Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7a3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 HIS 794.A O no hydrogen 2.635 N/A ARG 4.A NH2 HIS 794.A O no hydrogen 2.844 N/A PHE 5.A N LYS 565.A O no hydrogen 2.923 N/A GLN 8.A NE2 LYS 9.A O no hydrogen 2.998 N/A GLY 14.A N SER 11.A OG no hydrogen 2.946 N/A LEU 15.A N SER 11.A O no hydrogen 2.920 N/A ARG 16.A N TRP 12.A O no hydrogen 2.800 N/A ARG 16.A NH2 ASP 13.A OD1 no hydrogen 2.506 N/A SER 17.A N ASP 13.A O no hydrogen 3.205 N/A SER 17.A OG GLY 14.A O no hydrogen 2.983 N/A ILE 18.A N GLY 14.A O no hydrogen 2.981 N/A ILE 19.A N LEU 15.A O no hydrogen 3.180 N/A HIS 20.A N ARG 16.A O no hydrogen 2.936 N/A HIS 20.A ND1 GLU 778.A OE1 no hydrogen 2.958 N/A GLY 21.A N SER 17.A O no hydrogen 3.028 N/A SER 22.A N ILE 19.A O no hydrogen 3.283 N/A SER 22.A OG ILE 19.A O no hydrogen 2.849 N/A ARG 23.A N HIS 20.A O no hydrogen 3.274 N/A HIS 27.A N LEU 48.A O no hydrogen 2.981 N/A HIS 27.A ND1 LEU 48.A O no hydrogen 2.960 N/A GLN 30.A N TYR 46.A O no hydrogen 2.923 N/A VAL 32.A N ARG 44.A O no hydrogen 3.042 N/A LYS 34.A N SER 42.A O no hydrogen 3.288 N/A LYS 34.A NZ GLU 60.A OE1 no hydrogen 3.473 N/A THR 35.A OG1 LYS 34.A O no hydrogen 2.755 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 3.393 N/A GLY 39.A N ASP 36.A O no hydrogen 3.364 N/A SER 42.A N ILE 61.A O no hydrogen 2.819 N/A SER 42.A OG ILE 61.A O no hydrogen 3.544 N/A ARG 44.A N VAL 32.A O no hydrogen 2.686 N/A ARG 44.A NE GLU 60.A OE2 no hydrogen 3.053 N/A ARG 44.A NH2 GLU 60.A OE1 no hydrogen 2.768 N/A ARG 44.A NH2 MET 107.A O no hydrogen 3.147 N/A LEU 45.A N SER 59.A O no hydrogen 2.817 N/A TYR 46.A N GLN 30.A O no hydrogen 3.042 N/A TYR 47.A N LEU 57.A O no hydrogen 3.109 N/A TYR 47.A OH SER 59.A OG no hydrogen 2.801 N/A LEU 48.A N HIS 27.A O no hydrogen 2.761 N/A GLY 49.A N SER 55.A O no hydrogen 3.208 N/A ARG 52.A NH1 GLU 53.A O no hydrogen 3.416 N/A ASN 54.A ND2 ILE 79.A O no hydrogen 3.064 N/A SER 55.A N GLY 49.A O no hydrogen 3.137 N/A LEU 57.A N TYR 47.A O no hydrogen 3.059 N/A TYR 58.A N LYS 76.A O no hydrogen 3.016 N/A TYR 58.A OH VAL 108.A O no hydrogen 2.652 N/A SER 59.A N LEU 45.A O no hydrogen 2.818 N/A SER 59.A OG TYR 47.A OH no hydrogen 2.801 N/A SER 59.A OG SER 74.A O no hydrogen 2.841 N/A ILE 61.A N HIS 43.A O no hydrogen 3.394 N/A LYS 63.A N PRO 40.A O no hydrogen 3.218 N/A LYS 63.A NZ GLY 39.A O no hydrogen 2.361 N/A ARG 66.A NH2 LEU 70.A O no hydrogen 2.963 N/A ALA 69.A N LYS 67.A O no hydrogen 3.072 N/A TRP 75.A NE1 MET 524.A O no hydrogen 2.990 N/A LYS 76.A N TYR 58.A O no hydrogen 3.114 N/A TYR 82.A OH ASP 28.A O no hydrogen 2.956 N/A ASP 83.A N LEU 92.A O no hydrogen 2.764 N/A HIS 85.A N LEU 90.A O no hydrogen 3.187 N/A HIS 85.A ND1 SER 88.A OG no hydrogen 2.993 N/A HIS 85.A NE2 PRO 131.A O no hydrogen 3.089 N/A SER 88.A N HIS 85.A O no hydrogen 3.245 N/A SER 88.A OG HIS 85.A ND1 no hydrogen 2.993 N/A GLY 89.A N HIS 85.A O no hydrogen 2.729 N/A PHE 91.A N CYS 102.A O no hydrogen 2.977 N/A LEU 92.A N ASP 83.A O no hydrogen 2.875 N/A PHE 93.A N PHE 100.A O no hydrogen 3.093 N/A SER 98.A N ALA 95.A O no hydrogen 3.177 N/A SER 98.A OG LEU 99.A O no hydrogen 3.569 N/A SER 98.A OG GLU 115.A OE2 no hydrogen 3.119 N/A PHE 100.A N PHE 93.A O no hydrogen 3.120 N/A HIS 101.A N LEU 114.A O no hydrogen 3.188 N/A ASP 104.A N GLY 89.A O no hydrogen 2.658 N/A ILE 116.A N LEU 99.A O no hydrogen 3.380 N/A LYS 117.A NZ GLU 115.A OE1 no hydrogen 3.284 N/A THR 118.A OG1 GLU 155.A OE1 no hydrogen 2.703 N/A