Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kyw_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N SER 4.A OG no hydrogen 2.941 N/A VAL 8.A N SER 4.A O no hydrogen 3.266 N/A ILE 9.A N PRO 5.A O no hydrogen 2.975 N/A GLU 10.A N ILE 6.A O no hydrogen 2.865 N/A ASN 11.A N GLN 7.A O no hydrogen 3.037 N/A ASP 12.A N VAL 8.A O no hydrogen 2.986 N/A ARG 13.A N ILE 9.A O no hydrogen 2.932 N/A ARG 13.A NE THR 34.A O no hydrogen 2.495 N/A ARG 13.A NH2 THR 34.A O no hydrogen 3.210 N/A ALA 14.A N GLU 10.A O no hydrogen 2.957 N/A ALA 14.A N ASN 11.A O no hydrogen 3.084 N/A SER 15.A N ASN 11.A O no hydrogen 3.143 N/A SER 15.A OG ASN 11.A O no hydrogen 3.389 N/A ARG 16.A NH2 ILE 29.A O no hydrogen 2.556 N/A GLY 17.A N ARG 13.A O no hydrogen 2.849 N/A GLY 18.A N ASP 36.A O no hydrogen 3.382 N/A TYR 21.A N MET 38.A O no hydrogen 2.886 N/A THR 23.A N GLN 40.A O no hydrogen 3.231 N/A THR 23.A OG1 THR 23.A O no hydrogen 2.407 N/A THR 23.A OG1 ASP 41.A O no hydrogen 1.919 N/A THR 23.A OG1 ASN 44.A O no hydrogen 2.625 N/A ASN 24.A N ALA 22.A O no hydrogen 2.761 N/A THR 25.A OG1 ASN 24.A OD1 no hydrogen 3.061 N/A ARG 26.A NH1 ASP 478.A O no hydrogen 2.328 N/A ARG 26.A NH2 ASP 478.A O no hydrogen 3.189 N/A LEU 32.A N ASP 12.A OD2 no hydrogen 3.256 N/A THR 35.A N LEU 32.A O no hydrogen 3.193 N/A THR 35.A OG1 ASP 12.A OD2 no hydrogen 2.902 N/A CYS 37.A SG THR 35.A O no hydrogen 3.970 N/A CYS 37.A SG MET 38.A O no hydrogen 3.988 N/A ILE 39.A N GLU 85.A OE2 no hydrogen 3.263 N/A GLN 40.A N TYR 21.A O no hydrogen 3.024 N/A GLY 43.A N ASP 41.A OD1 no hydrogen 2.604 N/A ASN 44.A N THR 23.A OG1 no hydrogen 3.083 N/A ASN 44.A N ASP 41.A O no hydrogen 3.502 N/A ALA 45.A N ASN 502.A O no hydrogen 3.042 N/A ARG 48.A N SER 46.A OG no hydrogen 3.088 N/A ARG 48.A NH2 CYS 37.A O no hydrogen 3.477 N/A ARG 48.A NH2 GLU 85.A OE2 no hydrogen 3.518 N/A PHE 49.A N SER 46.A O no hydrogen 3.022 N/A ILE 50.A N SER 46.A O no hydrogen 3.132 N/A ARG 51.A N VAL 74.A O no hydrogen 3.083 N/A ARG 51.A NE PRO 47.A O no hydrogen 3.325 N/A ARG 51.A NH1 PRO 31.A O no hydrogen 2.681 N/A ARG 51.A NH1 GLU 519.A OE1 no hydrogen 3.390 N/A ARG 51.A NH1 GLU 519.A OE2 no hydrogen 2.575 N/A ARG 51.A NH2 PRO 31.A O no hydrogen 3.138 N/A CYS 52.A N TYR 55.A OH no hydrogen 3.141 N/A THR 53.A N ALA 72.A O no hydrogen 2.962 N/A THR 53.A OG1 PRO 70.A O no hydrogen 2.790 N/A THR 53.A OG1 ALA 72.A O no hydrogen 3.219 N/A TYR 55.A N SER 517.A O no hydrogen 2.824 N/A TYR 55.A OH GLU 519.A OE1 no hydrogen 2.789 N/A PHE 57.A N ASN 506.A O no hydrogen 2.725 N/A MET 63.A N THR 60.A OG1 no hydrogen 3.320 N/A ALA 64.A N THR 60.A O no hydrogen 3.469 N/A LYS 65.A N SER 61.A O no hydrogen 3.026 N/A GLN 66.A N ASP 62.A O no hydrogen 2.889 N/A ALA 67.A N MET 63.A O no hydrogen 3.314 N/A GLN 68.A N ALA 64.A O no hydrogen 2.835 N/A ALA 72.A N THR 53.A OG1 no hydrogen 2.958 N/A ALA 73.A N VAL 467.A O no hydrogen 2.899 N/A VAL 74.A N ARG 51.A O no hydrogen 2.717 N/A ILE 75.A N VAL 465.A O no hydrogen 2.779 N/A LYS 76.A N PHE 49.A O no hydrogen 2.474 N/A LYS 76.A NZ ASP 618.A OD2 no hydrogen 3.513 N/A ALA 79.A N LYS 76.A O no hydrogen 3.151 N/A GLU 85.A N PRO 82.A O no hydrogen 3.230 N/A VAL 91.A N GLU 161.A O no hydrogen 2.643 N/A HIS 93.A NE2 GLU 154.A OE2 no hydrogen 3.107 N/A GLY 94.A N ASN 92.A OD1 no hydrogen 3.018 N/A GLY 97.A N GLY 94.A O no hydrogen 3.183 N/A VAL 99.A N HIS 93.A ND1 no hydrogen 3.014 N/A ARG 100.A NE LYS 105.A O no hydrogen 3.261 N/A ARG 100.A NH2 LYS 105.A O no hydrogen 2.906 N/A CYS 101.A N ALA 106.A O no