Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ff4_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N GLU 6.A OE1 no hydrogen 2.930 N/A LYS 8.A N ASP 7.A OD1 no hydrogen 2.686 N/A TYR 10.A N LYS 8.A O no hydrogen 2.507 N/A THR 13.A N GLU 16.A OE2 no hydrogen 2.976 N/A THR 13.A OG1 GLU 16.A OE2 no hydrogen 2.963 N/A VAL 17.A N ALA 14.A O no hydrogen 3.157 N/A GLN 32.A NE2 PRO 37.A O no hydrogen 3.456 N/A GLU 36.A N PRO 33.A O no hydrogen 2.851 N/A LYS 40.A NZ GLU 36.A OE2 no hydrogen 3.473 N/A LYS 40.A NZ PRO 37.A O no hydrogen 3.147 N/A PHE 47.A N ASP 430.A OD1 no hydrogen 2.962 N/A THR 48.A OG1 ILE 115.A O no hydrogen 2.462 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.800 N/A PHE 63.A N GLU 60.A O no hydrogen 3.094 N/A LEU 64.A N GLU 60.A O no hydrogen 3.066 N/A ASP 66.A N PHE 63.A O no hydrogen 3.188 N/A LEU 67.A N PHE 63.A O no hydrogen 2.864 N/A SER 71.A N MET 68.A O no hydrogen 3.325 N/A SER 71.A OG MET 68.A O no hydrogen 2.302 N/A GLU 72.A N ASP 69.A O no hydrogen 3.100 N/A VAL 77.A N ASN 146.A O no hydrogen 3.203 N/A THR 78.A N GLY 169.A O no hydrogen 2.376 N/A THR 78.A OG1 THR 78.A O no hydrogen 2.605 N/A THR 78.A OG1 GLY 169.A O no hydrogen 3.105 N/A LEU 79.A N MET 148.A O no hydrogen 2.932 N/A CYS 80.A N VAL 171.A O no hydrogen 3.320 N/A CYS 80.A SG VAL 170.A O no hydrogen 3.833 N/A HIS 82.A ND1 HIS 85.A NE2 no hydrogen 3.046 N/A HIS 85.A NE2 HIS 82.A ND1 no hydrogen 3.046 N/A LYS 87.A NZ CYS 80.A O no hydrogen 2.283 N/A LYS 87.A NZ THR 150.A O no hydrogen 2.967 N/A CYS 89.A SG SER 257.A O no hydrogen 3.408 N/A CYS 89.A SG SER 257.A OG no hydrogen 2.918 N/A PHE 90.A N GLY 86.A O no hydrogen 2.740 N/A VAL 91.A N LYS 87.A O no hydrogen 2.949 N/A CYS 93.A N CYS 89.A O no hydrogen 2.904 N/A CYS 93.A SG CYS 89.A O no hydrogen 3.274 N/A CYS 93.A SG SER 257.A O no hydrogen 3.180 N/A CYS 93.A SG SER 257.A OG no hydrogen 3.282 N/A LEU 94.A N PHE 90.A O no hydrogen 3.036 N/A ILE 95.A N VAL 91.A O no hydrogen 2.920 N/A GLU 96.A N ASP 92.A O no hydrogen 2.903 N/A GLN 97.A N CYS 93.A O no hydrogen 2.946 N/A THR 98.A N LEU 94.A O no hydrogen 2.936 N/A THR 98.A OG1 LEU 94.A O no hydrogen 3.117 N/A HIS 99.A N ILE 95.A O no hydrogen 2.889 N/A HIS 99.A ND1 ILE 95.A O no hydrogen 3.089 N/A HIS 99.A NE2 TYR 482.A OH no hydrogen 2.839 N/A LYS 104.A NZ GLU 96.A OE1 no hydrogen 2.404 N/A GLN 108.A N ASP 107.A OD1 no hydrogen 2.815 N/A CYS 111.A SG ASP 109.A OD2 no hydrogen 3.712 N/A TYR 112.A N LEU 110.A O no hydrogen 2.644 N/A THR 113.A OG1 ASP 92.A OD1 no hydrogen 2.876 N/A LEU 116.A N GLU 119.A OE2 no hydrogen 2.821 N/A GLU 119.A N LEU 116.A O no hydrogen 3.199 N/A GLN 120.A N LEU 116.A O no hydrogen 2.917 N/A GLN 120.A NE2 ASP 114.A O no hydrogen 3.177 N/A GLY 123.A N GLU 119.A O no hydrogen 2.924 N/A ILE 126.A N GLU 119.A OE1 no hydrogen 2.736 N/A SER 128.A N GLU 159.A OE2 no hydrogen 2.431 N/A SER 128.A OG ASP 149.A O no hydrogen 3.158 N/A SER 128.A OG ASP 149.A OD1 no hydrogen 2.861 N/A THR 129.A OG1 ALA 480.A O no hydrogen 2.873 N/A VAL 131.A N ILE 147.A O no hydrogen 2.699 N/A THR 132.A OG1 SER 478.A O no hydrogen 3.178 N/A VAL 134.A N TYR 59.A OH no hydrogen 2.382 N/A THR 138.A OG1 