THR 118.A OG1 GLU 155.A OE2 no hydrogen 3.387 N/A CYS 120.A N THR 118.A OG1 no hydrogen 2.813 N/A CYS 120.A SG GLU 155.A OE1 no hydrogen 3.253 N/A ARG 124.A NH1 ILE 116.A O no hydrogen 3.111 N/A ARG 124.A NH2 ILE 116.A O no hydrogen 2.879 N/A MET 125.A N ILE 140.A O no hydrogen 3.138 N/A LYS 128.A N SER 138.A O no hydrogen 3.336 N/A ILE 129.A N ASP 83.A OD2 no hydrogen 2.816 N/A ALA 135.A N ASP 133.A OD1 no hydrogen 3.240 N/A PHE 136.A N ASP 133.A O no hydrogen 3.257 N/A PHE 137.A N ALA 148.A O no hydrogen 3.031 N/A SER 138.A N LYS 128.A O no hydrogen 2.778 N/A SER 138.A OG LYS 128.A O no hydrogen 3.147 N/A SER 138.A OG TYR 188.A OH no hydrogen 2.901 N/A PHE 139.A N TRP 146.A O no hydrogen 3.211 N/A ILE 140.A N MET 125.A O no hydrogen 2.917 N/A ASN 141.A N ASP 144.A O no hydrogen 2.879 N/A ASN 141.A ND2 SER 121.A OG no hydrogen 3.359 N/A ASN 142.A ND2 SER 121.A OG no hydrogen 2.379 N/A LEU 145.A N THR 159.A OG1 no hydrogen 2.637 N/A TRP 146.A N PHE 139.A O no hydrogen 2.846 N/A VAL 147.A N ARG 156.A O no hydrogen 2.806 N/A ALA 148.A N PHE 137.A O no hydrogen 2.908 N/A GLU 151.A N ASN 149.A OD1 no hydrogen 3.097 N/A THR 152.A N ASN 149.A OD1 no hydrogen 3.404 N/A GLY 153.A N ASN 149.A O no hydrogen 2.622 N/A ARG 156.A N VAL 147.A O no hydrogen 2.726 N/A ARG 156.A NE GLU 154.A OE2 no hydrogen 3.405 N/A ARG 156.A NH1 THR 265.A OG1 no hydrogen 3.234 N/A ARG 157.A NE THR 159.A O no hydrogen 2.879 N/A ARG 157.A NH2 ASP 144.A OD2 no hydrogen 2.604 N/A ARG 157.A NH2 HIS 162.A O no hydrogen 2.550 N/A LEU 158.A N LEU 145.A O no hydrogen 2.948 N/A THR 159.A N LEU 145.A O no hydrogen 3.406 N/A THR 159.A OG1 ASP 144.A OD1 no hydrogen 3.116 N/A CYS 161.A N ASP 144.A OD1 no hydrogen 3.035 N/A CYS 161.A SG ASP 144.A OD1 no hydrogen 3.650 N/A CYS 161.A SG GLU 211.A OE1 no hydrogen 3.294 N/A HIS 162.A ND1 LYS 169.A O no hydrogen 3.219 N/A GLN 163.A N ASP 167.A OD2 no hydrogen 3.105 N/A SER 170.A N VAL 212.A O no hydrogen 2.978 N/A ALA 171.A N SER 143.A O no hydrogen 3.034 N/A GLY 172.A N GLU 210.A O no hydrogen 3.265 N/A GLN 179.A N THR 175.A O no hydrogen 3.195 N/A GLN 179.A NE2 ALA 174.A O no hydrogen 3.157 N/A GLU 180.A N PHE 176.A O no hydrogen 3.031 N/A PHE 182.A N ILE 178.A O no hydrogen 3.188 N/A ARG 184.A N ILE 178.A O no hydrogen 3.360 N/A ARG 184.A NE THR 186.A O no hydrogen 2.780 N/A ARG 184.A NH1 ILE 284.A O no hydrogen 2.422 N/A ARG 184.A NH1 ALA 285.A O no hydrogen 3.208 N/A ARG 184.A NH2 GLU 210.A OE1 no hydrogen 3.170 N/A TYR 188.A OH ASP 126.A O no hydrogen 2.527 N/A TYR 188.A OH SER 138.A OG no hydrogen 2.901 N/A TRP 189.A N LEU 208.A O no hydrogen 2.691 N/A TRP 190.A NE1 SER 138.A OG no hydrogen 2.939 N/A CYS 191.A N ARG 206.A O no hydrogen 3.238 N/A CYS 191.A SG THR 193.A O no hydrogen 3.388 N/A THR 193.A OG1 ASP 292.A O no hydrogen 2.449 N/A LYS 203.A N THR 256.A O no hydrogen 3.031 N/A LYS 203.A NZ ASP 133.A OD2 no hydrogen 2.946 N/A THR 204.A N SER 195.A O no hydrogen 2.833 N/A LEU 205.A N PHE 254.A O no hydrogen 3.210 N/A ARG 206.A NH1 GLU 197.A OE1 no hydrogen 3.214 N/A ILE 207.A N ALA 252.A O no hydrogen 3.210 N/A LEU 208.A N TRP 189.A O no hydrogen 2.999 N/A TYR 209.A N LYS 250.A O no hydrogen 2.843 N/A GLU 210.A N GLY 187.A O no hydrogen 2.718 N/A GLU 211.A N ALA 248.A O no hydrogen 2.960 N/A ASP 213.A N LYS 246.A O no hydrogen 2.858 N/A GLU 214.A N PRO 168.A O no hydrogen 3.217 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 2.629 N/A VAL 217.A N GLU 214.A O no hydrogen 3.414 N/A ILE 220.A N TYR 235.A O no hydrogen 