GLN 331.A OE1 no hydrogen 2.891 N/A SER 308.A N GLN 331.A OE1 no hydrogen 2.933 N/A SER 308.A OG ASP 329.A O no hydrogen 3.039 N/A GLU 311.A N GLY 324.A O no hydrogen 2.775 N/A CYS 312.A N GLY 324.A O no hydrogen 2.824 N/A CYS 312.A SG GLY 324.A O no hydrogen 3.745 N/A THR 314.A N PHE 322.A O no hydrogen 2.972 N/A TYR 315.A N ASN 261.A OD1 no hydrogen 3.094 N/A LEU 316.A N VAL 320.A O no hydrogen 2.878 N/A VAL 321.A N VAL 333.A O no hydrogen 2.834 N/A PHE 322.A N THR 314.A O no hydrogen 2.982 N/A VAL 323.A N GLN 331.A O no hydrogen 2.911 N/A GLY 324.A N CYS 312.A O no hydrogen 2.612 N/A SER 325.A OG ILE 309.A O no hydrogen 2.474 N/A GLN 331.A N VAL 323.A O no hydrogen 3.194 N/A LEU 332.A N GLU 350.A O no hydrogen 3.133 N/A LYS 334.A N VAL 347.A O no hydrogen 2.936 N/A LEU 335.A N GLY 319.A O no hydrogen 3.368 N/A ASN 336.A N TYR 345.A O no hydrogen 2.753 N/A SER 339.A OG ASN 340.A O no hydrogen 2.790 N/A ASN 340.A N SER 344.A O no hydrogen 2.985 N/A GLU 341.A N ASN 340.A OD1 no hydrogen 2.727 N/A TYR 345.A N LEU 304.A O no hydrogen 2.793 N/A VAL 346.A N SER 344.A OG no hydrogen 3.258 N/A VAL 347.A N LYS 334.A O no hydrogen 3.120 N/A PHE 352.A N SER 330.A O no hydrogen 3.138 N/A ASN 354.A ND2 ARG 326.A O no hydrogen 3.560 N/A ASN 354.A ND2 GLY 328.A O no hydrogen 2.581 N/A LEU 355.A N THR 12.A OG1 no hydrogen 3.055 N/A GLY 356.A N ASN 354.A OD1 no hydrogen 2.625 N/A ILE 358.A N THR 688.A O no hydrogen 3.177 N/A VAL 359.A N CYS 377.A O no hydrogen 3.232 N/A CYS 362.A N VAL 375.A O no hydrogen 3.010 N/A VAL 364.A N GLN 373.A O no hydrogen 3.227 N/A ARG 368.A N ASP 365.A O no hydrogen 2.915 N/A GLN 371.A N ARG 368.A O no hydrogen 3.416 N/A GLN 373.A N VAL 364.A O no hydrogen 3.022 N/A LEU 374.A N ILE 389.A O no hydrogen 2.899 N/A THR 376.A N ARG 387.A O no hydrogen 3.273 N/A THR 376.A OG1 ASP 360.A O no hydrogen 3.205 N/A CYS 377.A SG LYS 407.A O no hydrogen 3.907 N/A SER 378.A N SER 385.A O no hydrogen 2.767 N/A SER 378.A OG LEU 355.A O no hydrogen 2.451 N/A LYS 382.A NZ THR 307.A O no hydrogen 3.393 N/A SER 385.A N SER 378.A O no hydrogen 2.894 N/A SER 385.A OG GLU 383.A O no hydrogen 3.389 N/A LEU 386.A N VAL 399.A O no hydrogen 3.181 N/A ARG 387.A NE SER 385.A OG no hydrogen 3.223 N/A ILE 388.A N ARG 397.A O no hydrogen 3.019 N/A ILE 389.A N LEU 374.A O no hydrogen 2.737 N/A ARG 390.A N HIS 395.A O no hydrogen 3.133 N/A ARG 397.A N ILE 388.A O no hydrogen 3.338 N/A ARG 397.A NH1 HIS 460.A O no hydrogen 3.527 N/A VAL 399.A N LEU 386.A O no hydrogen 3.007 N/A LEU 401.A N GLY 384.A O no hydrogen 2.682 N/A SER 404.A N SER 422.A O no hydrogen 3.131 N/A ARG 406.A N LEU 420.A O no hydrogen 3.026 N/A CYS 409.A N GLY 418.A O no hydrogen 3.060 N/A CYS 409.A SG ILE 408.A O no hydrogen 2.933 N/A CYS 409.A SG LEU 479.A O