TYR 281.A OH no hydrogen 2.504 N/A GLY 140.A N ASP 137.A OD1 no hydrogen 2.682 N/A SER 142.A OG LYS 141.A O no hydrogen 2.508 N/A TYR 143.A N LEU 135.A O no hydrogen 3.099 N/A PHE 145.A N ILE 74.A O no hydrogen 2.982 N/A ILE 147.A N VAL 131.A O no hydrogen 2.755 N/A MET 148.A N VAL 77.A O no hydrogen 2.903 N/A ASP 149.A N SER 128.A OG no hydrogen 3.391 N/A THR 150.A OG1 PRO 151.A O no hydrogen 3.183 N/A ASN 155.A ND2 HIS 153.A NE2 no hydrogen 3.087 N/A PHE 156.A N HIS 153.A O no hydrogen 2.936 N/A SER 157.A N VAL 154.A O no hydrogen 2.963 N/A SER 157.A OG VAL 154.A O no hydrogen 2.342 N/A THR 161.A OG1 SER 157.A O no hydrogen 3.208 N/A THR 161.A OG1 HIS 190.A NE2 no hydrogen 2.930 N/A ALA 162.A N ASP 158.A O no hydrogen 3.296 N/A GLY 163.A N VAL 160.A O no hydrogen 2.945 N/A LEU 164.A N VAL 160.A O no hydrogen 2.871 N/A ARG 165.A N THR 161.A O no hydrogen 3.080 N/A ILE 166.A N GLY 163.A O no hydrogen 3.024 N/A SER 167.A N GLY 163.A O no hydrogen 2.868 N/A SER 167.A OG ASN 76.A O no hydrogen 2.713 N/A GLY 169.A N ASN 76.A O no hydrogen 3.150 N/A GLY 169.A N SER 167.A OG no hydrogen 3.237 N/A LEU 172.A N THR 199.A O no hydrogen 2.994 N/A ALA 176.A N ASN 203.A O no hydrogen 2.805 N/A ALA 177.A N ASP 175.A OD1 no hydrogen 2.790 N/A GLU 178.A N ASP 175.A O no hydrogen 3.470 N/A GLY 179.A N ASP 175.A O no hydrogen 2.990 N/A ASN 183.A ND2 GLY 152.A O no hydrogen 2.583 N/A GLU 185.A N MET 181.A O no hydrogen 3.031 N/A ARG 186.A N LEU 182.A O no hydrogen 2.954 N/A ARG 186.A NH1 SER 157.A OG no hydrogen 2.991 N/A ARG 186.A NH2 ASN 528.A O no hydrogen 2.722 N/A LEU 187.A N THR 184.A O no hydrogen 3.206 N/A ILE 188.A N THR 184.A O no hydrogen 2.928 N/A LYS 189.A N GLU 185.A O no hydrogen 3.005 N/A HIS 190.A N ARG 186.A O no hydrogen 2.921 N/A ALA 191.A N LEU 187.A O no hydrogen 2.885 N/A VAL 192.A N ILE 188.A O no hydrogen 2.912 N/A GLN 193.A N LYS 189.A O no hydrogen 2.948 N/A GLN 193.A NE2 GLU 648.A OE2 no hydrogen 3.429 N/A GLU 194.A N HIS 190.A O no hydrogen 3.333 N/A ARG 195.A N VAL 192.A O no hydrogen 2.982 N/A ARG 195.A NH2 GLU 395.A OE1 no hydrogen 2.318 N/A LEU 196.A N ALA 191.A O no hydrogen 2.904 N/A ALA 197.A N ASP 168.A O no hydrogen 3.249 N/A ALA 197.A N ASP 168.A OD2 no hydrogen 3.225 N/A THR 199.A N ALA 197.A O no hydrogen 2.920 N/A THR 199.A OG1 ASN 251.A O no hydrogen 2.427 N/A CYS 201.A N LEU 172.A O no hydrogen 2.482 N/A CYS 201.A SG CYS 253.A O no hydrogen 3.502 N/A CYS 201.A SG SER 255.A OG no hydrogen 3.703 N/A ASN 203.A N ILE 174.A O no hydrogen 2.477 N/A ASN 203.A ND2 HIS 85.A O no hydrogen 3.141 N/A LYS 204.A N ASN 203.A OD1 no hydrogen 2.758 N/A LYS 204.A NZ HIS 84.A O no hydrogen 2.786 N/A ILE 205.A N SER 255.A O no hydrogen 3.433 N/A ILE 205.A N SER 256.A OG no hydrogen 3.286 N/A ASP 206.A N SER 256.A OG no hydrogen 3.088 N/A ARG 207.A N ASP 206.A OD1 no hydrogen 2.630 N/A LEU 208.A N LYS 204.A O no hydrogen 3.233 N/A ILE 209.A N ILE 205.A O no hydrogen 2.995 N/A ILE 209.A N ASP 206.A O no hydrogen 2.992 N/A LEU 210.A N ASP 206.A O no hydrogen 2.548 N/A ALA 219.A N PRO 215.A O no hydrogen 2.989 N/A TYR 220.A N PRO 216.A O no hydrogen 2.936 N/A TYR 221.A N THR 217.A O no hydrogen 2.914 