Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6eor_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LYS 579.A O no hydrogen 2.898 N/A GLY 13.A N SER 10.A OG no hydrogen 3.246 N/A LEU 14.A N SER 10.A O no hydrogen 2.857 N/A ARG 15.A N TRP 11.A O no hydrogen 2.961 N/A ARG 15.A NH2 ASP 12.A OD1 no hydrogen 3.351 N/A SER 16.A N ASP 12.A O no hydrogen 3.149 N/A SER 16.A OG GLY 13.A O no hydrogen 3.028 N/A ILE 17.A N GLY 13.A O no hydrogen 3.095 N/A ILE 18.A N LEU 14.A O no hydrogen 3.076 N/A HIS 19.A N ARG 15.A O no hydrogen 2.970 N/A GLY 20.A N SER 16.A O no hydrogen 2.721 N/A SER 21.A N ILE 17.A O no hydrogen 3.190 N/A SER 21.A OG ILE 17.A O no hydrogen 3.549 N/A SER 21.A OG ILE 18.A O no hydrogen 2.656 N/A ARG 22.A N ILE 18.A O no hydrogen 3.365 N/A ARG 22.A NH1 GLU 795.A OE1 no hydrogen 3.139 N/A HIS 26.A N LEU 44.A O no hydrogen 2.916 N/A HIS 26.A ND1 ALA 24.A O no hydrogen 2.935 N/A GLN 29.A N TYR 42.A O no hydrogen 2.936 N/A VAL 31.A N ARG 40.A O no hydrogen 3.090 N/A LYS 33.A N SER 38.A O no hydrogen 3.012 N/A LYS 33.A NZ GLU 57.A OE2 no hydrogen 3.545 N/A SER 38.A N ILE 58.A O no hydrogen 2.867 N/A SER 38.A OG ILE 58.A O no hydrogen 3.524 N/A ARG 40.A N VAL 31.A O no hydrogen 2.735 N/A ARG 40.A NE GLU 57.A OE2 no hydrogen 2.885 N/A ARG 40.A NH1 ASP 124.A OD2 no hydrogen 2.794 N/A ARG 40.A NH1 MET 131.A O no hydrogen 3.488 N/A ARG 40.A NH2 GLU 57.A OE1 no hydrogen 3.136 N/A ARG 40.A NH2 GLU 57.A OE2 no hydrogen 3.347 N/A ARG 40.A NH2 MET 131.A O no hydrogen 2.834 N/A LEU 41.A N SER 56.A O no hydrogen 3.265 N/A TYR 42.A N GLN 29.A O no hydrogen 3.121 N/A TYR 42.A OH ASP 124.A OD2 no hydrogen 2.672 N/A TYR 43.A N LEU 54.A O no hydrogen 2.933 N/A TYR 43.A OH SER 56.A OG no hydrogen 2.902 N/A LEU 44.A N HIS 26.A O no hydrogen 2.759 N/A GLY 45.A N SER 52.A O no hydrogen 3.196 N/A ASN 51.A N PHE 97.A O no hydrogen 3.016 N/A SER 52.A N GLY 45.A O no hydrogen 3.130 N/A LEU 54.A N TYR 43.A O no hydrogen 2.780 N/A TYR 55.A N LYS 66.A O no hydrogen 2.930 N/A SER 56.A N LEU 41.A O no hydrogen 2.936 N/A SER 56.A OG TYR 43.A OH no hydrogen 2.902 N/A SER 56.A OG SER 64.A O no hydrogen 2.864 N/A ILE 58.A N HIS 39.A O no hydrogen 3.349 N/A LYS 60.A NZ GLY 35.A O no hydrogen 3.465 N/A LEU 63.A N SER 542.A O no hydrogen 2.973 N/A TRP 65.A NE1 MET 543.A O no hydrogen 2.974 N/A LYS 66.A N TYR 55.A O no hydrogen 2.685 N/A MET 68.A N LEU 53.A O no hydrogen 3.333 N/A ASP 70.A N MET 135.A O no hydrogen 2.873 N/A HIS 71.A ND1 ASP 70.A OD1 no hydrogen 2.960 N/A ALA 74.A N GLU 50.A OE2 no hydrogen 3.473 N/A THR 75.A N GLU 50.A OE1 no hydrogen 3.280 N/A VAL 80.A N HIS 77.A O no hydrogen 3.022 N/A ARG 83.A NE GLU 86.A OE1 no hydrogen 3.093 N/A ARG 83.A NH1 ASP 255.A OD2 no hydrogen 3.500 N/A GLU 85.A N SER 82.A OG no hydrogen 3.312 N/A GLU 86.A N SER 82.A O no hydrogen 3.129 N/A LEU 88.A N GLU 84.A O no hydrogen 2.853 N/A ARG 89.A N GLU 85.A O no hydrogen 2.774 N/A GLU 90.A N GLU 86.A O no hydrogen 2.966 N/A ARG 91.A N LEU 87.A O no hydrogen 3.050 N/A ARG 91.A NH1 GLU 752.A OE2 no hydrogen 2.951 N/A ARG 91.A NH2 GLU 752.A OE2 no hydrogen 3.056 N/A LYS 92.A N LEU 88.A O no hydrogen 3.473 N/A ARG 93.A N GLU 90.A O no hydrogen 3.209 N/A ARG 93.A NH1 ARG 91.A O no hydrogen 2.990 N/A LEU 94.A N ARG 89.A O no hydrogen 2.737 N/A GLY 98.A N TYR 81.A OH no hydrogen 3.164 N/A ILE 99.A N ASN 51.A O no hydrogen 3.343 N/A TYR 102.A OH ASP 27.A O no hydrogen 2.725 N/A ASP 103.A N LEU 112.A O no hydrogen 2.735 N/A HIS 105.A N LEU 110.A O no hydrogen 3.051 N/A HIS 105.A ND1 SER 108.A OG no hydrogen 2.973 N/A HIS 105.A NE2 PRO 155.A O no hydrogen 3.190 N/A SER 108.A OG HIS 105.A ND1 no hydrogen 2.973 N/A SER 108.A OG HIS 105.A O no hydrogen 3.527 N/A GLY 109.A N HIS 105.A O no