Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wkt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 51.A O no hydrogen 2.848 N/A SER 3.A OG ASP 56.A OD2 no hydrogen 2.915 N/A LYS 7.A N SER 3.A O no hydrogen 3.165 N/A MET 8.A N PHE 4.A O no hydrogen 2.911 N/A LYS 9.A N VAL 5.A O no hydrogen 3.390 N/A LYS 10.A N GLU 6.A O no hydrogen 2.859 N/A THR 11.A N LYS 7.A O no hydrogen 2.834 N/A THR 11.A OG1 LYS 7.A O no hydrogen 2.579 N/A THR 11.A OG1 MET 8.A O no hydrogen 3.526 N/A GLY 12.A N MET 8.A O no hydrogen 2.719 N/A ARG 13.A N MET 8.A O no hydrogen 2.832 N/A ARG 13.A NE THR 11.A OG1 no hydrogen 3.129 N/A ILE 16.A N LEU 67.A O no hydrogen 3.251 N/A VAL 17.A N MET 45.A O no hydrogen 2.977 N/A PHE 18.A N VAL 69.A O no hydrogen 2.951 N/A TYR 19.A N ALA 47.A O no hydrogen 3.462 N/A GLY 20.A N CYS 71.A O no hydrogen 2.806 N/A THR 23.A OG1 TYR 75.A OH no hydrogen 3.137 N/A GLU 28.A N GLY 24.A O no hydrogen 3.364 N/A PHE 29.A N THR 25.A O no hydrogen 3.061 N/A ALA 30.A N ALA 26.A O no hydrogen 2.911 N/A ASN 31.A N GLU 27.A O no hydrogen 2.919 N/A ARG 32.A N GLU 28.A O no hydrogen 3.350 N/A ARG 32.A NH1 GLU 28.A OE2 no hydrogen 3.493 N/A ARG 32.A NH2 GLU 148.A OE2 no hydrogen 3.348 N/A LEU 33.A N PHE 29.A O no hydrogen 3.097 N/A SER 34.A N ALA 30.A O no hydrogen 3.207 N/A SER 34.A OG ALA 30.A O no hydrogen 3.482 N/A SER 34.A OG ASN 31.A O no hydrogen 3.281 N/A ASP 36.A N ARG 32.A O no hydrogen 3.243 N/A ASP 36.A N LEU 33.A O no hydrogen 3.316 N/A HIS 38.A NE2 GLY 44.A O no hydrogen 2.782 N/A GLY 44.A N HIS 38.A NE2 no hydrogen 3.123 N/A MET 45.A N ILE 15.A O no hydrogen 3.170 N/A ALA 47.A N VAL 17.A O no hydrogen 2.816 N/A GLU 50.A N ASP 48.A OD1 no hydrogen 3.123 N/A GLU 51.A N ASP 48.A O no hydrogen 3.414 N/A TYR 52.A N PRO 49.A O no hydrogen 3.411 N/A ASP 56.A N ASP 53.A O no hydrogen 3.331 N/A SER 59.A N ASP 56.A O no hydrogen 3.229 N/A LEU 60.A N LEU 57.A O no hydrogen 3.175 N/A ILE 63.A N LEU 60.A O no hydrogen 2.762 N/A SER 66.A OG LEU 60.A O no hydrogen 3.481 N/A SER 66.A OG ILE 63.A O no hydrogen 3.086 N/A VAL 68.A N LYS 102.A O no hydrogen 3.127 N/A VAL 69.A N ILE 16.A O no hydrogen 2.906 N/A PHE 70.A N ALA 104.A O no hydrogen 2.949 N/A CYS 71.A N PHE 18.A O no hydrogen 2.854 N/A MET 72.A N PHE 106.A O no hydrogen 3.382 N/A ALA 73.A N GLY 20.A O no hydrogen 3.038 N/A THR 74.A N LEU 108.A O no hydrogen 3.179 N/A TYR 75.A N ASP 79.A O no hydrogen 2.914 N/A ASP 79.A N TYR 75.A O no hydrogen 2.873 N/A ASP 82.A N GLN 22.A OE1 no hydrogen 3.312 N/A ASN 83.A ND2 TYR 19.A O no hydrogen 2.756 N/A ASN 83.A ND2 ASP 48.A OD1 no hydrogen 3.321 N/A ALA 84.A N THR 81.A O no hydrogen 3.278 N/A GLN 85.A N ASP 82.A O no hydrogen 3.188 N/A GLN 85.A NE2 GLN 85.A O no hydrogen 3.291 N/A GLN 85.A NE2 ASP 