Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2win_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 10.A N ALA 7.A O no hydrogen 3.206 N/A ILE 11.A N GLU 8.A O no hydrogen 3.416 N/A SER 13.A OG GLU 161.A OE2 no hydrogen 2.741 N/A ARG 14.A N GLY 174.A O no hydrogen 2.712 N/A ARG 14.A NE ASP 173.A OD1 no hydrogen 2.754 N/A ARG 14.A NE ASP 173.A OD2 no hydrogen 3.151 N/A ARG 14.A NH1 ASP 47.A O no hydrogen 2.897 N/A ARG 14.A NH2 ILE 81.A O no hydrogen 3.213 N/A ARG 14.A NH2 ASP 173.A OD2 no hydrogen 2.890 N/A SER 15.A N ASP 47.A OD2 no hydrogen 3.002 N/A GLU 16.A N ASP 47.A OD2 no hydrogen 3.126 N/A ILE 36.A N LYS 33.A O no hydrogen 3.285 N/A SER 37.A OG GLU 30.A O no hydrogen 3.367 N/A LYS 39.A NZ GLU 30.A OE2 no hydrogen 3.174 N/A ASP 47.A N GLU 16.A O no hydrogen 3.111 N/A THR 51.A N THR 50.A OG1 no hydrogen 2.575 N/A THR 51.A OG1 THR 74.A OG1 no hydrogen 3.209 N/A TRP 52.A N VAL 73.A O no hydrogen 2.845 N/A ILE 54.A N PHE 71.A O no hydrogen 2.833 N/A SER 58.A N CYS 66.A O no hydrogen 3.004 N/A SER 58.A OG CYS 66.A O no hydrogen 3.454 N/A SER 60.A N GLY 64.A O no hydrogen 3.155 N/A LYS 62.A N SER 60.A OG no hydrogen 3.215 N/A LYS 62.A NZ ASP 61.A OD1 no hydrogen 3.545 N/A CYS 66.A N SER 58.A O no hydrogen 3.027 N/A ALA 68.A N ALA 56.A O no hydrogen 2.900 N/A PHE 71.A N ILE 54.A O no hydrogen 2.995 N/A VAL 73.A N TRP 52.A O no hydrogen 2.826 N/A THR 74.A OG1 THR 51.A OG1 no hydrogen 3.209 N/A VAL 75.A N THR 50.A O no hydrogen 2.830 N/A ILE 81.A N ASP 173.A OD2 no hydrogen 3.325 N/A ASP 82.A N VAL 100.A O no hydrogen 2.805 N/A ARG 84.A N ARG 98.A O no hydrogen 3.168 N/A ARG 84.A NH1 ASP 82.A OD2 no hydrogen 3.520 N/A VAL 89.A N LYS 180.A O no hydrogen 3.075 N/A ARG 91.A N VAL 182.A O no hydrogen 3.254 N/A ASN 92.A N PRO 152.A O no hydrogen 2.949 N/A ASN 92.A ND2 PRO 152.A O no hydrogen 3.562 N/A GLU 93.A N VAL 90.A O no hydrogen 3.260 N/A GLN 94.A NE2 GLY 740.A O no hydrogen 3.183 N/A VAL 95.A N ILE 150.A O no hydrogen 3.264 N/A ILE 97.A N TYR 148.A O no hydrogen 2.992 N/A LEU 101.A N LEU 144.A O no hydrogen 2.827 N/A TYR 102.A N PHE 80.A O no hydrogen 3.195 N/A ASN 103.A N SER 142.A O no hydrogen 2.925 N/A ASN 103.A ND2 GLN 108.A O no hydrogen 3.214 N/A ASN 103.A ND2 ILE 138.A O no hydrogen 3.198 N/A ASN 103.A ND2 PRO 139.A O no hydrogen 3.482 N/A TYR 104.A N ASP 78.A O no hydrogen 3.149 N/A ARG 105.A N ASN 103.A OD1 no hydrogen 3.195 N/A LEU 110.A N ILE 138.A O no hydrogen 3.003 N/A VAL 112.A N VAL 136.A O no hydrogen 2.917 N/A ARG 113.A N ALA 165.A O no hydrogen 2.829 N/A ARG 113.A NH1 ARG 113.A O no hydrogen 3.084 N/A VAL 114.A N GLN 134.A O no hydrogen 3.242 N/A GLU 115.A N LYS 163.A O no hydrogen 2.759 N/A LEU 116.A N HIS 132.A O no hydrogen 3.292 N/A LEU 117.A N GLU 161.A O no hydrogen 3.179 N/A HIS 118.A ND1 ALA 126.A O no hydrogen 2.947 N/A ASN 119.A ND2 GLU 159.A O no hydrogen 2.856 N/A ALA 121.A N ASN 119.A OD1 no hydrogen 2.988 N/A PHE 122.A N ASN 119.A O no hydrogen 2.760 N/A CYS 123.A N VAL 151.A O no hydrogen 3.161 N/A THR 127.A N ARG 130.A O no hydrogen 2.869 N/A ARG 131.A NH1 GLU 115.A OE1 no hydrogen 3.552 N/A ARG 131.A NH1 GLU 115.A OE2 no hydrogen 2.848 N/A ARG 131.A NH2 GLU 9.A OE1 no hydrogen 3.451 N/A GLN 134.A N VAL 114.A O no hydrogen 2.920 N/A ILE 138.A N LEU 110.A O no hydrogen 3.070 N/A SER 142.A