hydrogen 2.845 N/A PHE 111.A N CYS 122.A O no hydrogen 3.166 N/A LEU 112.A N ASP 103.A O no hydrogen 2.850 N/A PHE 113.A N PHE 120.A O no hydrogen 3.123 N/A ALA 115.A N SER 118.A O no hydrogen 3.240 N/A SER 116.A N ALA 74.A O no hydrogen 2.899 N/A SER 116.A OG ALA 115.A O no hydrogen 2.671 N/A SER 118.A OG GLU 139.A OE1 no hydrogen 2.840 N/A PHE 120.A N PHE 113.A O no hydrogen 2.811 N/A HIS 121.A N LEU 138.A O no hydrogen 3.028 N/A CYS 122.A N PHE 111.A O no hydrogen 3.304 N/A ASP 124.A N GLY 109.A O no hydrogen 2.903 N/A MET 131.A N ASP 124.A OD1 no hydrogen 2.748 N/A MET 135.A N MET 68.A O no hydrogen 2.877 N/A LEU 138.A N HIS 121.A O no hydrogen 2.865 N/A THR 142.A OG1 GLU 179.A OE1 no hydrogen 3.148 N/A THR 142.A OG1 GLU 179.A OE2 no hydrogen 2.618 N/A GLN 143.A N GLU 179.A OE1 no hydrogen 3.335 N/A CYS 144.A N THR 142.A OG1 no hydrogen 2.929 N/A CYS 144.A SG THR 142.A OG1 no hydrogen 3.322 N/A CYS 144.A SG ASN 165.A OD1 no hydrogen 3.307 N/A CYS 144.A SG GLU 179.A OE1 no hydrogen 3.874 N/A ARG 148.A NH1 ILE 140.A O no hydrogen 3.525 N/A ARG 148.A NH2 ILE 140.A O no hydrogen 2.694 N/A MET 149.A N ILE 164.A O no hydrogen 2.852 N/A LYS 152.A N SER 162.A O no hydrogen 3.175 N/A LYS 152.A NZ THR 211.A OG1 no hydrogen 2.736 N/A LYS 152.A NZ TYR 213.A O no hydrogen 2.658 N/A ILE 153.A N ASP 103.A OD2 no hydrogen 2.744 N/A CYS 154.A N PHE 160.A O no hydrogen 2.834 N/A ASP 157.A N CYS 154.A O no hydrogen 3.337 N/A ALA 159.A N ASP 157.A OD1 no hydrogen 3.218 N/A PHE 160.A N ASP 157.A O no hydrogen 3.143 N/A PHE 161.A N ALA 172.A O no hydrogen 3.135 N/A SER 162.A N LYS 152.A O no hydrogen 2.956 N/A SER 162.A OG LYS 152.A O no hydrogen 3.148 N/A SER 162.A OG TYR 213.A OH no hydrogen 2.705 N/A PHE 163.A N TRP 170.A O no hydrogen 3.227 N/A ILE 164.A N MET 149.A O no hydrogen 2.792 N/A ASN 165.A N ASP 168.A O no hydrogen 3.155 N/A ASN 165.A ND2 PRO 147.A O no hydrogen 3.488 N/A ASP 168.A N ASN 165.A O no hydrogen 3.345 N/A LEU 169.A N THR 183.A OG1 no hydrogen 2.756 N/A TRP 170.A N PHE 163.A O no hydrogen 2.781 N/A VAL 171.A N ARG 180.A O no hydrogen 2.934 N/A ALA 172.A N PHE 161.A O no hydrogen 2.918 N/A ASN 173.A N GLU 178.A O no hydrogen 2.815 N/A ILE 174.A N ALA 159.A O no hydrogen 2.966 N/A THR 176.A N ASN 173.A OD1 no hydrogen 3.008 N/A GLY 177.A N ASN 173.A O no hydrogen 2.828 N/A ARG 180.A N VAL 171.A O no hydrogen 2.785 N/A ARG 181.A NE THR 183.A O no hydrogen 2.852 N/A ARG 181.A NH2 ASP 168.A OD2 no hydrogen 2.980 N/A ARG 181.A NH2 HIS 186.A O no hydrogen 2.768 N/A LEU 182.A N LEU 169.A O no hydrogen 2.990 N/A THR 183.A OG1 ASP 168.A OD1 no hydrogen 2.988 N/A CYS 185.A N ASP 168.A OD1 no hydrogen 2.868 N/A CYS 185.A SG GLU 233.A OE1 no hydrogen 3.411 N/A HIS 186.A N ASP 168.A OD2 no hydrogen 3.252 N/A HIS 186.A ND1 LYS 194.A O no hydrogen 2.837 N/A GLN 187.A N ASP 192.A OD2 no hydrogen 2.510 N/A ASP 192.A N ASN 188.A O no hydrogen 3.117 N/A SER 195.A N VAL 234.A O no hydrogen 2.938 N/A SER 195.A OG VAL 234.A O no hydrogen 3.436 N/A ALA 196.A N SER 167.A O no hydrogen 2.898 N/A GLY 197.A N GLU 232.A O no hydrogen 3.080 N/A ILE 203.A N THR 200.A O no hydrogen 3.108 N/A GLN 204.A N THR 200.A O no hydrogen 3.194 N/A GLU 205.A N PHE 201.A O no hydrogen 2.894 N/A GLU 206.A N VAL 202.A O no hydrogen 2.804 N/A PHE 207.A N ILE 203.A O no hydrogen 3.164 N/A ARG 209.A N ILE 203.A O no hydrogen 3.336 N/A ARG 209.A NE THR 211.A O no hydrogen 2.870 N/A ARG 209.A NH1 GLU 232.A OE1 no hydrogen 3.428 N/A ARG 209.A NH1 ILE 306.A O no hydrogen 2.369 N/A ARG 209.A NH2 GLU 232.A OE2 no hydrogen 2.716 N/A THR 211.A OG1 ASP 150.A OD2 no hydrogen 2.630 N/A THR 211.A OG1 TYR 213.A O no hydrogen 3.400 N/A TYR 213.A OH ASP 150.A O no hydrogen 2.595 N/A TYR 213.A OH SER 