89.A OD2 no hydrogen 2.822 N/A TYR 88.A N ALA 84.A O no hydrogen 3.286 N/A TYR 88.A N GLN 85.A O no hydrogen 3.185 N/A ASP 89.A N GLN 85.A O no hydrogen 3.474 N/A LEU 91.A N PHE 87.A O no hydrogen 2.904 N/A GLN 92.A N TYR 88.A O no hydrogen 2.918 N/A GLU 93.A N ASP 89.A O no hydrogen 3.240 N/A GLU 93.A N TRP 90.A O no hydrogen 3.079 N/A THR 94.A N LEU 91.A O no hydrogen 3.535 N/A LEU 98.A N LEU 130.A O no hydrogen 2.749 N/A THR 99.A OG1 ASP 97.A OD1 no hydrogen 3.100 N/A THR 99.A OG1 ASP 97.A OD2 no hydrogen 3.265 N/A VAL 101.A N LEU 98.A O no hydrogen 3.193 N/A PHE 103.A N GLN 133.A O no hydrogen 3.074 N/A ALA 104.A N VAL 68.A O no hydrogen 3.310 N/A PHE 106.A N PHE 70.A O no hydrogen 2.904 N/A GLY 107.A N GLY 139.A O no hydrogen 2.866 N/A LEU 108.A N MET 72.A O no hydrogen 3.301 N/A LYS 111.A N ASP 142.A OD1 no hydrogen 2.730 N/A THR 112.A N ASN 110.A OD1 no hydrogen 3.492 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 3.120 N/A TYR 113.A N ASN 110.A O no hydrogen 3.349 N/A ASN 117.A ND2 GLY 141.A O no hydrogen 2.943 N/A ALA 118.A N HIS 115.A O no hydrogen 3.151 N/A LYS 121.A N ASN 117.A O no hydrogen 2.869 N/A LYS 121.A NZ PHE 116.A O no hydrogen 3.436 N/A TYR 122.A N ALA 118.A O no hydrogen 3.039 N/A VAL 123.A N MET 119.A O no hydrogen 3.118 N/A ASP 124.A N GLY 120.A O no hydrogen 3.010 N/A GLN 125.A N LYS 121.A O no hydrogen 2.996 N/A ARG 126.A N TYR 122.A O no hydrogen 2.878 N/A ARG 126.A N VAL 123.A O no hydrogen 3.189 N/A ARG 126.A NH2 GLN 92.A O no hydrogen 3.459 N/A LEU 127.A N VAL 123.A O no hydrogen 3.337 N/A GLN 129.A N GLN 125.A O no hydrogen 3.249 N/A LEU 130.A N LEU 127.A O no hydrogen 2.981 N/A GLY 131.A N GLU 128.A O no hydrogen 3.088 N/A GLN 133.A N VAL 101.A O no hydrogen 2.832 N/A ARG 134.A NH1 ASP 124.A O no hydrogen 3.310 N/A ARG 134.A NH1 ASP 124.A OD2 no hydrogen 3.124 N/A ILE 135.A N PHE 103.A O no hydrogen 2.955 N/A GLY 139.A N VAL 105.A O no hydrogen 2.982 N/A GLY 141.A N GLY 107.A O no hydrogen 2.880 N/A ASP 143.A N GLY 109.A O no hydrogen 2.776 N/A ASP 144.A N ASP 142.A OD1 no hydrogen 3.426 N/A GLY 145.A N ASP 142.A OD2 no hydrogen 3.301 N/A GLU 149.A N ASN 146.A OD1 no hydrogen 3.116 N/A ASP 150.A N ASN 146.A O no hydrogen 3.088 N/A PHE 151.A N LEU 147.A O no hydrogen 2.906 N/A ILE 152.A N GLU 148.A O no hydrogen 2.887 N/A THR 153.A N GLU 149.A O no hydrogen 2.997 N/A THR 153.A OG1 GLU 149.A O no hydrogen 2.781 N/A TRP 154.A N ASP 150.A O no hydrogen 3.332 N/A TRP 154.A NE1 GLU 137.A O no hydrogen 2.750 N/A ARG 155.A N PHE 151.A O no hydrogen 2.894 N/A ARG 155.A NH1 ASP 36.A OD2 no hydrogen 3.146 N/A GLU 156.A N ILE 152.A O no hydrogen 2.909 N/A GLN 157.A N THR 153.A O no hydrogen 3.333 N/A GLN 157.A N TRP 154.A O no hydrogen 3.186 N/A GLN 157.A NE2 THR 153.A