Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xgj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N HIS 7.A O no hydrogen 2.805 N/A TRP 4.A N PHE 88.A O no hydrogen 3.277 N/A ILE 6.A N LEU 3.A O no hydrogen 2.694 N/A VAL 15.A N LEU 27.A O no hydrogen 3.119 N/A GLU 16.A N PRO 90.A O no hydrogen 3.336 N/A CYS 17.A N VAL 25.A O no hydrogen 2.907 N/A CYS 17.A SG VAL 15.A O no hydrogen 3.941 N/A LEU 18.A N LEU 92.A O no hydrogen 2.777 N/A LEU 19.A N MET 23.A O no hydrogen 3.245 N/A ASN 21.A ND2 LEU 51.A O no hydrogen 2.829 N/A GLY 22.A N LEU 19.A O no hydrogen 3.294 N/A MET 23.A N ASN 21.A OD1 no hydrogen 2.942 N/A VAL 25.A N CYS 17.A O no hydrogen 2.845 N/A THR 26.A OG1 GLU 16.A OE1 no hydrogen 2.791 N/A THR 26.A OG1 GLU 16.A OE2 no hydrogen 3.391 N/A LEU 27.A N VAL 15.A O no hydrogen 2.979 N/A CYS 29.A SG ILE 13.A O no hydrogen 3.883 N/A ARG 31.A NH2 GLU 32.A OE1 no hydrogen 3.164 N/A ARG 31.A NH2 GLU 32.A OE2 no hydrogen 3.447 N/A ALA 33.A N LEU 30.A O no hydrogen 3.366 N/A THR 34.A OG1 THR 37.A OG1 no hydrogen 3.024 N/A LEU 35.A N GLU 78.A O no hydrogen 3.127 N/A LEU 35.A N ARG 80.A O no hydrogen 3.357 N/A ILE 36.A N GLU 78.A O no hydrogen 3.401 N/A THR 37.A OG1 THR 34.A OG1 no hydrogen 3.024 N/A ILE 38.A N THR 34.A O no hydrogen 3.131 N/A LYS 39.A N LEU 35.A O no hydrogen 2.755 N/A LYS 39.A NZ GLU 58.A O no hydrogen 3.131 N/A LYS 39.A NZ TYR 61.A O no hydrogen 2.907 N/A LYS 39.A NZ GLU 78.A OE1 no hydrogen 2.770 N/A LYS 39.A NZ GLU 78.A OE2 no hydrogen 3.124 N/A HIS 40.A N ILE 36.A O no hydrogen 3.229 N/A GLU 41.A N THR 37.A O no hydrogen 3.081 N/A LEU 42.A N ILE 38.A O no hydrogen 2.823 N/A PHE 43.A N LYS 39.A O no hydrogen 3.417 N/A GLU 45.A N GLU 41.A O no hydrogen 3.276 N/A ALA 46.A N LEU 42.A O no hydrogen 2.742 N/A LYS 48.A N GLU 45.A O no hydrogen 3.292 N/A GLN 56.A N TYR 61.A OH no hydrogen 3.075 N/A SER 59.A OG ASP 57.A OD2 no hydrogen 2.714 N/A SER 60.A N ASP 57.A O no hydrogen 3.139 N/A SER 60.A OG GLN 56.A OE1 no hydrogen 3.099 N/A TYR 61.A N GLU 58.A O no hydrogen 3.412 N/A ILE 62.A N ILE 95.A O no hydrogen 2.919 N/A VAL 64.A N LYS 93.A O no hydrogen 2.758 N/A SER 65.A N GLU 73.A O no hydrogen 3.362 N/A SER 65.A OG PHE 91.A O no hydrogen 2.801 N/A THR 67.A N GLU 71.A O no hydrogen 3.147 N/A THR 67.A OG1 GLU 71.A O no hydrogen 3.283 N/A GLN 68.A N ARG 86.A O no hydrogen 3.095 N/A ALA 70.A N THR 67.A O no hydrogen 3.133 N/A GLU 73.A N SER 65.A O no hydrogen 3.100 N/A GLU 73.A N GLU 71.A O no hydrogen 2.974 N/A PHE 75.A N PHE 63.A O no hydrogen 3.054 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 2.661 N/A THR 79.A OG1 ASP 77.A OD2 no hydrogen 3.471 N/A ARG 80.A N ASP 77.A O no hydrogen 3.433 N/A ARG 80.A NH1 GLU 73.A OE2 no hydrogen 3.428 N/A ARG 80.A NH2 ASP 84.A O no hydrogen 3.448 N/A ARG 81.A NE GLU 32.A O no hydrogen 2.996 N/A ARG 81.A NH2 GLU 32.A O no hydrogen 3.314 N/A LEU 82.A N ALA 33.A O no hydrogen 3.251 N/A CYS 83.A SG ASP 84.A OD1 no hydrogen 3.877 N/A CYS 83.A SG ASP 675.A OD2 no hydrogen 3.306 N/A ASP 84.A N ARG 81.A O no hydrogen 2.871 N/A LEU 85.A N LEU 82.A O no hydrogen 3.458 N/A PHE 88.A N VAL 66.A O no hydrogen 2.939 N/A LEU 92.A N GLU 16.A O no hydrogen 3.040 N/A LYS 93.A N VAL 64.A O no hydrogen 2.722 N/A VAL 94.A N LEU 18.A O no hydrogen 3.090 N/A ILE 95.A N ILE 62.A O no hydrogen 3.163 N/A LYS 104.A N ASN 100.A O no hydrogen 3.241 N/A LYS 104.A NZ VAL 98.A O no hydrogen 2.778 N/A ILE 105.A N ARG 101.A O no hydrogen 3.400 N/A ASN 107.A N GLU 103.A O no hydrogen 2.854 N/A ARG 108.A N LYS 104.A O no hydrogen 3.316 N/A GLU 109.A N ILE 105.A O no hydrogen 2.936 N/A ILE 110.A N LEU 106.A O no hydrogen 2.897 N/A GLY 111.A N ASN 107.A O no hydrogen 2.931 N/A PHE 112.A N ARG 108.A O no hydrogen 2.865 N/A ALA 113.A N GLU 109.A O no hydrogen 3.113 N/A ILE 114.A N ILE 110.A O no hydrogen 2.933 N/A GLY 115.A N GLY 111.A O no hydrogen 3.248 N/A PHE 121.A N VAL 118.A O no hydrogen 3.056 N/A ASP 122.A N VAL 118.A O no hydrogen 3.416 N/A VAL 124.A N PHE 121.A O no hydrogen 3.280 N/A VAL 129.A N ASP 126.A O no hydrogen 3.277 N/A GLN 130.A NE2 PHE 121.A O no hydrogen 2.818 N/A GLN 130.A NE2 VAL 124.A O no hydrogen 3.148 N/A ASP 131.A N PRO 127.A O no hydrogen 2.987 N/A PHE 132.A N GLU 128.A O no hydrogen 3.088 N/A ARG 133.A N VAL 129.A O no hydrogen 3.132 N/A ARG 133.A NH1 ASP 122.A OD1 no hydrogen 2.916 N/A ARG 133.A NH2 ASP 122.A OD1 no hydrogen 3.535 N/A ARG 134.A N GLN 130.A O no hydrogen 3.266 N/A ASN 135.A N ASP 131.A O no hydrogen 2.797 N/A ILE 136.A N PHE 132.A O no hydrogen 2.756 N/A ASN 138.A N ASN 135.A O no hydrogen 3.085 N/A VAL 139.A N ILE 136.A O no hydrogen 3.046 N/A CYS 140.A N ILE 136.A O no hydrogen 3.191 N/A CYS 140.A SG ILE 136.A O no hydrogen 3.507 N/A CYS 140.A SG SER 622.A O no hydrogen 3.424 N/A LYS 141.A N LEU 137.A O no hydrogen 2.886 N/A GLU 142.A N ASN 138.A O no hydrogen 2.993 N/A ALA 