Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nyq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N PHE 13.A O no hydrogen 3.004 N/A ILE 3.A N LYS 11.A O no hydrogen 3.036 N/A GLN 4.A N GLY 54.A O no hydrogen 3.124 N/A GLN 4.A NE2 ASP 7.A O no hydrogen 3.325 N/A GLN 4.A NE2 ASN 9.A O no hydrogen 3.450 N/A PHE 5.A N ASN 9.A O no hydrogen 3.038 N/A LYS 11.A N ILE 3.A O no hydrogen 2.893 N/A THR 17.A OG1 ASP 14.A O no hydrogen 2.760 N/A THR 18.A N ASP 21.A OD2 no hydrogen 2.857 N/A THR 18.A OG1 ASP 21.A OD2 no hydrogen 2.631 N/A GLU 20.A N LEU 46.A O no hydrogen 2.501 N/A ASP 21.A N THR 18.A OG1 no hydrogen 2.864 N/A ILE 22.A N THR 18.A O no hydrogen 2.855 N/A ALA 23.A N THR 19.A O no hydrogen 2.856 N/A GLN 24.A N GLU 20.A O no hydrogen 2.796 N/A SER 25.A N ASP 21.A O no hydrogen 2.790 N/A SER 25.A OG ILE 22.A O no hydrogen 2.478 N/A ILE 26.A N ILE 22.A O no hydrogen 3.038 N/A SER 27.A N ALA 23.A O no hydrogen 2.739 N/A ARG 31.A N SER 27.A O no hydrogen 3.061 N/A LYS 32.A N PRO 28.A O no hydrogen 2.894 N/A LYS 33.A N ARG 31.A O no hydrogen 2.472 N/A ALA 34.A N LEU 30.A O no hydrogen 3.227 N/A ALA 34.A N ARG 31.A O no hydrogen 3.076 N/A VAL 35.A N VAL 59.A O no hydrogen 2.959 N/A GLY 37.A N VAL 44.A O no hydrogen 2.746 N/A LYS 38.A N GLU 57.A O no hydrogen 3.212 N/A LYS 38.A NZ GLY 41.A O no hydrogen 3.014 N/A LYS 38.A NZ GLU 65.A OE1 no hydrogen 3.509 N/A PHE 39.A N GLN 42.A O no hydrogen 3.110 N/A ASN 40.A N SER 55.A O no hydrogen 2.514 N/A VAL 44.A N GLY 37.A O no hydrogen 2.465 N/A LEU 50.A N THR 17.A O no hydrogen 2.925 N/A THR 52.A OG1 ASP 53.A O no hydrogen 2.956 N/A ILE 56.A N GLN 4.A O no hydrogen 3.175 N/A GLU 57.A N LYS 38.A O no hydrogen 3.248 N/A THR 60.A OG1 PRO 61.A O no hydrogen 3.344 N/A SER 63.A OG THR 60.A O no hydrogen 2.594 N/A LEU 67.A N SER 63.A O no hydrogen 3.089 N/A GLU 68.A N GLU 64.A O no hydrogen 2.912 N/A VAL 69.A N GLU 65.A O no hydrogen 3.107 N/A LEU 70.A N ALA 66.A O no hydrogen 3.040 N/A ARG 71.A N LEU 67.A O no hydrogen 2.781 N/A ARG 71.A NH1 ALA 218.A O no hydrogen 2.547 N/A HIS 72.A N GLU 68.A O no hydrogen 2.737 N/A SER 73.A N VAL 69.A O no hydrogen 2.853 N/A SER 73.A OG VAL 69.A O no hydrogen 3.147 N/A THR 74.A N LEU 70.A O no hydrogen 2.897 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.508 N/A ALA 75.A N ARG 71.A O no hydrogen 3.122 N/A HIS 76.A N HIS 72.A O no hydrogen 3.237 N/A LEU 77.A N SER 73.A O no hydrogen 3.122 N/A MET 78.A N THR 74.A O no hydrogen 2.669 N/A ALA 79.A N