162.A OG no hydrogen 2.705 N/A TRP 214.A N LEU 230.A O no hydrogen 2.738 N/A TRP 215.A NE1 LYS 152.A O no hydrogen 3.112 N/A CYS 216.A N ARG 228.A O no hydrogen 2.966 N/A CYS 216.A SG THR 218.A O no hydrogen 3.815 N/A THR 218.A OG1 ASP 314.A O no hydrogen 2.998 N/A SER 220.A OG GLU 222.A OE2 no hydrogen 2.665 N/A LYS 225.A N THR 278.A O no hydrogen 2.909 N/A THR 226.A N SER 220.A O no hydrogen 2.847 N/A LEU 227.A N PHE 276.A O no hydrogen 2.927 N/A ARG 228.A NH1 GLU 275.A OE2 no hydrogen 2.734 N/A ILE 229.A N ALA 274.A O no hydrogen 2.822 N/A LEU 230.A N TRP 214.A O no hydrogen 2.822 N/A TYR 231.A N LYS 272.A O no hydrogen 3.005 N/A GLU 232.A N GLY 212.A O no hydrogen 2.980 N/A GLU 233.A N ALA 270.A O no hydrogen 2.662 N/A VAL 234.A N SER 195.A O no hydrogen 2.757 N/A ASP 235.A N LYS 268.A O no hydrogen 3.005 N/A GLU 236.A N PRO 193.A O no hydrogen 3.359 N/A SER 237.A OG ASP 235.A OD1 no hydrogen 2.742 N/A VAL 239.A N GLU 236.A O no hydrogen 3.399 N/A ILE 242.A N TYR 257.A O no hydrogen 2.955 N/A VAL 244.A N ASP 255.A O no hydrogen 3.067 N/A SER 246.A N LYS 253.A O no hydrogen 2.867 N/A ALA 248.A N SER 246.A OG no hydrogen 3.088 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.896 N/A ARG 252.A N LEU 249.A O no hydrogen 2.952 N/A ASP 255.A N VAL 244.A O no hydrogen 2.899 N/A SER 256.A OG HIS 243.A NE2 no hydrogen 3.280 N/A TYR 257.A N ILE 242.A O no hydrogen 3.002 N/A ARG 258.A NH1 VAL 239.A O no hydrogen 2.744 N/A TYR 259.A N GLU 240.A O no hydrogen 3.137 N/A THR 262.A N TYR 705.A O no hydrogen 3.016 N/A THR 262.A OG1 TYR 724.A OH no hydrogen 2.696 N/A GLY 263.A N GLU 711.A OE2 no hydrogen 2.615 N/A SER 264.A OG ARG 261.A O no hydrogen 2.611 N/A ASN 266.A ND2 TYR 305.A OH no hydrogen 2.991 N/A LYS 268.A N ASP 235.A O no hydrogen 3.020 N/A ALA 270.A N GLU 233.A O no hydrogen 3.106 N/A LYS 272.A N TYR 231.A O no hydrogen 2.841 N/A LYS 272.A NZ GLU 233.A OE1 no hydrogen 2.702 N/A LEU 273.A N LYS 290.A O no hydrogen 2.944 N/A ALA 274.A N ILE 229.A O no hydrogen 2.882 N/A GLU 275.A N GLN 288.A O no hydrogen 3.015 N/A PHE 276.A N LEU 227.A O no hydrogen 3.092 N/A GLN 277.A N SER 286.A O no hydrogen 3.030 N/A GLN 277.A NE2 SER 286.A OG no hydrogen 3.399 N/A THR 278.A N LYS 225.A O no hydrogen 2.745 N/A THR 278.A OG1 LYS 225.A O no hydrogen 3.354 N/A ASP 279.A N LYS 283.A O no hydrogen 3.387 N/A GLY 282.A N ASP 279.A O no hydrogen 3.228 N/A GLY 282.A N ASP 279.A OD1 no hydrogen 3.028 N/A LYS 283.A N ASP 279.A OD1 no hydrogen 3.137 N/A ILE 284.A N GLU 178.A OE1 no hydrogen 3.347 N/A VAL 285.A N GLN 277.A O no hydrogen 2.894 N/A GLN 288.A N GLU 275.A O no hydrogen 3.035 N/A LYS 290.A N LEU 273.A O no hydrogen 2.865 N/A LYS 290.A NZ GLU 275.A OE1 no hydrogen 3.385 N/A LYS 290.A NZ GLU 275.A OE2 no hydrogen 3.178 N/A GLU 291.A N ILE 341.A O no hydrogen 2.953 N/A VAL 293.A N LEU 339.A O no hydrogen 3.166 N/A GLN 294.A NE2 TRP 416.A O no hydrogen 3.029 N/A SER 298.A N PRO 295.A O no hydrogen 3.096 N/A SER 298.A OG PRO 295.A O no hydrogen 3.458 N/A LEU 299.A N PRO 295.A O no hydrogen 3.117 N/A PHE 300.A N PHE 296.A O no hydrogen 3.169 N/A GLU 304.A N LEU 323.A O no hydrogen 2.757 N/A TYR 305.A N LEU 323.A O no hydrogen 3.262 N/A ALA 307.A N MET 321.A O no hydrogen 2.876 N/A ARG 308.A NH1 PHE 207.A O no hydrogen 2.492 N/A GLY 310.A N TRP 319.A O no hydrogen 3.246 N/A TRP 311.A NE1 TRP 214.A O no hydrogen 3.303 N/A THR 312.A N TYR 317.A O no hydrogen 2.875 N/A THR 312.A OG1 ASP 314.A OD1 no hydrogen 2.619 N/A THR 312.A OG1 TYR 317.A O no hydrogen 3.172 N/A ARG 313.A NH1 GLU 456.A OE1 no hydrogen 2.669 N/A ARG 313.A NH2 GLU 456.A OE1 no hydrogen 3.035 N/A GLY 315.A N THR 312.A O no hydrogen 3.108 N/A LYS 316.A N ASP 314.A OD1 no hydrogen 3.138 N/A TYR 