143.A N VAL 139.A O no hydrogen 2.777 N/A VAL 144.A N CYS 140.A O no hydrogen 3.076 N/A LEU 146.A N ALA 143.A O no hydrogen 3.134 N/A ARG 147.A N ALA 143.A O no hydrogen 3.393 N/A ARG 147.A NH1 LEU 590.A O no hydrogen 2.746 N/A ARG 147.A NH2 ALA 626.A O no hydrogen 2.740 N/A ASP 148.A N VAL 144.A O no hydrogen 3.131 N/A LEU 149.A N LEU 146.A O no hydrogen 3.297 N/A SER 154.A N ASN 150.A O no hydrogen 3.022 N/A SER 154.A OG ARG 147.A O no hydrogen 2.662 N/A ALA 156.A N PRO 152.A O no hydrogen 3.256 N/A MET 157.A N HIS 153.A O no hydrogen 2.886 N/A TYR 158.A N SER 154.A O no hydrogen 3.277 N/A TYR 158.A OH CYS 627.A O no hydrogen 2.798 N/A VAL 159.A N ARG 155.A O no hydrogen 3.374 N/A TYR 160.A N ALA 156.A O no hydrogen 2.899 N/A GLU 165.A N GLN 242.A O no hydrogen 2.747 N/A SER 166.A OG THR 556.A OG1 no hydrogen 2.916 N/A SER 166.A OG ASP 558.A OD2 no hydrogen 2.987 N/A HIS 173.A NE2 GLN 757.A OE1 no hydrogen 2.728 N/A TYR 175.A N PRO 171.A O no hydrogen 3.055 N/A ASN 176.A N LYS 172.A O no hydrogen 2.720 N/A LYS 177.A NZ ASP 762.A OD2 no hydrogen 3.082 N/A LEU 178.A N TYR 175.A O no hydrogen 3.175 N/A ASP 179.A N GLN 182.A O no hydrogen 3.037 N/A GLN 182.A NE2 ASN 205.A OD1 no hydrogen 3.339 N/A ILE 183.A N ILE 204.A O no hydrogen 2.978 N/A VAL 185.A N LEU 202.A O no hydrogen 3.051 N/A VAL 186.A N PRO 256.A O no hydrogen 3.055 N/A ILE 187.A N TYR 200.A O no hydrogen 3.070 N/A TRP 188.A N LEU 258.A O no hydrogen 2.769 N/A TRP 188.A NE1 ASN 257.A OD1 no hydrogen 2.756 N/A VAL 189.A N GLN 198.A O no hydrogen 3.427 N/A ASN 195.A ND2 PRO 193.A O no hydrogen 3.176 N/A LYS 197.A NZ ILE 720.A O no hydrogen 3.006 N/A LYS 197.A NZ GLU 723.A OE2 no hydrogen 2.843 N/A TYR 200.A N ILE 187.A O no hydrogen 3.004 N/A LEU 202.A N VAL 185.A O no hydrogen 2.723 N/A ILE 204.A N ILE 183.A O no hydrogen 3.367 N/A HIS 206.A ND1 SER 241.A OG no hydrogen 3.317 N/A CYS 208.A SG ASN 205.A O no hydrogen 3.230 N/A VAL 213.A N VAL 209.A O no hydrogen 2.980 N/A ILE 214.A N PRO 210.A O no hydrogen 3.247 N/A ALA 215.A N GLU 211.A O no hydrogen 3.198 N/A GLU 216.A N GLN 212.A O no hydrogen 3.394 N/A ALA 217.A N VAL 213.A O no hydrogen 3.354 N/A ILE 218.A N ILE 214.A O no hydrogen 3.221 N/A ARG 219.A NE GLU 216.A OE2 no hydrogen 3.045 N/A LYS 220.A NZ THR 201.A O no hydrogen 3.047 N/A ILE 224.A N MET 261.A O no hydrogen 2.809 N/A LYS 226.A N MET 259.A O no hydrogen 2.987 N/A LYS 226.A NZ VAL 227.A O no hydrogen 3.213 N/A LYS 226.A NZ CYS 230.A O no hydrogen 2.734 N/A LYS 226.A NZ ASP 719.A OD1 no hydrogen 3.009 N/A VAL 227.A N GLU 232.A O no hydrogen 2.850 N/A CYS 228.A N ASN 257.A O no hydrogen 3.204 N/A CYS 228.A SG ASN 257.A O no hydrogen 3.292 N/A GLY 229.A N ASP 719.A OD2 no hydrogen 2.951 N/A ASP 231.A N ALA 690.A O no hydrogen 3.056 N/A PHE 234.A N LEU 225.A O no hydrogen 3.085 N/A LYS 237.A N GLU 236.A OE1 no hydrogen 3.194 N/A LEU 240.A N CYS 208.A O no hydrogen 2.645 N/A SER 241.A N HIS 206.A O no hydrogen 2.814 N/A SER 241.A OG HIS 206.A ND1 no hydrogen 3.317 N/A SER 241.A OG HIS 206.A O no hydrogen 3.480 N/A GLN 242.A N PRO 239.A O no hydrogen 3.026 N/A GLN 242.A NE2 GLU 165.A O no hydrogen 2.954 N/A TYR 243.A OH GLU 236.A O no hydrogen 2.733 N/A LYS 244.A N ASN 163.A O no hydrogen 3.142 N/A LYS 244.A NZ ASP 558.A OD1 no hydrogen 2.774 N/A TYR 245.A OH ASN 257.A O no hydrogen 3.378 N/A ARG 247.A N TYR 243.A O no hydrogen 2.971 N/A ARG 247.A NE SER 241.A O no hydrogen 2.936 N/A ARG 247.A NH2 SER 167.A O no hydrogen 3.336 N/A SER 248.A N LYS 244.A O no hydrogen 2.888 N/A CYS 249.A N TYR 245.A O no hydrogen 3.126 N/A CYS 249.A SG TYR 245.A O no hydrogen 3.188 N/A ILE 250.A N ILE 246.A O no hydrogen 3.206 N/A MET 251.A N ARG 247.A O no hydrogen 3.342 N/A LEU 252.A N SER 248.A O no hydrogen 2.834 N/A GLY 253.A N CYS 249.A O no hydrogen 2.840 N/A ARG 254.A N CYS 249.A O no hydrogen 3.063 N/A ASN 257.A N TYR 245.A OH no hydrogen 2.936 N/A ASN 257.A ND2 MET 255.A O no hydrogen 2.721 N/A LEU 258.A N VAL 186.A O no hydrogen 2.984 N/A MET 259.A N LYS 226.A O no hydrogen 2.743 N/A LEU 260.A N TRP 188.A O no hydrogen 2.776 N/A MET 261.A N ILE 224.A O no hydrogen 3.050 N/A TYR 267.A N LYS 263.A O no hydrogen 3.287 N/A SER 268.A N GLU 264.A O no hydrogen 3.295 N/A SER 268.A OG GLU 264.A O no hydrogen 3.056 N/A SER 268.A OG SER 265.A O no hydrogen 2.773 N/A GLN 269.A N LEU 266.A O no hydrogen 3.021 N/A LYS 277.A N VAL 432.A O no hydrogen 3.205 N/A LEU 279.A N LYS 434.A O no hydrogen 2.842 N/A VAL 281.A N SER 278.A O no hydrogen 3.330 N/A ILE 282.A N LEU 279.A O no hydrogen 3.260 N/A SER 284.A OG ALA 285.A O no hydrogen 3.210 N/A LEU 286.A N ILE 343.A O no hydrogen 3.252 N/A ARG 287.A NE ASP 427.A OD1 no hydrogen 3.419 N/A ARG 287.A NE ASP 427.A OD2 no hydrogen 3.381 N/A ARG 287.A NH2 ASP 427.A OD1 no hydrogen 3.471 N/A ILE 288.A N LEU 339.A O no hydrogen 3.315 N/A LYS 289.A N GLU 425.A