hydrogen 2.908 N/A CYS 101.A SG ASN 130.A OD1 no hydrogen 3.780 N/A ASN 102.A N ASN 130.A OD1 no hydrogen 2.647 N/A LYS 105.A N CYS 101.A O no hydrogen 2.951 N/A TYR 107.A N GLN 484.A OE1 no hydrogen 2.724 N/A MET 108.A N VAL 99.A O no hydrogen 2.882 N/A CYS 109.A SG TYR 107.A O no hydrogen 3.542 N/A MET 112.A N CYS 109.A O no hydrogen 3.168 N/A GLN 113.A N GLN 122.A O no hydrogen 3.124 N/A ILE 115.A N ARG 120.A O no hydrogen 2.752 N/A GLY 118.A N ILE 115.A O no hydrogen 3.096 N/A ARG 119.A N GLU 116.A O no hydrogen 3.149 N/A ARG 120.A N ILE 115.A O no hydrogen 3.430 N/A TYR 121.A N ASN 130.A O no hydrogen 3.151 N/A GLN 122.A N GLN 113.A O no hydrogen 2.686 N/A GLN 122.A NE2 ASN 127.A O no hydrogen 3.283 N/A CYS 123.A N CYS 128.A O no hydrogen 2.572 N/A CYS 128.A SG VAL 129.A O no hydrogen 3.508 N/A ASN 130.A N TYR 121.A O no hydrogen 2.912 N/A VAL 132.A N ARG 119.A O no hydrogen 2.838 N/A TYR 136.A N PRO 133.A O no hydrogen 3.013 N/A TYR 136.A OH GLU 154.A OE2 no hydrogen 2.394 N/A PHE 137.A N PRO 134.A O no hydrogen 3.380 N/A ASP 141.A N ARG 145.A O no hydrogen 2.957 N/A ARG 146.A NH1 TYR 136.A O no hydrogen 2.709 N/A HIS 149.A N ARG 146.A O no hydrogen 3.051 N/A GLU 151.A N ASP 148.A O no hydrogen 2.836 N/A LYS 152.A N ASP 148.A O no hydrogen 2.732 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.654 N/A LEU 155.A N LYS 152.A O no hydrogen 2.959 N/A SER 156.A N PRO 153.A O no hydrogen 3.292 N/A LEU 157.A N PRO 153.A O no hydrogen 2.892 N/A GLY 158.A N ASP 41.A OD1 no hydrogen 3.066 N/A GLY 158.A N ASP 41.A OD2 no hydrogen 3.190 N/A SER 159.A N ASP 41.A OD2 no hydrogen 3.289 N/A TYR 160.A N ILE 500.A O no hydrogen 3.346 N/A TYR 160.A OH MET 108.A O no hydrogen 2.586 N/A GLU 161.A N TYR 89.A O no hydrogen 2.853 N/A TYR 162.A N LEU 498.A O no hydrogen 2.571 N/A TYR 162.A OH MET 108.A O no hydrogen 2.972 N/A VAL 163.A N VAL 91.A O no hydrogen 2.921 N/A ALA 164.A N ARG 496.A O no hydrogen 3.299 N/A TYR 168.A N THR 165.A O no hydrogen 2.797 N/A CYS 169.A N LEU 166.A O no hydrogen 3.065 N/A ARG 170.A NE ASP 426.A OD2 no hydrogen 2.751 N/A ARG 170.A NH2 ASP 426.A OD1 no hydrogen 2.992 N/A ARG 170.A NH2 ASP 426.A OD2 no hydrogen 3.433 N/A SER 172.A N CYS 169.A O no hydrogen 3.009 N/A LYS 173.A N ARG 170.A O no hydrogen 3.182 N/A ASN 176.A ND2 ASP 310.A O no hydrogen 2.582 N/A ALA 179.A N PRO 312.A O no hydrogen 3.226 N/A PHE 180.A N ARG 222.A O no hydrogen 2.901 N/A ILE 181.A N LYS 314.A O no hydrogen 3.099 N/A PHE 182.A N GLY 224.A O no hydrogen 2.823 N/A MET 183.A N PHE 316.A O no hydrogen 3.007 N/A ILE 184.A N ILE 226.A O no hydrogen 3.069 N/A ASP 185.A N PHE 318.A O no hydrogen 2.681 N/A VAL 186.A N TYR 228.A O no hydrogen 2.780 N/A SER 187.A N ASP 185.A OD1 no hydrogen 3.126 N/A SER 187.A OG ASP 185.A OD1 no hydrogen 3.531 N/A SER 187.A OG SER 320.A OG no hydrogen 3.071 N/A TYR 188.A N GLU 290.A O no hydrogen 2.680 N/A ASN 190.A ND2 ASP 185.A O no hydrogen 3.289 N/A ILE 191.A N SER 187.A O no hydrogen 3.133 N/A LYS 192.A N TYR 188.A O no hydrogen 2.906 N/A ASN 193.A N SER 189.A O no hydrogen 3.262 N/A GLY 194.A N ILE 191.A O no hydrogen 3.227 N/A LEU 195.A N ASN 193.A OD1 no hydrogen 3.242 N/A VAL 196.A N ASN 190.A O no hydrogen 3.214 N/A ILE 199.A N LEU 195.A O no hydrogen 3.155 N/A CYS 200.A N VAL 196.A O no hydrogen 3.102 N/A CYS 200.A SG VAL 196.A O no hydrogen 2.900 N/A GLU 201.A N LYS 197.A O no hydrogen 2.372 N/A GLU 202.A N LEU 198.A O no hydrogen 2.532 N/A LEU 203.A N ILE 199.A O no hydrogen 2.553 N/A LYS 204.A N CYS 200.A O no hydrogen 3.389 