3.213 N/A HIS 221.A ND1 THR 232.A OG1 no hydrogen 3.098 N/A VAL 222.A N ASP 233.A O no hydrogen 3.183 N/A SER 224.A N LYS 231.A O no hydrogen 2.791 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.760 N/A GLU 229.A N ALA 226.A O no hydrogen 3.060 N/A ARG 230.A N LEU 227.A O no hydrogen 3.075 N/A THR 232.A OG1 HIS 221.A ND1 no hydrogen 3.098 N/A ASP 233.A N VAL 222.A O no hydrogen 2.877 N/A TYR 235.A N ILE 220.A O no hydrogen 2.964 N/A ARG 236.A NH1 VAL 217.A O no hydrogen 2.903 N/A TYR 237.A OH ASN 739.A O no hydrogen 3.347 N/A THR 240.A N TYR 691.A O no hydrogen 3.169 N/A THR 240.A OG1 TYR 710.A OH no hydrogen 2.592 N/A GLY 241.A N GLU 697.A OE2 no hydrogen 3.300 N/A SER 242.A N ARG 239.A O no hydrogen 2.854 N/A SER 242.A OG ARG 239.A O no hydrogen 2.398 N/A LYS 243.A NZ GLY 241.A O no hydrogen 3.336 N/A ASN 244.A ND2 GLU 282.A OE2 no hydrogen 3.513 N/A ASN 244.A ND2 TYR 283.A OH no hydrogen 3.301 N/A LYS 246.A N ASP 213.A O no hydrogen 3.050 N/A ALA 248.A N GLU 211.A O no hydrogen 3.093 N/A LYS 250.A N TYR 209.A O no hydrogen 2.766 N/A LEU 251.A N LYS 268.A O no hydrogen 2.974 N/A PHE 254.A N LEU 205.A O no hydrogen 3.007 N/A GLN 255.A N SER 264.A O no hydrogen 2.895 N/A THR 256.A N LYS 203.A O no hydrogen 3.136 N/A ASP 257.A N LYS 261.A O no hydrogen 3.054 N/A GLY 260.A N ASP 257.A OD1 no hydrogen 3.096 N/A VAL 263.A N GLN 255.A O no hydrogen 3.099 N/A SER 264.A OG GLN 255.A OE1 no hydrogen 3.158 N/A GLN 266.A N GLU 253.A O no hydrogen 3.201 N/A LYS 268.A N LEU 251.A O no hydrogen 3.077 N/A LYS 268.A NZ GLU 253.A OE2 no hydrogen 3.498 N/A LYS 268.A NZ PHE 318.A O no hydrogen 3.139 N/A GLU 269.A N ILE 319.A O no hydrogen 2.923 N/A VAL 271.A N LEU 317.A O no hydrogen 3.149 N/A SER 276.A N PRO 273.A O no hydrogen 2.893 N/A SER 276.A OG PRO 273.A O no hydrogen 2.479 N/A LEU 277.A N PRO 273.A O no hydrogen 3.276 N/A PHE 278.A N PHE 274.A O no hydrogen 3.180 N/A VAL 281.A N PHE 278.A O no hydrogen 3.366 N/A GLU 282.A N LEU 301.A O no hydrogen 2.803 N/A TYR 283.A N LEU 301.A O no hydrogen 3.300 N/A ALA 285.A N MET 299.A O no hydrogen 2.810 N/A ARG 286.A NE ASP 357.A OD1 no hydrogen 3.211 N/A ARG 286.A NH1 PHE 182.A O no hydrogen 2.913 N/A ARG 286.A NH1 ALA 285.A O no hydrogen 2.812 N/A ARG 286.A NH2 PHE 182.A O no hydrogen 2.660 N/A GLY 288.A N TRP 297.A O no hydrogen 2.975 N/A TRP 289.A NE1 TRP 189.A O no hydrogen 3.088 N/A THR 290.A N TYR 295.A O no hydrogen 2.975 N/A THR 290.A OG1 ASP 292.A OD1 no hydrogen 2.804 N/A THR 290.A OG1 TYR 295.A O no hydrogen 3.051 N/A GLY 293.A N THR 290.A O no hydrogen 3.032 N/A LYS 294.A N ASP 292.A OD1 no hydrogen 3.287 N/A LYS 294.A NZ TYR 295.A OH no hydrogen 3.569 N/A TYR 295.A N THR 290.A OG1 no hydrogen 3.284 N/A TRP 297.A N GLY 288.A O no hydrogen 2.973 N/A ALA 298.A N VAL 311.A O no hydrogen 3.092 N/A MET 299.A N ARG 286.A O no hydrogen 2.827 N/A PHE 300.A N GLN 309.A O no hydrogen 3.162 N/A LEU 301.A N TYR 283.A O no hydrogen 2.897 N/A ASP 302.A N TRP 307.A O no hydrogen 3.115 N/A ARG 303.A NH1 GLU 282.A OE2 no hydrogen 3.265 N/A ARG 303.A NH2 SER 242.A O no hydrogen 2.690 N/A GLN 305.A N ASP 302.A O no hydrogen 2.758 N/A GLN 305.A NE2 GLY 694.A O no hydrogen 2.416 N/A GLN 306.A N ASP 302.A OD1 no hydrogen 3.041 N/A GLN 306.A NE2 VAL 351.A O no hydrogen 3.320 N/A LEU 308.A N GLU 347.A O no hydrogen 3.047 N/A GLN 309.A N PHE 300.A O no hydrogen 3.080 N/A VAL 311.A N ALA 298.A O no hydrogen 3.073 N/A LEU 312.A N TYR 342.A O no hydrogen 3.015 N/A LEU 313.A N ALA 296.A O no hydrogen 2.678 N/A LEU 