317.A N THR 312.A OG1 no hydrogen 3.157 N/A ALA 318.A N LEU 335.A O no hydrogen 3.216 N/A TRP 319.A N GLY 310.A O no hydrogen 2.693 N/A TRP 319.A NE1 TRP 311.A O no hydrogen 3.134 N/A ALA 320.A N VAL 333.A O no hydrogen 3.216 N/A MET 321.A N ARG 308.A O no hydrogen 2.814 N/A PHE 322.A N GLN 331.A O no hydrogen 2.847 N/A LEU 323.A N TYR 305.A O no hydrogen 2.896 N/A ASP 324.A N TRP 329.A O no hydrogen 3.311 N/A ARG 325.A NH2 SER 264.A O no hydrogen 2.591 N/A ARG 325.A NH2 GLU 711.A OE2 no hydrogen 3.063 N/A GLN 327.A N ASP 324.A O no hydrogen 2.978 N/A GLN 327.A NE2 GLY 708.A O no hydrogen 2.883 N/A GLN 328.A N ASP 324.A OD1 no hydrogen 2.855 N/A GLN 328.A NE2 ASN 372.A O no hydrogen 3.012 N/A GLN 328.A NE2 VAL 373.A O no hydrogen 3.395 N/A TRP 329.A N ASP 324.A OD1 no hydrogen 3.191 N/A TRP 329.A NE1 GLN 331.A OE1 no hydrogen 2.808 N/A LEU 330.A N GLU 369.A O no hydrogen 2.978 N/A GLN 331.A N PHE 322.A O no hydrogen 3.007 N/A LEU 332.A N TYR 367.A O no hydrogen 2.751 N/A VAL 333.A N ALA 320.A O no hydrogen 3.172 N/A LEU 334.A N TYR 364.A O no hydrogen 2.990 N/A LEU 335.A N ALA 318.A O no hydrogen 2.859 N/A LEU 339.A N PRO 336.A O no hydrogen 2.997 N/A PHE 340.A N PRO 337.A O no hydrogen 2.888 N/A ILE 341.A N GLU 291.A O no hydrogen 2.837 N/A SER 343.A N GLU 289.A O no hydrogen 3.267 N/A THR 344.A OG1 PRO 342.A O no hydrogen 2.989 N/A ASN 346.A ND2 GLN 349.A OE1 no hydrogen 2.776 N/A ARG 350.A N ASN 346.A O no hydrogen 3.214 N/A ALA 352.A N GLN 349.A O no hydrogen 3.134 N/A SER 353.A N GLN 349.A O no hydrogen 3.466 N/A SER 353.A OG GLN 349.A O no hydrogen 3.435 N/A ARG 355.A N LEU 351.A O no hydrogen 2.815 N/A ALA 356.A N ALA 352.A O no hydrogen 3.116 N/A VAL 357.A N ALA 354.A O no hydrogen 2.942 N/A TYR 364.A N LEU 334.A O no hydrogen 3.360 N/A VAL 365.A N PHE 427.A O no hydrogen 2.943 N/A TYR 367.A OH GLU 434.A OE2 no hydrogen 2.712 N/A GLU 369.A N LEU 330.A O no hydrogen 3.013 N/A THR 371.A N GLN 328.A O no hydrogen 3.252 N/A VAL 373.A N THR 371.A OG1 no hydrogen 3.036 N/A TRP 374.A NE1 GLU 633.A OE2 no hydrogen 3.120 N/A ILE 375.A N GLN 327.A O no hydrogen 2.815 N/A ASN 376.A ND2 GLU 394.A OE1 no hydrogen 2.715 N/A ASN 376.A ND2 GLU 633.A OE1 no hydrogen 3.374 N/A ASP 379.A N ALA 446.A O no hydrogen 2.705 N/A TYR 382.A N LEU 390.A O no hydrogen 2.883 N/A PHE 384.A N CYS 388.A O no hydrogen 2.840 N/A LEU 387.A N ALA 407.A O no hydrogen 3.033 N/A PHE 389.A N VAL 405.A O no hydrogen 2.928 N/A LEU 390.A N TYR 382.A O no hydrogen 2.844 N/A ARG 391.A N TYR 403.A O no hydrogen 3.065 N/A ARG 391.A NH1 HIS 378.A O no hydrogen 2.932 N/A ARG 391.A NH1 ILE 380.A O no hydrogen 2.868 N/A ALA 392.A N ILE 380.A O no hydrogen 3.448 N/A ASN 393.A N HIS 401.A O no hydrogen 2.908 N/A LYS 396.A N ASN 393.A OD1 no hydrogen 2.975 N/A LYS 396.A NZ GLU 434.A OE2 no hydrogen 3.210 N/A THR 397.A OG1 PHE 399.A O no hydrogen 3.209 N/A GLY 398.A N GLU 394.A O no hydrogen 2.822 N/A PHE 399.A N THR 397.A OG1 no hydrogen 2.802 N/A CYS 400.A SG VAL 444.A O no hydrogen 3.243 N/A HIS 401.A N ASN 393.A O no hydrogen 3.121 N/A HIS 401.A ND1 THR 438.A OG1 no hydrogen 2.973 N/A HIS 401.A NE2 GLY 440.A O no hydrogen 3.103 N/A LEU 402.A N THR 438.A OG1 no hydrogen 2.956 N/A TYR 403.A N ARG 391.A O no hydrogen 2.858 N/A LYS 404.A N ILE 435.A O no hydrogen 2.922 N/A VAL 405.A N PHE 389.A O no hydrogen 2.979 N/A THR 406.A N GLU 433.A O no hydrogen 3.048 N/A ALA 407.A N LEU 387.A O no hydrogen 2.908 N/A VAL 408.A N PRO 430.A O no hydrogen 2.766 N/A TYR 414.A N ARG 359.A O no hydrogen 3.209 N/A TYR 414.A OH GLU 426.A OE2 no hydrogen 3.197 N/A TRP 416.A NE1 VAL 361.A O no hydrogen 2.734 N/A GLY 423.A N GLU 426.A OE1 no hydrogen 3.224 N/A CYS 429.A N VAL 365.A O no hydrogen 2.695 N/A CYS 429.A