N ASN 103.A O no hydrogen 3.061 N/A SER 142.A OG PRO 139.A O no hydrogen 2.672 N/A LEU 144.A N LEU 101.A O no hydrogen 3.099 N/A VAL 146.A N ALA 99.A O no hydrogen 3.072 N/A TYR 148.A OH GLN 134.A OE1 no hydrogen 3.265 N/A ILE 150.A N VAL 95.A O no hydrogen 3.214 N/A LEU 153.A N ALA 121.A O no hydrogen 2.829 N/A GLY 156.A N VAL 181.A O no hydrogen 3.125 N/A GLN 158.A N LEU 179.A O no hydrogen 3.204 N/A GLN 158.A NE2 LYS 154.A O no hydrogen 3.093 N/A GLN 158.A NE2 THR 155.A O no hydrogen 3.001 N/A VAL 160.A N LYS 177.A O no hydrogen 3.113 N/A VAL 162.A N VAL 175.A O no hydrogen 3.081 N/A LYS 163.A N GLU 115.A O no hydrogen 2.973 N/A LYS 163.A NZ GLU 8.A O no hydrogen 3.145 N/A LYS 163.A NZ GLU 8.A OE2 no hydrogen 3.060 N/A LYS 163.A NZ ILE 11.A O no hydrogen 3.103 N/A ALA 165.A N ARG 113.A O no hydrogen 3.095 N/A VAL 166.A N ILE 171.A O no hydrogen 3.367 N/A TYR 167.A N LYS 111.A O no hydrogen 2.821 N/A HIS 168.A N ASP 4.A O no hydrogen 2.920 N/A HIS 169.A N TYR 167.A O no hydrogen 2.690 N/A ASP 173.A N ALA 164.A O no hydrogen 3.187 N/A VAL 175.A N VAL 162.A O no hydrogen 2.845 N/A ARG 176.A N ARG 14.A O no hydrogen 2.912 N/A LYS 177.A NZ LEU 83.A O no hydrogen 3.033 N/A LYS 180.A NZ TYR 87.A OH no hydrogen 3.359 N/A VAL 181.A N GLY 156.A O no hydrogen 3.235 N/A VAL 182.A N VAL 89.A O no hydrogen 3.230 N/A ILE 186.A N ALA 596.A O no hydrogen 2.905 N/A MET 188.A N TYR 594.A O no hydrogen 3.132 N/A VAL 192.A N VAL 590.A O no hydrogen 3.147 N/A ARG 195.A N LEU 588.A O no hydrogen 3.371 N/A LEU 197.A N GLY 586.A O no hydrogen 3.218 N/A ASP 198.A N GLN 208.A OE1 no hydrogen 2.838 N/A ARG 201.A N ASP 198.A O no hydrogen 3.004 N/A LEU 202.A N ASP 198.A O no hydrogen 2.562 N/A GLN 208.A NE2 THR 196.A O no hydrogen 3.099 N/A GLN 208.A NE2 GLU 210.A OE1 no hydrogen 3.414 N/A ILE 212.A N PHE 576.A O no hydrogen 3.062 N/A ALA 215.A N ASN 573.A OD1 no hydrogen 2.637 N/A GLN 220.A N LEU 217.A O no hydrogen 3.231 N/A GLN 220.A NE2 THR 224.A OG1 no hydrogen 3.385 N/A THR 224.A OG1 VAL 221.A O no hydrogen 2.604 N/A THR 228.A N THR 570.A O no hydrogen 2.793 N/A ARG 229.A N VAL 591.A O no hydrogen 3.104 N/A ILE 230.A N GLU 568.A O no hydrogen 2.818 N/A LEU 231.A N SER 589.A O no hydrogen 3.014 N/A LEU 232.A N ARG 566.A O no hydrogen 2.990 N/A GLN 233.A N THR 587.A O no hydrogen 3.063 N/A THR 235.A N GLN 585.A O no hydrogen 3.285 N/A THR 235.A OG1 THR 587.A OG1 no hydrogen 3.138 N/A THR 241.A OG1 MET 240.A O no hydrogen 2.579 N/A THR 241.A OG1 ASP 534.A OD1 no hydrogen 2.930 N/A GLU 242.A N TYR 528.A OH no hydrogen 2.987 N/A VAL 245.A N TYR 277.A OH no hydrogen 2.917 N/A LEU 250.A N ALA 247.A O no hydrogen 3.030 N/A VAL 255.A N LEU 253.A O no hydrogen 2.836 N/A GLN 263.A NE2 HIS 372.A NE2 no hydrogen 3.506 N/A ASN 264.A ND2 GLY 302.A O no hydrogen 3.164 N/A ASN 264.A ND2 GLN 306.A OE1 no hydrogen 3.352 N/A ILE 266.A N GLU 262.A O no hydrogen 3.061 N/A MET 268.A N MET 265.A O no hydrogen 3.084 N/A THR 269.A N MET 265.A O no hydrogen 2.818 N/A THR 269.A OG1 MET 265.A O no hydrogen 2.754 N/A THR 269.A OG1 TYR 327.A OH no hydrogen 2.750 N/A THR 271.A OG1 LEU 253.A O no hydrogen 3.089 N/A THR 271.A OG1 VAL 255.A O no hydrogen 2.799 N/A VAL 272.A N MET 268.A O no hydrogen 3.112 N/A ILE 273.A N THR 269.A O no hydrogen 3.166 N/A ALA 274.A N PRO 270.A O no