O no hydrogen 2.941 N/A ILE 290.A N GLU 337.A O no hydrogen 3.355 N/A LEU 291.A N GLU 423.A O no hydrogen 2.945 N/A CYS 292.A N GLU 423.A O no hydrogen 3.353 N/A THR 294.A N CYS 421.A O no hydrogen 3.230 N/A ILE 303.A N ASN 299.A O no hydrogen 3.483 N/A ASP 304.A N VAL 361.A O no hydrogen 3.173 N/A ILE 306.A N VAL 328.A O no hydrogen 2.974 N/A TYR 307.A N CYS 359.A O no hydrogen 3.081 N/A TYR 307.A OH HIS 368.A ND1 no hydrogen 2.684 N/A VAL 308.A N THR 325.A OG1 no hydrogen 2.758 N/A ARG 309.A NH1 ASN 324.A OD1 no hydrogen 3.004 N/A THR 310.A OG1 ARG 309.A O no hydrogen 3.422 N/A GLY 311.A N CYS 355.A O no hydrogen 2.929 N/A TYR 313.A N ARG 353.A O no hydrogen 2.826 N/A TYR 313.A OH ASN 322.A OD1 no hydrogen 3.416 N/A HIS 314.A N GLU 317.A O no hydrogen 2.772 N/A LEU 319.A N ILE 312.A O no hydrogen 2.831 N/A CYS 320.A SG ASP 321.A O no hydrogen 3.788 N/A VAL 323.A N THR 310.A O no hydrogen 2.895 N/A THR 325.A N VAL 308.A O no hydrogen 3.241 N/A THR 325.A OG1 VAL 308.A O no hydrogen 3.447 N/A GLN 326.A N GLU 337.A OE1 no hydrogen 2.703 N/A ARG 327.A NH1 GLU 366.A OE1 no hydrogen 2.941 N/A ARG 327.A NH2 GLU 366.A OE1 no hydrogen 3.028 N/A VAL 328.A N ILE 306.A O no hydrogen 3.068 N/A CYS 330.A SG ILE 303.A O no hydrogen 3.899 N/A TRP 335.A N LEU 291.A O no hydrogen 2.982 N/A TRP 335.A NE1 GLN 326.A O no hydrogen 2.815 N/A ASN 336.A N LEU 291.A O no hydrogen 3.035 N/A LEU 339.A N ILE 288.A O no hydrogen 3.257 N/A TYR 341.A N LEU 286.A O no hydrogen 3.296 N/A ASP 342.A N ASP 342.A OD1 no hydrogen 2.738 N/A ILE 343.A N TYR 341.A O no hydrogen 2.922 N/A TYR 344.A OH ASN 283.A OD1 no hydrogen 2.706 N/A ILE 345.A N SER 284.A O no hydrogen 3.190 N/A LEU 348.A N ILE 345.A O no hydrogen 3.290 N/A ARG 350.A NE ASP 383.A OD1 no hydrogen 2.847 N/A ARG 350.A NH1 ARG 350.A O no hydrogen 2.701 N/A ARG 350.A NH1 TYR 576.A OH no hydrogen 2.617 N/A ARG 350.A NH2 ASP 380.A O no hydrogen 3.204 N/A ARG 350.A NH2 ASP 383.A OD1 no hydrogen 2.744 N/A ALA 352.A N PRO 349.A O no hydrogen 3.284 N/A ARG 353.A N TYR 313.A O no hydrogen 2.865 N/A ARG 353.A NH1 PRO 407.A O no hydrogen 3.359 N/A ARG 353.A NH2 PRO 407.A O no hydrogen 2.654 N/A LEU 354.A N ILE 376.A O no hydrogen 2.750 N/A CYS 355.A N GLY 311.A O no hydrogen 2.921 N/A CYS 355.A SG ASN 375.A OD1 no hydrogen 3.323 N/A LEU 356.A N GLY 374.A O no hydrogen 2.974 N/A SER 357.A N ARG 309.A O no hydrogen 2.972 N/A SER 357.A OG LEU 404.A O no hydrogen 2.708 N/A ILE 358.A N ALA 372.A O no hydrogen 3.059 N/A CYS 359.A N TYR 307.A O no hydrogen 2.770 N/A CYS 359.A SG SER 357.A OG no hydrogen 3.309 N/A CYS 359.A SG LEU 404.A O no hydrogen 3.920 N/A SER 360.A N CYS 369.A O no hydrogen 2.850 N/A SER 360.A OG CYS 369.A O no hydrogen 3.277 N/A VAL 361.A N LYS 305.A O no hydrogen 3.255 N/A LYS 362.A N GLU 367.A O no hydrogen 3.214 N/A HIS 368.A ND1 TYR 307.A OH no hydrogen 2.684 N/A HIS 368.A NE2 GLU 366.A OE1 no hydrogen 3.045 N/A CYS 369.A N SER 360.A O no hydrogen 2.914 N/A LEU 371.A N ILE 358.A O no hydrogen 2.928 N/A TRP 373.A N TRP 395.A O no hydrogen 3.155 N/A TRP 373.A NE1 PRO 396.A O no hydrogen 2.747 N/A GLY 374.A N LEU 356.A O no hydrogen 3.067 N/A ASN 375.A ND2 ASN 406.A O no hydrogen 2.791 N/A ASN 375.A ND2 GLY 409.A O no hydrogen 2.960 N/A ILE 376.A N LEU 354.A O no hydrogen 2.751 N/A ASN 377.A ND2 GLN 575.A O no hydrogen 3.130 N/A LEU 378.A N ALA 352.A O no hydrogen 3.075 N/A ASP 380.A N THR 384.A O no hydrogen 2.962 N/A TYR 381.A OH ASP 131.A OD2 no hydrogen 2.739 N/A THR 382.A N ASP 380.A OD1 no hydrogen 3.242 N/A THR 382.A OG1 ASP 380.A OD1 no hydrogen 3.027 N/A THR 382.A OG1 ASP 380.A OD2 no hydrogen 3.377 N/A THR 382.A OG1 THR 384.A OG1 no hydrogen 2.818 N/A ASP 383.A N ASP 380.A O no hydrogen 3.010 N/A THR 384.A N ASP 380.A OD1 no hydrogen 2.787 N/A THR 384.A OG1 THR 382.A O no hydrogen 3.517 N/A THR 384.A OG1 THR 382.A OG1 no hydrogen 2.818 N/A LEU 385.A N VAL 433.A O no hydrogen 2.902 N/A VAL 386.A N LEU 378.A O no hydrogen 2.803 N/A MET 390.A N LEU 424.A O no hydrogen 2.988 N/A LEU 392.A N LEU 422.A O no hydrogen 2.960 N/A ASN 393.A N SER 413.A OG no hydrogen 3.403 N/A LEU 394.A N PRO 420.A O no hydrogen 2.832 N/A TRP 395.A N TRP 373.A O no hydrogen 2.698 N/A TRP 395.A NE1 GLY 412.A O no hydrogen 3.200 N/A LEU 401.A N PRO 398.A O no hydrogen 3.350 N/A GLY 412.A N ASN 375.A O no hydrogen 2.998 N/A SER 413.A OG ASN 414.A O no hydrogen 3.324 N/A ASN 414.A N ASN 393.A O no hydrogen 3.016 N/A ASN 414.A ND2 LEU 394.A O no hydrogen 3.539 N/A ASN 416.A N ASN 414.A OD1 no hydrogen 2.989 N/A LYS 417.A NZ ASN 414.A O no hydrogen 3.265 N/A THR 419.A OG1 ASN 416.A O no hydrogen 3.088 N/A THR 419.A OG1 GLU 418.A O no hydrogen 2.856 N/A CYS 421.A N THR 294.A OG1 no hydrogen 3.230 N/A LEU 422.A N LEU 392.A O no hydrogen 3.016 N/A GLU 423.A N CYS 292.A O no hydrogen 2.762 N/A LEU 424.A N MET 390.A O no hydrogen 3.148 N/A GLU 