N/A LYS 222.A N ASP 218.A O no hydrogen 2.928 N/A LYS 222.A NZ ALA 176.A O no hydrogen 2.895 N/A LYS 222.A NZ PRO 809.A O no hydrogen 3.191 N/A LEU 223.A N ALA 219.A O no hydrogen 2.967 N/A ARG 224.A N TYR 220.A O no hydrogen 2.826 N/A ARG 224.A NH1 TYR 220.A OH no hydrogen 2.596 N/A HIS 225.A N TYR 221.A O no hydrogen 2.910 N/A ILE 226.A N LYS 222.A O no hydrogen 2.919 N/A VAL 227.A N LEU 223.A O no hydrogen 2.963 N/A ASP 228.A N ARG 224.A O no hydrogen 2.906 N/A GLU 229.A N HIS 225.A O no hydrogen 2.879 N/A VAL 230.A N ILE 226.A O no hydrogen 3.010 N/A ASN 231.A N VAL 227.A O no hydrogen 2.912 N/A ASN 231.A ND2 LEU 245.A O no hydrogen 2.667 N/A GLY 232.A N ASP 228.A O no hydrogen 2.900 N/A LEU 233.A N GLU 229.A O no hydrogen 2.915 N/A ILE 234.A N VAL 230.A O no hydrogen 2.902 N/A SER 235.A N ASN 231.A O no hydrogen 2.957 N/A SER 235.A OG ASN 231.A O no hydrogen 3.085 N/A TYR 237.A N ILE 234.A O no hydrogen 3.420 N/A LEU 243.A N ASP 240.A O no hydrogen 2.798 N/A LEU 245.A N ASN 231.A OD1 no hydrogen 2.761 N/A GLY 250.A N PRO 247.A O no hydrogen 2.927 N/A ASN 251.A N SER 246.A O no hydrogen 3.296 N/A ASN 251.A ND2 THR 199.A OG1 no hydrogen 3.161 N/A ASN 251.A ND2 ASN 251.A O no hydrogen 2.710 N/A CYS 253.A N VAL 200.A O no hydrogen 3.376 N/A SER 255.A OG PHE 254.A O no hydrogen 2.535 N/A SER 255.A OG ILE 261.A O no hydrogen 3.243 N/A SER 256.A N ILE 261.A O no hydrogen 3.444 N/A SER 256.A OG SER 255.A O no hydrogen 3.030 N/A SER 257.A N ASN 203.A OD1 no hydrogen 3.232 N/A TYR 259.A N SER 256.A O no hydrogen 3.328 N/A SER 260.A OG TYR 259.A O no hydrogen 2.612 N/A SER 260.A OG SER 260.A O no hydrogen 2.578 N/A ILE 261.A N SER 256.A O no hydrogen 3.200 N/A CYS 262.A SG GLU 371.A O no hydrogen 3.231 N/A THR 264.A OG1 VAL 252.A O no hydrogen 3.156 N/A SER 267.A N THR 264.A O no hydrogen 2.692 N/A SER 267.A OG THR 264.A O no hydrogen 2.459 N/A PHE 268.A N THR 264.A O no hydrogen 2.721 N/A ALA 269.A N LEU 265.A O no hydrogen 2.930 N/A TYR 272.A N PHE 268.A O no hydrogen 2.955 N/A ALA 273.A N LYS 270.A O no hydrogen 2.759 N/A ASP 274.A N LYS 270.A O no hydrogen 2.777 N/A ARG 287.A N PHE 284.A O no hydrogen 3.258 N/A TRP 289.A N ASP 291.A OD1 no hydrogen 3.400 N/A ILE 292.A N THR 302.A O no hydrogen 3.425 N/A TYR 293.A OH THR 298.A O no hydrogen 3.393 N/A THR 302.A N ILE 292.A O no hydrogen 2.687 N/A THR 302.A OG1 ILE 292.A O no hydrogen 3.140 N/A THR 302.A OG1 LYS 304.A O no hydrogen 2.272 N/A LYS 304.A N THR 302.A OG1 no hydrogen 3.136 N/A THR 307.A N SER 310.A OG no hydrogen 3.048 N/A SER 309.A OG SER 309.A O no hydrogen 2.508 N/A SER 310.A OG THR 307.A O no hydrogen 2.551 N/A SER 313.A N ASP 291.A O no hydrogen 3.404 N/A SER 313.A OG ASP 291.A O no hydrogen 3.331 N/A VAL 315.A N ARG 312.A O no hydrogen 3.256 N/A GLU 316.A N SER 313.A O no hydrogen 3.351 N/A PHE 317.A N SER 313.A O no hydrogen 2.971 N/A LEU 319.A N PHE 314.A O no hydrogen 2.997 N/A TYR 323.A N LEU 319.A O no hydrogen 2.919 N/A TYR 323.A OH LEU 214.A O no hydrogen 2.472 N/A LYS 324.A N GLU 320.A O no hydrogen 2.989 N/A ILE 325.A N PRO 321.A O no hydrogen 2.893 N/A LEU 326.A N LEU 322.A O no hydrogen 2.923 N/A ALA 327.A N TYR 323.A O no