ALA 75.A O no hydrogen 2.786 N/A HIS 80.A N HIS 76.A O no hydrogen 2.670 N/A ALA 81.A N LEU 77.A O no hydrogen 2.803 N/A ILE 82.A N MET 78.A O no hydrogen 3.062 N/A ILE 82.A N ALA 79.A O no hydrogen 2.569 N/A LYS 83.A N ALA 79.A O no hydrogen 2.885 N/A LYS 83.A NZ ASP 173.A OD1 no hydrogen 2.984 N/A ARG 84.A N HIS 80.A O no hydrogen 2.936 N/A ARG 84.A NH1 GLU 129.A OE1 no hydrogen 3.108 N/A ARG 84.A NH2 ASP 173.A OD2 no hydrogen 2.562 N/A LEU 85.A N ILE 82.A O no hydrogen 3.035 N/A TYR 86.A N ILE 82.A O no hydrogen 3.137 N/A PHE 91.A N ASP 150.A OD2 no hydrogen 2.926 N/A GLY 92.A N ASP 104.A O no hydrogen 3.177 N/A ILE 97.A N GLY 100.A O no hydrogen 2.692 N/A GLY 100.A N ILE 97.A O no hydrogen 3.097 N/A PHE 101.A N GLY 216.A O no hydrogen 2.616 N/A TYR 103.A N ILE 214.A O no hydrogen 3.023 N/A ASP 104.A N VAL 93.A O no hydrogen 3.169 N/A PHE 105.A N GLN 212.A O no hydrogen 2.932 N/A ASP 114.A N SER 112.A OG no hydrogen 3.259 N/A ASP 115.A N SER 112.A O no hydrogen 2.601 N/A GLN 118.A N ASP 115.A O no hydrogen 2.824 N/A ILE 119.A N ASP 115.A O no hydrogen 3.020 N/A GLU 120.A N PHE 116.A O no hydrogen 3.166 N/A THR 122.A N GLN 118.A O no hydrogen 2.792 N/A MET 123.A N ILE 119.A O no hydrogen 2.744 N/A LYS 124.A N GLU 120.A O no hydrogen 2.881 N/A GLN 125.A N LYS 121.A O no hydrogen 3.164 N/A ILE 126.A N THR 122.A O no hydrogen 3.007 N/A VAL 127.A N LYS 124.A O no hydrogen 2.573 N/A ASN 128.A N LYS 124.A O no hydrogen 3.136 N/A GLU 129.A N GLN 125.A O no hydrogen 3.240 N/A ASN 130.A N VAL 127.A O no hydrogen 3.131 N/A LYS 132.A NZ GLU 134.A OE2 no hydrogen 2.601 N/A GLU 134.A N SER 170.A O no hydrogen 2.840 N/A LYS 136.A N LEU 168.A O no hydrogen 2.898 N/A SER 139.A N GLU 142.A OE1 no hydrogen 2.477 N/A ARG 140.A NH1 ALA 159.A O no hydrogen 3.352 N/A ALA 143.A N SER 139.A O no hydrogen 3.040 N/A LYS 144.A N ARG 140.A O no hydrogen 2.674 N/A GLU 145.A N ASP 141.A O no hydrogen 3.203 N/A LEU 146.A N GLU 142.A O no hydrogen 2.883 N/A PHE 147.A N ALA 143.A O no hydrogen 2.735 N/A SER 148.A N LEU 146.A O no hydrogen 2.976 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.581 N/A TYR 152.A OH ASP 106.A OD2 no hydrogen 2.265 N/A LYS 153.A N ASP 150.A O no hydrogen 2.903 N/A LYS 153.A NZ GLY 92.A O no hydrogen 3.060 N/A LYS 153.A NZ ASP 176.A OD1 no hydrogen 2.609 N/A LEU 154.A N ASP 150.A O no hydrogen 3.239 N/A GLU 155.A N GLU 151.A O no hydrogen 3.096 N/A LEU 156.A N TYR 152.A O no hydrogen 3.134 N/A ILE 157.A N LYS 153.A O no hydrogen 