SG VAL 365.A O no hydrogen 3.127 N/A LYS 432.A N THR 406.A O no hydrogen 2.775 N/A ILE 435.A N LYS 404.A O no hydrogen 2.843 N/A LEU 437.A N LEU 402.A O no hydrogen 2.985 N/A THR 438.A N LEU 402.A O no hydrogen 3.346 N/A THR 438.A OG1 HIS 401.A ND1 no hydrogen 2.973 N/A GLU 443.A N THR 466.A OG1 no hydrogen 2.901 N/A VAL 444.A N CYS 400.A O no hydrogen 2.697 N/A LEU 445.A N GLN 464.A O no hydrogen 2.985 N/A SER 450.A N ARG 447.A O no hydrogen 2.998 N/A TRP 453.A N TYR 462.A O no hydrogen 3.039 N/A ASN 455.A N LEU 460.A O no hydrogen 2.941 N/A THR 458.A OG1 ASN 455.A O no hydrogen 3.387 N/A LEU 460.A N ASN 455.A O no hydrogen 3.317 N/A LEU 460.A N THR 458.A OG1 no hydrogen 3.339 N/A VAL 461.A N VAL 478.A O no hydrogen 2.651 N/A TYR 462.A N TRP 453.A O no hydrogen 2.816 N/A PHE 463.A N TYR 476.A O no hydrogen 2.802 N/A GLN 464.A NE2 HIS 496.A O no hydrogen 2.884 N/A GLY 465.A N HIS 474.A O no hydrogen 2.868 N/A THR 466.A N GLU 443.A O no hydrogen 3.088 N/A THR 466.A OG1 GLU 443.A O no hydrogen 3.134 N/A ASP 468.A N TYR 476.A OH no hydrogen 3.170 N/A LEU 471.A N THR 469.A OG1 no hydrogen 3.318 N/A GLU 472.A N THR 469.A O no hydrogen 3.203 N/A HIS 473.A N SER 495.A OG no hydrogen 3.004 N/A HIS 474.A N GLY 465.A O no hydrogen 2.951 N/A HIS 474.A ND1 THR 490.A OG1 no hydrogen 2.683 N/A HIS 474.A NE2 GLU 472.A OE1 no hydrogen 3.113 N/A LEU 475.A N THR 490.A OG1 no hydrogen 2.943 N/A TYR 476.A N PHE 463.A O no hydrogen 2.672 N/A TYR 476.A OH ASP 468.A OD1 no hydrogen 2.776 N/A VAL 477.A N VAL 487.A O no hydrogen 2.890 N/A VAL 478.A N VAL 461.A O no hydrogen 3.119 N/A SER 479.A OG LYS 459.A O no hydrogen 3.253 N/A SER 479.A OG ALA 482.A O no hydrogen 3.378 N/A TYR 480.A N LYS 459.A O no hydrogen 2.838 N/A GLU 481.A N SER 479.A OG no hydrogen 3.029 N/A ALA 482.A N SER 479.A OG no hydrogen 2.971 N/A VAL 487.A N VAL 477.A O no hydrogen 2.985 N/A ARG 488.A NE ASP 468.A OD1 no hydrogen 3.175 N/A ARG 488.A NH1 THR 490.A O no hydrogen 3.368 N/A LEU 489.A N LEU 475.A O no hydrogen 2.825 N/A THR 490.A OG1 HIS 474.A ND1 no hydrogen 2.683 N/A SER 495.A N SER 512.A O no hydrogen 3.094 N/A HIS 496.A N HIS 473.A O no hydrogen 2.904 N/A HIS 496.A ND1 HIS 473.A O no hydrogen 3.260 N/A SER 497.A N HIS 510.A O no hydrogen 2.781 N/A CYS 498.A N GLN 464.A OE1 no hydrogen 2.697 N/A CYS 498.A SG SER 509.A OG no hydrogen 3.350 N/A SER 499.A N VAL 508.A O no hydrogen 3.146 N/A SER 501.A N MET 506.A O no hydrogen 3.405 N/A SER 501.A OG ASP 505.A OD1 no hydrogen 3.172 N/A ASN 503.A N SER 501.A OG no hydrogen 3.131 N/A PHE 504.A N SER 501.A O no hydrogen 3.129 N/A MET 506.A N ASP 505.A OD1 no hydrogen 2.836 N/A PHE 507.A N TYR 523.A O no hydrogen 2.781 N/A VAL 508.A N SER 499.A O no hydrogen 2.988 N/A SER 509.A N HIS 521.A O no hydrogen 2.824 N/A HIS 510.A N SER 497.A O no hydrogen 2.874 N/A TYR 511.A N CYS 519.A O no hydrogen 2.734 N/A TYR 511.A OH HIS 521.A ND1 no hydrogen 3.057 N/A SER 512.A N SER 495.A O no hydrogen 3.287 N/A SER 513.A N THR 516.A O no hydrogen 3.227 N/A SER 513.A OG THR 516.A OG1 no hydrogen 2.750 N/A VAL 514.A N ASN 597.A OD1 no hydrogen 3.120 N/A THR 516.A N SER 513.A OG no hydrogen 3.108 N/A THR 516.A OG1 SER 513.A OG no hydrogen 2.750 N/A THR 516.A OG1 PRO 517.A O no hydrogen 3.530 N/A CYS 519.A N TYR 511.A O no hydrogen 2.741 N/A CYS 519.A SG GLU 545.A OE1 no hydrogen 3.637 N/A VAL 520.A N MET 544.A O no hydrogen 3.345 N/A HIS 521.A N SER 509.A O no hydrogen 3.029 N/A HIS 521.A NE2 GLU 545.A OE2 no hydrogen 2.812 N/A VAL 522.A N ALA 541.A O no hydrogen 2.891 N/A TYR 523.A N PHE 507.A O no hydrogen 2.787 N/A LYS 524.A N ARG 538.A O no hydrogen 2.692 N/A LEU 525.A N ASP 505.A O no hydrogen 2.681 N/A SER 526.A N GLN 536.A O no hydrogen 2.996 N/A HIS 534.A