317.A N PRO 314.A O no hydrogen 2.784 N/A PHE 318.A N PRO 315.A O no hydrogen 2.890 N/A ILE 319.A N GLU 269.A O no hydrogen 3.052 N/A SER 321.A N GLU 267.A O no hydrogen 3.478 N/A THR 322.A OG1 GLN 327.A OE1 no hydrogen 3.048 N/A ARG 328.A N ASN 324.A O no hydrogen 2.833 N/A LEU 329.A N GLU 326.A O no hydrogen 3.294 N/A ALA 330.A N GLN 327.A O no hydrogen 3.091 N/A ALA 332.A N ARG 328.A O no hydrogen 3.075 N/A ARG 333.A N LEU 329.A O no hydrogen 2.814 N/A ALA 334.A N ALA 330.A O no hydrogen 2.970 N/A TYR 342.A N LEU 312.A O no hydrogen 3.366 N/A VAL 343.A N PHE 408.A O no hydrogen 2.900 N/A VAL 344.A N LEU 310.A O no hydrogen 3.054 N/A TYR 345.A OH GLU 415.A OE2 no hydrogen 3.122 N/A GLU 347.A N LEU 308.A O no hydrogen 3.239 N/A THR 349.A N GLN 306.A O no hydrogen 3.473 N/A VAL 351.A N THR 349.A OG1 no hydrogen 3.042 N/A ILE 353.A N GLN 305.A O no hydrogen 2.765 N/A ASN 354.A ND2 GLU 375.A OE1 no hydrogen 3.109 N/A ASN 354.A ND2 GLU 619.A OE1 no hydrogen 3.134 N/A ASP 357.A N ALA 427.A O no hydrogen 2.848 N/A TYR 360.A N LEU 371.A O no hydrogen 2.911 N/A TYR 360.A OH GLU 437.A OE1 no hydrogen 3.213 N/A PHE 362.A N CYS 369.A O no hydrogen 2.765 N/A GLN 364.A NE2 GLU 367.A O no hydrogen 2.836 N/A LEU 368.A N ALA 388.A O no hydrogen 2.878 N/A CYS 369.A SG VAL 386.A O no hydrogen 4.022 N/A CYS 369.A SG THR 387.A OG1 no hydrogen 3.543 N/A PHE 370.A N VAL 386.A O no hydrogen 2.993 N/A LEU 371.A N TYR 360.A O no hydrogen 3.073 N/A ARG 372.A N TYR 384.A O no hydrogen 3.145 N/A ARG 372.A NE GLU 347.A OE2 no hydrogen 2.930 N/A ARG 372.A NH1 GLU 347.A OE2 no hydrogen 2.673 N/A ARG 372.A NH2 HIS 356.A O no hydrogen 3.135 N/A ASN 374.A N HIS 382.A O no hydrogen 3.106 N/A ASN 374.A ND2 TYR 345.A OH no hydrogen 3.142 N/A CYS 376.A SG GLU 347.A OE1 no hydrogen 3.279 N/A LYS 377.A N ASN 374.A OD1 no hydrogen 2.858 N/A LYS 377.A NZ GLU 415.A OE2 no hydrogen 2.689 N/A THR 378.A OG1 PHE 380.A O no hydrogen 3.238 N/A PHE 380.A N THR 378.A OG1 no hydrogen 3.334 N/A CYS 381.A SG VAL 425.A O no hydrogen 3.446 N/A HIS 382.A ND1 THR 419.A OG1 no hydrogen 2.781 N/A HIS 382.A NE2 GLY 421.A O no hydrogen 2.643 N/A LEU 383.A N THR 419.A OG1 no hydrogen 3.103 N/A TYR 384.A N ARG 372.A O no hydrogen 2.949 N/A LYS 385.A N ILE 416.A O no hydrogen 2.930 N/A VAL 386.A N PHE 370.A O no hydrogen 3.051 N/A THR 387.A N GLU 414.A O no hydrogen 2.778 N/A ALA 388.A N LEU 368.A O no hydrogen 2.970 N/A VAL 389.A N PRO 411.A O no hydrogen 2.921 N/A GLN 393.A N GLN 340.A OE1 no hydrogen 3.201 N/A TYR 395.A N ARG 337.A O no hydrogen 3.128 N/A TYR 395.A OH GLU 407.A OE1 no hydrogen 2.563 N/A TRP 397.A NE1 VAL 339.A O no hydrogen 3.336 N/A SER 398.A N ASP 396.A OD1 no hydrogen 3.249 N/A SER 398.A OG ASP 396.A OD1 no hydrogen 2.570 N/A GLY 404.A N GLU 407.A OE2 no hydrogen 2.978 N/A LYS 409.A NZ VAL 344.A O no hydrogen 3.019 N/A CYS 410.A N VAL 343.A O no hydrogen 2.848 N/A CYS 410.A SG VAL 343.A O no hydrogen 3.518 N/A CYS 410.A SG PHE 408.A O no hydrogen 3.998 N/A LYS 413.A N THR 387.A O no hydrogen 3.064 N/A ILE 416.A N LYS 385.A O no hydrogen 2.676 N/A LEU 418.A N LEU 383.A O no hydrogen 3.235 N/A THR 419.A OG1 HIS 382.A ND1 no hydrogen 2.781 N/A GLU 424.A N THR 447.A OG1 no hydrogen 2.809 N/A VAL 425.A N CYS 381.A O no hydrogen 2.776 N/A LEU 426.A N GLN 445.A O no hydrogen 3.049 N/A SER 431.A N ARG 428.A O no hydrogen 3.243 N/A SER 431.A OG ARG 428.A O no hydrogen 3.467 N/A TRP 434.A N TYR 443.A O no hydrogen 2.888 N/A ASN 436.A N LEU 441.A O no hydrogen 3.035 N/A GLU 438.A N ASN 