2.776 N/A ASP 158.A N LEU 154.A O no hydrogen 2.664 N/A THR 167.A OG1 CYS 178.A O no hydrogen 3.444 N/A LEU 168.A N LYS 136.A O no hydrogen 2.785 N/A TYR 169.A N ASP 176.A O no hydrogen 3.125 N/A SER 170.A N GLU 134.A O no hydrogen 2.845 N/A GLN 171.A N PHE 174.A O no hydrogen 3.212 N/A ASP 173.A N GLN 171.A O no hydrogen 2.381 N/A ASP 176.A N TYR 169.A O no hydrogen 3.233 N/A CYS 178.A SG HIS 72.A NE2 no hydrogen 3.077 N/A HIS 182.A N ASP 45.A OD2 no hydrogen 3.374 N/A VAL 183.A N SER 73.A OG no hydrogen 2.776 N/A LYS 188.A N SER 185.A O no hydrogen 3.468 N/A LYS 188.A NZ LYS 33.A O no hydrogen 3.366 N/A ILE 189.A N THR 186.A O no hydrogen 3.434 N/A LYS 193.A N THR 217.A O no hydrogen 2.874 N/A LYS 193.A NZ LEU 194.A O no hydrogen 3.378 N/A LEU 194.A N GLU 120.A OE2 no hydrogen 3.068 N/A LEU 195.A N TYR 215.A O no hydrogen 2.621 N/A SER 196.A N TYR 215.A O no hydrogen 3.367 N/A ALA 198.A N ARG 213.A O no hydrogen 2.968 N/A ALA 200.A N LEU 211.A O no hydrogen 2.850 N/A GLY 204.A N TRP 202.A O no hydrogen 2.474 N/A ASP 205.A N TRP 202.A O no hydrogen 3.281 N/A ASN 207.A N ASP 205.A OD2 no hydrogen 3.197 N/A ASN 208.A N ASP 205.A OD2 no hydrogen 3.365 N/A LEU 211.A N ALA 200.A O no hydrogen 2.705 N/A ARG 213.A NE ASP 104.A OD1 no hydrogen 2.809 N/A ARG 213.A NH1 TYR 215.A OH no hydrogen 2.926 N/A TYR 215.A N SER 196.A O no hydrogen 2.896 N/A GLY 216.A N PHE 101.A O no hydrogen 2.670 N/A THR 217.A N LYS 193.A O no hydrogen 2.989 N/A THR 217.A OG1 GLY 99.A O no hydrogen 3.096 N/A PHE 219.A N GLU 191.A O no hydrogen 2.588 N/A LYS 223.A N ASP 221.A OD1 no hydrogen 2.714 N/A LYS 223.A NZ ASP 221.A OD2 no hydrogen 2.951 N/A LEU 225.A N ASP 221.A O no hydrogen 3.262 N/A LYS 226.A N LYS 222.A O no hydrogen 3.279 N/A ALA 227.A N LYS 223.A O no hydrogen 2.992 N/A HIS 228.A N GLU 224.A O no hydrogen 2.894 N/A LEU 229.A N LEU 225.A O no hydrogen 2.738 N/A GLN 230.A N LYS 226.A O no hydrogen 2.740 N/A MET 231.A N ALA 227.A O no hydrogen 2.958 N/A LEU 232.A N HIS 228.A O no hydrogen 2.911 N/A GLU 233.A N GLN 230.A O no hydrogen 2.930 N/A GLU 234.A N GLN 230.A O no hydrogen 2.982 N/A ARG 235.A N MET 231.A O no hydrogen 3.207 N/A LYS 236.A N LEU 232.A O no hydrogen 3.080 N/A LYS 236.A NZ GLU 233.A OE2 no hydrogen 3.454 N/A GLU 237.A N GLU 233.A O no hydrogen 3.126 N/A GLU 237.A N GLU 234.A O no hydrogen 3.113 N/A ARG 238.A N ARG 235.A O no hydrogen 3.142 N/A HIS 240.A N GLU 530.A OE2 no hydrogen 3.417 N/A HIS 240.A ND1 GLU 530.A OE2 no hydrogen 