no hydrogen 3.491 N/A GLN 411.A N CYS 416.A O no hydrogen 3.072 N/A GLN 415.A N GLU 412.A O no hydrogen 3.227 N/A CYS 416.A N GLN 411.A O no hydrogen 3.191 N/A CYS 416.A SG SER 414.A O no hydrogen 3.053 N/A PHE 417.A N ILE 457.A O no hydrogen 2.489 N/A VAL 419.A N LEU 455.A O no hydrogen 2.931 N/A LEU 420.A N LYS 407.A O no hydrogen 3.184 N/A SER 421.A N ASN 453.A O no hydrogen 3.184 N/A SER 421.A OG ASN 453.A O no hydrogen 3.480 N/A SER 422.A N SER 404.A O no hydrogen 2.881 N/A ARG 423.A N VAL 451.A O no hydrogen 2.992 N/A ARG 423.A NE GLU 425.A OE1 no hydrogen 3.213 N/A ARG 423.A NH2 GLU 425.A OE1 no hydrogen 3.165 N/A GLU 425.A N VAL 449.A O no hydrogen 2.752 N/A VAL 426.A N THR 427.A O no hydrogen 2.965 N/A ALA 428.A N THR 427.A OG1 no hydrogen 2.598 N/A SER 432.A OG ARG 430.A O no hydrogen 3.065 N/A ALA 433.A N LEU 401.A O no hydrogen 3.308 N/A GLN 436.A N SER 432.A O no hydrogen 3.216 N/A SER 439.A N LEU 465.A O no hydrogen 3.169 N/A SER 440.A OG ALA 467.A O no hydrogen 3.257 N/A SER 441.A N ALA 467.A O no hydrogen 3.316 N/A SER 441.A OG HIS 466.A NE2 no hydrogen 2.896 N/A SER 441.A OG HIS 468.A ND1 no hydrogen 2.677 N/A SER 443.A N GLN 469.A O no hydrogen 2.854 N/A VAL 449.A N GLU 425.A O no hydrogen 2.696 N/A VAL 451.A N ARG 423.A O no hydrogen 3.222 N/A ASN 453.A N SER 421.A O no hydrogen 3.049 N/A LEU 455.A N VAL 419.A O no hydrogen 2.919 N/A ILE 456.A N HIS 466.A O no hydrogen 3.029 N/A ILE 457.A N PHE 417.A O no hydrogen 2.810 N/A ASP 458.A N GLU 463.A O no hydrogen 3.259 N/A HIS 466.A NE2 SER 441.A OG no hydrogen 2.896 N/A ALA 467.A N SER 439.A O no hydrogen 3.146 N/A GLN 469.A N SER 441.A O no hydrogen 2.623 N/A PHE 470.A N HIS 452.A O no hydrogen 3.094 N/A GLU 474.A N LEU 471.A O no hydrogen 3.199 N/A TYR 475.A N ALA 497.A O no hydrogen 2.609 N/A ALA 476.A N HIS 452.A ND1 no hydrogen 3.357 N/A LEU 477.A N GLY 495.A O no hydrogen 2.727 N/A SER 478.A N GLY 495.A O no hydrogen 2.996 N/A VAL 480.A N ILE 493.A O no hydrogen 2.586 N/A SER 481.A OG TYR 491.A O no hydrogen 3.536 N/A CYS 482.A N TYR 491.A O no hydrogen 3.440 N/A LYS 483.A NZ PRO 488.A O no hydrogen 2.828 N/A LEU 484.A N ASP 487.A OD1 no hydrogen 3.367 N/A GLY 485.A N GLY 541.A O no hydrogen 3.245 N/A ASP 487.A N LEU 484.A O no hydrogen 3.338 N/A ASN 489.A ND2 TYR 491.A OH no hydrogen 3.309 N/A TYR 491.A N CYS 482.A O no hydrogen 3.324 N/A PHE 492.A N PHE 514.A O no hydrogen 2.615 N/A VAL 494.A N VAL 512.A O no hydrogen 3.246 N/A GLY 495.A N SER 478.A O no hydrogen 2.448 N/A THR 496.A N ARG 510.A O no hydrogen 3.116 N/A THR 496.A OG1 ARG 510.A O no hydrogen 3.419 N/A ALA 497.A N TYR 475.A O no hydrogen 2.730 N/A MET 498.A N GLN 508.A O no hydrogen 2.975 N/A VAL 499.A N ASN 473.A O no hydrogen 2.948 N/A ARG 510.A N THR 496.A O no hydrogen 