436.A OD1 no hydrogen 3.248 N/A THR 439.A N ASN 436.A O no hydrogen 3.360 N/A THR 439.A OG1 ASN 436.A O no hydrogen 3.424 N/A LYS 440.A NZ GLU 437.A O no hydrogen 3.070 N/A LEU 441.A N ASN 436.A O no hydrogen 3.288 N/A VAL 442.A N VAL 459.A O no hydrogen 2.673 N/A TYR 443.A N TRP 434.A O no hydrogen 2.675 N/A PHE 444.A N TYR 457.A O no hydrogen 2.983 N/A GLN 445.A NE2 HIS 477.A O no hydrogen 2.995 N/A GLY 446.A N HIS 455.A O no hydrogen 2.869 N/A THR 447.A N GLU 424.A O no hydrogen 2.978 N/A THR 447.A OG1 GLU 424.A O no hydrogen 3.175 N/A ASP 449.A N TYR 457.A OH no hydrogen 2.873 N/A GLU 453.A N THR 450.A O no hydrogen 3.210 N/A HIS 454.A N SER 476.A OG no hydrogen 2.957 N/A HIS 455.A N GLY 446.A O no hydrogen 3.170 N/A HIS 455.A ND1 THR 471.A OG1 no hydrogen 2.612 N/A HIS 455.A NE2 GLU 453.A OE1 no hydrogen 3.195 N/A LEU 456.A N THR 471.A OG1 no hydrogen 3.118 N/A TYR 457.A N PHE 444.A O no hydrogen 2.784 N/A TYR 457.A OH ASP 449.A OD1 no hydrogen 3.246 N/A VAL 458.A N VAL 468.A O no hydrogen 2.969 N/A VAL 459.A N VAL 442.A O no hydrogen 3.119 N/A SER 460.A OG LYS 440.A O no hydrogen 3.199 N/A TYR 461.A N LYS 440.A O no hydrogen 2.952 N/A VAL 468.A N VAL 458.A O no hydrogen 3.026 N/A ARG 469.A NE ASP 449.A OD1 no hydrogen 3.322 N/A ARG 469.A NH1 THR 471.A O no hydrogen 3.401 N/A LEU 470.A N LEU 456.A O no hydrogen 2.926 N/A THR 471.A OG1 HIS 455.A ND1 no hydrogen 2.612 N/A GLY 474.A N GLU 453.A OE1 no hydrogen 3.413 N/A SER 476.A N SER 493.A O no hydrogen 3.090 N/A HIS 477.A N HIS 454.A O no hydrogen 2.646 N/A SER 478.A N HIS 491.A O no hydrogen 2.814 N/A CYS 479.A N GLN 445.A OE1 no hydrogen 3.023 N/A CYS 479.A SG VAL 489.A O no hydrogen 3.771 N/A CYS 479.A SG SER 490.A OG no hydrogen 3.455 N/A SER 480.A N VAL 489.A O no hydrogen 3.178 N/A SER 482.A N MET 487.A O no hydrogen 2.946 N/A SER 482.A OG ASP 486.A OD1 no hydrogen 3.259 N/A GLN 483.A NE2 PHE 31.A O no hydrogen 3.417 N/A ASN 484.A N SER 482.A OG no hydrogen 3.175 N/A PHE 485.A N SER 482.A O no hydrogen 3.285 N/A PHE 488.A N TYR 504.A O no hydrogen 3.137 N/A VAL 489.A N SER 480.A O no hydrogen 2.954 N/A SER 490.A N HIS 502.A O no hydrogen 3.029 N/A HIS 491.A N SER 478.A O no hydrogen 2.915 N/A TYR 492.A N CYS 500.A O no hydrogen 3.034 N/A SER 493.A N SER 476.A O no hydrogen 3.283 N/A SER 494.A N THR 497.A O no hydrogen 3.168 N/A SER 494.A OG SER 496.A OG no hydrogen 3.051 N/A SER 494.A OG THR 497.A OG1 no hydrogen 2.901 N/A VAL 495.A N ASN 583.A OD1 no hydrogen 3.045 N/A SER 496.A OG SER 494.A OG no hydrogen 3.051 N/A THR 497.A N SER 494.A OG no hydrogen 3.092 N/A THR 497.A OG1 SER 494.A OG no hydrogen 2.901 N/A CYS 500.A N TYR 492.A O no hydrogen 2.889 N/A CYS 500.A SG GLU 526.A OE1 no hydrogen 3.718 N/A VAL 501.A N MET 525.A O no hydrogen 2.947 N/A HIS 502.A N SER 490.A O no hydrogen 3.141 N/A VAL 503.A N ALA 522.A O no hydrogen 2.634 N/A TYR 504.A N PHE 488.A O no hydrogen 2.908 N/A LYS 505.A N ARG 519.A O no hydrogen 2.907 N/A LEU 506.A N ASP 486.A O no hydrogen 2.983 N/A SER 507.A N GLN 517.A O no hydrogen 2.889 N/A LYS 516.A N PRO 513.A O no hydrogen 3.411 N/A LYS 516.A NZ GLY 508.A O no hydrogen 3.250 N/A GLN 517.A N SER 507.A O no hydrogen 2.930 N/A ARG 519.A N LYS 505.A O no hydrogen 2.918 N/A TRP 521.A N VAL 503.A O no hydrogen 3.103 N/A TRP 521.A NE1 PRO 62.A O no hydrogen 3.182 N/A ALA 522.A N VAL 503.A O no hydrogen 3.255 N/A SER 523.A N LEU 71.A O no hydrogen 2.716 N/A SER 523.A OG GLU 526.A OE2 no hydrogen 2.724 N/A MET 524.A N VAL 501.A O no hydrogen 2.636 N/A