hydrogen 2.762 N/A GLN 328.A N LYS 324.A O no hydrogen 2.969 N/A VAL 329.A N ILE 325.A O no hydrogen 2.953 N/A VAL 329.A N LEU 326.A O no hydrogen 3.283 N/A VAL 330.A N LEU 326.A O no hydrogen 3.034 N/A GLY 331.A N ALA 327.A O no hydrogen 2.882 N/A ASP 334.A N ASP 334.A OD1 no hydrogen 2.420 N/A THR 335.A N ASP 334.A OD1 no hydrogen 2.750 N/A SER 336.A OG GLN 328.A OE1 no hydrogen 2.549 N/A THR 340.A N SER 336.A O no hydrogen 3.367 N/A THR 340.A OG1 SER 336.A O no hydrogen 3.442 N/A THR 340.A OG1 LEU 337.A O no hydrogen 3.008 N/A LEU 341.A N LEU 337.A O no hydrogen 2.902 N/A ASP 342.A N PRO 338.A O no hydrogen 2.866 N/A GLU 343.A N ARG 339.A O no hydrogen 2.904 N/A LEU 344.A N THR 340.A O no hydrogen 2.893 N/A ILE 346.A N LEU 341.A O no hydrogen 2.907 N/A THR 349.A N GLU 352.A OE2 no hydrogen 2.704 N/A LYS 350.A N THR 349.A OG1 no hydrogen 2.644 N/A LYS 354.A N GLU 351.A O no hydrogen 3.308 N/A LEU 360.A N ASN 356.A O no hydrogen 2.965 N/A LEU 361.A N ILE 357.A O no hydrogen 2.992 N/A ARG 362.A N ARG 358.A O no hydrogen 3.014 N/A LEU 363.A N PRO 359.A O no hydrogen 2.921 N/A VAL 364.A N LEU 360.A O no hydrogen 2.904 N/A CYS 365.A N LEU 361.A O no hydrogen 3.017 N/A CYS 365.A SG TYR 259.A O no hydrogen 3.183 N/A CYS 365.A SG LEU 361.A O no hydrogen 3.156 N/A CYS 365.A SG ARG 362.A O no hydrogen 3.751 N/A LYS 366.A N ARG 362.A O no hydrogen 2.919 N/A LYS 367.A N LEU 363.A O no hydrogen 2.935 N/A PHE 368.A N VAL 364.A O no hydrogen 2.945 N/A PHE 369.A N CYS 365.A O no hydrogen 2.903 N/A GLY 370.A N LYS 366.A O no hydrogen 2.941 N/A THR 373.A N GLU 371.A O no hydrogen 2.813 N/A THR 373.A OG1 GLU 371.A O no hydrogen 3.500 N/A ASP 377.A N THR 373.A O no hydrogen 2.962 N/A MET 378.A N GLY 374.A O no hydrogen 2.930 N/A CYS 379.A N VAL 376.A O no hydrogen 3.106 N/A CYS 379.A SG PHE 375.A O no hydrogen 3.201 N/A VAL 380.A N VAL 376.A O no hydrogen 2.947 N/A VAL 380.A N ASP 377.A O no hydrogen 3.071 N/A GLN 381.A N ASP 377.A O no hydrogen 3.107 N/A SER 385.A OG ILE 383.A O no hydrogen 3.088 N/A LYS 393.A NZ SER 167.A O no hydrogen 2.973 N/A ILE 394.A N ALA 390.A O no hydrogen 2.887 N/A GLU 395.A N LYS 391.A O no hydrogen 2.918 N/A HIS 396.A N PRO 392.A O no hydrogen 2.873 N/A HIS 396.A N LYS 393.A O no hydrogen 3.032 N/A THR 397.A N LYS 393.A O no hydrogen 2.922 N/A TYR 398.A N ILE 394.A O no hydrogen 3.259 N/A THR 399.A OG1 GLN 520.A O no hydrogen 2.840 N/A ASP 405.A N GLY 401.A O no hydrogen 2.807 N/A LEU 406.A N GLY 401.A O no hydrogen 2.715 N/A ALA 409.A N ASP 405.A O no hydrogen 3.020 N/A MET 410.A N LEU 406.A O no hydrogen 2.955 N/A SER 411.A N GLU 408.A O no hydrogen 3.239 N/A SER 411.A OG GLY 407.A O no hydrogen 3.108 N/A CYS 413.A SG GLY 444.A O no hydrogen 3.527 N/A CYS 421.A N ILE 510.A O no hydrogen 2.951 N/A THR 423.A OG1 HIS 422.A O no hydrogen 2.866 N/A THR 424.A N PHE 438.A O no hydrogen 3.254 N/A THR 424.A OG1 ALA 162.A O no hydrogen 3.055 N/A LYS 425.A N PHE 438.A O no hydrogen 3.041 N/A TYR 427.A N HIS 436.A O no hydrogen 2.907 N/A SER 428.A OG THR 429.A O no hydrogen 2.712 N/A SER 428.A OG GLY 432.A O no hydrogen 3.397 N/A THR 429.A N GLN 434.A O no hydrogen 2.820 N/A THR 429.A OG1 GLN 434.A