O no hydrogen 3.437 N/A PHE 158.A N TRP 154.A O no hydrogen 2.980 N/A PHE 158.A N ARG 155.A O no hydrogen 3.337 N/A VAL 162.A N PHE 158.A O no hydrogen 2.898 N/A CYS 163.A N TRP 159.A O no hydrogen 2.906 N/A CYS 163.A SG TYR 40.A O no hydrogen 3.377 N/A CYS 163.A SG TRP 159.A O no hydrogen 3.303 N/A GLU 164.A N PRO 160.A O no hydrogen 3.313 N/A PHE 165.A N ALA 161.A O no hydrogen 3.164 N/A PHE 166.A N VAL 162.A O no hydrogen 3.416 N/A GLY 167.A N CYS 163.A O no hydrogen 2.735 N/A SER 171.A OG GLU 169.A OE2 no hydrogen 3.274 N/A SER 172.A OG ALA 170.A O no hydrogen 2.609 N/A ARG 174.A NH1 ASP 373.A OD1 no hydrogen 3.298 N/A ARG 174.A NH2 TYR 176.A O no hydrogen 2.841 N/A ARG 174.A NH2 ASP 373.A OD1 no hydrogen 3.432 N/A GLN 175.A N GLU 377.A OE2 no hydrogen 2.799 N/A GLU 177.A N ASN 280.A O no hydrogen 2.827 N/A VAL 179.A N SER 278.A O no hydrogen 2.922 N/A VAL 189.A N VAL 186.A O no hydrogen 3.252 N/A TYR 190.A N PRO 295.A O no hydrogen 2.675 N/A THR 191.A N GLU 193.A OE2 no hydrogen 2.830 N/A THR 191.A OG1 GLU 193.A OE1 no hydrogen 3.266 N/A THR 191.A OG1 GLU 193.A OE2 no hydrogen 3.421 N/A SER 199.A OG ARG 196.A O no hydrogen 3.189 N/A ASN 202.A N LYS 198.A O no hydrogen 2.994 N/A GLN 203.A NE2 SER 199.A O no hydrogen 3.651 N/A GLN 203.A NE2 PRO 212.A O no hydrogen 2.883 N/A ASP 208.A N ASN 211.A O no hydrogen 2.992 N/A ASN 211.A ND2 SER 199.A O no hydrogen 3.451 N/A PHE 213.A N MET 435.A O no hydrogen 3.091 N/A LEU 214.A N GLN 203.A OE1 no hydrogen 2.923 N/A ALA 215.A N VAL 433.A O no hydrogen 2.689 N/A THR 218.A N GLU 235.A O no hydrogen 2.688 N/A ARG 221.A N HIS 233.A O no hydrogen 3.068 N/A LEU 223.A N LEU 231.A O no hydrogen 2.832 N/A ASN 224.A N LEU 231.A O no hydrogen 3.185 N/A GLN 225.A N GLU 495.A O no hydrogen 2.780 N/A GLN 225.A NE2 TYR 497.A O no hydrogen 3.686 N/A GLY 226.A N GLU 495.A O no hydrogen 2.731 N/A GLU 228.A N GLU 495.A OE2 no hydrogen 3.272 N/A MET 232.A N ALA 404.A O no hydrogen 3.007 N/A HIS 233.A N ARG 221.A O no hydrogen 2.927 N/A LEU 234.A N ILE 402.A O no hydrogen 3.235 N/A GLU 235.A N ALA 219.A O no hydrogen 3.008 N/A LEU 236.A N VAL 400.A O no hydrogen 2.778 N/A ASP 237.A N ALA 216.A O no hydrogen 3.160 N/A ILE 238.A N ASN 398.A O no hydrogen 2.936 N/A SER 239.A OG ASP 237.A OD1 no hydrogen 3.009 N/A SER 239.A OG ASP 237.A OD2 no hydrogen 2.795 N/A SER 241.A N ILE 238.A O no hydrogen 3.352 N/A SER 241.A OG ILE 238.A O no hydrogen 2.657 N/A ILE 243.A N SER 241.A OG no hydrogen 3.293 N/A TYR 245.A OH SER 391.A OG no hydrogen 2.854 N/A TYR 245.A OH HIS 396.A O no hydrogen 2.885 N/A TYR 245.A OH SER 399.A O no hydrogen 2.803 N/A GLU 246.A N ASP 249.A OD2 no hydrogen 2.787 N/A SER 247.A OG GLU 470.A OE1 no hydrogen 3.159 N/A ASP 249.A N GLU 246.A O no hydrogen 