TYR 534.A N PRO 531.A O no hydrogen 3.043 N/A GLU 538.A N ILE 554.A O no hydrogen 2.740 N/A PHE 540.A N GLY 552.A O no hydrogen 2.664 N/A PHE 542.A N LEU 550.A O no hydrogen 2.949 N/A THR 544.A N VAL 548.A O no hydrogen 3.178 N/A THR 544.A OG1 SER 546.A OG no hydrogen 2.745 N/A THR 544.A OG1 VAL 548.A O no hydrogen 3.355 N/A ARG 545.A N GLU 636.A OE2 no hydrogen 3.176 N/A SER 546.A OG THR 544.A OG1 no hydrogen 2.745 N/A ASP 547.A N THR 544.A O no hydrogen 2.909 N/A VAL 548.A N THR 544.A OG1 no hydrogen 3.290 N/A ARG 549.A NH1 TYR 551.A OH no hydrogen 3.437 N/A LEU 550.A N PHE 542.A O no hydrogen 2.784 N/A GLY 552.A N PHE 540.A O no hydrogen 2.945 N/A MET 553.A N VAL 605.A O no hydrogen 2.882 N/A ILE 554.A N GLU 538.A O no hydrogen 2.970 N/A TYR 555.A N VAL 603.A O no hydrogen 2.856 N/A LYS 556.A NZ GLU 538.A OE1 no hydrogen 2.726 N/A HIS 558.A ND1 ASP 533.A OD2 no hydrogen 3.287 N/A LYS 564.A NZ ALA 2.A O no hydrogen 3.152 N/A LYS 565.A N ALA 3.A O no hydrogen 2.958 N/A LYS 565.A NZ GLY 646.A O no hydrogen 2.540 N/A HIS 566.A N PHE 647.A O no hydrogen 2.620 N/A HIS 566.A ND1 GLY 600.A O no hydrogen 2.791 N/A THR 568.A N ARG 652.A O no hydrogen 2.959 N/A THR 568.A OG1 HIS 566.A O no hydrogen 3.556 N/A LEU 570.A N ALA 654.A O no hydrogen 3.031 N/A PHE 571.A N VAL 604.A O no hydrogen 2.960 N/A VAL 572.A N HIS 656.A O no hydrogen 3.075 N/A GLN 579.A NE2 PRO 451.A O no hydrogen 3.616 N/A LEU 580.A N ASP 607.A OD1 no hydrogen 3.112 N/A VAL 581.A N ASP 607.A OD2 no hydrogen 3.022 N/A ASN 582.A ND2 GLN 579.A O no hydrogen 3.308 N/A ASN 583.A N LEU 452.A O no hydrogen 2.608 N/A ASN 583.A ND2 GLU 453.A OE2 no hydrogen 2.783 N/A ASN 583.A ND2 GLY 474.A O no hydrogen 2.784 N/A SER 584.A N ASN 582.A O no hydrogen 3.024 N/A SER 584.A OG ASN 582.A OD1 no hydrogen 2.407 N/A PHE 585.A N SER 493.A OG no hydrogen 3.362 N/A LYS 586.A NZ LEU 580.A O no hydrogen 2.625 N/A LYS 586.A NZ ASN 582.A OD1 no hydrogen 3.275 N/A TYR 590.A N LYS 586.A O no hydrogen 2.645 N/A ASN 594.A ND2 ASP 533.A O no hydrogen 3.696 N/A ASN 594.A ND2 VAL 535.A O no hydrogen 3.036 N/A THR 595.A N LEU 591.A O no hydrogen 2.611 N/A THR 595.A OG1 LEU 591.A O no hydrogen 3.002 N/A LEU 596.A N ARG 592.A O no hydrogen 2.757 N/A ALA 597.A N LEU 593.A O no hydrogen 3.010 N/A SER 598.A N ASN 594.A O no hydrogen 2.850 N/A SER 598.A OG THR 595.A O no hydrogen 2.652 N/A LEU 599.A N THR 595.A O no hydrogen 3.269 N/A LEU 599.A N LEU 596.A O no hydrogen 3.118 N/A GLY 600.A N ALA 597.A O no hydrogen 2.913 N/A TYR 601.A N LEU 596.A O no hydrogen 3.235 N/A ALA 602.A N PRO 567.A O no hydrogen 2.967 N/A VAL 603.A N TYR 555.A O no hydrogen 3.486 N/A VAL 604.A N VAL 569.A O no hydrogen 3.241 N/A VAL 605.A N MET 553.A O no hydrogen 3.191 N/A ASP 607.A N TYR 551.A O no hydrogen 3.315 N/A ARG 609.A N ASP 633.A OD2 no hydrogen 2.714 N/A SER 611.A OG GLY 608.A O no hydrogen 2.880 N/A CYS 612.A N VAL 578.A O no hydrogen 2.852 N/A GLY 615.A N GLU 424.A OE1 no hydrogen 3.196 N/A LEU 616.A N GLY 379.A O no hydrogen 2.689 N/A GLY 620.A N LEU 616.A O no hydrogen 2.880 N/A ALA 621.A N PHE 618.A O no hydrogen 3.394 N/A LEU 622.A N GLU 619.A O no hydrogen 3.483 N/A LYS 623.A N GLY 620.A O no hydrogen 3.131 N/A LYS 623.A NZ VAL 351.A O no hydrogen 3.207 N/A ASN 624.A N TYR 699.A O no hydrogen 2.957 N/A GLN 625.A N LEU 622.A O no hydrogen 2.776 N/A GLY 627.A N GLU 630.A OE1 no hydrogen 3.448 N/A GLY 627.A N GLU 630.A OE2 no hydrogen 2.758 N/A GLN 634.A N GLU 630.A O no hydrogen 3.239 N/A GLN 634.A NE2 ILE 606.A O no