3.133 N/A HIS 240.A NE2 GLY 371.A O no hydrogen 2.562 N/A ARG 241.A N ASP 239.A OD1 no hydrogen 2.351 N/A ARG 241.A NE ASP 239.A OD1 no hydrogen 3.052 N/A ARG 241.A NE ASP 239.A OD2 no hydrogen 3.408 N/A ARG 241.A NH2 ASP 239.A OD2 no hydrogen 2.750 N/A LYS 242.A N ASP 239.A O no hydrogen 2.788 N/A LYS 242.A NZ GLU 246.A OE1 no hydrogen 2.652 N/A ILE 243.A N ASP 239.A O no hydrogen 3.214 N/A GLY 244.A N HIS 240.A O no hydrogen 2.691 N/A LYS 245.A N ARG 241.A O no hydrogen 3.462 N/A GLU 246.A N LYS 242.A O no hydrogen 2.726 N/A LEU 247.A N ILE 243.A O no hydrogen 2.941 N/A GLU 248.A N LYS 245.A O no hydrogen 2.941 N/A LEU 249.A N GLY 244.A O no hydrogen 2.946 N/A THR 251.A N LEU 262.A O no hydrogen 3.115 N/A ASN 252.A ND2 ASN 252.A O no hydrogen 2.838 N/A VAL 256.A N SER 253.A O no hydrogen 2.953 N/A GLY 257.A N SER 253.A O no hydrogen 3.345 N/A LEU 262.A N THR 251.A O no hydrogen 2.650 N/A LEU 264.A N LEU 249.A O no hydrogen 3.080 N/A ASN 266.A ND2 LEU 247.A O no hydrogen 3.241 N/A ASN 266.A ND2 GLU 248.A O no hydrogen 3.548 N/A ALA 268.A N LEU 264.A O no hydrogen 2.660 N/A THR 269.A N PRO 265.A O no hydrogen 2.708 N/A THR 269.A OG1 PRO 265.A O no hydrogen 3.355 N/A ILE 270.A N ASN 266.A O no hydrogen 3.115 N/A ARG 271.A N GLY 267.A O no hydrogen 3.090 N/A ARG 271.A NE GLU 275.A OE2 no hydrogen 2.863 N/A ARG 272.A N ALA 268.A O no hydrogen 2.966 N/A ARG 272.A NH2 THR 269.A OG1 no hydrogen 2.987 N/A GLU 273.A N THR 269.A O no hydrogen 3.094 N/A ILE 274.A N ILE 270.A O no hydrogen 3.090 N/A GLU 275.A N ARG 271.A O no hydrogen 2.556 N/A ARG 276.A N ARG 272.A O no hydrogen 2.807 N/A TYR 277.A N GLU 273.A O no hydrogen 3.059 N/A TYR 277.A OH ASP 409.A OD2 no hydrogen 2.524 N/A ILE 278.A N ILE 274.A O no hydrogen 3.131 N/A VAL 279.A N GLU 275.A O no hydrogen 3.228 N/A ASP 280.A N ARG 276.A O no hydrogen 2.910 N/A LYS 281.A N TYR 277.A O no hydrogen 2.850 N/A GLU 282.A N ILE 278.A O no hydrogen 2.667 N/A VAL 283.A N VAL 279.A O no hydrogen 2.646 N/A SER 284.A N ASP 280.A O no hydrogen 2.697 N/A SER 284.A OG LYS 281.A O no hydrogen 3.439 N/A MET 285.A N LYS 281.A O no hydrogen 2.827 N/A MET 285.A N GLU 282.A O no hydrogen 2.885 N/A GLY 286.A N VAL 283.A O no hydrogen 3.035 N/A TYR 287.A N GLU 282.A O no hydrogen 3.056 N/A ASP 288.A N ARG 353.A O no hydrogen 2.770 N/A HIS 289.A NE2 GLU 282.A OE1 no hydrogen 2.801 N/A VAL 290.A N ALA 355.A O no hydrogen 3.038 N/A THR 292.A N GLU 356.A OE2 no hydrogen 2.712 N/A THR 292.A OG1 GLU 356.A OE1 no