2.948 N/A HIS 250.A N ARG 438.A O no hydrogen 3.415 N/A VAL 251.A N TYR 387.A O no hydrogen 2.806 N/A ALA 252.A N PHE 436.A O no hydrogen 2.819 N/A TYR 254.A N PRO 434.A O no hydrogen 2.790 N/A TYR 254.A OH ALA 209.A O no hydrogen 2.662 N/A ASN 257.A N THR 303.A O no hydrogen 2.888 N/A ASN 257.A ND2 LEU 302.A O no hydrogen 2.639 N/A ASN 257.A ND2 THR 303.A O no hydrogen 3.352 N/A ASN 257.A ND2 LEU 306.A O no hydrogen 3.087 N/A ALA 260.A N ASP 258.A OD2 no hydrogen 3.378 N/A LEU 261.A N ASP 258.A O no hydrogen 2.630 N/A VAL 262.A N ASP 258.A O no hydrogen 3.273 N/A ASN 263.A N SER 259.A O no hydrogen 2.928 N/A GLN 264.A N ALA 260.A O no hydrogen 3.311 N/A GLY 266.A N VAL 262.A O no hydrogen 3.224 N/A GLU 267.A N ASN 263.A O no hydrogen 2.915 N/A ILE 268.A N GLN 264.A O no hydrogen 2.896 N/A LEU 269.A N ILE 265.A O no hydrogen 2.686 N/A GLY 270.A N GLY 266.A O no hydrogen 2.681 N/A ALA 271.A N GLY 266.A O no hydrogen 3.260 N/A ASP 274.A N ASP 272.A OD1 no hydrogen 2.978 N/A MET 277.A N THR 296.A O no hydrogen 3.347 N/A SER 278.A OG MET 277.A O no hydrogen 3.245 N/A ASN 280.A N GLU 177.A O no hydrogen 2.725 N/A ASN 281.A N LYS 289.A O no hydrogen 2.724 N/A ASN 281.A ND2 GLN 175.A O no hydrogen 2.938 N/A SER 286.A OG ASP 283.A O no hydrogen 3.405 N/A SER 286.A OG ASP 283.A OD2 no hydrogen 3.098 N/A LYS 289.A NZ ASN 281.A O no hydrogen 3.418 N/A LYS 289.A NZ GLU 284.A O no hydrogen 3.492 N/A LYS 289.A NZ GLU 284.A OE1 no hydrogen 2.510 N/A HIS 290.A NE2 ASN 280.A OD1 no hydrogen 2.781 N/A CYS 294.A SG PHE 292.A O no hydrogen 3.588 N/A THR 296.A N MET 277.A O no hydrogen 2.912 N/A THR 296.A OG1 TYR 190.A O no hydrogen 2.368 N/A ARG 299.A N LEU 273.A O no hydrogen 2.866 N/A ARG 299.A NE ASP 274.A OD1 no hydrogen 3.055 N/A ARG 299.A NE ASP 274.A OD2 no hydrogen 3.207 N/A ARG 299.A NH1 ASN 263.A OD1 no hydrogen 2.834 N/A ARG 299.A NH2 ASP 274.A OD2 no hydrogen 3.178 N/A THR 300.A N THR 297.A OG1 no hydrogen 2.793 N/A THR 300.A OG1 THR 297.A OG1 no hydrogen 2.792 N/A ALA 301.A N THR 297.A O no hydrogen 3.092 N/A LEU 302.A N TYR 298.A O no hydrogen 2.956 N/A THR 303.A N ARG 299.A O no hydrogen 3.108 N/A THR 303.A OG1 ARG 299.A O no hydrogen 2.856 N/A TYR 304.A N THR 300.A O no hydrogen 3.004 N/A TYR 305.A N ALA 301.A O no hydrogen 2.754 N/A TYR 305.A OH GLU 193.A O no hydrogen 2.512 N/A LEU 306.A N ALA 301.A O no hydrogen 3.020 N/A ASP 307.A N PRO 380.A O no hydrogen 2.710 N/A ASN 310.A N ASP 307.A OD1 no hydrogen 3.048 N/A THR 314.A N GLN 157.A OE1 no hydrogen 3.317 N/A THR 314.A OG1 MET 336.A O no hydrogen 3.505 N/A TYR 318.A N THR 314.A O no hydrogen 3.188 N/A GLU 319.A N ASN 315.A O no hydrogen 2.927 N/A LEU 320.A N VAL 316.A O no hydrogen 2.918 N/A ALA 321.A N TYR 318.A O no hydrogen 3.316 N/A GLN 322.A