N/A LYS 204.A NZ ASP 279.A OD1 no hydrogen 2.394 N/A MET 206.A N GLU 202.A O no hydrogen 3.289 N/A LEU 207.A N LEU 203.A O no hydrogen 3.179 N/A LYS 209.A N MET 206.A O no hydrogen 2.911 N/A ILE 210.A N LEU 207.A O no hydrogen 2.992 N/A LYS 212.A NZ GLU 216.A O no hydrogen 2.563 N/A LYS 212.A NZ GLU 217.A O no hydrogen 3.425 N/A GLU 213.A N GLU 216.A OE2 no hydrogen 3.192 N/A GLU 216.A N GLU 213.A O no hydrogen 3.422 N/A SER 219.A OG PRO 211.A O no hydrogen 2.497 N/A VAL 223.A N VAL 265.A O no hydrogen 2.899 N/A GLY 224.A N PHE 180.A O no hydrogen 2.809 N/A ILE 226.A N PHE 182.A O no hydrogen 2.900 N/A THR 227.A N HIS 233.A O no hydrogen 3.048 N/A THR 227.A OG1 HIS 233.A ND1 no hydrogen 3.204 N/A TYR 228.A N ILE 184.A O no hydrogen 3.120 N/A TYR 228.A OH HIS 319.A ND1 no hydrogen 2.824 N/A ASN 229.A N VAL 231.A O no hydrogen 3.119 N/A LEU 232.A N VAL 249.A O no hydrogen 3.329 N/A HIS 233.A N THR 227.A O no hydrogen 2.755 N/A HIS 233.A ND1 THR 227.A O no hydrogen 3.090 N/A PHE 234.A N MET 247.A O no hydrogen 2.896 N/A ASN 236.A N GLN 245.A O no hydrogen 3.139 N/A ASN 236.A ND2 GLN 245.A OE1 no hydrogen 3.138 N/A VAL 237.A N GLY 262.A O no hydrogen 2.694 N/A LYS 238.A N ASN 236.A OD1 no hydrogen 3.099 N/A ASN 240.A ND2 ASN 240.A O no hydrogen 2.500 N/A GLN 245.A N ASN 236.A O no hydrogen 3.250 N/A MET 247.A N PHE 234.A O no hydrogen 3.233 N/A VAL 249.A N LEU 232.A O no hydrogen 2.847 N/A VAL 252.A N THR 250.A O no hydrogen 2.852 N/A VAL 265.A N VAL 223.A O no hydrogen 3.074 N/A TYR 267.A OH HIS 275.A NE2 no hydrogen 2.996 N/A GLU 269.A N ASN 266.A O no hydrogen 3.206 N/A SER 270.A N ASN 266.A O no hydrogen 3.028 N/A SER 270.A OG VAL 237.A O no hydrogen 3.264 N/A SER 270.A OG ASN 266.A O no hydrogen 3.167 N/A ILE 274.A N SER 270.A O no hydrogen 2.912 N/A HIS 275.A N GLN 271.A O no hydrogen 3.015 N/A ASN 276.A N SER 272.A O no hydrogen 3.108 N/A LEU 277.A N VAL 273.A O no hydrogen 3.220 N/A LEU 278.A N ILE 274.A O no hydrogen 2.887 N/A ASP 279.A N HIS 275.A O no hydrogen 2.919 N/A GLN 280.A N LEU 277.A O no hydrogen 2.998 N/A GLN 280.A NE2 ASN 276.A O no hydrogen 3.676 N/A ILE 281.A N LEU 277.A O no hydrogen 3.179 N/A MET 284.A N GLN 280.A O no hydrogen 2.803 N/A PHE 285.A N ILE 281.A O no hydrogen 3.351 N/A ALA 286.A N ASP 283.A O no hydrogen 3.167 N/A SER 288.A N PHE 285.A O no hydrogen 3.110 N/A GLU 290.A N SER 288.A OG no hydrogen 3.400 N/A VAL 298.A N PHE 295.A O no hydrogen 2.754 N/A ILE 299.A N PHE 295.A O no hydrogen 3.444 N/A GLN 300.A N ALA 296.A O no hydrogen 2.859 N/A GLN 300.A NE2 GLU 304.A OE1 no hydrogen 3.433 N/A ALA 301.A N PRO 297.A O no hydrogen 2.773 N/A ALA 301.A N VAL 298.A O no hydrogen 3.226 N/A GLY 302.A N VAL 298.A O no hydrogen 3.093 N/A MET 303.A N ILE 299.A O no hydrogen 3.017 N/A GLU 304.A N GLN 300.A O no hydrogen 3.280 N/A ALA 305.A N ALA 301.A O no hydrogen 2.804 N/A LEU 306.A N GLY 302.A O no hydrogen 3.282 N/A LYS 307.A N MET 303.A O no hydrogen 3.068 N/A ALA 308.A N GLU 304.A O no hydrogen 2.936 N/A ALA 309.A N ALA 305.A O no hydrogen 3.046 N/A ASP 310.A N LYS 307.A O no hydrogen 3.110 N/A CYS 311.A N LEU 306.A O no hydrogen 3.138 N/A CYS 311.A SG LEU 306.A O no hydrogen 4.035 N/A CYS 311.A SG PRO 312.A O no hydrogen 3.288 N/A GLY 313.A N GLY 367.A O no hydrogen 2.994 N/A LYS 314.A N ALA 179.A O no hydrogen 2.968 N/A LYS 314.A NZ ASP 418.A O no hydrogen 3.215 N/A LYS 314.A NZ ASP 418.A OD2 no hydrogen 2.403 N/A LEU 315.A N SER 369.A O no hydrogen 2.617 N/A PHE 316.A N ILE 181.A O no hydrogen 2.826 N/A ILE 317.A N THR 371.A