O no hydrogen 2.580 N/A HIS 436.A N TYR 427.A O no hydrogen 2.874 N/A GLY 439.A N VAL 495.A O no hydrogen 2.966 N/A ARG 440.A NH1 ILE 166.A O no hydrogen 2.657 N/A VAL 441.A N ASN 493.A O no hydrogen 3.020 N/A SER 443.A OG GLU 408.A O no hydrogen 2.638 N/A SER 443.A OG SER 411.A O no hydrogen 2.728 N/A SER 443.A OG LEU 442.A O no hydrogen 2.798 N/A THR 445.A OG1 HIS 447.A NE2 no hydrogen 3.128 N/A THR 445.A OG1 VAL 489.A O no hydrogen 3.181 N/A HIS 447.A N GLN 450.A OE1 no hydrogen 2.571 N/A ALA 448.A N GLN 450.A OE1 no hydrogen 2.899 N/A GLN 450.A N GLN 450.A OE1 no hydrogen 2.905 N/A LYS 453.A N THR 511.A O no hydrogen 2.464 N/A LYS 453.A NZ GLU 464.A OE1 no hydrogen 2.475 N/A LEU 455.A N THR 509.A O no hydrogen 3.101 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 2.764 N/A GLU 464.A N ASP 463.A OD1 no hydrogen 2.617 N/A GLU 465.A N TYR 459.A O no hydrogen 2.520 N/A CYS 470.A N VAL 452.A O no hydrogen 3.184 N/A CYS 470.A SG GLN 468.A O no hydrogen 3.250 N/A CYS 470.A SG GLN 468.A OE1 no hydrogen 3.270 N/A CYS 470.A SG GLY 499.A O no hydrogen 4.028 N/A CYS 470.A SG VAL 500.A O no hydrogen 3.572 N/A TRP 476.A N LEU 496.A O no hydrogen 3.310 N/A SER 478.A OG PRO 130.A O no hydrogen 3.129 N/A SER 478.A OG VAL 479.A O no hydrogen 2.977 N/A TYR 482.A OH HIS 99.A NE2 no hydrogen 2.839 N/A GLY 492.A N VAL 441.A O no hydrogen 3.214 N/A VAL 495.A N GLY 439.A O no hydrogen 2.899 N/A ILE 497.A N ALA 437.A O no hydrogen 2.858 N/A LYS 506.A N GLU 457.A OE2 no hydrogen 3.154 N/A LYS 506.A NZ ASN 556.A O no hydrogen 2.963 N/A LYS 506.A NZ ASN 556.A OD1 no hydrogen 2.861 N/A LYS 506.A NZ PRO 560.A O no hydrogen 2.731 N/A LYS 506.A NZ LEU 562.A O no hydrogen 3.376 N/A THR 507.A OG1 THR 423.A O no hydrogen 2.951 N/A ALA 508.A N THR 423.A O no hydrogen 2.891 N/A ILE 510.A N CYS 421.A O no hydrogen 2.885 N/A THR 511.A N LYS 453.A O no hydrogen 3.053 N/A GLU 517.A N GLU 517.A OE1 no hydrogen 2.781 N/A GLN 520.A N TYR 398.A OH no hydrogen 2.501 N/A ARG 523.A N THR 397.A O no hydrogen 2.991 N/A LYS 526.A NZ GLU 648.A OE1 no hydrogen 3.529 N/A SER 531.A OG SER 561.A O no hydrogen 3.031 N/A ILE 535.A N ILE 574.A O no hydrogen 2.907 N/A VAL 537.A N HIS 572.A O no hydrogen 2.891 N/A GLU 538.A N LYS 599.A O no hydrogen 2.934 N/A VAL 540.A N ASP 597.A O no hydrogen 3.162 N/A SER 543.A N ASN 541.A OD1 no hydrogen 3.200 N/A LEU 549.A N LEU 545.A O no hydrogen 2.976 N/A ASP 550.A N PRO 546.A O no hydrogen 2.886 N/A GLY 551.A N LYS 547.A O no hydrogen 2.971 N/A LEU 552.A N MET 548.A O no hydrogen 2.829 N/A ARG 553.A N LEU 549.A O no hydrogen 2.874 N/A LYS 554.A N ASP 550.A O no hydrogen 3.000 N/A VAL 555.A N GLY 551.A O no hydrogen 2.901 N/A ASN 556.A N LEU 552.A O no hydrogen 2.919 N/A LYS 557.A N ARG 553.A O no hydrogen 2.897 N/A LYS 557.A NZ GLN 502.A OE1 no hydrogen 3.523 N/A SER 558.A N LYS 554.A O no hydrogen 2.993 N/A TYR 559.A N VAL 555.A O no hydrogen 2.912 N/A TYR 559.A OH ASP 588.A OD2 no hydrogen 2.281 N/A SER 561.A N ASP 158.A OD2 no hydrogen 2.429 N/A SER 561.A OG ASP 158.A OD2 no hydrogen 3.161 N/A SER 561.A OG TYR 581.A OH no hydrogen 2.766 N/A LEU 562.A N TYR 559.A O no hydrogen 3.400 N/A THR 563.A N LEU 