425.A N LYS 289.A O no hydrogen 2.788 N/A PHE 426.A N GLY 388.A O no hydrogen 2.777 N/A SER 430.A OG SER 275.A O no hydrogen 3.109 N/A LYS 434.A N LYS 277.A O no hydrogen 2.826 N/A LYS 434.A NZ THR 382.A O no hydrogen 2.725 N/A LYS 434.A NZ THR 384.A OG1 no hydrogen 3.277 N/A PHE 435.A N ASP 383.A O no hydrogen 2.979 N/A ILE 441.A N ASP 437.A O no hydrogen 3.133 N/A GLU 442.A N MET 438.A O no hydrogen 2.957 N/A HIS 444.A N VAL 440.A O no hydrogen 3.299 N/A HIS 444.A NE2 ASP 510.A OD1 no hydrogen 2.804 N/A ALA 445.A N ILE 441.A O no hydrogen 2.979 N/A ASN 446.A N GLU 442.A O no hydrogen 3.090 N/A TRP 447.A N GLU 443.A O no hydrogen 2.916 N/A SER 448.A N HIS 444.A O no hydrogen 2.867 N/A SER 448.A OG HIS 444.A O no hydrogen 2.717 N/A VAL 449.A N ALA 445.A O no hydrogen 3.243 N/A SER 450.A N ASN 446.A O no hydrogen 3.242 N/A SER 450.A OG ASN 446.A O no hydrogen 2.685 N/A GLU 452.A N SER 448.A O no hydrogen 3.333 N/A GLU 454.A N TYR 489.A OH no hydrogen 3.213 N/A ARG 456.A NE ASP 459.A OD2 no hydrogen 3.469 N/A LYS 460.A N ARG 456.A O no hydrogen 2.855 N/A GLU 461.A N GLU 457.A O no hydrogen 3.204 N/A LEU 463.A N ASP 459.A O no hydrogen 3.402 N/A ALA 465.A N GLU 461.A O no hydrogen 3.154 N/A ILE 466.A N GLN 462.A O no hydrogen 2.865 N/A SER 467.A N LEU 463.A O no hydrogen 3.107 N/A SER 467.A OG LEU 463.A O no hydrogen 3.145 N/A SER 467.A OG LYS 464.A O no hydrogen 3.015 N/A THR 468.A N LYS 464.A O no hydrogen 3.284 N/A THR 468.A OG1 LYS 464.A O no hydrogen 3.147 N/A THR 468.A OG1 ALA 465.A O no hydrogen 2.730 N/A ARG 469.A N ILE 466.A O no hydrogen 3.256 N/A ARG 469.A NE GLU 479.A OE2 no hydrogen 3.368 N/A ARG 469.A NH2 GLU 479.A OE2 no hydrogen 3.459 N/A SER 473.A N ASP 470.A O no hydrogen 3.033 N/A THR 476.A N GLU 479.A OE1 no hydrogen 3.019 N/A GLN 478.A N GLN 478.A OE1 no hydrogen 2.928 N/A GLU 479.A N THR 476.A OG1 no hydrogen 3.238 N/A LYS 480.A N THR 476.A O no hydrogen 2.752 N/A LYS 480.A NZ GLU 477.A OE2 no hydrogen 3.350 N/A ASP 481.A N GLU 477.A O no hydrogen 3.107 N/A PHE 482.A N GLN 478.A O no hydrogen 2.775 N/A LEU 483.A N GLU 479.A O no hydrogen 2.873 N/A TRP 484.A N LYS 480.A O no hydrogen 3.083 N/A SER 485.A N ASP 481.A O no hydrogen 2.950 N/A SER 485.A OG ASP 481.A O no hydrogen 2.699 N/A HIS 486.A N PHE 482.A O no hydrogen 3.085 N/A HIS 486.A ND1 PHE 482.A O no hydrogen 2.963 N/A ARG 487.A N TRP 484.A O no hydrogen 3.167 N/A ARG 487.A NH1 TRP 484.A O no hydrogen 2.762 N/A ARG 487.A NH2 GLU 452.A OE1 no hydrogen 3.413 N/A ARG 487.A NH2 GLN 514.A OE1 no hydrogen 2.714 N/A CYS 490.A SG LEU 483.A O no hydrogen 3.929 N/A CYS 490.A SG HIS 486.A O no hydrogen 3.187 N/A THR 492.A OG1 TYR 489.A O no hydrogen 2.741 N/A ILE 493.A N CYS 490.A O no hydrogen 3.118 N/A GLU 495.A N GLU 495.A OE1 no hydrogen 2.957 N/A ILE 496.A N ILE 493.A O no hydrogen 3.058 N/A LEU 497.A N PRO 494.A O no hydrogen 3.323 N/A LYS 499.A NZ ARG 469.A O no hydrogen 2.727 N/A LEU 500.A N ILE 496.A O no hydrogen 3.060 N/A LEU 501.A N LEU 497.A O no hydrogen 2.840 N/A LEU 502.A N PRO 498.A O no hydrogen 3.373 N/A SER 503.A N LYS 499.A O no hydrogen 3.302 N/A SER 503.A N LEU 500.A O no hydrogen 3.159 N/A SER 503.A OG LYS 499.A O no hydrogen 2.884 N/A VAL 504.A N LEU 501.A O no hydrogen 3.434 N/A LYS 505.A N GLU 511.A OE1 no hydrogen 3.508 N/A TRP 506.A NE1 LEU 501.A O no hydrogen 2.784 N/A ASN 507.A ND2 LEU 319.A O no hydrogen 2.764 N/A ARG 509.A N ASP 347.A OD1 no hydrogen 3.205 N/A VAL 512.A N SER 508.A O no hydrogen 3.069 N/A ALA 513.A N ARG 509.A O no hydrogen 2.906 N/A GLN 514.A N ASP 510.A O no hydrogen 3.263 N/A GLN 514.A NE2 ASP 510.A O no hydrogen 3.364 N/A MET 515.A N GLU 511.A O no hydrogen 3.101 N/A TYR 516.A N VAL 512.A O no hydrogen 2.888 N/A TYR 516.A OH ASP 540.A OD1 no hydrogen 3.071 N/A TYR 516.A OH ASP 540.A OD2 no hydrogen 2.685 N/A CYS 517.A N ALA 513.A O no hydrogen 3.352 N/A CYS 517.A SG ALA 513.A O no hydrogen 3.371 N/A LEU 518.A N GLN 514.A O no hydrogen 3.379 N/A VAL 519.A N MET 515.A O no hydrogen 2.883 N/A LYS 520.A N TYR 516.A O no hydrogen 3.099 N/A LYS 520.A NZ GLU 442.A OE2 no hydrogen 2.741 N/A TRP 522.A NE1 PRO 494.A O no hydrogen 3.147 N/A GLN 529.A N LYS 526.A O no hydrogen 2.939 N/A ALA 530.A N LYS 526.A O no hydrogen 3.057 N/A MET 531.A N PRO 527.A O no hydrogen 2.935 N/A GLU 532.A N GLN 529.A O no hydrogen 3.182 N/A LEU 533.A N ALA 530.A O no hydrogen 3.142 N/A LEU 534.A N MET 531.A O no hydrogen 3.382 N/A ASP 535.A N GLU 532.A O no hydrogen 3.476 N/A CYS 536.A SG ASN 537.A OD1 no hydrogen 3.966 N/A ASN 537.A N ASP 535.A OD1 no hydrogen 2.759 N/A TYR 538.A N ASP 535.A O no hydrogen 3.260 N/A TYR 538.A OH PRO 498.A O no hydrogen 2.996 N/A MET 542.A N ASP 540.A OD1 no hydrogen 3.120 N/A ARG 544.A N ASP 540.A O no hydrogen 3.051 N/A ARG 544.A NH2 LEU 534.A O no hydrogen 2.577 N/A GLY 545.A N PRO 541.A O no hydrogen 2.866 N/A PHE 546.A N MET 