O no hydrogen 2.951 N/A PHE 318.A N MET 183.A O no hydrogen 2.847 N/A HIS 319.A N PHE 373.A O no hydrogen 2.994 N/A HIS 319.A ND1 TYR 228.A OH no hydrogen 2.824 N/A SER 320.A N ASP 185.A OD2 no hydrogen 2.991 N/A SER 320.A OG ASP 185.A OD2 no hydrogen 2.476 N/A SER 320.A OG SER 187.A OG no hydrogen 3.071 N/A ALA 325.A N THR 293.A O no hydrogen 3.137 N/A LYS 330.A N ALA 327.A O no hydrogen 3.232 N/A LYS 330.A NZ THR 324.A O no hydrogen 3.036 N/A LEU 331.A N PRO 323.A O no hydrogen 3.276 N/A LYS 332.A N GLN 352.A OE1 no hydrogen 3.024 N/A THR 342.A OG1 LYS 338.A O no hydrogen 2.462 N/A THR 342.A OG1 LEU 339.A O no hydrogen 3.173 N/A ILE 347.A N LYS 344.A O no hydrogen 2.877 N/A LEU 348.A N GLU 345.A O no hydrogen 2.999 N/A GLN 350.A N ILE 347.A O no hydrogen 2.839 N/A GLN 352.A N SER 384.A OG no hydrogen 3.290 N/A GLN 352.A NE2 LYS 332.A O no hydrogen 2.996 N/A GLN 352.A NE2 ASP 381.A OD2 no hydrogen 2.673 N/A TYR 356.A OH GLY 329.A O no hydrogen 2.991 N/A SER 358.A OG ASN 354.A O no hydrogen 3.548 N/A LEU 359.A N VAL 355.A O no hydrogen 2.591 N/A ALA 360.A N TYR 356.A O no hydrogen 2.988 N/A LYS 361.A N ASP 357.A O no hydrogen 2.826 N/A ASP 362.A N SER 358.A O no hydrogen 2.945 N/A CYS 363.A N LEU 359.A O no hydrogen 3.124 N/A CYS 363.A SG LEU 359.A O no hydrogen 3.491 N/A VAL 364.A N ALA 360.A O no hydrogen 3.195 N/A ALA 365.A N LYS 361.A O no hydrogen 2.999 N/A HIS 366.A N ASP 362.A O no hydrogen 3.168 N/A HIS 366.A N CYS 363.A O no hydrogen 3.129 N/A GLY 367.A N VAL 364.A O no hydrogen 3.281 N/A CYS 368.A N CYS 363.A O no hydrogen 2.706 N/A SER 369.A N GLY 313.A O no hydrogen 3.164 N/A SER 369.A OG THR 392.A O no hydrogen 3.123 N/A VAL 370.A N THR 392.A OG1 no hydrogen 3.177 N/A THR 371.A N LEU 315.A O no hydrogen 2.804 N/A LEU 372.A N THR 395.A O no hydrogen 3.134 N/A PHE 373.A N ILE 317.A O no hydrogen 2.773 N/A LEU 374.A N TYR 397.A O no hydrogen 2.578 N/A PHE 375.A N HIS 319.A O no hydrogen 3.015 N/A VAL 380.A N ASP 602.A OD2 no hydrogen 3.105 N/A VAL 382.A N ASP 602.A OD1 no hydrogen 3.312 N/A SER 384.A N ASP 381.A O no hydrogen 2.898 N/A SER 384.A OG ASP 381.A OD2 no hydrogen 2.291 N/A LEU 385.A N ASP 381.A O no hydrogen 3.049 N/A GLY 386.A N VAL 382.A O no hydrogen 3.107 N/A GLN 390.A N GLY 386.A O no hydrogen 3.037 N/A GLN 390.A NE2 GLY 444.A O no hydrogen 3.626 N/A LEU 391.A N LEU 387.A O no hydrogen 3.032 N/A THR 392.A N VAL 388.A O no hydrogen 2.927 N/A THR 392.A OG1 VAL 388.A O no hydrogen 2.557 N/A THR 392.A OG1 PRO 389.A O no hydrogen 3.195 N/A GLY 393.A N GLN 390.A O no hydrogen 2.861 N/A THR 395.A OG1 ASP 418.A OD1 no hydrogen 3.069 N/A TYR 397.A N LEU 372.A O no hydrogen 2.849 N/A TYR 397.A OH ASP 418.A OD1 no hydrogen 3.334 N/A LYS 398.A NZ GLU 603.A OE1 no hydrogen 3.360 N/A TYR 399.A N LEU 374.A O no hydrogen 2.946 N/A TYR 399.A OH ASP 414.A OD2 no hydrogen 2.892 N/A ASN 401.A N PRO 376.A O no hydrogen 2.902 N/A HIS 405.A NE2 GLN 403.A OE1 no hydrogen 3.094 N/A LEU 406.A N GLN 403.A O no hydrogen 3.148 N/A ASP 407.A N GLN 403.A O no hydrogen 2.860 N/A ARG 408.A N MET 404.A O no hydrogen 3.344 N/A PHE 411.A N ASP 407.A O no hydrogen 3.097 N/A LEU 412.A N ARG 408.A O no hydrogen 2.948 N/A ASN 413.A N GLN 409.A O no hydrogen 3.094 N/A ASN 413.A ND2 GLN 409.A OE1 no hydrogen 3.360 N/A ASP 414.A N GLN 410.A O no hydrogen 3.138 N/A LEU 415.A N PHE 411.A O no hydrogen 2.922 N/A ARG 416.A N LEU 412.A O no hydrogen 2.845 N/A ASN 417.A N ASN 413.A O no hydrogen 3.091 N/A ASP 418.A N ASP 414.A O no hydrogen 3.179 N/A ILE 419.A N LEU 415.A O