575.A O no hydrogen 3.024 N/A THR 564.A OG1 VAL 573.A O no hydrogen 2.996 N/A LYS 565.A N VAL 573.A O no hydrogen 2.915 N/A SER 569.A OG LYS 886.A O no hydrogen 2.955 N/A GLY 570.A N GLU 567.A O no hydrogen 3.054 N/A GLU 571.A N GLU 571.A OE1 no hydrogen 2.760 N/A VAL 573.A N LYS 565.A O no hydrogen 2.942 N/A ILE 574.A N ILE 535.A O no hydrogen 2.922 N/A LEU 575.A N THR 563.A O no hydrogen 2.923 N/A GLY 576.A N ILE 533.A O no hydrogen 2.927 N/A LEU 582.A N GLY 578.A O no hydrogen 3.317 N/A ASP 583.A N GLU 579.A O no hydrogen 2.860 N/A CYS 584.A N LEU 580.A O no hydrogen 2.995 N/A CYS 584.A SG LEU 580.A O no hydrogen 3.470 N/A VAL 585.A N TYR 581.A O no hydrogen 2.947 N/A MET 586.A N LEU 582.A O no hydrogen 2.906 N/A HIS 587.A N ASP 583.A O no hydrogen 2.884 N/A ASP 588.A N CYS 584.A O no hydrogen 2.992 N/A LEU 589.A N VAL 585.A O no hydrogen 2.858 N/A ARG 590.A N MET 586.A O no hydrogen 2.907 N/A ARG 590.A NH2 ILE 598.A O no hydrogen 3.116 N/A LYS 591.A N HIS 587.A O no hydrogen 2.973 N/A MET 592.A N ASP 588.A O no hydrogen 3.161 N/A TYR 593.A N ASP 588.A O no hydrogen 3.052 N/A SER 594.A OG LYS 547.A O no hydrogen 2.963 N/A THR 606.A N VAL 532.A O no hydrogen 2.591 N/A THR 606.A OG1 VAL 532.A O no hydrogen 3.422 N/A CYS 608.A N MET 773.A O no hydrogen 2.940 N/A CYS 608.A SG LEU 728.A O no hydrogen 3.216 N/A GLU 609.A N LEU 728.A O no hydrogen 2.686 N/A THR 610.A N ARG 771.A O no hydrogen 2.928 N/A THR 610.A OG1 VAL 611.A O no hydrogen 3.281 N/A THR 610.A OG1 ARG 730.A O no hydrogen 3.147 N/A THR 610.A OG1 ASN 731.A O no hydrogen 3.296 N/A THR 614.A OG1 ALA 634.A O no hydrogen 3.410 N/A SER 615.A N THR 614.A OG1 no hydrogen 2.610 N/A SER 615.A OG LEU 617.A O no hydrogen 2.381 N/A LEU 617.A N SER 615.A OG no hydrogen 3.167 N/A CYS 619.A N MET 632.A O no hydrogen 3.187 N/A CYS 619.A SG PHE 620.A O no hydrogen 3.318 N/A CYS 619.A SG VAL 760.A O no hydrogen 3.342 N/A CYS 619.A SG SER 763.A OG no hydrogen 3.606 N/A THR 623.A OG1 GLN 752.A O no hydrogen 2.473 N/A LYS 626.A N THR 623.A O no hydrogen 2.769 N/A LYS 627.A NZ VAL 741.A O no hydrogen 2.793 N/A LYS 629.A NZ THR 631.A OG1 no hydrogen 3.035 N/A THR 631.A N ASP 738.A O no hydrogen 2.907 N/A THR 631.A OG1 CYS 619.A O no hydrogen 3.037 N/A ILE 633.A N LYS 735.A O no hydrogen 3.357 N/A GLU 635.A N LYS 733.A O no hydrogen 2.863 N/A GLY 640.A N GLU 638.A OE1 no hydrogen 2.781 N/A GLY 640.A N GLU 638.A OE2 no hydrogen 3.217 N/A LEU 641.A N GLU 638.A OE1 no hydrogen 3.300 N/A ALA 642.A N GLU 638.A O no hydrogen 3.078 N/A GLU 643.A N LYS 639.A O no hydrogen 2.948 N/A ASP 644.A N GLY 640.A O no hydrogen 2.902 N/A ILE 645.A N LEU 641.A O no hydrogen 2.907 N/A GLU 646.A N ALA 642.A O no hydrogen 2.912 N/A ASN 647.A N GLU 643.A O no hydrogen 2.683 N/A ASN 647.A N ASP 644.A O no hydrogen 3.111 N/A ASN 647.A ND2 GLU 643.A OE2 no hydrogen 3.284 N/A VAL 649.A N ASP 644.A O no hydrogen 2.829 N/A ILE 652.A N GLN 651.A OE1 no hydrogen 3.434 N/A LEU 659.A N ASN 655.A O no hydrogen 2.906 N/A GLY 660.A N ARG 656.A O no hydrogen 3.002 N/A GLU 661.A N LYS 657.A O no hydrogen 2.783 N/A PHE 662.A N LYS 658.A O no hydrogen 2.872 N/A PHE 663.A N LEU 659.A O no hydrogen 2.994 