542.A O no hydrogen 2.925 N/A ALA 547.A N VAL 543.A O no hydrogen 3.196 N/A VAL 548.A N ARG 544.A O no hydrogen 2.994 N/A ARG 549.A N GLY 545.A O no hydrogen 3.161 N/A CYS 550.A N PHE 546.A O no hydrogen 3.157 N/A CYS 550.A SG PHE 546.A O no hydrogen 3.366 N/A LEU 551.A N ALA 547.A O no hydrogen 3.351 N/A GLU 552.A N VAL 548.A O no hydrogen 2.935 N/A LYS 553.A N ARG 549.A O no hydrogen 3.234 N/A TYR 554.A N CYS 550.A O no hydrogen 3.036 N/A LEU 555.A N LEU 551.A O no hydrogen 3.037 N/A THR 556.A OG1 SER 166.A OG no hydrogen 2.916 N/A LYS 559.A NZ GLU 528.A OE2 no hydrogen 2.861 N/A LEU 560.A N THR 556.A O no hydrogen 2.832 N/A SER 561.A N ASP 557.A O no hydrogen 3.192 N/A SER 561.A OG ASP 557.A O no hydrogen 3.115 N/A GLN 562.A N ASP 558.A O no hydrogen 2.874 N/A TYR 563.A N LYS 559.A O no hydrogen 2.876 N/A GLN 566.A N TYR 563.A O no hydrogen 3.243 N/A GLN 566.A NE2 GLN 747.A OE1 no hydrogen 2.715 N/A LEU 567.A N TYR 563.A O no hydrogen 3.344 N/A VAL 568.A N LEU 564.A O no hydrogen 3.120 N/A GLN 569.A N ILE 565.A O no hydrogen 3.362 N/A GLN 569.A NE2 GLU 606.A OE1 no hydrogen 3.289 N/A GLN 569.A NE2 GLU 606.A OE2 no hydrogen 2.823 N/A VAL 570.A N GLN 566.A O no hydrogen 3.027 N/A LEU 571.A N VAL 568.A O no hydrogen 3.287 N/A LYS 572.A N GLN 569.A O no hydrogen 3.198 N/A LYS 572.A NZ GLN 569.A OE1 no hydrogen 2.944 N/A LYS 572.A NZ GLU 606.A OE1 no hydrogen 2.730 N/A LYS 572.A NZ GLU 606.A OE2 no hydrogen 3.506 N/A LYS 572.A NZ GLY 932.A O no hydrogen 3.475 N/A TYR 573.A N VAL 570.A O no hydrogen 3.071 N/A TYR 573.A OH SER 928.A O no hydrogen 3.083 N/A TYR 573.A OH MET 929.A O no hydrogen 3.134 N/A GLN 575.A NE2 ASN 377.A OD1 no hydrogen 2.897 N/A TYR 576.A OH PHE 379.A O no hydrogen 2.692 N/A LEU 577.A N GLU 128.A OE2 no hydrogen 2.822 N/A ASN 579.A ND2 TYR 576.A O no hydrogen 2.994 N/A VAL 582.A N ASN 579.A OD1 no hydrogen 2.932 N/A ARG 583.A N ASN 579.A O no hydrogen 3.422 N/A ARG 583.A NE ASP 578.A OD1 no hydrogen 2.778 N/A ARG 583.A NH2 ASP 578.A OD1 no hydrogen 3.370 N/A ARG 583.A NH2 ASP 578.A OD2 no hydrogen 3.121 N/A PHE 584.A N LEU 580.A O no hydrogen 2.988 N/A LEU 585.A N LEU 581.A O no hydrogen 2.877 N/A LEU 586.A N VAL 582.A O no hydrogen 2.959 N/A LYS 587.A N ARG 583.A O no hydrogen 3.159 N/A LYS 588.A N PHE 584.A O no hydrogen 3.235 N/A ALA 589.A N LEU 585.A O no hydrogen 2.804 N/A LEU 590.A N LEU 586.A O no hydrogen 3.006 N/A THR 591.A N LYS 587.A O no hydrogen 2.948 N/A THR 591.A OG1 LYS 587.A O no hydrogen 2.896 N/A THR 591.A OG1 LYS 588.A O no hydrogen 3.503 N/A ASN 592.A ND2 ASP 557.A OD2 no hydrogen 3.372 N/A GLN 593.A N TYR 158.A O no hydrogen 3.125 N/A ARG 594.A N ASN 592.A OD1 no hydrogen 2.951 N/A ARG 594.A NH1 ASP 557.A O no hydrogen 3.216 N/A ARG 594.A NH1 SER 561.A OG no hydrogen 2.929 N/A ILE 595.A N ASN 592.A OD1 no hydrogen 3.339 N/A GLY 596.A N ASN 592.A O no hydrogen 2.929 N/A HIS 597.A N GLN 593.A O no hydrogen 3.029 N/A HIS 597.A ND1 TYR 630.A OH no hydrogen 2.638 N/A HIS 597.A NE2 PRO 686.A O no hydrogen 2.753 N/A PHE 599.A N ILE 595.A O no hydrogen 2.874 N/A PHE 600.A N GLY 596.A O no hydrogen 3.110 N/A TRP 601.A N HIS 597.A O no hydrogen 3.205 N/A TRP 601.A NE1 GLN 637.A OE1 no hydrogen 2.905 N/A HIS 602.A N PHE 598.A O no hydrogen 2.783 N/A LEU 603.A N PHE 599.A O no hydrogen 3.394 N/A LYS 604.A N PHE 600.A O no hydrogen 2.757 N/A LYS 604.A NZ ALA 113.A O no hydrogen 2.947 N/A SER 605.A N TRP 601.A O no hydrogen 2.939 N/A SER 605.A OG TRP 601.A O no hydrogen 3.110 N/A SER 605.A OG HIS 602.A O no hydrogen 2.746 N/A GLU 606.A N LEU 603.A O no hydrogen 3.225 N/A MET 607.A N LYS 604.A O no hydrogen 3.401 N/A ASN 609.A N GLU 606.A O no hydrogen 3.081 N/A THR 611.A N ASN 609.A OD1 no hydrogen 3.436 N/A THR 611.A OG1 ASN 609.A OD1 no hydrogen 2.781 N/A VAL 612.A N ASN 609.A O no hydrogen 3.280 N/A SER 613.A OG MET 607.A O no hydrogen 2.774 N/A SER 613.A OG ASN 609.A O no hydrogen 2.873 N/A ARG 615.A NH1 TYR 576.A O no hydrogen 3.082 N/A PHE 616.A N VAL 612.A O no hydrogen 2.886 N/A GLY 617.A N SER 613.A O no hydrogen 2.774 N/A LEU 618.A N GLN 614.A O no hydrogen 2.907 N/A LEU 619.A N ARG 615.A O no hydrogen 2.999 N/A LEU 620.A N PHE 616.A O no hydrogen 2.888 N/A GLU 621.A N GLY 617.A O no hydrogen 2.995 N/A SER 622.A N LEU 618.A O no hydrogen 3.217 N/A SER 622.A OG LEU 618.A O no hydrogen 3.007 N/A TYR 623.A N LEU 619.A O no hydrogen 3.180 N/A CYS 624.A N LEU 620.A O no hydrogen 2.771 N/A CYS 624.A SG LEU 620.A O no hydrogen 3.255 N/A ARG 625.A N GLU 621.A O no hydrogen 2.885 N/A ARG 625.A NH1 ASN 107.A OD1 no hydrogen 3.015 N/A ALA 626.A N SER 622.A O no hydrogen 3.302 N/A ALA 626.A N TYR 623.A O no hydrogen 3.060 N/A CYS 627.A N TYR 623.A O no hydrogen 2.685 N/A CYS 627.A SG CYS 624.A O no hydrogen 3.975 N/A TYR 630.A OH HIS 597.A ND1 no hydrogen 2.638 N/A LYS 632.A N MET 629.A O no hydrogen 3.373 N/A LYS 632.A NZ GLU 