no hydrogen 3.250 N/A GLU 420.A N ARG 416.A O no hydrogen 3.231 N/A LYS 421.A NZ ASP 460.A OD2 no hydrogen 2.815 N/A LYS 421.A NZ ASP 462.A OD2 no hydrogen 3.429 N/A GLY 424.A N ILE 459.A O no hydrogen 3.010 N/A PHE 425.A N THR 490.A O no hydrogen 2.784 N/A ASP 426.A N ALA 457.A O no hydrogen 2.525 N/A ALA 427.A N MET 456.A O no hydrogen 2.721 N/A ILE 428.A N LEU 488.A O no hydrogen 2.869 N/A MET 429.A N VAL 454.A O no hydrogen 2.588 N/A ARG 430.A N ALA 486.A O no hydrogen 2.830 N/A ARG 432.A N GLN 484.A O no hydrogen 2.994 N/A THR 433.A OG1 SER 434.A O no hydrogen 3.510 N/A THR 433.A OG1 PHE 437.A O no hydrogen 2.283 N/A SER 434.A N LEU 482.A O no hydrogen 3.270 N/A THR 435.A OG1 PHE 125.A O no hydrogen 2.624 N/A ARG 438.A N LYS 470.A O no hydrogen 3.313 N/A THR 440.A N GLU 468.A O no hydrogen 2.742 N/A THR 440.A OG1 GLU 468.A O no hydrogen 3.479 N/A ASP 441.A N GLU 468.A O no hydrogen 3.336 N/A PHE 443.A N THR 466.A O no hydrogen 2.671 N/A LEU 447.A N GLU 455.A O no hydrogen 3.198 N/A ASN 450.A ND2 ASP 453.A OD2 no hydrogen 2.865 N/A THR 452.A N ASN 450.A OD1 no hydrogen 2.940 N/A ASP 453.A N ASN 450.A OD1 no hydrogen 2.732 N/A VAL 454.A N MET 429.A O no hydrogen 2.722 N/A GLU 455.A N LEU 447.A O no hydrogen 3.087 N/A MET 456.A N ALA 427.A O no hydrogen 2.717 N/A ALA 458.A N THR 392.A O no hydrogen 3.286 N/A ILE 459.A N GLY 424.A O no hydrogen 3.094 N/A CYS 461.A SG ASP 462.A OD1 no hydrogen 3.720 N/A ASP 462.A N ASP 460.A OD1 no hydrogen 2.786 N/A LYS 463.A N ASP 460.A OD1 no hydrogen 2.711 N/A LYS 463.A NZ ASP 460.A OD1 no hydrogen 3.171 N/A LYS 463.A NZ ASP 460.A OD2 no hydrogen 3.131 N/A ALA 464.A N THR 613.A O no hydrogen 3.024 N/A VAL 465.A N ILE 75.A O no hydrogen 2.754 N/A THR 466.A N PHE 443.A O no hydrogen 2.708 N/A THR 466.A OG1 ASN 525.A OD1 no hydrogen 2.948 N/A VAL 467.A N ALA 73.A O no hydrogen 2.860 N/A GLU 468.A N ASP 441.A O no hydrogen 2.786 N/A PHE 469.A N LEU 71.A O no hydrogen 3.065 N/A LYS 470.A N ARG 438.A O no hydrogen 3.150 N/A LYS 470.A NZ GLU 468.A OE2 no hydrogen 3.514 N/A HIS 471.A NE2 PRO 58.A O no hydrogen 2.693 N/A ASP 472.A N GLY 436.A O no hydrogen 2.696 N/A ASP 473.A N GLY 436.A O no hydrogen 2.990 N/A LYS 474.A N ASP 473.A OD1 no hydrogen 2.374 N/A LEU 475.A N CYS 59.A O no hydrogen 2.919 N/A SER 479.A N SER 476.A OG no hydrogen 3.044 N/A SER 479.A OG SER 476.A OG no hydrogen 2.215 N/A GLY 480.A N SER 476.A O no hydrogen 2.634 N/A ALA 481.A N LEU 505.A O no hydrogen 2.770 N/A LEU 482.A N SER 434.A OG no hydrogen 3.047 N/A ILE 483.A N LEU 503.A O no hydrogen 2.821 N/A GLN 484.A N ARG 432.A O no hydrogen 2.804 N/A GLN 484.A NE2 TYR 107.A O no hydrogen 3.136 N/A GLN 484.A NE2 ASN 502.A OD1 no hydrogen 2.608 N/A CYS 485.A N HIS 501.A O no hydrogen 2.701 N/A ALA 486.A N ARG 430.A O no hydrogen 2.913 N/A VAL 487.A N ARG 499.A O no hydrogen 2.980 N/A LEU 488.A N ILE 428.A O no hydrogen 3.095 N/A TYR 489.A N ARG 497.A O no hydrogen 2.948 N/A TYR 489.A OH GLU 161.A OE2 no hydrogen 2.989 N/A THR 490.A N PHE 425.A O no hydrogen 2.802 N/A THR 491.A N GLN 495.A O no hydrogen 2.969 N/A THR 491.A OG1 SER 493.A OG no hydrogen 3.296 N/A THR 491.A OG1 GLN 495.A O no hydrogen 3.182 N/A SER 493.A OG GLU 213.A OE1 no hydrogen 3.035 N/A SER 493.A OG GLU 213.A OE2 no hydrogen 3.406 N/A SER 493.A OG THR 491.A OG1 no hydrogen 3.296 N/A GLY 494.A N THR 491.A O no hydrogen 2.979 N/A GLN 495.A N THR 491.A OG1 no hydrogen 3.082 N/A ARG 496.A NE TYR 168.A O no hydrogen 2.908 N/A ARG 496.A NH1 ASP 426.A O no hydrogen 3.356 N/A ARG 497.A N TYR 