NE2 GLU 319.A O no hydrogen 3.296 N/A TYR 323.A N LEU 320.A O no hydrogen 2.937 N/A TYR 323.A OH HIS 374.A ND1 no hydrogen 2.576 N/A ALA 324.A N ALA 321.A O no hydrogen 3.449 N/A GLU 326.A N SER 367.A OG no hydrogen 3.115 N/A GLN 330.A N GLU 326.A O no hydrogen 2.837 N/A GLU 331.A N PRO 327.A O no hydrogen 2.916 N/A HIS 332.A N SER 328.A O no hydrogen 3.186 N/A LEU 333.A N GLU 329.A O no hydrogen 3.417 N/A HIS 334.A N GLN 330.A O no hydrogen 2.914 N/A LYS 335.A N GLU 331.A O no hydrogen 2.920 N/A MET 336.A N HIS 332.A O no hydrogen 3.081 N/A SER 338.A N LYS 335.A O no hydrogen 2.878 N/A SER 339.A OG ILE 135.A O no hydrogen 2.271 N/A LYS 344.A N GLY 341.A O no hydrogen 3.207 N/A GLU 345.A N GLY 341.A O no hydrogen 3.293 N/A LEU 346.A N GLU 342.A O no hydrogen 2.910 N/A TYR 347.A N GLY 343.A O no hydrogen 3.311 N/A TYR 347.A OH PRO 312.A O no hydrogen 2.639 N/A LEU 348.A N LYS 344.A O no hydrogen 3.357 N/A SER 349.A N GLU 345.A O no hydrogen 3.403 N/A SER 349.A OG GLU 345.A O no hydrogen 2.617 N/A TRP 350.A N LEU 346.A O no hydrogen 2.907 N/A VAL 351.A N TYR 347.A O no hydrogen 3.026 N/A VAL 352.A N TYR 347.A O no hydrogen 3.365 N/A GLU 353.A N LEU 348.A O no hydrogen 2.855 N/A ALA 354.A N SER 349.A O no hydrogen 3.293 N/A ARG 355.A N VAL 352.A O no hydrogen 3.368 N/A ARG 356.A N VAL 351.A O no hydrogen 3.138 N/A ARG 356.A NE ASP 364.A OD2 no hydrogen 3.043 N/A ARG 356.A NH1 TRP 350.A O no hydrogen 2.989 N/A ARG 356.A NH2 ASP 364.A OD2 no hydrogen 3.431 N/A ALA 360.A N HIS 357.A ND1 no hydrogen 3.147 N/A ILE 361.A N HIS 357.A O no hydrogen 3.115 N/A LEU 362.A N ILE 358.A O no hydrogen 3.099 N/A GLN 363.A N LEU 359.A O no hydrogen 2.913 N/A ASP 364.A N ALA 360.A O no hydrogen 2.791 N/A TYR 365.A N ILE 361.A O no hydrogen 2.670 N/A TYR 365.A N LEU 362.A O no hydrogen 3.296 N/A SER 367.A N GLU 329.A OE1 no hydrogen 2.799 N/A LEU 368.A N TYR 365.A O no hydrogen 3.185 N/A ARG 369.A NE LEU 368.A O no hydrogen 2.596 N/A ARG 369.A NH2 LEU 368.A O no hydrogen 3.370 N/A HIS 374.A ND1 TYR 323.A OH no hydrogen 2.576 N/A LEU 375.A N PRO 371.A O no hydrogen 2.980 N/A CYS 376.A N ILE 372.A O no hydrogen 2.912 N/A CYS 376.A SG ILE 372.A O no hydrogen 3.229 N/A GLU 377.A N HIS 374.A O no hydrogen 3.289 N/A LEU 378.A N HIS 374.A O no hydrogen 3.296 N/A LEU 379.A N LEU 375.A O no hydrogen 3.159 N/A ARG 381.A NH1 TYR 305.A O no hydrogen 2.723 N/A LEU 382.A N TYR 305.A O no hydrogen 2.728 N/A ARG 385.A N VAL 253.A O no hydrogen 3.020 N/A ARG 385.A NE GLN 383.A O no hydrogen 2.798 N/A TYR 387.A N VAL 251.A O no hydrogen 2.607 N/A SER 388.A OG ASP 599.A OD2 no hydrogen 2.899 N/A ILE 389.A N ASP 249.A O no hydrogen 2.723 N/A ALA 390.A N HIS 401.A O no hydrogen 2.910 N/A SER 391.A OG TYR 245.A OH no hydrogen 2.854 N/A