3.093 N/A ILE 511.A N LYS 527.A O no hydrogen 2.728 N/A VAL 513.A N ALA 525.A O no hydrogen 3.011 N/A PHE 514.A N PHE 492.A O no hydrogen 3.041 N/A GLN 515.A N GLN 522.A O no hydrogen 3.023 N/A SER 517.A N LYS 520.A O no hydrogen 2.802 N/A SER 517.A OG GLN 522.A OE1 no hydrogen 2.926 N/A LYS 520.A N SER 517.A O no hydrogen 2.858 N/A GLN 522.A N GLN 515.A O no hydrogen 3.056 N/A GLN 522.A NE2 GLN 515.A OE1 no hydrogen 3.481 N/A GLN 522.A NE2 SER 517.A OG no hydrogen 3.032 N/A VAL 524.A N VAL 513.A O no hydrogen 3.279 N/A LYS 527.A N ILE 511.A O no hydrogen 2.704 N/A PHE 539.A N LYS 542.A O no hydrogen 2.777 N/A ASN 540.A ND2 GLY 581.A O no hydrogen 3.431 N/A GLY 541.A N GLU 538.A OE2 no hydrogen 2.449 N/A LYS 542.A N PHE 539.A O no hydrogen 2.787 N/A LEU 543.A N TYR 554.A O no hydrogen 3.069 N/A LEU 544.A N VAL 537.A O no hydrogen 2.920 N/A SER 546.A N SER 535.A O no hydrogen 2.790 N/A SER 546.A OG ILE 547.A O no hydrogen 3.446 N/A SER 546.A OG THR 550.A O no hydrogen 3.449 N/A SER 546.A OG ALA 574.A O no hydrogen 2.735 N/A ILE 547.A N THR 550.A O no hydrogen 2.994 N/A SER 549.A OG ILE 572.A O no hydrogen 2.581 N/A THR 550.A N ILE 547.A O no hydrogen 2.950 N/A ARG 552.A N ALA 545.A O no hydrogen 3.152 N/A LEU 553.A N CYS 566.A O no hydrogen 3.191 N/A TYR 554.A N LEU 543.A O no hydrogen 3.054 N/A GLU 555.A N ARG 563.A O no hydrogen 2.886 N/A THR 557.A N GLU 561.A O no hydrogen 3.178 N/A THR 557.A OG1 GLU 561.A O no hydrogen 3.358 N/A GLU 559.A N THR 557.A OG1 no hydrogen 3.182 N/A LYS 560.A N THR 557.A O no hydrogen 3.109 N/A ARG 563.A N GLU 555.A O no hydrogen 3.185 N/A GLU 565.A N LEU 553.A O no hydrogen 2.714 N/A CYS 566.A SG GLY 603.A O no hydrogen 3.780 N/A HIS 568.A N VAL 551.A O no hydrogen 3.131 N/A ASN 571.A N TYR 569.A O no hydrogen 2.736 N/A ILE 572.A N ASP 588.A OD2 no hydrogen 2.897 N/A MET 573.A N ASP 588.A OD1 no hydrogen 2.889 N/A MET 573.A N ASP 588.A OD2 no hydrogen 3.326 N/A TYR 576.A OH MET 617.A O no hydrogen 3.016 N/A LYS 578.A N LEU 585.A O no hydrogen 3.121 N/A LYS 580.A N PHE 583.A O no hydrogen 3.225 N/A PHE 583.A N LYS 580.A O no hydrogen 2.887 N/A ILE 584.A N LEU 596.A O no hydrogen 3.403 N/A LEU 585.A N LYS 578.A O no hydrogen 2.831 N/A VAL 586.A N LEU 594.A O no hydrogen 3.018 N/A GLY 587.A N TYR 576.A O no hydrogen 2.971 N/A ASP 588.A N SER 592.A O no hydrogen 2.997 N/A LEU 589.A N MET 573.A O no hydrogen 3.156 N/A MET 590.A N ASP 588.A OD1 no hydrogen 3.503 N/A ARG 591.A NH1 ASN 570.A O no hydrogen 3.190 N/A ARG 591.A NH1 ASN 570.A OD1 no hydrogen 2.732 N/A ARG 591.A NH2 ASN 570.A OD1 no hydrogen 2.766 N/A SER 592.A N ASN 615.A O no hydrogen 3.269 N/A LEU 594.A N VAL 586.A O no hydrogen 2.977 N/A LEU 595.A N ALA 609.A O no hydrogen 2.790 N/A LEU 596.A N ILE 584.A O no hydrogen 