489.A O no hydrogen 2.939 N/A LEU 498.A N TYR 162.A O no hydrogen 2.948 N/A ARG 499.A N VAL 487.A O no hydrogen 3.064 N/A ARG 499.A NE GLU 161.A OE2 no hydrogen 2.908 N/A ARG 499.A NH1 PRO 77.A O no hydrogen 3.186 N/A ARG 499.A NH2 GLU 161.A OE2 no hydrogen 3.534 N/A ILE 500.A N TYR 160.A O no hydrogen 2.913 N/A HIS 501.A N CYS 485.A O no hydrogen 2.773 N/A ASN 502.A N GLY 158.A O no hydrogen 2.816 N/A ASN 502.A ND2 GLY 158.A O no hydrogen 2.950 N/A ASN 502.A ND2 TYR 160.A OH no hydrogen 3.396 N/A LEU 503.A N ILE 483.A O no hydrogen 2.807 N/A LEU 505.A N ALA 481.A O no hydrogen 2.562 N/A ASN 506.A N TYR 55.A O no hydrogen 3.472 N/A CYS 507.A SG PHE 57.A O no hydrogen 3.590 N/A SER 508.A N PHE 57.A O no hydrogen 3.395 N/A SER 508.A OG GLU 477.A OE2 no hydrogen 3.486 N/A SER 508.A OG ASP 513.A OD2 no hydrogen 2.598 N/A SER 509.A N GLU 477.A OE1 no hydrogen 3.425 N/A SER 509.A OG GLU 477.A OE1 no hydrogen 3.512 N/A GLN 510.A N SER 508.A OG no hydrogen 3.180 N/A ASP 513.A N GLN 510.A O no hydrogen 3.225 N/A TYR 515.A N LEU 511.A O no hydrogen 3.166 N/A TYR 515.A OH MET 554.A O no hydrogen 2.940 N/A LYS 516.A N ALA 512.A O no hydrogen 2.875 N/A SER 517.A N LEU 514.A O no hydrogen 3.472 N/A SER 517.A OG ASP 513.A O no hydrogen 3.298 N/A CYS 518.A SG THR 54.A OG1 no hydrogen 2.735 N/A CYS 518.A SG LEU 514.A O no hydrogen 3.293 N/A GLU 519.A N THR 53.A O no hydrogen 2.849 N/A THR 520.A OG1 SER 576.A O no hydrogen 2.523 N/A LEU 523.A N GLU 519.A O no hydrogen 3.015 N/A ILE 524.A N THR 520.A O no hydrogen 2.705 N/A ASN 525.A N ASP 521.A O no hydrogen 3.232 N/A ASN 525.A ND2 MET 614.A O no hydrogen 3.536 N/A ASN 525.A ND2 SER 619.A OG no hydrogen 2.942 N/A PHE 526.A N ALA 522.A O no hydrogen 3.084 N/A PHE 527.A N LEU 523.A O no hydrogen 3.186 N/A ALA 528.A N ILE 524.A O no hydrogen 3.053 N/A LYS 529.A N ASN 525.A O no hydrogen 3.258 N/A LYS 529.A NZ ALA 464.A O no hydrogen 3.279 N/A LYS 529.A NZ THR 466.A OG1 no hydrogen 2.897 N/A LYS 529.A NZ MET 612.A O no hydrogen 3.410 N/A LYS 529.A NZ MET 614.A O no hydrogen 2.929 N/A SER 530.A N PHE 526.A O no hydrogen 2.736 N/A ALA 531.A N PHE 527.A O no hydrogen 2.909 N/A PHE 532.A N ALA 528.A O no hydrogen 2.597 N/A LYS 533.A N LYS 529.A O no hydrogen 2.912 N/A LYS 533.A NZ PHE 442.A O no hydrogen 3.543 N/A ALA 534.A N SER 530.A O no hydrogen 3.033 N/A VAL 535.A N PHE 532.A O no hydrogen 3.277 N/A LEU 536.A N LYS 533.A O no hydrogen 3.331 N/A HIS 537.A N ALA 534.A O no hydrogen 3.018 N/A GLN 538.A N ALA 534.A O no hydrogen 3.065 N/A VAL 542.A N PRO 539.A O no hydrogen 3.076 N/A ILE 543.A N PRO 539.A O no hydrogen 3.107 N/A ARG 544.A N LEU 540.A O no hydrogen 2.934 N/A ARG 544.A NH1 LEU 593.A O no hydrogen 2.930 N/A ILE 546.A N VAL 542.A O no hydrogen 3.058 N/A LEU 547.A N ILE 543.A O no hydrogen 3.043 N/A VAL 548.A N ARG 544.A O no hydrogen 2.935 N/A ASN 549.A N GLU 545.A O no hydrogen 2.840 N/A GLN 550.A N ILE 546.A O no hydrogen 2.875 N/A THR 551.A N LEU 547.A O no hydrogen 3.028 N/A THR 551.A OG1 LEU 547.A O no hydrogen 3.091 N/A ALA 552.A N VAL 548.A O no hydrogen 2.954 N/A HIS 553.A N ASN 549.A O no hydrogen 2.913 N/A MET 554.A N GLN 550.A O no hydrogen 3.017 N/A MET 554.A N THR 551.A O no hydrogen 3.116 N/A LEU 555.A N THR 551.A O no hydrogen 3.077 N/A ALA 556.A N ALA 552.A O no hydrogen 2.820 N/A CYS 557.A N HIS 553.A O no hydrogen 3.464 N/A CYS 557.A SG TYR 515.A OH no hydrogen 3.347 N/A CYS 557.A SG ASN 561.A OD1 no hydrogen 3.508 N/A TYR 558.A N MET 554.A O no hydrogen 3.299 N/A ARG 559.A N LEU 555.A O no hydrogen 