hydrogen 2.990 N/A VAL 275.A N THR 271.A O no hydrogen 3.246 N/A HIS 276.A N VAL 272.A O no hydrogen 3.231 N/A TYR 277.A N ILE 273.A O no hydrogen 3.103 N/A TYR 277.A N ALA 274.A O no hydrogen 3.173 N/A LEU 278.A N ALA 274.A O no hydrogen 2.964 N/A ASP 279.A N VAL 275.A O no hydrogen 2.946 N/A THR 281.A OG1 TYR 277.A O no hydrogen 2.776 N/A GLN 283.A N LEU 278.A O no hydrogen 3.382 N/A GLN 283.A NE2 VAL 245.A O no hydrogen 3.125 N/A TRP 284.A NE1 ASP 279.A OD1 no hydrogen 2.742 N/A PHE 287.A N GLN 283.A O no hydrogen 3.094 N/A GLY 288.A N TRP 284.A O no hydrogen 2.803 N/A LYS 291.A N GLY 288.A O no hydrogen 3.053 N/A LYS 291.A NZ PHE 287.A O no hydrogen 3.521 N/A ARG 292.A N LEU 289.A O no hydrogen 3.209 N/A ARG 292.A NE ASP 279.A OD1 no hydrogen 3.376 N/A ARG 292.A NH2 ASP 279.A OD2 no hydrogen 3.418 N/A GLN 293.A NE2 GLU 297.A OE2 no hydrogen 3.436 N/A ALA 295.A N ARG 292.A O no hydrogen 2.842 N/A LEU 296.A N ARG 292.A O no hydrogen 2.964 N/A GLU 297.A N GLN 293.A O no hydrogen 3.401 N/A ILE 299.A N ALA 295.A O no hydrogen 2.949 N/A LYS 300.A N LEU 296.A O no hydrogen 2.965 N/A LYS 301.A N GLU 297.A O no hydrogen 2.884 N/A LYS 301.A NZ GLN 305.A OE1 no hydrogen 2.751 N/A GLY 302.A N LEU 298.A O no hydrogen 3.043 N/A TYR 303.A N ILE 299.A O no hydrogen 3.075 N/A THR 304.A N LYS 300.A O no hydrogen 3.125 N/A THR 304.A OG1 LYS 300.A O no hydrogen 3.081 N/A GLN 305.A N LYS 301.A O no hydrogen 3.125 N/A GLN 305.A NE2 PRO 257.A O no hydrogen 3.279 N/A GLN 306.A N GLY 302.A O no hydrogen 3.152 N/A GLN 306.A NE2 GLY 261.A O no hydrogen 3.517 N/A LEU 307.A N THR 304.A O no hydrogen 3.143 N/A PHE 309.A N GLN 306.A O no hydrogen 3.295 N/A ARG 310.A N LEU 307.A O no hydrogen 3.288 N/A GLN 311.A NE2 PHE 315.A O no hydrogen 3.430 N/A GLN 311.A NE2 ARG 318.A O no hydrogen 2.758 N/A ARG 318.A N PHE 315.A O no hydrogen 2.865 N/A ARG 318.A NH2 PRO 369.A O no hydrogen 2.877 N/A SER 321.A OG GLU 366.A OE2 no hydrogen 3.395 N/A SER 321.A OG ALA 368.A O no hydrogen 2.881 N/A THR 322.A N GLU 366.A OE1 no hydrogen 2.986 N/A THR 322.A OG1 GLN 365.A O no hydrogen 3.008 N/A THR 325.A N SER 321.A O no hydrogen 3.352 N/A THR 325.A OG1 SER 321.A O no hydrogen 2.785 N/A ALA 326.A N THR 322.A O no hydrogen 3.154 N/A TYR 327.A N TRP 323.A O no hydrogen 2.805 N/A TYR 327.A OH THR 269.A OG1 no hydrogen 2.750 N/A VAL 328.A N LEU 324.A O no hydrogen 2.953 N/A VAL 329.A N THR 325.A O no hydrogen 3.455 N/A LYS 330.A N ALA 326.A O no hydrogen 3.390 N/A VAL 331.A N TYR 327.A O no hydrogen 3.115 N/A PHE 332.A N VAL 328.A O no hydrogen 2.952 N/A SER 333.A N VAL 329.A O no hydrogen 2.916 N/A SER 333.A OG VAL 329.A O no hydrogen 2.755 N/A LEU 334.A N VAL 331.A O no hydrogen 3.150 N/A ALA 335.A N VAL 331.A O no hydrogen 2.976 N/A ALA 335.A N PHE 332.A O no hydrogen 3.065 N/A ILE 339.A N ALA 335.A O no hydrogen 3.496 N/A ASP 342.A N TYR 303.A OH no hydrogen 3.294 N/A GLN 344.A N ASP 342.A OD1 no hydrogen 3.154 N/A LEU 346.A N ASP 342.A O no hydrogen 3.100 N/A CYS 347.A N SER 343.A O no hydrogen 2.915 N/A CYS 347.A SG ILE 403.A O no hydrogen 3.792 N/A CYS 347.A SG GLN 407.A OE1 no hydrogen 3.169 N/A GLY 348.A N GLN 344.A O no hydrogen 3.045 N/A ALA 349.A N VAL 345.A O no hydrogen 3.335 N/A VAL 350.A N LEU 346.A O no hydrogen 3.402 N/A LYS 351.A N CYS 347.A O no hydrogen 2.923 