2.867 N/A LYS 599.A N ASN 604.A O no hydrogen 3.377 N/A GLY 603.A N LYS 599.A O no hydrogen 2.398 N/A GLU 606.A N ALA 597.A O no hydrogen 3.003 N/A ILE 608.A N LEU 595.A O no hydrogen 3.317 N/A ASP 611.A N VAL 593.A O no hydrogen 3.020 N/A ASN 615.A ND2 SER 592.A OG no hydrogen 3.348 N/A SER 618.A N ALA 631.A O no hydrogen 2.721 N/A SER 618.A OG ALA 631.A O no hydrogen 3.001 N/A SER 618.A OG VAL 667.A O no hydrogen 2.774 N/A ALA 619.A N ALA 631.A O no hydrogen 3.467 N/A GLU 621.A N LEU 629.A O no hydrogen 2.953 N/A ASP 624.A N ASN 627.A O no hydrogen 3.155 N/A PHE 628.A N CYS 640.A O no hydrogen 3.040 N/A GLY 630.A N PHE 638.A O no hydrogen 2.889 N/A ALA 631.A N ALA 619.A O no hydrogen 3.010 N/A GLU 632.A N ASN 636.A O no hydrogen 3.238 N/A ASN 633.A N TRP 616.A O no hydrogen 2.708 N/A PHE 635.A N GLU 632.A O no hydrogen 3.229 N/A LEU 637.A N PHE 661.A O no hydrogen 2.550 N/A PHE 638.A N GLY 630.A O no hydrogen 2.998 N/A VAL 639.A N GLY 659.A O no hydrogen 3.199 N/A CYS 640.A N PHE 628.A O no hydrogen 3.132 N/A CYS 640.A SG PHE 628.A O no hydrogen 3.748 N/A GLN 641.A N GLN 656.A O no hydrogen 3.372 N/A LYS 642.A N ASP 626.A O no hydrogen 3.189 N/A ALA 645.A N ASP 643.A OD1 no hydrogen 2.953 N/A ARG 652.A N THR 648.A O no hydrogen 2.617 N/A GLN 653.A N ASP 649.A O no hydrogen 3.202 N/A HIS 654.A N GLU 651.A O no hydrogen 3.026 N/A LEU 655.A N ARG 610.A O no hydrogen 3.218 N/A VAL 658.A N VAL 639.A O no hydrogen 3.018 N/A LEU 660.A N THR 742.A O no hydrogen 2.956 N/A PHE 661.A N LEU 637.A O no hydrogen 2.794 N/A HIS 662.A N ARG 730.A O no hydrogen 3.064 N/A GLY 664.A N PHE 635.A O no hydrogen 2.861 N/A ASN 668.A N GLY 687.A O no hydrogen 2.764 N/A ASN 668.A ND2 ILE 358.A O no hydrogen 3.587 N/A CYS 671.A N LEU 685.A O no hydrogen 2.866 N/A GLN 678.A N GLY 370.A O no hydrogen 3.111 N/A VAL 684.A N VAL 696.A O no hydrogen 2.959 N/A LEU 685.A N CYS 671.A O no hydrogen 2.949 N/A PHE 686.A N GLY 694.A O no hydrogen 3.187 N/A GLY 687.A N VAL 669.A O no hydrogen 3.087 N/A THR 688.A N MET 692.A O no hydrogen 3.144 N/A THR 688.A OG1 MET 692.A O no hydrogen 2.990 N/A VAL 689.A N PHE 666.A O no hydrogen 2.865 N/A GLY 691.A N THR 688.A O no hydrogen 3.337 N/A ILE 693.A N GLN 9.A O no hydrogen 3.081 N/A GLY 694.A N PHE 686.A O no hydrogen 3.223 N/A LEU 695.A N VAL 6.A O no hydrogen 2.841 N/A VAL 696.A N VAL 684.A O no hydrogen 2.927 N/A THR 697.A N TYR 4.A O no hydrogen 3.067 N/A THR 697.A OG1 TYR 4.A O no hydrogen 3.136 N/A LEU 699.A N TYR 2.A O no hydrogen 2.779 N/A SER 700.A OG SER 702.A OG no hydrogen 3.098 N/A SER 702.A OG SER 700.A OG no hydrogen 3.098 N/A TRP 703.A N SER 700.A OG no hydrogen 3.249 N/A TYR 704.A N SER 700.A O no hydrogen 2.812 N/A ASN 705.A N GLU 701.A O no hydrogen 2.917 N/A LEU 706.A N SER 702.A O