N/A GLN 664.A N GLY 660.A O no hydrogen 2.783 N/A GLN 664.A NE2 TRP 669.A O no hydrogen 2.411 N/A THR 665.A N GLU 661.A O no hydrogen 2.845 N/A THR 665.A OG1 GLU 661.A O no hydrogen 2.720 N/A THR 665.A OG1 GLU 661.A OE2 no hydrogen 3.443 N/A LYS 666.A N PHE 662.A O no hydrogen 2.946 N/A TYR 667.A N PHE 663.A O no hydrogen 2.939 N/A TRP 669.A N GLN 664.A O no hydrogen 3.194 N/A LEU 671.A N ASP 670.A OD1 no hydrogen 2.721 N/A ALA 674.A N LEU 671.A O no hydrogen 3.370 N/A SER 676.A N ALA 673.A O no hydrogen 3.329 N/A SER 676.A OG ALA 673.A O no hydrogen 2.417 N/A GLY 681.A N GLY 686.A O no hydrogen 3.126 N/A ALA 684.A N GLY 681.A O no hydrogen 3.005 N/A THR 685.A N PRO 682.A O no hydrogen 2.780 N/A THR 685.A OG1 ASP 683.A O no hydrogen 3.208 N/A THR 685.A OG1 ASP 683.A OD2 no hydrogen 3.410 N/A GLY 686.A N PRO 682.A O no hydrogen 2.545 N/A ASN 688.A N GLY 686.A O no hydrogen 2.626 N/A ASN 688.A ND2 VAL 732.A O no hydrogen 2.456 N/A SER 697.A OG ASP 693.A OD2 no hydrogen 3.540 N/A ALA 702.A N ASP 700.A OD2 no hydrogen 3.248 N/A SER 706.A OG GLY 705.A O no hydrogen 2.775 N/A GLN 713.A N ASP 709.A O no hydrogen 2.984 N/A GLY 714.A N SER 710.A O no hydrogen 2.877 N/A PHE 715.A N ILE 711.A O no hydrogen 2.791 N/A GLN 716.A N VAL 712.A O no hydrogen 2.938 N/A GLN 716.A NE2 GLY 681.A O no hydrogen 3.022 N/A TRP 717.A N GLN 713.A O no hydrogen 2.918 N/A GLY 718.A N PHE 715.A O no hydrogen 2.931 N/A ARG 720.A NE GLN 716.A O no hydrogen 3.362 N/A GLY 722.A N ASP 726.A OD1 no hydrogen 3.155 N/A LEU 724.A N GLU 609.A OE1 no hydrogen 3.444 N/A CYS 725.A N GLU 609.A OE2 no hydrogen 2.953 N/A CYS 725.A SG GLU 609.A OE2 no hydrogen 3.249 N/A LYS 733.A N GLU 635.A O no hydrogen 2.943 N/A LYS 733.A NZ GLU 635.A OE2 no hydrogen 2.377 N/A PHE 734.A N ILE 689.A O no hydrogen 3.216 N/A LYS 735.A N ILE 633.A O no hydrogen 3.252 N/A LYS 735.A NZ GLU 635.A OE2 no hydrogen 3.182 N/A LYS 735.A NZ THR 694.A OG1 no hydrogen 2.979 N/A LEU 737.A N THR 631.A O no hydrogen 3.242 N/A ASP 738.A N THR 631.A O no hydrogen 2.984 N/A ARG 748.A N GLU 744.A O no hydrogen 2.750 N/A THR 756.A OG1 GLU 622.A O no hydrogen 2.797 N/A ALA 757.A N ILE 753.A O no hydrogen 2.511 N/A ARG 758.A N ILE 754.A O no hydrogen 2.997 N/A ARG 759.A N PRO 755.A O no hydrogen 2.935 N/A ARG 759.A NE PHE 897.A O no hydrogen 2.522 N/A ARG 759.A NH1 GLU 622.A OE1 no hydrogen 3.168 N/A VAL 760.A N THR 756.A O no hydrogen 2.794 N/A VAL 761.A N ALA 757.A O no hydrogen 2.955 N/A TYR 762.A N ARG 758.A O no hydrogen 3.061 N/A SER 763.A N ARG 759.A O no hydrogen 2.854 N/A SER 763.A OG PHE 898.A O no hydrogen 2.397 N/A ALA 764.A N VAL 760.A O no hydrogen 2.936 N/A PHE 765.A N VAL 761.A O no hydrogen 2.964 N/A LEU 766.A N TYR 762.A O no hydrogen 2.935 N/A ALA 768.A N PHE 765.A O no hydrogen 3.170 N/A ARG 771.A N THR 610.A O no hydrogen 2.860 N/A ARG 771.A NE GLY 854.A O no hydrogen 2.654 N/A ARG 771.A NH2 VAL 852.A O no hydrogen 2.893 N/A ARG 771.A NH2 GLY 854.A O no hydrogen 2.902 N/A MET 773.A N CYS 608.A O no hydrogen 2.829 N/A TYR 777.A N ILE 820.A O no hydrogen 2.819 N/A PHE 778.A N VAL 845.A O no hydrogen 2.890 N/A VAL 779.A N ALA 818.A O no hydrogen 2.899 N/A GLU 780.A