N/A TRP 352.A N ALA 349.A O no hydrogen 3.185 N/A LEU 353.A N ALA 349.A O no hydrogen 3.112 N/A LEU 355.A N LYS 351.A O no hydrogen 3.344 N/A GLU 356.A N TRP 352.A O no hydrogen 2.931 N/A LYS 357.A NZ ASP 367.A OD2 no hydrogen 2.820 N/A GLN 358.A NE2 SER 414.A O no hydrogen 3.691 N/A GLN 358.A NE2 SER 414.A OG no hydrogen 2.862 N/A LYS 359.A N VAL 363.A O no hydrogen 2.780 N/A GLY 362.A N LYS 359.A O no hydrogen 2.797 N/A VAL 363.A N ASP 361.A OD1 no hydrogen 2.946 N/A PHE 364.A N THR 390.A OG1 no hydrogen 3.371 N/A ILE 371.A N GLU 262.A OE2 no hydrogen 3.320 N/A HIS 372.A N GLU 262.A OE1 no hydrogen 3.047 N/A HIS 372.A ND1 GLU 374.A OE2 no hydrogen 2.921 N/A GLN 373.A NE2 VAL 370.A O no hydrogen 2.937 N/A MET 375.A N HIS 372.A O no hydrogen 3.414 N/A GLY 378.A N GLU 477.A OE1 no hydrogen 3.287 N/A ARG 380.A N GLY 377.A O no hydrogen 3.196 N/A ASN 383.A N ASN 381.A OD1 no hydrogen 3.109 N/A ALA 388.A N GLU 384.A O no hydrogen 3.454 N/A THR 390.A OG1 ASP 386.A O no hydrogen 2.871 N/A ALA 391.A N MET 387.A O no hydrogen 2.928 N/A PHE 392.A N ALA 388.A O no hydrogen 2.899 N/A VAL 393.A N LEU 389.A O no hydrogen 2.958 N/A LEU 394.A N THR 390.A O no hydrogen 3.096 N/A ILE 395.A N ALA 391.A O no hydrogen 3.274 N/A SER 396.A N PHE 392.A O no hydrogen 3.454 N/A SER 396.A OG ALA 326.A O no hydrogen 2.893 N/A SER 396.A OG PHE 392.A O no hydrogen 3.532 N/A LEU 397.A N VAL 393.A O no hydrogen 3.174 N/A LEU 397.A N LEU 394.A O no hydrogen 3.184 N/A GLN 398.A N LEU 394.A O no hydrogen 3.175 N/A GLN 398.A NE2 LEU 394.A O no hydrogen 3.664 N/A GLN 398.A NE2 ALA 441.A O no hydrogen 2.881 N/A GLU 399.A N ILE 395.A O no hydrogen 3.180 N/A LYS 401.A N GLN 398.A O no hydrogen 3.289 N/A CYS 404.A N ALA 400.A O no hydrogen 3.072 N/A CYS 404.A N LYS 401.A O no hydrogen 2.892 N/A ASN 409.A ND2 GLU 405.A O no hydrogen 3.580 N/A SER 414.A N SER 410.A O no hydrogen 3.325 N/A SER 414.A OG GLN 358.A OE1 no hydrogen 2.863 N/A ILE 415.A N LEU 411.A O no hydrogen 2.829 N/A THR 416.A N PRO 412.A O no hydrogen 3.318 N/A THR 416.A OG1 PRO 412.A O no hydrogen 3.312 N/A LYS 417.A N GLY 413.A O no hydrogen 3.288 N/A LYS 417.A NZ PRO 360.A O no hydrogen 3.295 N/A ALA 418.A N SER 414.A O no hydrogen 3.047 N/A GLY 419.A N ILE 415.A O no hydrogen 3.274 N/A ASP 420.A N THR 416.A O no hydrogen 2.959 N/A ASP 420.A N LYS 417.A O no hydrogen 2.999 N/A PHE 421.A N LYS 417.A O no hydrogen 3.338 N/A LEU 422.A N ALA 418.A O no hydrogen 3.480 N/A GLU 423.A N GLY 419.A O no hydrogen 3.059 N/A ALA 424.A N ASP 420.A O no hydrogen 3.159 N/A ASN 425.A N PHE 421.A O no hydrogen 3.163 N/A TYR 426.A OH VAL 435.A O no hydrogen 2.965 N/A ARG 431.A NH1 ASN 381.A O no hydrogen 3.463 N/A ARG 431.A NH1 ASN 383.A O no hydrogen 2.796 N/A ARG 431.A NH2 GLY 378.A O no hydrogen 3.094 N/A SER 432.A N ASP 468.A OD1 no hydrogen 2.971 N/A SER 432.A OG GLU 467.A O no hydrogen 3.165 N/A SER 432.A OG ASP 468.A OD1 no hydrogen 2.988 N/A TYR 433.A N ASP 468.A OD2 no hydrogen 2.974 N/A TYR 433.A OH GLU 477.A OE2 no hydrogen 2.845 N/A THR 434.A OG1 GLU 384.A OE1 no hydrogen 3.462 N/A VAL 435.A N ARG 431.A O no hydrogen 3.199 N/A ALA 436.A N SER 432.A O no hydrogen 3.111 N/A ILE 437.A N TYR 433.A O no hydrogen 2.989 N/A ALA 438.A N THR 434.A O no hydrogen 3.078 N/A GLY 439.A N VAL 435.A O no hydrogen 2.958 N/A TYR 