hydrogen 2.548 N/A THR 292.A OG1 GLU 356.A OE2 no hydrogen 2.877 N/A ALA 296.A N VAL 327.A O no hydrogen 3.077 N/A VAL 298.A N SER 325.A O no hydrogen 2.911 N/A ASP 299.A N ASN 297.A OD1 no hydrogen 2.668 N/A LEU 300.A N ASN 297.A O no hydrogen 2.977 N/A TYR 301.A N VAL 298.A O no hydrogen 2.792 N/A LYS 302.A N VAL 298.A O no hydrogen 3.151 N/A THR 303.A N ASP 299.A O no hydrogen 2.892 N/A THR 303.A OG1 ASP 299.A O no hydrogen 2.510 N/A SER 304.A N LEU 300.A O no hydrogen 2.968 N/A SER 304.A OG LEU 300.A O no hydrogen 3.409 N/A SER 304.A OG TYR 301.A O no hydrogen 2.854 N/A SER 304.A OG HIS 306.A ND1 no hydrogen 2.647 N/A GLY 305.A N TYR 301.A O no hydrogen 2.537 N/A HIS 306.A N SER 304.A OG no hydrogen 3.216 N/A HIS 306.A ND1 SER 304.A OG no hydrogen 2.647 N/A TRP 307.A N TYR 301.A O no hydrogen 3.372 N/A ASP 308.A N GLY 305.A O no hydrogen 3.364 N/A HIS 309.A N HIS 306.A O no hydrogen 3.395 N/A TYR 310.A N HIS 306.A O no hydrogen 2.821 N/A MET 318.A N MET 326.A O no hydrogen 2.614 N/A LEU 320.A N GLN 319.A OE1 no hydrogen 2.579 N/A THR 323.A N ASP 321.A O no hydrogen 2.373 N/A THR 323.A OG1 LEU 320.A O no hydrogen 2.737 N/A THR 323.A OG1 ASP 321.A O no hydrogen 3.067 N/A MET 326.A N MET 318.A O no hydrogen 2.825 N/A VAL 327.A N ALA 296.A O no hydrogen 3.222 N/A ARG 329.A N VAL 294.A O no hydrogen 3.293 N/A ARG 329.A NE THR 359.A O no hydrogen 2.945 N/A ARG 329.A NH1 THR 292.A OG1 no hydrogen 2.661 N/A ARG 329.A NH2 GLU 356.A OE2 no hydrogen 3.444 N/A ASN 332.A ND2 ASP 382.A OD2 no hydrogen 2.540 N/A CYS 333.A SG HIS 384.A NE2 no hydrogen 3.330 N/A CYS 333.A SG HIS 514.A ND1 no hydrogen 3.368 N/A HIS 336.A N ASN 332.A O no hydrogen 3.171 N/A HIS 336.A ND1 HIS 384.A ND1 no hydrogen 2.836 N/A HIS 336.A NE2 GLU 356.A OE1 no hydrogen 2.634 N/A MET 337.A N CYS 333.A O no hydrogen 2.838 N/A MET 338.A N PRO 334.A O no hydrogen 3.096 N/A ILE 339.A N HIS 335.A O no hydrogen 2.915 N/A TYR 340.A N HIS 336.A O no hydrogen 3.159 N/A TYR 340.A OH THR 499.A O no hydrogen 2.997 N/A ALA 341.A N MET 337.A O no hydrogen 2.810 N/A ASN 342.A N MET 338.A O no hydrogen 2.945 N/A HIS 345.A ND1 GLU 349.A OE1 no hydrogen 2.878 N/A HIS 345.A NE2 TYR 340.A O no hydrogen 2.774 N/A SER 346.A N GLU 349.A OE2 no hydrogen 2.730 N/A TYR 347.A N ILE 501.A O no hydrogen 2.840 N/A ARG 348.A N SER 346.A OG no hydrogen 3.020 N/A GLU 349.A N SER 346.A O no hydrogen 2.748 N/A ILE 352.A N PHE 386.A O no hydrogen 3.002 N/A ILE 354.A N HIS 384.A O no hydrogen 3.353 N/A ALA 