hydrogen 3.223 N/A VAL 635.A N ILE 631.A O no hydrogen 3.092 N/A GLU 636.A N GLU 632.A O no hydrogen 2.994 N/A GLY 637.A N ASP 633.A O no hydrogen 3.024 N/A LEU 638.A N GLN 634.A O no hydrogen 2.782 N/A GLN 639.A N VAL 635.A O no hydrogen 2.777 N/A PHE 640.A N GLU 636.A O no hydrogen 2.818 N/A VAL 641.A N GLY 637.A O no hydrogen 3.450 N/A ALA 642.A N LEU 638.A O no hydrogen 3.096 N/A GLU 643.A N GLN 639.A O no hydrogen 3.214 N/A GLU 643.A N PHE 640.A O no hydrogen 2.978 N/A LYS 644.A N PHE 640.A O no hydrogen 2.915 N/A TYR 645.A N VAL 641.A O no hydrogen 3.154 N/A TYR 645.A OH GLU 538.A OE2 no hydrogen 2.718 N/A ASP 649.A N HIS 566.A O no hydrogen 2.837 N/A SER 651.A N ASP 649.A OD1 no hydrogen 3.130 N/A SER 651.A OG ASP 649.A OD1 no hydrogen 3.358 N/A ARG 652.A NE ASP 649.A OD2 no hydrogen 2.979 N/A ARG 652.A NH1 PHE 5.A O no hydrogen 2.976 N/A ARG 652.A NH2 PHE 5.A O no hydrogen 2.937 N/A ARG 652.A NH2 ASP 649.A OD2 no hydrogen 3.304 N/A ALA 654.A N THR 568.A O no hydrogen 2.790 N/A HIS 656.A N LEU 570.A O no hydrogen 2.980 N/A HIS 656.A ND1 ILE 680.A O no hydrogen 2.936 N/A HIS 656.A NE2 TYR 780.A OH no hydrogen 2.719 N/A GLY 657.A N ILE 680.A O no hydrogen 3.268 N/A SER 659.A N GLY 682.A O no hydrogen 2.808 N/A TYR 660.A OH GLU 630.A OE2 no hydrogen 2.978 N/A GLY 661.A N TRP 658.A O no hydrogen 2.926 N/A PHE 663.A N SER 659.A O no hydrogen 2.752 N/A LEU 664.A N TYR 660.A O no hydrogen 2.663 N/A SER 665.A N GLY 661.A O no hydrogen 2.856 N/A SER 665.A OG GLY 661.A O no hydrogen 2.943 N/A LEU 666.A N GLY 662.A O no hydrogen 3.338 N/A MET 667.A N PHE 663.A O no hydrogen 2.984 N/A GLY 668.A N LEU 664.A O no hydrogen 2.552 N/A LEU 669.A N SER 665.A O no hydrogen 2.996 N/A ILE 670.A N LEU 666.A O no hydrogen 2.863 N/A HIS 671.A N MET 667.A O no hydrogen 2.858 N/A LYS 672.A N GLY 668.A O no hydrogen 2.826 N/A GLN 674.A N GLN 674.A OE1 no hydrogen 2.872 N/A VAL 675.A N LYS 672.A O no hydrogen 3.222 N/A PHE 676.A N LYS 672.A O no hydrogen 3.267 N/A LYS 677.A N VAL 653.A O no hydrogen 2.966 N/A LYS 677.A NZ PRO 673.A O no hydrogen 3.202 N/A ALA 679.A N ARG 728.A O no hydrogen 2.894 N/A ILE 680.A N ILE 655.A O no hydrogen 3.064 N/A ALA 681.A N LEU 730.A O no hydrogen 2.889 N/A GLY 682.A N GLY 657.A O no hydrogen 2.998 N/A ALA 683.A N LEU 732.A O no hydrogen 2.667 N/A THR 686.A OG1 HIS 744.A O no hydrogen 2.772 N/A TRP 688.A N SER 714.A OG no hydrogen 3.208 N/A ALA 690.A N VAL 687.A O no hydrogen 3.408 N/A TYR 691.A N TRP 688.A O no hydrogen 3.118 N/A THR 693.A OG1 ASN 244.A OD1 no hydrogen 2.980 N/A THR 696.A N ASP 692.A O no hydrogen 3.217 N/A THR 696.A OG1 ASP 692.A O no hydrogen 2.459 N/A GLU 697.A N THR 693.A O no hydrogen 2.882 N/A ARG 698.A NE GLN 305.A OE1 no hydrogen 2.866 N/A ARG 698.A NH1 TYR 699.A OH no hydrogen 3.360 N/A ARG 698.A NH2 GLU 181.A O no hydrogen 3.301 N/A ARG 698.A NH2 GLN 305.A OE1 no hydrogen 3.556 N/A TYR 699.A N THR 696.A O no hydrogen 3.187 N/A MET 700.A N THR 696.A O no hydrogen 2.815 N/A VAL 702.A N ASP 701.A OD1 no hydrogen 2.795 N/A ASN 705.A N VAL 702.A O no hydrogen 2.846 N/A ASN 705.A ND2 ASP 701.A OD1 no hydrogen 2.668 N/A ASN 706.A N VAL 702.A O no hydrogen 3.098 N/A ASN 706.A ND2 ASN 624.A O no hydrogen 3.468 N/A ASN 706.A ND2 MET 700.A O no hydrogen 3.064 N/A GLY 709.A N ASN 706.A O no hydrogen 3.047 N/A TYR 710.A N ASN 706.A O no hydrogen 2.992 N/A TYR 710.A OH THR 240.A OG1 no hydrogen 2.592 N/A TYR 710.A OH ASP 701.A O no hydrogen 2.872 N/A GLU 711.A N GLN 707.A O no hydrogen 3.299 N/A ALA 712.A N HIS 