440.A N ALA 436.A O no hydrogen 3.233 N/A LEU 442.A N ALA 438.A O no hydrogen 3.269 N/A LEU 442.A N GLY 439.A O no hydrogen 3.335 N/A ALA 443.A N GLY 439.A O no hydrogen 2.880 N/A GLN 444.A NE2 TYR 440.A OH no hydrogen 2.900 N/A MET 445.A N LEU 442.A O no hydrogen 3.311 N/A GLY 446.A N ALA 443.A O no hydrogen 3.075 N/A ARG 447.A N LEU 442.A O no hydrogen 2.888 N/A ARG 447.A NH1 THR 416.A O no hydrogen 3.330 N/A ARG 447.A NH1 ASP 420.A OD1 no hydrogen 3.010 N/A ARG 447.A NH2 ASP 420.A OD1 no hydrogen 2.784 N/A LEU 453.A N LYS 449.A O no hydrogen 3.283 N/A LEU 453.A N GLY 450.A O no hydrogen 3.045 N/A ASN 454.A N GLY 450.A O no hydrogen 3.256 N/A LYS 455.A N PRO 451.A O no hydrogen 2.955 N/A LYS 455.A NZ LEU 429.A O no hydrogen 3.158 N/A PHE 456.A N LEU 452.A O no hydrogen 3.335 N/A THR 458.A N ASN 454.A O no hydrogen 2.999 N/A THR 458.A OG1 ASN 454.A O no hydrogen 3.047 N/A THR 458.A OG1 LYS 455.A O no hydrogen 3.027 N/A THR 459.A N LYS 455.A O no hydrogen 2.908 N/A THR 459.A OG1 LYS 455.A O no hydrogen 2.656 N/A LYS 461.A N ARG 465.A O no hydrogen 2.935 N/A ARG 465.A NE GLU 467.A OE2 no hydrogen 2.941 N/A ARG 465.A NH2 ASP 462.A OD2 no hydrogen 2.903 N/A TRP 466.A N THR 479.A OG1 no hydrogen 3.385 N/A TRP 466.A NE1 PHE 456.A O no hydrogen 3.037 N/A ASP 468.A N ASN 475.A OD1 no hydrogen 3.051 N/A ASN 475.A ND2 ASP 468.A O no hydrogen 3.534 N/A VAL 476.A N GLN 472.A O no hydrogen 2.975 N/A GLU 477.A N LEU 473.A O no hydrogen 3.243 N/A ALA 478.A N TYR 474.A O no hydrogen 2.957 N/A THR 479.A N ASN 475.A O no hydrogen 2.915 N/A THR 479.A OG1 ASN 475.A O no hydrogen 2.846 N/A SER 480.A N VAL 476.A O no hydrogen 3.094 N/A SER 480.A OG VAL 476.A O no hydrogen 2.788 N/A TYR 481.A N GLU 477.A O no hydrogen 3.131 N/A ALA 482.A N ALA 478.A O no hydrogen 3.086 N/A LEU 483.A N THR 479.A O no hydrogen 2.903 N/A LEU 484.A N SER 480.A O no hydrogen 3.130 N/A ALA 485.A N TYR 481.A O no hydrogen 3.102 N/A LEU 486.A N ALA 482.A O no hydrogen 3.118 N/A LEU 487.A N LEU 483.A O no hydrogen 2.994 N/A GLN 488.A N LEU 484.A O no hydrogen 2.957 N/A GLN 488.A N ALA 485.A O no hydrogen 3.159 N/A LEU 489.A N ALA 485.A O no hydrogen 3.030 N/A ASP 491.A N LEU 486.A O no hydrogen 2.952 N/A PHE 494.A N ASP 491.A O no hydrogen 3.250 N/A VAL 499.A N VAL 495.A O no hydrogen 2.951 N/A ARG 500.A N PRO 496.A O no hydrogen 3.084 N/A TRP 501.A N PRO 497.A O no hydrogen 3.364 N/A LEU 502.A N VAL 498.A O no hydrogen 3.317 N/A ASN 503.A N VAL 499.A O no hydrogen 3.140 N/A ASN 503.A ND2 ASP 243.A O no hydrogen 3.036 N/A GLU 504.A N ARG 500.A O no hydrogen 3.182 N/A GLN 505.A N LEU 502.A O no hydrogen 3.089 N/A ARG 506.A N ASN 503.A O no hydrogen 3.170 N/A TYR 507.A OH THR 518.A OG1 no hydrogen 3.363 N/A GLY 510.A N THR 518.A OG1 no hydrogen 3.142 N/A SER 514.A OG GLY 511.A O no hydrogen 2.637 N/A GLN 516.A NE2 MET 375.A O no hydrogen 3.287 N/A THR 518.A N SER 514.A O no hydrogen 3.149 N/A THR 518.A OG1 TYR 507.A OH no hydrogen 3.363 N/A THR 518.A OG1 SER 514.A O no hydrogen 2.773 N/A PHE 519.A N THR 515.A O no hydrogen 3.210 N/A MET 520.A N GLN 516.A O no hydrogen 3.108 N/A PHE 522.A N THR 518.A O no hydrogen 3.339 N/A GLN 523.A NE2 GLU 399.A OE2 no hydrogen 3.222 N/A ALA 524.A N MET 520.A O no hydrogen 3.092 N/A ALA 526.A N PHE 522.A O no hydrogen 3.117 N/A GLN 527.A N GLN 