109.A OE1 no hydrogen 2.796 N/A LEU 634.A N TYR 630.A O no hydrogen 2.927 N/A ASN 635.A N LEU 631.A O no hydrogen 3.116 N/A ASN 635.A ND2 GLU 109.A O no hydrogen 3.360 N/A ARG 636.A N LYS 632.A O no hydrogen 3.419 N/A GLN 637.A N HIS 633.A O no hydrogen 3.289 N/A GLN 637.A NE2 TYR 630.A OH no hydrogen 3.421 N/A VAL 638.A N LEU 634.A O no hydrogen 2.796 N/A GLU 639.A N ASN 635.A O no hydrogen 2.837 N/A ALA 640.A N ARG 636.A O no hydrogen 3.119 N/A MET 641.A N GLN 637.A O no hydrogen 2.966 N/A GLU 642.A N VAL 638.A O no hydrogen 2.945 N/A LYS 643.A N GLU 639.A O no hydrogen 3.170 N/A LYS 643.A NZ GLU 2.A OE2 no hydrogen 3.534 N/A LYS 643.A NZ ASP 84.A OD1 no hydrogen 2.843 N/A LYS 643.A NZ ASP 675.A OD2 no hydrogen 3.277 N/A LEU 644.A N ALA 640.A O no hydrogen 3.174 N/A ILE 645.A N MET 641.A O no hydrogen 2.898 N/A ASN 646.A N GLU 642.A O no hydrogen 3.121 N/A LEU 647.A N LYS 643.A O no hydrogen 3.303 N/A THR 648.A N LEU 644.A O no hydrogen 3.376 N/A THR 648.A OG1 LEU 644.A O no hydrogen 2.870 N/A THR 648.A OG1 ILE 645.A O no hydrogen 2.944 N/A ASP 649.A N ILE 645.A O no hydrogen 2.950 N/A ILE 650.A N ASN 646.A O no hydrogen 3.162 N/A LEU 651.A N LEU 647.A O no hydrogen 2.968 N/A LYS 652.A N THR 648.A O no hydrogen 2.871 N/A LYS 652.A NZ ASN 735.A OD1 no hydrogen 3.258 N/A GLN 653.A N ASP 649.A O no hydrogen 2.936 N/A LYS 655.A N ILE 650.A O no hydrogen 2.866 N/A LYS 655.A NZ GLU 654.A OE1 no hydrogen 3.130 N/A GLN 663.A N THR 659.A O no hydrogen 3.151 N/A GLN 663.A NE2 LYS 655.A O no hydrogen 2.724 N/A MET 664.A N GLN 660.A O no hydrogen 3.055 N/A LYS 665.A N LYS 661.A O no hydrogen 3.143 N/A PHE 666.A N VAL 662.A O no hydrogen 3.196 N/A LEU 667.A N GLN 663.A O no hydrogen 2.885 N/A VAL 668.A N MET 664.A O no hydrogen 2.759 N/A GLU 669.A N LYS 665.A O no hydrogen 2.921 N/A GLN 670.A N PHE 666.A O no hydrogen 3.031 N/A MET 671.A N LEU 667.A O no hydrogen 2.916 N/A ARG 672.A N VAL 668.A O no hydrogen 2.901 N/A ARG 673.A NE GLU 32.A OE1 no hydrogen 2.971 N/A ARG 673.A NH2 GLU 32.A OE1 no hydrogen 2.802 N/A MET 677.A N ARG 673.A O no hydrogen 2.997 N/A ASP 678.A N PRO 674.A O no hydrogen 2.864 N/A ALA 679.A N ASP 675.A O no hydrogen 3.382 N/A LEU 680.A N PHE 676.A O no hydrogen 2.906 N/A GLN 681.A NE2 MET 677.A O no hydrogen 3.065 N/A GLY 682.A N LEU 693.A O no hydrogen 3.044 N/A GLY 682.A N GLY 694.A O no hydrogen 3.314 N/A PHE 683.A N LEU 693.A O no hydrogen 3.184 N/A SER 685.A N HIS 691.A O no hydrogen 3.031 N/A ASN 688.A N SER 685.A O no hydrogen 3.254 N/A ALA 690.A N ASN 688.A OD1 no hydrogen 3.035 N/A HIS 691.A N ASN 688.A O no hydrogen 2.990 N/A LEU 693.A N PHE 683.A O no hydrogen 2.994 N/A GLY 694.A N GLU 716.A O no hydrogen 2.776 N/A LEU 696.A N GLN 681.A OE1 no hydrogen 2.901 N/A ARG 697.A N ASN 714.A O no hydrogen 2.862 N/A ARG 697.A NE GLU 716.A OE2 no hydrogen 2.708 N/A GLU 700.A N ARG 697.A O no hydrogen 3.039 N/A CYS 701.A SG ARG 697.A O no hydrogen 3.355 N/A CYS 701.A SG ASN 714.A O no hydrogen 4.041 N/A ARG 702.A N TRP 712.A O no hydrogen 2.999 N/A ARG 702.A NH1 GLU 699.A O no hydrogen 2.588 N/A ARG 702.A NH1 CYS 701.A O no hydrogen 2.923 N/A ARG 702.A NH2 GLU 699.A O no hydrogen 3.544 N/A MET 704.A N PRO 710.A O no hydrogen 2.934 N/A ARG 709.A N SER 706.A O no hydrogen 3.207 N/A LEU 711.A N PHE 733.A O no hydrogen 2.944 N/A TRP 712.A N ARG 702.A O no hydrogen 2.751 N/A TRP 712.A NE1 GLU 730.A OE1 no hydrogen 2.765 N/A LEU 713.A N ILE 731.A O no hydrogen 2.945 N/A TRP 715.A N ASN 729.A O no hydrogen 2.909 N/A TRP 715.A NE1 LEU 680.A O no hydrogen 2.714 N/A GLU 716.A N ASN 695.A O no hydrogen 2.742 N/A ASN 717.A N GLN 727.A O no hydrogen 3.066 N/A ASN 717.A ND2 GLY 229.A O no hydrogen 3.607 N/A ASN 717.A ND2 PHE 726.A O no hydrogen 2.929 N/A ASP 719.A N ASN 717.A OD1 no hydrogen 3.271 N/A MET 721.A N ASP 719.A OD2 no hydrogen 3.338 N/A SER 722.A N ASP 719.A O no hydrogen 3.274 N/A SER 722.A OG ASP 719.A O no hydrogen 3.436 N/A GLU 723.A N GLU 723.A OE1 no hydrogen 2.840 N/A ASN 728.A ND2 ASN 714.A OD1 no hydrogen 3.175 N/A ASN 728.A ND2 GLU 730.A OE2 no hydrogen 3.132 N/A ASN 729.A N TRP 715.A O no hydrogen 2.843 N/A ILE 731.A N LEU 713.A O no hydrogen 3.143 N/A ILE 732.A N ILE 780.A O no hydrogen 2.959 N/A PHE 733.A N LEU 711.A O no hydrogen 2.884 N/A LYS 734.A N GLY 778.A O no hydrogen 3.128 N/A LYS 734.A NZ ASP 737.A OD2 no hydrogen 2.703 N/A ARG 740.A N ASP 738.A OD1 no hydrogen 3.269 N/A ARG 740.A NE ASP 738.A OD1 no hydrogen 3.203 N/A ARG 740.A NE ASP 738.A OD2 no hydrogen 3.510 N/A ARG 740.A NH1 GLU 606.A OE2 no hydrogen 3.420 N/A ARG 740.A NH2 ASP 738.A OD2 no hydrogen 3.339 N/A GLN 741.A NE2 ASP 738.A OD2 no hydrogen 3.236 N/A GLN 741.A NE2 GLU 937.A OE1 no hydrogen 3.047 N/A MET 743.A N LEU 739.A O no hydrogen 2.987 N/A LEU 744.A N ARG 740.A O no hydrogen 3.043 N/A THR 745.A N GLN 741.A O no hydrogen 2.842 N/A THR 745.A OG1 GLN 