708.A O no hydrogen 3.347 N/A GLY 713.A N GLY 709.A O no hydrogen 3.211 N/A SER 714.A N GLU 711.A O no hydrogen 3.263 N/A SER 714.A OG TYR 710.A O no hydrogen 2.657 N/A ALA 716.A N THR 686.A O no hydrogen 3.017 N/A LEU 717.A N SER 714.A O no hydrogen 3.282 N/A HIS 718.A N VAL 715.A O no hydrogen 3.278 N/A GLU 720.A N GLU 720.A OE1 no hydrogen 3.203 N/A LYS 721.A N HIS 718.A O no hydrogen 3.233 N/A LEU 722.A N VAL 719.A O no hydrogen 3.041 N/A ARG 728.A NE LYS 677.A O no hydrogen 2.715 N/A ARG 728.A NH1 GLU 725.A OE1 no hydrogen 2.921 N/A ARG 728.A NH2 PRO 673.A O no hydrogen 2.809 N/A ARG 728.A NH2 PHE 676.A O no hydrogen 3.022 N/A LEU 730.A N ALA 679.A O no hydrogen 2.962 N/A ILE 731.A N GLN 760.A O no hydrogen 3.072 N/A LEU 732.A N ALA 681.A O no hydrogen 2.849 N/A HIS 733.A N GLN 762.A O no hydrogen 3.294 N/A HIS 733.A ND1 GLY 734.A O no hydrogen 3.193 N/A LEU 736.A N GLU 767.A O no hydrogen 3.365 N/A ASP 737.A N GLY 734.A O no hydrogen 2.765 N/A GLU 738.A N GLU 738.A OE1 no hydrogen 2.843 N/A ASN 739.A N ASP 737.A OD1 no hydrogen 3.037 N/A ASN 739.A ND2 GLU 180.A OE2 no hydrogen 3.022 N/A ASN 739.A ND2 GLU 738.A OE1 no hydrogen 3.554 N/A VAL 740.A N ASP 737.A OD1 no hydrogen 3.168 N/A HIS 744.A N HIS 741.A O no hydrogen 3.061 N/A HIS 744.A ND1 HIS 741.A O no hydrogen 2.902 N/A ASN 746.A N PHE 742.A O no hydrogen 2.975 N/A PHE 747.A N PHE 743.A O no hydrogen 2.525 N/A LEU 748.A N HIS 744.A O no hydrogen 2.899 N/A VAL 749.A N THR 745.A O no hydrogen 2.806 N/A SER 750.A N ASN 746.A O no hydrogen 2.917 N/A SER 750.A OG PHE 747.A O no hydrogen 3.439 N/A GLN 751.A N PHE 747.A O no hydrogen 2.994 N/A GLN 751.A NE2 ALA 716.A O no hydrogen 3.440 N/A LEU 752.A N LEU 748.A O no hydrogen 2.783 N/A ILE 753.A N VAL 749.A O no hydrogen 3.176 N/A ARG 754.A N SER 750.A O no hydrogen 3.383 N/A ALA 755.A N GLN 751.A O no hydrogen 3.136 N/A LYS 757.A N LEU 752.A O no hydrogen 2.852 N/A LYS 757.A NZ GLU 720.A O no hydrogen 3.445 N/A LYS 757.A NZ LEU 722.A O no hydrogen 3.017 N/A LYS 757.A NZ ASN 724.A OD1 no hydrogen 2.867 N/A GLN 760.A N LEU 729.A O no hydrogen 3.120 N/A GLN 762.A N ILE 731.A O no hydrogen 2.757 N/A TYR 764.A N HIS 733.A O no hydrogen 2.961 N/A ARG 768.A NH1 LEU 736.A O no hydrogen 3.398 N/A HIS 769.A ND1 ASP 737.A OD2 no hydrogen 2.843 N/A ARG 772.A N GLU 767.A OE1 no hydrogen 2.462 N/A CYS 773.A N GLU 767.A OE1 no hydrogen 3.305 N/A CYS 773.A SG GLU 775.A OE1 no hydrogen 3.666 N/A SER 776.A OG GLU 767.A OE2 no hydrogen 3.135 N/A GLY 777.A N CYS 773.A O no hydrogen 3.346 N/A GLU 778.A N PRO 774.A O no hydrogen 2.869 N/A HIS 779.A N GLU 775.A O no hydrogen 3.011 N/A TYR 780.A N SER 776.A O no hydrogen 2.905 N/A TYR 780.A OH HIS 656.A NE2 no hydrogen 2.719 N/A GLU 781.A N GLY 777.A O no hydrogen 3.008 N/A VAL 782.A N GLU 778.A O no hydrogen 2.914 N/A THR 783.A N HIS 779.A O no hydrogen 2.995 N/A THR 783.A OG1 HIS 779.A O no hydrogen 3.155 N/A LEU 784.A N TYR 780.A O no hydrogen 3.059 N/A LEU 785.A N GLU 781.A O no hydrogen 3.005 N/A HIS 786.A N VAL 782.A O no hydrogen 2.850 N/A PHE 787.A N THR 783.A O no hydrogen 2.766 N/A LEU 788.A N LEU 784.A O no hydrogen 3.049 N/A GLN 789.A N LEU 785.A O no hydrogen 2.833 N/A GLN 789.A NE2 HIS 10.A O no hydrogen 2.775 N/A GLU 790.A N HIS 786.A O no hydrogen 3.071 N/A TYR 791.A N PHE 787.A O no hydrogen 3.001 N/A TYR 791.A OH GLN 760.A OE1 no hydrogen 3.401 N/A LEU 792.A N LEU 788.A O no hydrogen 3.072 N/A HIS 793.A N TYR 791.A O no hydrogen 2.726 N/A HIS 793.A NE2 GLN 789.A O no hydrogen 2.973 N/A