2.911 N/A ARG 559.A NH1 GLN 570.A O no hydrogen 2.451 N/A LYS 560.A N ALA 556.A O no hydrogen 2.740 N/A CYS 562.A N TYR 558.A O no hydrogen 3.123 N/A ALA 563.A N TYR 558.A O no hydrogen 3.332 N/A GLN 570.A N ALA 567.A O no hydrogen 3.326 N/A SER 576.A OG TYR 515.A O no hydrogen 2.558 N/A MET 577.A N PRO 574.A O no hydrogen 3.103 N/A TYR 583.A N VAL 579.A O no hydrogen 3.134 N/A MET 584.A N LEU 580.A O no hydrogen 2.927 N/A ASN 585.A N PRO 581.A O no hydrogen 2.951 N/A ASN 585.A ND2 SER 749.A O no hydrogen 3.539 N/A CYS 586.A N VAL 582.A O no hydrogen 3.045 N/A CYS 586.A SG VAL 582.A O no hydrogen 3.181 N/A CYS 586.A SG VAL 743.A O no hydrogen 3.925 N/A LEU 587.A N TYR 583.A O no hydrogen 3.009 N/A LEU 588.A N MET 584.A O no hydrogen 3.205 N/A LYS 589.A N CYS 586.A O no hydrogen 3.049 N/A LYS 589.A NZ ASN 585.A OD1 no hydrogen 3.273 N/A LYS 589.A NZ VAL 743.A O no hydrogen 2.397 N/A LYS 589.A NZ ASP 745.A O no hydrogen 2.803 N/A ASN 590.A N LEU 587.A O no hydrogen 3.312 N/A ASN 590.A ND2 GLN 607.A OE1 no hydrogen 3.121 N/A VAL 592.A N ASN 590.A OD1 no hydrogen 3.398 N/A LEU 593.A N ASN 590.A O no hydrogen 2.906 N/A LEU 594.A N CYS 591.A O no hydrogen 3.230 N/A ILE 599.A N ARG 596.A O no hydrogen 3.308 N/A THR 601.A OG1 ASP 335.A OD1 no hydrogen 2.490 N/A THR 601.A OG1 ASP 335.A OD2 no hydrogen 3.421 N/A GLU 603.A N SER 600.A OG no hydrogen 2.919 N/A ARG 604.A N SER 600.A O no hydrogen 3.185 N/A ARG 604.A NH1 CYS 591.A O no hydrogen 2.928 N/A ARG 604.A NH2 GLU 345.A OE2 no hydrogen 2.511 N/A ALA 605.A N THR 601.A O no hydrogen 2.909 N/A TYR 606.A N ASP 602.A O no hydrogen 2.753 N/A GLN 607.A N GLU 603.A O no hydrogen 3.213 N/A GLN 607.A NE2 GLU 603.A OE2 no hydrogen 2.770 N/A ARG 608.A N ARG 604.A O no hydrogen 3.075 N/A ARG 608.A NE PHE 532.A O no hydrogen 3.169 N/A GLN 609.A N ALA 605.A O no hydrogen 3.161 N/A GLN 609.A N TYR 606.A O no hydrogen 3.192 N/A LEU 610.A N TYR 606.A O no hydrogen 2.938 N/A VAL 611.A N GLN 607.A O no hydrogen 3.120 N/A THR 613.A N LEU 610.A O no hydrogen 3.299 N/A MET 614.A N VAL 611.A O no hydrogen 2.916 N/A ASP 618.A N GLY 615.A O no hydrogen 3.078 N/A SER 619.A N GLY 615.A O no hydrogen 2.778 N/A SER 619.A OG GLY 615.A O no hydrogen 3.129 N/A SER 619.A OG VAL 616.A O no hydrogen 3.270 N/A GLN 620.A N VAL 616.A O no hydrogen 3.062 N/A PHE 622.A N ASP 618.A O no hydrogen 3.073 N/A TYR 624.A N GLN 620.A O no hydrogen 3.057 N/A TYR 624.A OH GLU 744.A OE2 no hydrogen 3.037 N/A GLN 626.A N ALA 660.A O no hydrogen 2.889 N/A LEU 628.A N LEU 658.A O no hydrogen 3.010 N/A ILE 630.A N ILE 656.A O no hydrogen 2.571 N/A THR 632.A OG1 THR 632.A O no hydrogen 2.502 N/A LEU 633.A N ILE 630.A O no hydrogen 3.317 N/A SER 637.A OG ASP 634.A OD1 no hydrogen 2.798 N/A SER 637.A OG ASP 634.A OD2 no hydrogen 2.750 N/A THR 638.A OG1 GLN 707.A OE1 no hydrogen 2.621 N/A CYS 646.A N TYR 624.A OH no hydrogen 3.040 N/A CYS 646.A SG PRO 625.A O no hydrogen 3.250 N/A SER 647.A OG SER 649.A OG no hydrogen 2.733 N/A SER 647.A OG ASP 745.A OD1 no hydrogen 2.898 N/A GLU 648.A N ASP 745.A OD2 no hydrogen 3.103 N/A SER 649.A N SER 647.A OG no hydrogen 3.076 N/A SER 649.A OG SER 647.A OG no hydrogen 2.733 N/A ARG 650.A N SER 647.A O no hydrogen 3.253 N/A LEU 651.A N GLU 648.A O no hydrogen 3.179 N/A SER 652.A OG GLU 654.A OE1 no hydrogen 3.221 N/A GLU 654.A N SER 652.A OG no hydrogen 3.210 N/A GLY 655.A N SER 652.A O no hydrogen 2.866 N/A ILE 656.A N HIS 631.A ND1 no hydrogen 3.147 N/A PHE 657.A N TRP 668.A O no hydrogen 3.122 N/A LEU 658.A N LEU 628.A O no