741.A O no hydrogen 2.630 N/A LEU 746.A N ASP 742.A O no hydrogen 2.825 N/A GLN 747.A N MET 743.A O no hydrogen 3.054 N/A GLN 747.A NE2 GLN 562.A O no hydrogen 2.667 N/A GLN 747.A NE2 GLN 566.A OE1 no hydrogen 2.723 N/A ILE 748.A N LEU 744.A O no hydrogen 2.955 N/A ILE 749.A N THR 745.A O no hydrogen 3.032 N/A ARG 750.A N LEU 746.A O no hydrogen 3.279 N/A ILE 751.A N GLN 747.A O no hydrogen 3.109 N/A MET 752.A N ILE 748.A O no hydrogen 2.723 N/A GLU 753.A N ILE 749.A O no hydrogen 2.894 N/A ASN 754.A N ARG 750.A O no hydrogen 3.011 N/A ILE 755.A N ILE 751.A O no hydrogen 3.005 N/A TRP 756.A N MET 752.A O no hydrogen 3.188 N/A TRP 756.A NE1 ALA 912.A O no hydrogen 2.946 N/A GLN 757.A N GLU 753.A O no hydrogen 2.991 N/A GLN 757.A NE2 ASP 762.A OD1 no hydrogen 3.317 N/A ASN 758.A N ASN 754.A O no hydrogen 3.245 N/A GLN 759.A N ILE 755.A O no hydrogen 3.177 N/A GLY 760.A N GLN 757.A O no hydrogen 3.436 N/A LEU 763.A N LEU 761.A O no hydrogen 2.994 N/A MET 765.A N GLU 753.A OE2 no hydrogen 2.971 N/A LEU 766.A N TYR 829.A OH no hydrogen 3.093 N/A TYR 768.A N LEU 766.A O no hydrogen 2.926 N/A GLY 769.A N GLU 781.A OE1 no hydrogen 2.784 N/A CYS 770.A SG LEU 739.A O no hydrogen 3.867 N/A CYS 770.A SG LEU 779.A O no hydrogen 3.985 N/A LEU 771.A N LEU 779.A O no hydrogen 3.056 N/A ILE 773.A N VAL 777.A O no hydrogen 2.765 N/A CYS 776.A SG ASP 775.A OD1 no hydrogen 3.765 N/A GLY 778.A N LYS 734.A O no hydrogen 3.214 N/A LEU 779.A N LEU 771.A O no hydrogen 2.883 N/A ILE 780.A N ILE 732.A O no hydrogen 3.033 N/A GLU 781.A N GLY 769.A O no hydrogen 2.770 N/A VAL 782.A N GLU 730.A O no hydrogen 3.303 N/A ARG 784.A NH2 ASN 728.A O no hydrogen 2.706 N/A SER 786.A OG VAL 783.A O no hydrogen 2.720 N/A HIS 787.A N VAL 848.A O no hydrogen 2.996 N/A ILE 789.A N ASN 843.A O no hydrogen 3.066 N/A ILE 789.A N ILE 846.A O no hydrogen 3.254 N/A GLN 791.A N THR 788.A O no hydrogen 3.238 N/A GLN 793.A N ILE 789.A O no hydrogen 3.271 N/A GLN 793.A NE2 ASP 884.A OD2 no hydrogen 2.772 N/A THR 801.A OG1 ASN 798.A O no hydrogen 2.917 N/A HIS 803.A NE2 TYR 815.A OH no hydrogen 2.662 N/A GLN 804.A N HIS 800.A O no hydrogen 3.204 N/A TRP 805.A N THR 801.A O no hydrogen 3.277 N/A LEU 806.A N LEU 802.A O no hydrogen 3.309 N/A LYS 807.A N HIS 803.A O no hydrogen 3.137 N/A ASP 808.A N GLN 804.A O no hydrogen 3.235 N/A LYS 809.A N TRP 805.A O no hydrogen 3.083 N/A LYS 809.A NZ ASP 850.A OD2 no hydrogen 3.491 N/A ASN 810.A N LEU 806.A O no hydrogen 3.126 N/A ASN 810.A ND2 LEU 806.A O no hydrogen 3.416 N/A ASN 810.A ND2 ASP 850.A O no hydrogen 2.747 N/A TYR 815.A OH HIS 803.A NE2 no hydrogen 2.662 N/A ALA 817.A N ILE 814.A O no hydrogen 3.078 N/A ALA 818.A N ILE 814.A O no hydrogen 3.410 N/A ILE 819.A N TYR 815.A O no hydrogen 3.085 N/A ASP 820.A N ASP 816.A O no hydrogen 2.995 N/A LEU 821.A N ALA 817.A O no hydrogen 2.940 N/A PHE 822.A N ALA 818.A O no hydrogen 2.971 N/A THR 823.A N ILE 819.A O no hydrogen 2.890 N/A THR 823.A OG1 ILE 819.A O no hydrogen 2.572 N/A ARG 824.A N ASP 820.A O no hydrogen 2.845 N/A ARG 824.A NE ASP 820.A OD1 no hydrogen 3.138 N/A ARG 824.A NE ASP 820.A OD2 no hydrogen 3.024 N/A ARG 824.A NH1 ASP 762.A O no hydrogen 2.861 N/A SER 825.A N LEU 821.A O no hydrogen 2.860 N/A SER 825.A OG ARG 764.A O no hydrogen 3.420 N/A SER 825.A OG LEU 821.A O no hydrogen 2.695 N/A CYS 826.A N PHE 822.A O no hydrogen 2.920 N/A CYS 826.A SG PHE 822.A O no hydrogen 3.296 N/A ALA 827.A N THR 823.A O no hydrogen 3.138 N/A GLY 828.A N ARG 824.A O no hydrogen 3.350 N/A TYR 829.A N SER 825.A O no hydrogen 3.152 N/A CYS 830.A N CYS 826.A O no hydrogen 2.800 N/A VAL 831.A N ALA 827.A O no hydrogen 3.125 N/A ALA 832.A N GLY 828.A O no hydrogen 2.741 N/A THR 833.A N TYR 829.A O no hydrogen 3.300 N/A THR 833.A OG1 TYR 829.A O no hydrogen 2.686 N/A THR 833.A OG1 CYS 830.A O no hydrogen 3.382 N/A PHE 834.A N CYS 830.A O no hydrogen 3.395 N/A ILE 835.A N VAL 831.A O no hydrogen 3.088 N/A LEU 836.A N ALA 832.A O no hydrogen 3.055 N/A GLY 837.A N THR 833.A O no hydrogen 2.752 N/A ARG 841.A N PRO 878.A O no hydrogen 3.481 N/A ARG 841.A NE GLY 839.A O no hydrogen 2.986 N/A ARG 841.A NH1 GLY 839.A O no hydrogen 3.138 N/A ARG 841.A NH1 ASP 858.A O no hydrogen 3.013 N/A ARG 841.A NH2 ILE 857.A O no hydrogen 2.848 N/A ARG 841.A NH2 ASP 858.A O no hydrogen 3.556 N/A ASN 845.A N HIS 842.A O no hydrogen 2.970 N/A ASN 845.A ND2 ASP 840.A O no hydrogen 3.020 N/A ILE 846.A N HIS 842.A O no hydrogen 3.116 N/A MET 847.A N PHE 855.A O no hydrogen 2.816 N/A VAL 848.A N HIS 787.A O no hydrogen 2.729 N/A LYS 849.A N GLN 853.A O no hydrogen 2.946 N/A LYS 849.A NZ ASP 851.A OD1 no hydrogen 3.234 N/A GLY 852.A N LYS 849.A O no hydrogen 3.183 N/A GLN 853.A N ASP 851.A OD1 no hydrogen 3.460 N/A PHE 855.A N MET 847.A O no hydrogen 2.863 N/A ILE 857.A N ASN 845.A O no hydrogen 3.109 N/A PHE 859.A N ASP 742.A OD2 no hydrogen 