523.A O no hydrogen 3.107 N/A TYR 528.A N ALA 524.A O no hydrogen 2.841 N/A GLN 529.A N ALA 526.A O no hydrogen 2.997 N/A LYS 530.A N ALA 526.A O no hydrogen 3.372 N/A ASP 531.A N GLN 527.A O no hydrogen 2.992 N/A ASN 539.A N GLU 537.A O no hydrogen 2.964 N/A ASP 541.A N GLU 581.A O no hydrogen 2.730 N/A VAL 542.A N HIS 555.A O no hydrogen 3.234 N/A SER 543.A N THR 579.A O no hydrogen 2.841 N/A SER 543.A OG THR 579.A O no hydrogen 3.148 N/A LEU 544.A N ILE 553.A O no hydrogen 3.347 N/A GLN 545.A N THR 577.A O no hydrogen 3.455 N/A ARG 549.A N LEU 546.A O no hydrogen 2.660 N/A SER 550.A OG SER 548.A O no hydrogen 3.051 N/A THR 554.A OG1 ILE 553.A O no hydrogen 2.696 N/A HIS 555.A N VAL 542.A O no hydrogen 3.097 N/A ILE 557.A N LEU 540.A O no hydrogen 2.978 N/A SER 563.A OG SER 561.A O no hydrogen 2.891 N/A LEU 564.A N SER 561.A O no hydrogen 2.996 N/A SER 567.A OG GLU 569.A OE2 no hydrogen 3.219 N/A GLU 568.A N ILE 230.A O no hydrogen 3.143 N/A THR 570.A N THR 228.A O no hydrogen 2.984 N/A THR 570.A OG1 GLU 572.A O no hydrogen 3.322 N/A VAL 578.A N GLU 210.A O no hydrogen 3.004 N/A THR 579.A N SER 543.A O no hydrogen 3.130 N/A ALA 580.A N GLN 208.A O no hydrogen 2.966 N/A GLY 586.A N LEU 197.A O no hydrogen 3.024 N/A THR 587.A N GLN 233.A O no hydrogen 2.763 N/A THR 587.A OG1 THR 235.A OG1 no hydrogen 3.138 N/A LEU 588.A N ARG 195.A O no hydrogen 3.170 N/A SER 589.A N LEU 231.A O no hydrogen 3.111 N/A VAL 590.A N ALA 193.A O no hydrogen 3.252 N/A VAL 591.A N ARG 229.A O no hydrogen 3.156 N/A THR 592.A N LYS 190.A O no hydrogen 3.245 N/A THR 592.A OG1 LYS 190.A O no hydrogen 3.027 N/A MET 593.A N GLU 227.A O no hydrogen 3.198 N/A TYR 594.A N MET 188.A O no hydrogen 3.064 N/A ALA 596.A N ILE 186.A O no hydrogen 2.702 N/A ASP 600.A N ALA 598.A O no hydrogen 2.501 N/A LYS 606.A NZ GLU 727.A OE1 no hydrogen 2.901 N/A ASP 608.A N ARG 631.A O no hydrogen 2.923 N/A LYS 610.A N CYS 629.A O no hydrogen 3.051 N/A THR 612.A N GLU 627.A O no hydrogen 3.120 N/A LYS 614.A N ILE 625.A O no hydrogen 3.176 N/A THR 623.A OG1 VAL 703.A O no hydrogen 3.439 N/A MET 624.A N VAL 703.A O no hydrogen 2.829 N/A ILE 625.A N LYS 614.A O no hydrogen 2.721 N/A LEU 626.A N PHE 701.A O no hydrogen 3.115 N/A GLU 627.A N THR 612.A O no hydrogen 3.105 N/A ILE 628.A N LEU 699.A O no hydrogen 2.835 N/A CYS 629.A N LYS 610.A O no hydrogen 3.277 N/A THR 630.A N ASP 697.A O no hydrogen 3.457 N/A THR 630.A OG1 ASP 608.A O no hydrogen 2.913 N/A ARG 631.A N ASP 608.A O no hydrogen 3.196 N/A ARG 631.A NH1 HIS 693.A O no hydrogen 2.868 N/A ARG 631.A NH2 ASP 608.A OD2 no hydrogen 2.968 N/A TYR 632.A N SER 692.A O no hydrogen 3.023 N/A ARG 633.A N LYS 606.A O no hydrogen 3.363 N/A ARG 633.A NE ASP 608.A OD1 no hydrogen 2.743 N/A SER 641.A N LEU 688.A O no hydrogen 2.891 N/A ILE 642.A N TYR 720.A O no hydrogen 3.093 N/A LEU 643.A N ILE 686.A O no hydrogen 2.938 N/A ASP 644.A N LYS 718.A O no hydrogen 2.970 N/A ILE 645.A N LEU 684.A O no hydrogen 2.797 N/A SER 646.A N ALA 716.A O no hydrogen 2.808 N/A SER 646.A OG GLU 96.A OE2 no hydrogen 3.355 N/A SER 646.A OG ALA 716.A O no hydrogen 2.959 N/A MET 647.A N ASN 682.A O no hydrogen 2.845 N/A ALA 652.A N HIS 704.A O no hydrogen 3.162 N/A ASP 654.A N LYS 702.A O no hydrogen 2.762 N/A THR 655.A OG1 ASP 656.A OD1 no hydrogen 3.397 N/A LEU 