hydrogen 2.843 N/A LEU 659.A N PHE 666.A O no hydrogen 2.941 N/A ALA 660.A N GLN 626.A O no hydrogen 3.093 N/A ASN 661.A N HIS 664.A O no hydrogen 3.345 N/A LEU 663.A N ASN 661.A OD1 no hydrogen 3.308 N/A HIS 664.A N ASN 661.A OD1 no hydrogen 3.216 N/A MET 665.A N LYS 724.A O no hydrogen 3.234 N/A PHE 666.A N LEU 659.A O no hydrogen 2.599 N/A LEU 667.A N THR 726.A O no hydrogen 3.127 N/A TRP 668.A N PHE 657.A O no hydrogen 3.011 N/A LEU 669.A N VAL 728.A O no hydrogen 3.063 N/A GLY 670.A N GLY 655.A O no hydrogen 3.182 N/A VAL 671.A N GLN 730.A OE1 no hydrogen 2.372 N/A SER 673.A N GLY 670.A O no hydrogen 3.141 N/A LEU 677.A N PRO 674.A O no hydrogen 2.912 N/A ILE 678.A N PRO 674.A O no hydrogen 3.293 N/A GLN 679.A N PRO 675.A O no hydrogen 3.029 N/A GLN 679.A NE2 PRO 685.A O no hydrogen 3.254 N/A GLY 680.A N GLU 676.A O no hydrogen 3.224 N/A PHE 682.A N ILE 678.A O no hydrogen 2.965 N/A ASN 683.A N GLN 679.A O no hydrogen 2.998 N/A HIS 689.A N SER 686.A O no hydrogen 3.465 N/A ILE 690.A N PHE 687.A O no hydrogen 3.346 N/A ASP 693.A N ASN 691.A OD1 no hydrogen 3.047 N/A MET 694.A N ASN 691.A O no hydrogen 3.229 N/A THR 695.A OG1 THR 692.A O no hydrogen 2.820 N/A SER 705.A N GLY 680.A O no hydrogen 3.224 N/A LEU 708.A N TYR 704.A O no hydrogen 2.660 N/A ARG 709.A N SER 705.A O no hydrogen 2.836 N/A MET 710.A N GLN 706.A O no hydrogen 2.810 N/A ILE 711.A N GLN 707.A O no hydrogen 3.251 N/A MET 712.A N LEU 708.A O no hydrogen 3.161 N/A GLY 713.A N ARG 709.A O no hydrogen 3.151 N/A ILE 714.A N MET 710.A O no hydrogen 3.224 N/A ILE 715.A N ILE 711.A O no hydrogen 3.084 N/A GLN 716.A N MET 712.A O no hydrogen 3.184 N/A GLN 716.A NE2 GLN 716.A O no hydrogen 3.258 N/A GLN 716.A NE2 ARG 719.A O no hydrogen 3.383 N/A GLN 716.A NE2 TYR 721.A O no hydrogen 2.924 N/A ARG 719.A N GLN 716.A O no hydrogen 2.938 N/A ARG 719.A NH1 ALA 617.A O no hydrogen 3.466 N/A ARG 719.A NH1 ASP 618.A OD1 no hydrogen 3.406 N/A SER 722.A N ASP 414.A OD1 no hydrogen 2.994 N/A SER 722.A OG GLN 410.A O no hydrogen 3.109 N/A SER 722.A OG ASP 414.A OD1 no hydrogen 3.309 N/A SER 722.A OG ASP 414.A OD2 no hydrogen 3.488 N/A MET 723.A N GLN 716.A OE1 no hydrogen 3.171 N/A LYS 724.A N LEU 663.A O no hydrogen 3.085 N/A THR 726.A N MET 665.A O no hydrogen 2.933 N/A THR 726.A OG1 LYS 724.A O no hydrogen 3.531 N/A VAL 728.A N LEU 667.A O no hydrogen 2.975 N/A LYS 729.A NZ PHE 687.A O no hydrogen 3.041 N/A LYS 729.A NZ ILE 690.A O no hydrogen 3.009 N/A GLN 733.A NE2 ARG 731.A O no hydrogen 2.631 N/A GLU 735.A N GLN 733.A O no hydrogen 2.466 N/A ARG 739.A N GLU 735.A O no hydrogen 2.684 N/A ARG 739.A NH2 GLU 735.A OE1 no hydrogen 2.718 N/A PHE 741.A N PHE 738.A O no hydrogen 2.947 N/A LEU 742.A N ARG 739.A O no hydrogen 3.206 N/A GLU 744.A N CYS 646.A O no hydrogen 3.231 N/A ASP 745.A N LEU 742.A O no hydrogen 3.444 N/A SER 750.A N ASP 753.A OD2 no hydrogen 3.313 N/A SER 750.A OG ASP 753.A OD2 no hydrogen 2.894 N/A PHE 754.A N SER 750.A O no hydrogen 3.099 N/A LEU 755.A N TYR 751.A O no hydrogen 2.952 N/A CYS 756.A N VAL 752.A O no hydrogen 3.230 N/A CYS 757.A N ASP 753.A O no hydrogen 2.880 N/A VAL 758.A N PHE 754.A O no hydrogen 2.659 N/A HIS 759.A N LEU 755.A O no hydrogen 2.968 N/A LYS 760.A N CYS 756.A O no hydrogen 3.324 N/A ILE 762.A N VAL 758.A O no hydrogen 2.816 N/A CYS 763.A N HIS 759.A O no hydrogen 3.362 N/A CYS 763.A SG HIS 759.A NE2 no hydrogen 3.903 N/A CYS 763.A SG HIS 759.A O no hydrogen 3.391 N/A GLN 764.A N LYS 760.A O no hydrogen 2.795 N/A LEU 765.A N GLU 761.A O no hydrogen 3.393 N/A