3.037 N/A GLY 860.A N ASP 742.A OD1 no hydrogen 3.306 N/A LEU 863.A N LEU 836.A O no hydrogen 2.793 N/A ASP 864.A N GLY 837.A O no hydrogen 2.992 N/A LYS 867.A N ASP 864.A O no hydrogen 3.184 N/A LYS 868.A NZ GLU 402.A OE2 no hydrogen 3.295 N/A TYR 872.A OH ASP 864.A OD1 no hydrogen 3.267 N/A ARG 876.A NH2 ILE 838.A O no hydrogen 2.677 N/A PHE 885.A N THR 882.A O no hydrogen 3.003 N/A LEU 886.A N THR 882.A O no hydrogen 3.202 N/A ILE 887.A N GLN 883.A O no hydrogen 3.282 N/A VAL 888.A N PHE 885.A O no hydrogen 3.251 N/A ILE 889.A N PHE 885.A O no hydrogen 3.367 N/A SER 890.A N LEU 886.A O no hydrogen 2.880 N/A SER 890.A OG LEU 886.A O no hydrogen 3.078 N/A SER 890.A OG CYS 896.A O no hydrogen 2.812 N/A SER 890.A OG THR 899.A OG1 no hydrogen 3.152 N/A LYS 891.A NZ ASP 816.A OD1 no hydrogen 2.925 N/A GLY 892.A N ILE 887.A O no hydrogen 3.055 N/A CYS 896.A SG GLN 883.A OE1 no hydrogen 3.310 N/A LYS 898.A N GLU 895.A O no hydrogen 3.385 N/A THR 899.A OG1 SER 890.A OG no hydrogen 3.152 N/A THR 899.A OG1 CYS 896.A O no hydrogen 3.193 N/A PHE 902.A N THR 899.A OG1 no hydrogen 3.236 N/A GLU 903.A N THR 899.A O no hydrogen 3.234 N/A ARG 904.A N ARG 900.A O no hydrogen 2.904 N/A PHE 905.A N GLU 901.A O no hydrogen 2.778 N/A GLN 906.A N PHE 902.A O no hydrogen 2.895 N/A GLN 906.A NE2 THR 977.A O no hydrogen 3.158 N/A GLU 907.A N GLU 903.A O no hydrogen 3.136 N/A CYS 909.A N PHE 905.A O no hydrogen 3.329 N/A CYS 909.A SG ALA 827.A O no hydrogen 3.922 N/A CYS 909.A SG PHE 905.A O no hydrogen 3.621 N/A TYR 910.A N GLN 906.A O no hydrogen 3.081 N/A LYS 911.A N GLU 907.A O no hydrogen 3.050 N/A ALA 912.A N MET 908.A O no hydrogen 2.806 N/A TYR 913.A N CYS 909.A O no hydrogen 2.882 N/A TYR 913.A OH THR 950.A O no hydrogen 2.604 N/A LEU 914.A N TYR 910.A O no hydrogen 3.003 N/A ALA 915.A N LYS 911.A O no hydrogen 3.147 N/A ILE 916.A N ALA 912.A O no hydrogen 3.288 N/A ARG 917.A N TYR 913.A O no hydrogen 3.063 N/A ARG 917.A NH1 LEU 951.A O no hydrogen 3.242 N/A ARG 917.A NH1 LYS 955.A O no hydrogen 3.492 N/A ARG 917.A NH2 LYS 955.A O no hydrogen 3.220 N/A GLN 918.A N LEU 914.A O no hydrogen 2.955 N/A GLN 918.A NE2 GLU 957.A OE2 no hydrogen 3.220 N/A HIS 919.A N ALA 915.A O no hydrogen 3.347 N/A HIS 919.A ND1 ALA 915.A O no hydrogen 2.829 N/A ALA 920.A N ARG 917.A O no hydrogen 3.225 N/A ILE 924.A N ALA 920.A O no hydrogen 3.031 N/A ASN 925.A N ASN 921.A O no hydrogen 2.834 N/A ASN 925.A ND2 GLU 528.A O no hydrogen 3.615 N/A LEU 926.A N LEU 922.A O no hydrogen 2.865 N/A PHE 927.A N PHE 923.A O no hydrogen 2.950 N/A SER 928.A N ILE 924.A O no hydrogen 2.891 N/A SER 928.A OG ILE 924.A O no hydrogen 2.884 N/A MET 929.A N ASN 925.A O no hydrogen 3.004 N/A MET 930.A N PHE 927.A O no hydrogen 3.123 N/A LEU 931.A N SER 928.A O no hydrogen 3.435 N/A GLY 932.A N TYR 573.A OH no hydrogen 2.767 N/A SER 933.A N MET 930.A O no hydrogen 3.062 N/A SER 933.A OG MET 930.A O no hydrogen 2.708 N/A MET 935.A N SER 933.A OG no hydrogen 3.362 N/A GLU 937.A N GLU 937.A OE1 no hydrogen 2.705 N/A LEU 938.A N MET 935.A O no hydrogen 3.162 N/A GLN 939.A NE2 HIS 399.A O no hydrogen 2.732 N/A SER 940.A OG ASP 943.A OD1 no hydrogen 2.739 N/A ASP 943.A N SER 940.A O no hydrogen 3.133 N/A ALA 945.A N PHE 941.A O no hydrogen 3.208 N/A ILE 947.A N ILE 944.A O no hydrogen 3.336 N/A ARG 948.A N ALA 945.A O no hydrogen 3.219 N/A ARG 948.A NH1 ASP 470.A OD1 no hydrogen 3.453 N/A ARG 948.A NH1 ASP 470.A OD2 no hydrogen 3.192 N/A ARG 948.A NH2 ASP 954.A OD2 no hydrogen 2.971 N/A LYS 949.A N ALA 945.A O no hydrogen 3.222 N/A THR 950.A N TYR 946.A O no hydrogen 3.027 N/A THR 950.A OG1 ILE 835.A O no hydrogen 3.097 N/A THR 950.A OG1 TYR 946.A O no hydrogen 3.512 N/A THR 950.A OG1 ILE 947.A O no hydrogen 3.227 N/A LEU 951.A N ILE 947.A O no hydrogen 3.041 N/A LEU 953.A N ARG 948.A O no hydrogen 3.064 N/A LYS 955.A N ALA 952.A O no hydrogen 3.161 N/A THR 956.A OG1 GLU 959.A OE1 no hydrogen 2.729 N/A ALA 960.A N THR 956.A O no hydrogen 2.746 N/A LEU 961.A N GLU 957.A O no hydrogen 3.045 N/A GLU 962.A N GLN 958.A O no hydrogen 2.967 N/A TYR 963.A N GLU 959.A O no hydrogen 2.772 N/A TYR 963.A OH GLU 875.A OE1 no hydrogen 2.696 N/A PHE 964.A N ALA 960.A O no hydrogen 3.038 N/A MET 965.A N LEU 961.A O no hydrogen 3.283 N/A LYS 966.A N GLU 962.A O no hydrogen 3.335 N/A LYS 966.A NZ ASP 970.A OD2 no hydrogen 3.506 N/A GLN 967.A N TYR 963.A O no hydrogen 3.268 N/A MET 968.A N PHE 964.A O no hydrogen 3.301 N/A ASN 969.A N MET 965.A O no hydrogen 3.153 N/A ASN 969.A ND2 TRP 976.A O no hydrogen 2.684 N/A ASP 970.A N LYS 966.A O no hydrogen 3.019 N/A ALA 971.A N GLN 967.A O no hydrogen 3.226 N/A HIS 972.A N MET 968.A O no hydrogen 2.936 N/A GLY 974.A N ASN 969.A O no hydrogen 3.111 N/A GLY 975.A N HIS 972.A O no hydrogen 3.218 N/A TRP 976.A NE1 TYR 910.A OH no hydrogen 3.220 N/A THR 977.A OG1 THR 978.A O no hydrogen 3.543 N/A