SER 392.A N GLN 469.A OE1 no hydrogen 3.103 N/A SER 392.A OG GLU 470.A OE1 no hydrogen 2.491 N/A SER 393.A OG TYR 245.A O no hydrogen 2.688 N/A SER 393.A OG GLU 246.A OE2 no hydrogen 3.125 N/A LYS 394.A N SER 392.A OG no hydrogen 3.117 N/A LYS 394.A NZ GLU 246.A OE2 no hydrogen 3.457 N/A LYS 394.A NZ GLU 470.A OE2 no hydrogen 3.568 N/A VAL 395.A N SER 392.A O no hydrogen 3.051 N/A HIS 396.A N SER 392.A O no hydrogen 2.818 N/A SER 399.A N HIS 396.A O no hydrogen 3.284 N/A SER 399.A OG HIS 401.A NE2 no hydrogen 3.232 N/A VAL 400.A N LEU 236.A O no hydrogen 2.835 N/A HIS 401.A N SER 391.A OG no hydrogen 3.400 N/A ILE 402.A N LEU 234.A O no hydrogen 3.089 N/A ALA 404.A N MET 232.A O no hydrogen 3.378 N/A ALA 406.A N HIS 230.A O no hydrogen 2.774 N/A VAL 407.A N THR 422.A OG1 no hydrogen 3.054 N/A ALA 411.A N ARG 415.A O no hydrogen 3.415 N/A SER 413.A OG ALA 354.A O no hydrogen 3.259 N/A GLY 414.A N ALA 411.A O no hydrogen 3.428 N/A ARG 415.A NE SER 413.A O no hydrogen 3.303 N/A ARG 415.A NH1 GLN 363.A OE1 no hydrogen 2.900 N/A ARG 415.A NH2 SER 413.A O no hydrogen 3.021 N/A ASN 417.A N TYR 409.A O no hydrogen 3.153 N/A GLY 419.A N VAL 407.A O no hydrogen 3.145 N/A SER 423.A N GLY 419.A O no hydrogen 3.028 N/A SER 423.A OG GLY 419.A O no hydrogen 2.722 N/A TRP 424.A N VAL 420.A O no hydrogen 2.919 N/A LEU 425.A N ALA 421.A O no hydrogen 2.496 N/A ARG 426.A N THR 422.A O no hydrogen 2.867 N/A ARG 426.A NH1 GLU 408.A OE1 no hydrogen 3.162 N/A ALA 427.A N SER 423.A O no hydrogen 3.048 N/A LYS 428.A N LEU 425.A O no hydrogen 2.996 N/A VAL 433.A N ALA 215.A O no hydrogen 2.756 N/A MET 435.A N PHE 213.A O no hydrogen 2.741 N/A PHE 436.A N ALA 252.A O no hydrogen 2.890 N/A ARG 438.A N HIS 250.A O no hydrogen 3.206 N/A LYS 439.A NZ ARG 244.A O no hydrogen 3.347 N/A LYS 439.A NZ ASP 249.A OD2 no hydrogen 2.828 N/A SER 440.A N ASP 249.A OD1 no hydrogen 3.090 N/A SER 440.A OG GLY 248.A O no hydrogen 3.052 N/A SER 440.A OG ASP 249.A OD1 no hydrogen 3.456 N/A ARG 443.A NH1 ASP 249.A OD1 no hydrogen 3.082 N/A SER 448.A OG GLU 480.A O no hydrogen 3.256 N/A THR 450.A N LYS 447.A O no hydrogen 2.864 N/A THR 450.A OG1 LYS 447.A O no hydrogen 3.102 N/A VAL 452.A N GLU 483.A O no hydrogen 2.890 N/A ILE 453.A N HIS 550.A O no hydrogen 2.743 N/A MET 454.A N LEU 485.A O no hydrogen 2.892 N/A VAL 455.A N TYR 552.A O no hydrogen 2.702 N/A GLY 456.A N TYR 487.A O no hydrogen 3.276 N/A GLY 458.A N GLY 489.A O no hydrogen 3.135 N/A ILE 461.A N GLY 458.A O no hydrogen 3.102 N/A ALA 462.A N THR 459.A O no hydrogen 2.908 N/A MET 465.A N ILE 461.A O no hydrogen 2.982 N/A MET 465.A N ALA 462.A O no hydrogen 2.864 N/A PHE 467.A N PRO 463.A O no hydrogen 3.220 N/A ILE 468.A N PHE 464.A O no hydrogen 2.908 N/A GLN 469.A N MET 465.A O