355.A N ASP 288.A O no hydrogen 3.004 N/A GLU 356.A N ASP 382.A O no hydrogen 2.829 N/A THR 359.A OG1 THR 379.A OG1 no hydrogen 3.254 N/A MET 360.A N MET 378.A O no hydrogen 2.721 N/A HIS 361.A N ARG 329.A O no hydrogen 3.333 N/A ARG 362.A N ARG 376.A O no hydrogen 2.945 N/A ARG 362.A NE PRO 330.A O no hydrogen 2.870 N/A ARG 362.A NH2 PRO 330.A O no hydrogen 2.947 N/A TYR 363.A N ASP 313.A O no hydrogen 2.501 N/A ALA 368.A N ALA 365.A O no hydrogen 2.774 N/A VAL 369.A N ALA 365.A O no hydrogen 3.380 N/A SER 370.A N ARG 374.A O no hydrogen 3.058 N/A GLN 373.A N SER 370.A O no hydrogen 3.037 N/A GLN 373.A N GLY 371.A O no hydrogen 2.469 N/A GLN 373.A NE2 THR 475.A OG1 no hydrogen 3.386 N/A ARG 374.A N SER 370.A O no hydrogen 2.875 N/A ARG 374.A NH1 GLU 364.A OE2 no hydrogen 3.494 N/A ARG 376.A N GLY 259.A O no hydrogen 2.724 N/A ARG 376.A NE GLU 364.A O no hydrogen 3.562 N/A ARG 376.A NH1 ALA 258.A O no hydrogen 3.401 N/A ARG 376.A NH2 GLU 364.A O no hydrogen 3.443 N/A GLY 377.A N GLY 259.A O no hydrogen 3.325 N/A MET 378.A N MET 360.A O no hydrogen 2.769 N/A THR 379.A N GLU 522.A OE1 no hydrogen 2.764 N/A THR 379.A OG1 THR 359.A OG1 no hydrogen 3.254 N/A LEU 380.A N GLY 358.A O no hydrogen 2.872 N/A ASN 381.A N SER 519.A O no hydrogen 2.906 N/A ASP 382.A N GLU 356.A O no hydrogen 2.853 N/A SER 383.A N ASP 382.A OD1 no hydrogen 2.521 N/A SER 383.A OG ILE 354.A O no hydrogen 3.133 N/A HIS 384.A N ILE 354.A O no hydrogen 2.933 N/A HIS 384.A ND1 HIS 336.A ND1 no hydrogen 2.836 N/A ILE 385.A N ILE 513.A O no hydrogen 2.879 N/A PHE 386.A N ILE 352.A O no hydrogen 2.449 N/A VAL 387.A N VAL 511.A O no hydrogen 2.649 N/A ARG 388.A N GLN 391.A OE1 no hydrogen 2.928 N/A ARG 388.A NE TYR 347.A O no hydrogen 2.802 N/A ARG 388.A NH1 ASP 390.A OD1 no hydrogen 2.318 N/A ARG 388.A NH2 TYR 347.A O no hydrogen 3.288 N/A GLN 391.A N ARG 388.A O no hydrogen 2.580 N/A LYS 393.A NZ GLU 446.A OE1 no hydrogen 2.501 N/A LYS 393.A NZ GLU 450.A OE2 no hydrogen 3.167 N/A GLU 395.A N GLN 391.A O no hydrogen 3.031 N/A PHE 396.A N ILE 392.A O no hydrogen 2.622 N/A LYS 397.A N LYS 393.A O no hydrogen 2.729 N/A LYS 397.A NZ GLU 450.A OE1 no hydrogen 3.375 N/A ARG 398.A N GLU 394.A O no hydrogen 3.147 N/A ARG 398.A N GLU 395.A O no hydrogen 3.187 N/A ARG 398.A NE GLU 395.A OE1 no hydrogen 3.337 N/A ARG 398.A NH2 GLU 394.A OE1 no hydrogen 2.537 N/A ARG 398.A NH2 GLU 395.A OE1 no hydrogen 3.113 N/A VAL 399.A N GLU 395.A O no hydrogen 3.218 N/A VAL 400.A N PHE 396.A O no