N LEU 843.A O no hydrogen 2.931 N/A VAL 781.A N ILE 816.A O no hydrogen 2.857 N/A GLN 782.A N PHE 841.A O no hydrogen 2.916 N/A ALA 783.A N TYR 814.A O no hydrogen 2.934 N/A THR 793.A N SER 789.A O no hydrogen 2.975 N/A THR 793.A OG1 ALA 790.A O no hydrogen 2.618 N/A VAL 794.A N ALA 790.A O no hydrogen 2.922 N/A LEU 795.A N VAL 791.A O no hydrogen 2.969 N/A ALA 796.A N TYR 792.A O no hydrogen 2.864 N/A ARG 797.A N THR 793.A O no hydrogen 2.962 N/A ARG 798.A NH1 GLY 827.A O no hydrogen 2.988 N/A HIS 801.A N PHE 819.A O no hydrogen 3.167 N/A THR 803.A N LYS 817.A O no hydrogen 2.786 N/A THR 803.A OG1 LYS 817.A O no hydrogen 2.518 N/A GLN 804.A N LYS 817.A O no hydrogen 3.007 N/A ASP 805.A N ASP 805.A OD1 no hydrogen 2.472 N/A ALA 806.A N THR 815.A O no hydrogen 2.879 N/A SER 811.A OG ALA 177.A O no hydrogen 2.412 N/A TYR 814.A N ALA 783.A O no hydrogen 2.847 N/A THR 815.A N ALA 806.A O no hydrogen 3.024 N/A THR 815.A OG1 ALA 806.A O no hydrogen 3.184 N/A ILE 816.A N VAL 781.A O no hydrogen 2.867 N/A LYS 817.A N GLN 804.A O no hydrogen 2.835 N/A ALA 818.A N VAL 779.A O no hydrogen 3.020 N/A PHE 819.A N HIS 801.A O no hydrogen 3.196 N/A ILE 820.A N TYR 777.A O no hydrogen 3.007 N/A ALA 822.A N PRO 775.A O no hydrogen 3.066 N/A ASP 824.A N PRO 821.A O no hydrogen 3.144 N/A SER 825.A OG ALA 822.A O no hydrogen 2.827 N/A GLY 827.A N GLU 579.A OE2 no hydrogen 2.430 N/A PHE 828.A N SER 825.A O no hydrogen 3.231 N/A GLU 829.A N GLU 829.A OE1 no hydrogen 2.725 N/A THR 830.A OG1 GLY 827.A O no hydrogen 3.091 N/A ASP 831.A N GLY 827.A O no hydrogen 3.317 N/A LEU 832.A N PHE 828.A O no hydrogen 2.888 N/A ARG 833.A N GLU 829.A O no hydrogen 2.809 N/A THR 834.A N THR 830.A O no hydrogen 2.855 N/A THR 834.A N ASP 831.A O no hydrogen 3.239 N/A THR 834.A OG1 THR 830.A O no hydrogen 2.673 N/A HIS 835.A N ASP 831.A O no hydrogen 3.020 N/A THR 836.A N LEU 832.A O no hydrogen 3.399 N/A THR 836.A OG1 LEU 832.A O no hydrogen 2.785 N/A GLN 837.A N THR 834.A O no hydrogen 3.118 N/A GLY 838.A N ARG 833.A O no hydrogen 2.648 N/A GLN 839.A N THR 836.A O no hydrogen 2.915 N/A ALA 840.A N THR 836.A OG1 no hydrogen 3.156 N/A PHE 841.A N GLN 782.A O no hydrogen 2.958 N/A LEU 843.A N GLU 780.A O no hydrogen 2.904 N/A VAL 845.A N PHE 778.A O no hydrogen 2.948 N/A HIS 847.A N TYR 776.A O no hydrogen 2.785 N/A GLN 850.A N GLU 774.A O no hydrogen 2.902 N/A LYS 859.A NZ LEU 857.A O no hydrogen 3.350 N/A ARG 876.A NH2 PRO 856.A O no hydrogen 2.558 N/A PHE 878.A N LEU 874.A O no hydrogen 2.880 N/A MET 879.A N ALA 875.A O no hydrogen 2.898 N/A ILE 880.A N ARG 876.A O no hydrogen 2.933 N/A LYS 881.A N GLU 877.A O no hydrogen 2.936 N/A THR 882.A N MET 879.A O no hydrogen 3.286 N/A THR 882.A OG1 MET 879.A O no hydrogen 3.131 N/A ARG 883.A N MET 879.A O no hydrogen 2.960 N/A ARG 883.A NH2 SER 889.A O no hydrogen 2.338 N/A ARG 884.A N ILE 880.A O no hydrogen 2.633 N/A ARG 885.A N THR 882.A O no hydrogen 3.273 N/A LYS 886.A NZ GLU 727.A OE2 no hydrogen 3.329 N/A LEU 888.A N ARG 883.A O no hydrogen 3.192 N/A SER 893.A OG ASP 891.A OD1 no hydrogen 3.435 N/A SER 895.A N SER 893.A O no hydrogen 2.862 N/A ASP 900.A N ASP 899.A OD1 no hydrogen 2.639 N/A