no hydrogen 2.905 N/A GLN 469.A NE2 ALA 390.A O no hydrogen 3.412 N/A GLU 470.A N GLY 466.A O no hydrogen 2.903 N/A ARG 471.A N PHE 467.A O no hydrogen 2.909 N/A ARG 471.A NH1 THR 450.A O no hydrogen 3.080 N/A ARG 471.A NH1 THR 484.A OG1 no hydrogen 3.121 N/A ARG 471.A NH2 THR 450.A O no hydrogen 2.716 N/A ALA 472.A N ILE 468.A O no hydrogen 2.915 N/A TRP 473.A N GLN 469.A O no hydrogen 2.910 N/A LEU 474.A N GLU 470.A O no hydrogen 2.972 N/A ARG 475.A N ARG 471.A O no hydrogen 3.391 N/A GLU 476.A N ALA 472.A O no hydrogen 3.305 N/A GLN 477.A N TRP 473.A O no hydrogen 3.212 N/A GLN 477.A N LEU 474.A O no hydrogen 2.956 N/A GLY 478.A N ARG 475.A O no hydrogen 3.298 N/A LYS 479.A N LEU 474.A O no hydrogen 3.170 N/A GLY 482.A N SER 448.A O no hydrogen 2.898 N/A THR 484.A N THR 513.A OG1 no hydrogen 3.341 N/A THR 484.A OG1 GLY 482.A O no hydrogen 3.294 N/A LEU 485.A N VAL 452.A O no hydrogen 2.980 N/A LEU 486.A N GLN 514.A O no hydrogen 3.057 N/A TYR 487.A N MET 454.A O no hydrogen 2.748 N/A TYR 487.A OH ASP 536.A OD2 no hydrogen 2.862 N/A TYR 488.A N ASN 516.A O no hydrogen 2.948 N/A CYS 490.A N ALA 518.A O no hydrogen 3.168 N/A CYS 490.A SG ARG 492.A O no hydrogen 3.900 N/A ARG 491.A N ASP 496.A OD1 no hydrogen 2.984 N/A SER 493.A N GLU 522.A OE2 no hydrogen 3.043 N/A GLU 495.A N ARG 492.A O no hydrogen 2.894 N/A LEU 498.A N TYR 488.A OH no hydrogen 3.083 N/A ARG 500.A NH2 SER 493.A O no hydrogen 2.939 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.742 N/A LEU 503.A N TYR 499.A O no hydrogen 2.948 N/A ALA 504.A N ARG 500.A O no hydrogen 3.015 N/A ARG 505.A N GLU 501.A O no hydrogen 2.905 N/A PHE 506.A N GLU 502.A O no hydrogen 2.915 N/A HIS 507.A N LEU 503.A O no hydrogen 2.919 N/A LYS 508.A N ALA 504.A O no hydrogen 3.052 N/A ASP 509.A N ARG 505.A O no hydrogen 2.841 N/A GLY 510.A N HIS 507.A O no hydrogen 3.439 N/A LEU 512.A N PHE 506.A O no hydrogen 2.960 N/A THR 513.A N THR 484.A O no hydrogen 2.958 N/A GLN 514.A N THR 484.A O no hydrogen 3.335 N/A ASN 516.A N LEU 486.A O no hydrogen 2.952 N/A ASN 516.A ND2 GLN 514.A OE1 no hydrogen 3.204 N/A ALA 518.A N TYR 488.A O no hydrogen 2.918 N/A SER 520.A N CYS 490.A O no hydrogen 3.121 N/A SER 520.A OG CYS 490.A O no hydrogen 3.336 N/A ARG 521.A N ARG 491.A O no hydrogen 2.921 N/A GLN 523.A NE2 PHE 519.A O no hydrogen 3.004 N/A GLN 523.A NE2 HIS 525.A O no hydrogen 3.066 N/A GLN 530.A N GLN 530.A OE1 no hydrogen 2.591 N/A LEU 532.A N TYR 528.A O no hydrogen 3.389 N/A LEU 533.A N VAL 529.A O no hydrogen 2.912 N/A LYS 534.A N GLN 530.A O no hydrogen 2.901 N/A ARG 535.A N HIS 531.A O no hydrogen 2.912 N/A ARG 535.A NE ASP 536.A OD1 no hydrogen 2.779 N/A ARG 535.A NH2 ASN 516.A OD1 no hydrogen 3.274 N/A ARG 535.A NH2 ASP 536.A OD1 no hydrogen 3.165 