658.A N ASP 654.A O no hydrogen 3.162 N/A LYS 659.A N THR 655.A O no hydrogen 3.199 N/A GLN 660.A N ASP 656.A O no hydrogen 3.288 N/A LEU 661.A N ASP 657.A O no hydrogen 3.178 N/A ALA 662.A N LEU 658.A O no hydrogen 2.892 N/A ASN 663.A N LYS 659.A O no hydrogen 2.979 N/A GLY 664.A N GLN 660.A O no hydrogen 3.326 N/A TYR 668.A N TYR 687.A O no hydrogen 2.915 N/A GLU 673.A N SER 670.A O no hydrogen 2.850 N/A LEU 674.A N SER 670.A O no hydrogen 3.322 N/A LEU 674.A N LYS 671.A O no hydrogen 3.100 N/A LYS 676.A N LEU 674.A O no hydrogen 2.722 N/A ARG 681.A NE GLU 673.A O no hydrogen 3.355 N/A ARG 681.A NH2 LEU 674.A O no hydrogen 2.981 N/A ASN 682.A ND2 SER 145.A O no hydrogen 2.847 N/A LEU 684.A N ILE 645.A O no hydrogen 2.872 N/A ILE 686.A N LEU 643.A O no hydrogen 2.913 N/A TYR 687.A N TYR 668.A O no hydrogen 2.996 N/A LEU 688.A N SER 641.A O no hydrogen 2.993 N/A ASP 689.A N ASP 666.A O no hydrogen 2.905 N/A VAL 691.A N ALA 638.A O no hydrogen 3.351 N/A SER 692.A N ASP 697.A OD2 no hydrogen 2.988 N/A SER 692.A OG GLU 695.A OE2 no hydrogen 2.905 N/A SER 694.A N SER 692.A OG no hydrogen 3.253 N/A ASP 697.A N THR 630.A O no hydrogen 3.052 N/A CYS 698.A SG ASP 696.A O no hydrogen 4.014 N/A LEU 699.A N ILE 628.A O no hydrogen 2.961 N/A PHE 701.A N LEU 626.A O no hydrogen 3.197 N/A LYS 702.A N ASP 657.A OD2 no hydrogen 2.826 N/A VAL 703.A N MET 624.A O no hydrogen 2.980 N/A HIS 704.A N ALA 652.A O no hydrogen 3.249 N/A TYR 706.A N GLY 650.A O no hydrogen 3.301 N/A GLY 715.A N TYR 733.A O no hydrogen 3.150 N/A ALA 716.A N SER 646.A O no hydrogen 3.201 N/A VAL 717.A N ARG 731.A O no hydrogen 2.815 N/A LYS 718.A N ASP 644.A O no hydrogen 2.789 N/A VAL 719.A N CYS 729.A O no hydrogen 3.050 N/A GLU 726.A N GLU 726.A OE1 no hydrogen 2.705 N/A SER 728.A N GLU 726.A O no hydrogen 2.797 N/A SER 728.A OG LEU 725.A O no hydrogen 3.167 N/A CYS 729.A N VAL 719.A O no hydrogen 3.159 N/A ARG 731.A N VAL 717.A O no hydrogen 3.053 N/A TYR 733.A N GLY 715.A O no hydrogen 3.416 N/A TYR 733.A OH SER 646.A O no hydrogen 2.951 N/A GLU 736.A N HIS 734.A ND1 no hydrogen 2.869 N/A LYS 737.A N HIS 734.A ND1 no hydrogen 3.117 N/A LYS 737.A NZ GLU 755.A OE2 no hydrogen 3.018 N/A LEU 742.A N GLN 94.A OE1 no hydrogen 2.907 N/A ASN 743.A N GLU 755.A OE2 no hydrogen 2.809 N/A ARG 747.A N LEU 750.A O no hydrogen 3.029 N/A LEU 750.A N ARG 747.A O no hydrogen 2.891 N/A CYS 751.A SG ASN 92.A OD1 no hydrogen 3.838 N/A ARG 752.A N LEU 745.A O no hydrogen 2.917 N/A ARG 752.A NH1 GLU 756.A OE2 no hydrogen 3.244 N/A GLU 756.A N ALA 754.A O no hydrogen 2.660 N/A THR 766.A OG1 GLU 768.A OE1 no hydrogen 3.322 N/A GLU 769.A N THR 766.A OG1 no hydrogen 3.275 N/A LEU 771.A N LEU 767.A O no hydrogen 3.437 N/A ASP 772.A N GLU 768.A O no hydrogen 3.354 N/A CYS 775.A N ASP 772.A O no hydrogen 3.422 N/A CYS 775.A SG LEU 771.A O no hydrogen 3.080 N/A VAL 779.A N GLU 776.A O no hydrogen 3.275 N/A ASP 780.A N GLY 844.A O no hydrogen 3.163 N/A VAL 782.A N LYS 808.A O no hydrogen 3.305 N/A TYR 783.A N MET 842.A O no hydrogen 3.218 N/A TYR 783.A OH TYR 858.A OH no hydrogen 3.229 N/A LYS 784.A N GLN 805.A O no hydrogen 3.371 N/A THR 785.A N TYR 840.A O no hydrogen 3.141 N/A ARG 786.A N ALA 802.A O no hydrogen 2.873 N/A ARG 786.A NH1 GLU 804.A OE2 no hydrogen 2.863 N/A LEU 787.A N LYS 838.A O no