no hydrogen 2.922 N/A LEU 707.A N TRP 703.A O no hydrogen 2.897 N/A LEU 708.A N TYR 704.A O no hydrogen 2.873 N/A ASP 709.A N ASN 705.A O no hydrogen 2.945 N/A MET 710.A N LEU 706.A O no hydrogen 2.900 N/A GLN 711.A N LEU 707.A O no hydrogen 2.854 N/A ASN 712.A N LEU 708.A O no hydrogen 2.914 N/A ARG 713.A N ASP 709.A O no hydrogen 2.942 N/A LEU 714.A N MET 710.A O no hydrogen 2.845 N/A ASN 715.A N GLN 711.A O no hydrogen 2.931 N/A LYS 716.A N ARG 713.A O no hydrogen 3.236 N/A VAL 717.A N LEU 714.A O no hydrogen 2.865 N/A SER 720.A OG VAL 721.A O no hydrogen 3.366 N/A SER 720.A OG ILE 724.A O no hydrogen 3.223 N/A GLY 722.A N THR 101.A OG1 no hydrogen 3.293 N/A LYS 723.A N SER 720.A O no hydrogen 2.846 N/A ILE 724.A N SER 720.A OG no hydrogen 3.406 N/A HIS 726.A NE2 ASP 746.A OD2 no hydrogen 2.972 N/A TRP 729.A N GLU 725.A O no hydrogen 2.911 N/A ARG 730.A N HIS 726.A O no hydrogen 2.908 N/A ARG 730.A NH1 HIS 662.A O no hydrogen 3.172 N/A ARG 730.A NH1 LEU 663.A O no hydrogen 3.073 N/A ARG 730.A NH2 ASP 746.A OD1 no hydrogen 2.662 N/A SER 731.A N PHE 728.A O no hydrogen 3.346 N/A SER 731.A OG PHE 728.A O no hydrogen 2.606 N/A THR 734.A N LYS 737.A O no hydrogen 2.945 N/A THR 738.A OG1 PHE 732.A O no hydrogen 2.888 N/A GLU 739.A N PHE 732.A O no hydrogen 2.767 N/A THR 742.A N LEU 660.A O no hydrogen 3.053 N/A GLY 743.A N TYR 704.A OH no hydrogen 2.840 N/A ILE 745.A N ASN 3.A O no hydrogen 3.123 N/A GLY 747.A N VAL 5.A O no hydrogen 2.368 N/A LEU 749.A N ASP 746.A OD2 no hydrogen 3.170 N/A ILE 750.A N ASP 746.A O no hydrogen 3.184 N/A GLU 751.A N GLY 747.A O no hydrogen 2.839 N/A SER 752.A N ASP 748.A O no hydrogen 3.264 N/A SER 752.A N LEU 749.A O no hydrogen 3.081 N/A PHE 753.A N ILE 750.A O no hydrogen 3.043 N/A ASP 755.A N SER 752.A O no hydrogen 2.878 N/A MET 761.A N SER 757.A O no hydrogen 2.809 N/A GLN 762.A N ARG 758.A O no hydrogen 2.905 N/A GLU 763.A N PRO 759.A O no hydrogen 2.880 N/A VAL 764.A N LYS 760.A O no hydrogen 2.925 N/A VAL 765.A N MET 761.A O no hydrogen 3.387 N/A VAL 765.A N GLN 762.A O no hydrogen 3.154 N/A ALA 766.A N GLU 763.A O no hydrogen 3.414 N/A ALA 770.A N LEU 768.A O no hydrogen 3.007 N/A THR 771.A OG1 ALA 770.A O no hydrogen 2.566 N/A ILE 776.A N ALA 772.A O no hydrogen 3.080 N/A LYS 777.A N ASP 773.A O no hydrogen 2.887 N/A VAL 778.A N ASP 774.A O no hydrogen 2.935 N/A VAL 779.A N LEU 775.A O no hydrogen 2.906 N/A GLU 780.A N ILE 776.A O no hydrogen 2.889 N/A GLU 781.A N LYS 777.A O no hydrogen 2.915 N/A LEU 782.A N VAL 778.A O no hydrogen 2.916 N/A THR 783.A N VAL 779.A O no hydrogen 2.874 N/A THR 783.A OG1 VAL 779.A O no hydrogen 2.859 N/A ARG 784.A N GLU 780.A O no hydrogen 2.912 N/A ILE 785.A N LEU 782.A O no hydrogen 3.454 N/A HIS 786.A N THR 783.A O no hydrogen 3.253 N/A