N/A ARG 535.A NH2 ASP 536.A OD2 no hydrogen 3.141 N/A ASP 536.A N LEU 532.A O no hydrogen 3.050 N/A ARG 537.A N LYS 534.A O no hydrogen 3.374 N/A ARG 537.A NH1 GLU 574.A OE1 no hydrogen 3.229 N/A HIS 539.A N ASP 536.A O no hydrogen 2.732 N/A LEU 540.A N ASP 536.A O no hydrogen 3.462 N/A TRP 541.A N ARG 537.A O no hydrogen 2.921 N/A LYS 542.A N GLU 538.A O no hydrogen 3.215 N/A LEU 543.A N HIS 539.A O no hydrogen 3.283 N/A ILE 544.A N LEU 540.A O no hydrogen 2.918 N/A HIS 545.A N TRP 541.A O no hydrogen 2.871 N/A GLU 546.A N LYS 542.A O no hydrogen 2.728 N/A GLY 547.A N LYS 542.A O no hydrogen 3.208 N/A ALA 549.A N LEU 543.A O no hydrogen 3.190 N/A HIS 550.A N PRO 451.A O no hydrogen 2.871 N/A ILE 551.A N ARG 595.A O no hydrogen 2.392 N/A TYR 552.A N ILE 453.A O no hydrogen 2.856 N/A TYR 552.A OH ARG 443.A O no hydrogen 2.930 N/A VAL 553.A N SER 597.A O no hydrogen 3.122 N/A CYS 554.A N VAL 455.A O no hydrogen 3.093 N/A CYS 554.A SG GLY 460.A O no hydrogen 3.261 N/A CYS 554.A SG ASP 599.A O no hydrogen 3.435 N/A ALA 557.A N TRP 601.A O no hydrogen 3.252 N/A ASN 559.A N ASP 556.A OD2 no hydrogen 3.374 N/A MET 560.A N ASP 556.A OD2 no hydrogen 3.291 N/A ALA 561.A N ASP 556.A O no hydrogen 3.337 N/A ASP 563.A N ASN 559.A O no hydrogen 3.028 N/A VAL 564.A N MET 560.A O no hydrogen 2.893 N/A GLN 565.A N ALA 561.A O no hydrogen 2.997 N/A GLN 565.A NE2 TYR 596.A OH no hydrogen 3.444 N/A ASN 566.A N LYS 562.A O no hydrogen 3.158 N/A THR 567.A N ASP 563.A O no hydrogen 2.970 N/A PHE 568.A N VAL 564.A O no hydrogen 2.918 N/A TYR 569.A N GLN 565.A O no hydrogen 2.908 N/A ASP 570.A N ASN 566.A O no hydrogen 3.064 N/A ILE 571.A N THR 567.A O no hydrogen 2.919 N/A VAL 572.A N PHE 568.A O no hydrogen 2.932 N/A ALA 573.A N TYR 569.A O no hydrogen 2.893 N/A GLU 574.A N ASP 570.A O no hydrogen 3.242 N/A PHE 575.A N ILE 571.A O no hydrogen 3.235 N/A MET 578.A N ALA 573.A O no hydrogen 2.741 N/A GLU 579.A N GLN 582.A OE1 no hydrogen 2.942 N/A ALA 583.A N GLU 579.A O no hydrogen 3.023 N/A VAL 584.A N HIS 580.A O no hydrogen 3.105 N/A ASP 585.A N THR 581.A O no hydrogen 3.409 N/A TYR 586.A N GLN 582.A O no hydrogen 3.108 N/A VAL 587.A N ALA 583.A O no hydrogen 2.920 N/A LYS 588.A N VAL 584.A O no hydrogen 2.905 N/A LYS 589.A N ASP 585.A O no hydrogen 2.905 N/A LEU 590.A N TYR 586.A O no hydrogen 2.934 N/A MET 591.A N VAL 587.A O no hydrogen 3.145 N/A THR 592.A N LYS 588.A O no hydrogen 3.103 N/A THR 592.A OG1 LYS 588.A O no hydrogen 3.115 N/A LYS 593.A N LYS 589.A O no hydrogen 2.914 N/A GLY 594.A N MET 591.A O no hydrogen 2.802 N/A ARG 595.A N LEU 590.A O no hydrogen 2.777 N/A ARG 595.A NE ALA 549.A O no hydrogen 2.976 N/A ARG 595.A NH2 ALA 549.A O no hydrogen 3.115 N/A SER 597.A N ILE 551.A O no hydrogen 2.749 N/A