hydrogen 3.189 N/A VAL 788.A N ILE 800.A O no hydrogen 2.968 N/A LYS 789.A N ILE 800.A O no hydrogen 3.326 N/A SER 793.A N PHE 796.A O no hydrogen 3.135 N/A ASP 797.A N SER 824.A O no hydrogen 2.920 N/A GLU 798.A N GLN 791.A O no hydrogen 3.243 N/A TYR 799.A N PHE 822.A O no hydrogen 2.839 N/A TYR 799.A OH ASP 797.A OD2 no hydrogen 3.074 N/A ILE 800.A N LYS 789.A O no hydrogen 3.015 N/A ALA 802.A N ARG 786.A O no hydrogen 2.982 N/A ILE 803.A N GLN 818.A O no hydrogen 3.259 N/A GLU 804.A N LYS 784.A O no hydrogen 3.067 N/A LYS 808.A N VAL 782.A O no hydrogen 3.156 N/A LYS 808.A NZ ALA 774.A O no hydrogen 2.778 N/A SER 811.A N ASP 780.A OD2 no hydrogen 3.252 N/A SER 811.A OG ASP 780.A OD2 no hydrogen 3.399 N/A GLY 817.A N ILE 803.A O no hydrogen 2.903 N/A GLN 818.A N GLN 815.A O no hydrogen 3.440 N/A ARG 820.A N MET 801.A O no hydrogen 3.091 N/A ARG 820.A NH1 GLN 818.A OE1 no hydrogen 3.138 N/A PHE 822.A N TYR 799.A O no hydrogen 3.025 N/A ILE 823.A N TYR 858.A O no hydrogen 2.902 N/A SER 824.A N ASP 797.A O no hydrogen 3.180 N/A CYS 828.A N PRO 825.A O no hydrogen 3.312 N/A ALA 831.A N CYS 828.A O no hydrogen 3.200 N/A LYS 837.A N LEU 787.A O no hydrogen 2.742 N/A HIS 839.A NE2 GLU 871.A OE2 no hydrogen 3.263 N/A TYR 840.A N THR 785.A O no hydrogen 2.966 N/A LEU 841.A N GLU 867.A O no hydrogen 3.031 N/A MET 842.A N TYR 783.A O no hydrogen 3.287 N/A SER 847.A OG ASP 848.A OD1 no hydrogen 3.495 N/A ASP 848.A N LEU 845.A O no hydrogen 3.293 N/A PHE 849.A N SER 846.A O no hydrogen 3.412 N/A LEU 856.A N PRO 854.A O no hydrogen 2.923 N/A TYR 858.A N THR 821.A O no hydrogen 2.791 N/A TYR 858.A OH TYR 783.A OH no hydrogen 3.229 N/A TYR 858.A OH ASP 812.A OD2 no hydrogen 2.944 N/A ILE 860.A N ILE 823.A O no hydrogen 2.883 N/A GLY 861.A N THR 864.A OG1 no hydrogen 2.861 N/A THR 864.A N GLY 861.A O no hydrogen 2.849 N/A THR 864.A OG1 ASP 848.A OD2 no hydrogen 3.443 N/A THR 864.A OG1 ILE 859.A O no hydrogen 3.134 N/A TRP 865.A N TRP 843.A O no hydrogen 2.921 N/A TRP 865.A NE1 GLU 867.A OE1 no hydrogen 3.203 N/A GLU 867.A N LEU 841.A O no hydrogen 3.214 N/A TRP 869.A N HIS 839.A O no hydrogen 2.873 N/A GLU 871.A N GLU 874.A OE2 no hydrogen 3.330 N/A GLU 874.A N GLU 871.A O no hydrogen 3.347 N/A CYS 875.A SG GLU 871.A O no hydrogen 3.585 N/A GLN 876.A NE2 GLU 872.A O no hydrogen 3.446 N/A ASP 877.A N GLU 874.A O no hydrogen 3.153 N/A ASN 880.A N ASP 877.A O no hydrogen 3.163 N/A GLN 881.A NE2 GLN 876.A O no hydrogen 3.455 N/A LYS 882.A NZ ASP 886.A OD2 no hydrogen 2.967 N/A GLN 883.A N ASN 880.A O no hydrogen 3.328 N/A GLN 883.A NE2 GLU 867.A OE2 no hydrogen 2.881 N/A CYS 884.A N ASN 880.A O no hydrogen 3.081 N/A CYS 884.A SG ASN 880.A O no hydrogen 3.131 N/A GLN 885.A N GLN 881.A O no hydrogen 3.076 N/A LEU 887.A N GLN 883.A O no hydrogen 2.946 N/A GLY 888.A N CYS 884.A O no hydrogen 3.024 N/A ALA 889.A N GLN 885.A O no hydrogen 2.979 N/A PHE 890.A N ASP 886.A O no hydrogen 2.839 N/A THR 891.A N LEU 887.A O no hydrogen 3.036 N/A THR 891.A OG1 LEU 887.A O no hydrogen 2.856 N/A GLU 892.A N GLY 888.A O no hydrogen 3.476 N/A SER 893.A N ALA 889.A O no hydrogen 2.986 N/A MET 894.A N THR 891.A O no hydrogen 3.085 N/A VAL 895.A N THR 891.A O no hydrogen 3.082 N/A GLY 898.A N SER 893.A O no hydrogen 3.368 N/A CYS 899.A SG ALA 774.A O no hydrogen 3.684 N/A