N ASP 531.A O no hydrogen 3.202 N/A LYS 535.A NZ ASP 529.A OD2 no hydrogen 3.307 N/A ARG 538.A N LYS 524.A O no hydrogen 2.701 N/A TRP 540.A N VAL 522.A O no hydrogen 3.015 N/A TRP 540.A NE1 PRO 59.A O no hydrogen 3.261 N/A ALA 541.A N VAL 522.A O no hydrogen 3.091 N/A SER 542.A N LEU 61.A O no hydrogen 3.396 N/A SER 542.A OG MET 544.A O no hydrogen 3.442 N/A SER 542.A OG GLU 545.A OE2 no hydrogen 3.244 N/A MET 543.A N VAL 520.A O no hydrogen 2.729 N/A MET 544.A N VAL 520.A O no hydrogen 3.258 N/A GLU 552.A N ILE 568.A O no hydrogen 2.856 N/A PHE 554.A N GLY 566.A O no hydrogen 3.185 N/A PHE 556.A N LEU 564.A O no hydrogen 3.009 N/A THR 558.A OG1 SER 560.A OG no hydrogen 2.615 N/A ARG 559.A N GLU 650.A OE2 no hydrogen 3.077 N/A SER 560.A OG THR 558.A OG1 no hydrogen 2.615 N/A ASP 561.A N THR 558.A O no hydrogen 3.093 N/A ARG 563.A NH1 TYR 565.A OH no hydrogen 3.210 N/A LEU 564.A N PHE 556.A O no hydrogen 2.922 N/A GLY 566.A N PHE 554.A O no hydrogen 2.936 N/A MET 567.A N VAL 619.A O no hydrogen 2.749 N/A ILE 568.A N GLU 552.A O no hydrogen 3.144 N/A TYR 569.A N VAL 617.A O no hydrogen 2.770 N/A LYS 570.A NZ PRO 571.A O no hydrogen 3.518 N/A HIS 572.A N ALA 611.A O no hydrogen 3.261 N/A LYS 578.A N GLN 575.A O no hydrogen 3.260 N/A LYS 579.A N ALA 2.A O no hydrogen 3.288 N/A LYS 579.A NZ GLY 660.A O no hydrogen 2.652 N/A HIS 580.A N PHE 661.A O no hydrogen 2.616 N/A HIS 580.A ND1 GLY 614.A O no hydrogen 2.705 N/A THR 582.A N ARG 666.A O no hydrogen 2.805 N/A THR 582.A OG1 HIS 580.A O no hydrogen 3.426 N/A VAL 583.A N ALA 616.A O no hydrogen 2.674 N/A LEU 584.A N ALA 668.A O no hydrogen 2.778 N/A PHE 585.A N VAL 618.A O no hydrogen 2.714 N/A VAL 586.A N HIS 670.A O no hydrogen 2.857 N/A GLN 591.A NE2 TYR 713.A OH no hydrogen 2.769 N/A GLN 593.A NE2 PRO 470.A O no hydrogen 3.595 N/A LEU 594.A N ASP 621.A OD1 no hydrogen 3.178 N/A VAL 595.A N ASP 621.A OD2 no hydrogen 2.814 N/A ASN 597.A N LEU 471.A O no hydrogen 2.721 N/A ASN 597.A ND2 GLU 472.A OE2 no hydrogen 2.924 N/A ASN 597.A ND2 GLY 493.A O no hydrogen 2.976 N/A SER 598.A N ASN 596.A O no hydrogen 3.081 N/A SER 598.A OG ASN 596.A OD1 no hydrogen 2.573 N/A LYS 600.A NZ LEU 594.A O no hydrogen 3.522 N/A LYS 600.A NZ ASN 596.A OD1 no hydrogen 2.755 N/A LYS 600.A NZ SER 598.A OG no hydrogen 2.943 N/A TYR 604.A N LYS 600.A O no hydrogen 3.027 N/A THR 609.A N LEU 605.A O no hydrogen 2.961 N/A THR 609.A OG1 LEU 605.A O no hydrogen 3.256 N/A LEU 610.A N ARG 606.A O no hydrogen 2.838 N/A ALA 611.A N LEU 607.A O no hydrogen 3.147 N/A SER 612.A N ASN 608.A O no hydrogen 2.788 N/A SER 612.A OG THR 609.A O no hydrogen 2.693 N/A LEU 613.A N THR 609.A O no hydrogen 3.187 N/A LEU 613.A N LEU 610.A O no hydrogen 3.241 N/A GLY 614.A N ALA 611.A O no hydrogen 3.145 N/A TYR 615.A N LEU 610.A O no hydrogen 3.179 N/A ALA 616.A N PRO 581.A O no hydrogen 2.975 N/A VAL 617.A N TYR 569.A O no hydrogen 3.304 N/A VAL 618.A N VAL 583.A O no hydrogen 3.046 N/A VAL 619.A N MET 567.A O no hydrogen 2.936 N/A ASP 621.A N TYR 565.A O no hydrogen 3.180 N/A GLY 624.A N PHE 632.A O no hydrogen 2.990 N/A SER 625.A N GLY 622.A O no hydrogen 3.104 N/A SER 625.A OG CYS 626.A O no hydrogen 3.499 N/A CYS 626.A N VAL 592.A O no hydrogen 2.843 N/A ARG 628.A NH1 ARG 563.A O no hydrogen 2.926 N/A ARG 628.A NH2 ARG 563.A O no hydrogen 3.132 N/A LEU 630.A N GLY 398.A O no hydrogen 2.962 N/A GLU 633.A N GLY 629.A O no hydrogen 3.432 N/A GLY 634.A N LEU 630.A O no hydrogen 2.702 N/A LEU 636.A N GLU 633.A O no hydrogen 3.376 N/A LYS 637.A N GLY 634.A O no hydrogen 2.880 N/A LYS 637.A NZ VAL 373.A O no hydrogen 3.326 N/A ASN 638.A N TYR 713.A O no hydrogen 2.696 N/A GLN 639.A N LEU 636.A O no hydrogen 2.768 N/A GLY 641.A N GLU 644.A OE2 no hydrogen 2.816 N/A GLN 642.A N GLU 644.A OE1 no hydrogen 2.698 N/A GLU 644.A N GLU 644.A OE1 no hydrogen 2.626 N/A GLN 648.A N GLU 644.A O no hydrogen 3.214 N/A GLN 648.A N ILE 645.A O no hydrogen 3.075 N/A VAL 649.A N ILE 645.A O no hydrogen 2.873 N/A GLU 650.A N GLU 646.A O no hydrogen 3.076 N/A GLY 651.A N ASP 647.A O no hydrogen 3.145 N/A LEU 652.A N GLN 648.A O no hydrogen 3.265 N/A LEU 652.A N VAL 649.A O no hydrogen 3.130 N/A GLN 653.A N VAL 649.A O no hydrogen 2.981 N/A PHE 654.A N GLU 650.A O no hydrogen 3.075 N/A VAL 655.A N GLY 651.A O no hydrogen 3.188 N/A ALA 656.A N LEU 652.A O no hydrogen 2.985 N/A GLU 657.A N GLN 653.A O no hydrogen 3.167 N/A LYS 658.A N PHE 654.A O no hydrogen 2.902 N/A TYR 659.A N VAL 655.A O no hydrogen 3.115 N/A ASP 663.A N HIS 580.A O no hydrogen 2.954 N/A SER 665.A N ASP 663.A OD1 no hydrogen 3.177 N/A SER 665.A OG ASP 663.A OD1 no hydrogen 2.859 N/A SER 665.A OG ASP 663.A OD2 no hydrogen 3.157 N/A ARG 666.A N ASP 663.A O no hydrogen 3.162 N/A ARG 666.A NE ASP 663.A OD2 no hydrogen 2.866 N/A ARG 666.A NH1 PHE 4.A O no hydrogen 2.779 N/A ARG 666.A NH2 PHE 4.A O no hydrogen 2.824 N/A ARG 666.A NH2 ASP 663.A OD2 no hydrogen 3.375 N/A ALA 668.A N THR 582.A O no hydrogen 2.804 N/A ILE 669.A N VAL 692.A O no hydrogen 3.335 N/A HIS 670.A N LEU 584.A O no hydrogen 3.011 N/A HIS 670.A ND1 ILE 694.A O no hydrogen 2.718 N/A HIS 670.A NE2 TYR 794.A OH no hydrogen 2.682 N/A SER 673.A N GLY 696.A O no hydrogen 2.694 N/A SER 673.A OG HIS 783.A NE2 no hydrogen 2.684 N/A TYR 674.A OH GLU 644.A OE2 no hydrogen 2.631 N/A PHE 677.A N SER 673.A O no hydrogen 3.265 N/A LEU 678.A N TYR 674.A O no hydrogen 2.872 N/A SER 679.A N GLY 675.A O no hydrogen 2.715 N/A SER 679.A OG GLY 675.A O no hydrogen 3.094 N/A LEU 680.A N GLY 676.A O no hydrogen 3.025 N/A MET 681.A N PHE 677.A O no hydrogen 2.881 N/A GLY 682.A N LEU 678.A O no hydrogen 2.618 N/A LEU 683.A N SER 679.A O no hydrogen 3.227 N/A ILE 684.A N LEU 680.A O no hydrogen 3.254 N/A HIS 685.A N MET 681.A O no hydrogen 3.206 N/A LYS 686.A N GLY 682.A O no hydrogen 2.722 N/A VAL 689.A N LYS 686.A O no hydrogen 3.034 N/A PHE 690.A N LYS 686.A O no hydrogen 2.995 N/A LYS 691.A N VAL 667.A O no hydrogen 3.055 N/A LYS 691.A NZ GLN 688.A O no hydrogen 3.501 N/A ALA 693.A N ARG 742.A O no hydrogen 2.958 N/A ILE 694.A N ILE 669.A O no hydrogen 3.234 N/A ALA 695.A N LEU 744.A O no hydrogen 3.003 N/A GLY 696.A N GLY 671.A O no hydrogen 3.224 N/A ALA 697.A N LEU 746.A O no hydrogen 3.026 N/A THR 700.A OG1 HIS 758.A O no hydrogen 2.746 N/A TRP 702.A N SER 728.A OG no hydrogen 3.044 N/A ALA 704.A N VAL 701.A O no hydrogen 3.181 N/A TYR 705.A N TRP 702.A O no hydrogen 2.993 N/A TYR 705.A OH ASN 753.A OD1 no hydrogen 2.717 N/A THR 707.A N PRO 260.A O no hydrogen 3.326 N/A THR 707.A OG1 ASN 266.A OD1 no hydrogen 2.872 N/A TYR 709.A N ASP 706.A OD1 no hydrogen 3.276 N/A THR 710.A OG1 ASP 706.A O no hydrogen 2.643 N/A GLU 711.A N THR 707.A O no hydrogen 2.999 N/A ARG 712.A NE GLN 327.A OE1 no hydrogen 2.773 N/A ARG 712.A NH1 GLU 206.A O no hydrogen 3.387 N/A ARG 712.A NH2 GLU 206.A O no hydrogen 2.693 N/A ARG 712.A NH2 GLN 327.A OE1 no hydrogen 3.519 N/A TYR 713.A N THR 710.A O no hydrogen 3.180 N/A MET 714.A N THR 710.A O no hydrogen 2.643 N/A ASP 715.A N GLU 711.A O no hydrogen 3.298 N/A VAL 716.A N ASP 715.A OD1 no hydrogen 2.760 N/A GLU 718.A N GLU 718.A OE1 no hydrogen 2.821 N/A ASN 719.A N VAL 716.A O no hydrogen 3.118 N/A ASN 719.A ND2 ASP 715.A OD1 no hydrogen 3.087 N/A ASN 720.A N VAL 716.A O no hydrogen 3.273 N/A ASN 720.A N PRO 717.A O no hydrogen 3.058 N/A ASN 720.A ND2 MET 714.A O no hydrogen 3.026 N/A TYR 724.A N ASN 720.A O no hydrogen 3.239 N/A TYR 724.A OH THR 262.A OG1 no hydrogen 2.696 N/A TYR 724.A OH ASP 715.A O no hydrogen 2.592 N/A GLU 725.A N GLN 721.A O no hydrogen 3.226 N/A ALA 726.A N HIS 722.A O no hydrogen 2.759 N/A GLY 727.A N GLY 723.A O no hydrogen 2.935 N/A SER 728.A OG TYR 724.A O no hydrogen 2.752 N/A ALA 730.A N THR 700.A O no hydrogen 3.297 N/A LEU 731.A N SER 728.A O no hydrogen 3.077 N/A HIS 732.A N VAL 729.A O no hydrogen 3.111 N/A HIS 732.A NE2 GLU 725.A O no hydrogen 2.557 N/A LYS 735.A N HIS 732.A O no hydrogen 3.091 N/A LEU 736.A N VAL 733.A O no hydrogen 2.774 N/A GLU 739.A N GLU 739.A OE1 no hydrogen 2.869 N/A ARG 742.A NE LYS 691.A O no hydrogen 2.622 N/A ARG 742.A NH1 GLU 739.A OE1 no hydrogen 3.462 N/A ARG 742.A NH2 PRO 687.A O no hydrogen 3.131 N/A ARG 742.A NH2 PHE 690.A O no hydrogen 2.808 N/A ARG 742.A NH2 LYS 691.A O no hydrogen 3.330 N/A LEU 744.A N ALA 693.A O no hydrogen 2.826 N/A ILE 745.A N GLN 774.A O no hydrogen 2.756 N/A LEU 746.A N ALA 695.A O no hydrogen 2.891 N/A HIS 747.A N GLN 776.A O no hydrogen 3.131 N/A HIS 747.A ND1 GLY 748.A O no hydrogen 3.109 N/A PHE 749.A N TYR 778.A O no hydrogen 2.778 N/A LEU 750.A N GLU 781.A O no hydrogen 3.140 N/A ASP 751.A N GLY 748.A O no hydrogen 3.301 N/A GLU 752.A N GLU 752.A OE1 no hydrogen 2.882 N/A ASN 753.A N ASP 751.A OD1 no hydrogen 3.095 N/A VAL 754.A N ASP 751.A OD1 no hydrogen 3.004 N/A HIS 758.A N HIS 755.A O no hydrogen 3.066 N/A HIS 758.A ND1 HIS 755.A O no hydrogen 3.022 N/A ASN 760.A N PHE 756.A O no hydrogen 2.862 N/A PHE 761.A N PHE 757.A O no hydrogen 2.480 N/A LEU 762.A N HIS 758.A O no hydrogen 2.818 N/A VAL 763.A N THR 759.A O no hydrogen 2.752 N/A SER 764.A N ASN 760.A O no hydrogen 3.173 N/A GLN 765.A N PHE 761.A O no hydrogen 3.042 N/A LEU 766.A N LEU 762.A O no hydrogen 2.781 N/A ILE 767.A N VAL 763.A O no hydrogen 2.858 N/A ARG 768.A N SER 764.A O no hydrogen 3.119 N/A ARG 768.A NH2 SER 764.A O no hydrogen 3.538 N/A ALA 769.A N GLN 765.A O no hydrogen 2.929 N/A GLY 770.A N ILE 767.A O no hydrogen 3.246 N/A LYS 771.A N LEU 766.A O no hydrogen 2.735 N/A LYS 771.A NZ GLU 734.A O no hydrogen 3.258 N/A LYS 771.A NZ LEU 736.A O no hydrogen 2.556 N/A LYS 771.A NZ ASN 738.A OD1 no hydrogen 2.422 N/A GLN 774.A N LEU 743.A O no hydrogen 3.186 N/A GLN 776.A N ILE 745.A O no hydrogen 2.875 N/A TYR 778.A N HIS 747.A O no hydrogen 3.028 N/A ARG 782.A NH1 LEU 750.A O no hydrogen 3.444 N/A HIS 783.A ND1 ASP 751.A OD2 no hydrogen 2.999 N/A HIS 783.A NE2 SER 673.A OG no hydrogen 2.684 N/A SER 784.A OG GLU 90.A OE2 no hydrogen 3.044 N/A ARG 786.A N GLU 781.A OE1 no hydrogen 2.895 N/A ARG 786.A NH1 SER 784.A OG no hydrogen 3.277 N/A ARG 786.A NH2 ARG 89.A O no hydrogen 3.544 N/A CYS 787.A N GLU 781.A OE2 no hydrogen 3.180 N/A CYS 787.A SG GLU 789.A OE1 no hydrogen 3.893 N/A SER 790.A OG GLU 781.A OE2 no hydrogen 3.000 N/A GLY 791.A N CYS 787.A O no hydrogen 3.103 N/A GLU 792.A N PRO 788.A O no hydrogen 2.801 N/A HIS 793.A N GLU 789.A O no hydrogen 3.196 N/A TYR 794.A N SER 790.A O no hydrogen 2.961 N/A TYR 794.A OH HIS 670.A NE2 no hydrogen 2.682 N/A GLU 795.A N GLY 791.A O no hydrogen 3.068 N/A VAL 796.A N GLU 792.A O no hydrogen 2.764 N/A THR 797.A N HIS 793.A O no hydrogen 2.869 N/A THR 797.A OG1 HIS 793.A ND1 no hydrogen 3.101 N/A THR 797.A OG1 HIS 793.A O no hydrogen 2.703 N/A LEU 798.A N TYR 794.A O no hydrogen 2.918 N/A LEU 799.A N GLU 795.A O no hydrogen 3.090 N/A HIS 800.A N VAL 796.A O no hydrogen 3.031 N/A PHE 801.A N THR 797.A O no hydrogen 2.867 N/A LEU 802.A N LEU 798.A O no hydrogen 3.130 N/A GLN 803.A N LEU 799.A O no hydrogen 3.058 N/A GLN 803.A NE2 HIS 9.A O no hydrogen 3.396 N/A GLU 804.A N HIS 800.A O no hydrogen 3.114 N/A TYR 805.A N PHE 801.A O no hydrogen 3.074 N/A LEU 806.A N LEU 802.A O no hydrogen 3.023 N/A