hydrogen 3.161 N/A ASN 401.A N LYS 397.A O no hydrogen 3.088 N/A MET 402.A N ARG 398.A O no hydrogen 2.912 N/A ILE 403.A N VAL 399.A O no hydrogen 2.988 N/A ILE 404.A N VAL 400.A O no hydrogen 2.794 N/A ASP 405.A N ASN 401.A O no hydrogen 2.415 N/A VAL 406.A N MET 402.A O no hydrogen 2.598 N/A TYR 407.A N ILE 403.A O no hydrogen 3.094 N/A TYR 407.A OH SER 484.A OG no hydrogen 2.337 N/A LYS 408.A N ILE 404.A O no hydrogen 3.250 N/A LYS 408.A NZ ASP 405.A OD1 no hydrogen 3.276 N/A ASP 409.A N ASP 405.A O no hydrogen 3.058 N/A PHE 410.A N VAL 406.A O no hydrogen 3.050 N/A GLY 411.A N LYS 408.A O no hydrogen 3.021 N/A PHE 412.A N TYR 407.A O no hydrogen 2.790 N/A SER 416.A N GLN 472.A O no hydrogen 2.731 N/A SER 416.A OG GLN 472.A O no hydrogen 3.307 N/A LEU 419.A N GLU 456.A O no hydrogen 3.078 N/A SER 420.A N LYS 468.A O no hydrogen 3.326 N/A SER 420.A OG LYS 468.A O no hydrogen 3.546 N/A SER 420.A OG ASP 470.A OD2 no hydrogen 3.214 N/A TYR 421.A N ALA 458.A O no hydrogen 2.523 N/A TYR 421.A OH GLU 457.A OE1 no hydrogen 2.729 N/A ARG 422.A N GLU 441.A OE2 no hydrogen 2.720 N/A LYS 427.A N ASP 426.A OD1 no hydrogen 3.202 N/A MET 436.A N ASP 433.A OD1 no hydrogen 2.938 N/A TRP 437.A N ASP 433.A O no hydrogen 3.384 N/A ASN 438.A N ASP 434.A O no hydrogen 3.431 N/A ASN 438.A N ASP 435.A O no hydrogen 2.894 N/A LYS 439.A N ASP 435.A O no hydrogen 3.079 N/A ALA 440.A N MET 436.A O no hydrogen 2.905 N/A GLU 441.A N TRP 437.A O no hydrogen 2.908 N/A ASN 442.A N ASN 438.A O no hydrogen 2.759 N/A LEU 444.A N ALA 440.A O no hydrogen 2.673 N/A LYS 445.A N GLU 441.A O no hydrogen 2.826 N/A LYS 445.A NZ GLU 457.A OE2 no hydrogen 2.838 N/A GLU 446.A N ASN 442.A O no hydrogen 3.248 N/A ALA 447.A N MET 443.A O no hydrogen 3.023 N/A ALA 448.A N LEU 444.A O no hydrogen 3.106 N/A ASP 449.A N LYS 445.A O no hydrogen 3.266 N/A GLU 450.A N GLU 446.A O no hydrogen 2.787 N/A LEU 451.A N ALA 447.A O no hydrogen 2.916 N/A LEU 451.A N ALA 448.A O no hydrogen 3.049 N/A GLY 452.A N ALA 448.A O no hydrogen 2.840 N/A LEU 453.A N ALA 448.A O no hydrogen 3.434 N/A TYR 455.A OH ASP 449.A OD1 no hydrogen 2.713 N/A TYR 455.A OH ASP 449.A OD2 no hydrogen 3.322 N/A GLY 460.A N TYR 421.A O no hydrogen 2.640 N/A ALA 463.A N GLY 466.A O no hydrogen 2.852 N/A GLY 466.A N ALA 463.A O no hydrogen 2.954 N/A LYS 468.A NZ ASP 470.A OD1 no hydrogen 2.628 N/A LYS 468.A NZ ASP 470.A OD2 no hydrogen 2.478 N/A LEU 469.A N ALA 486.A O no hydrogen 2.917 N/A ASP 470.A N ARG 418.A O no hydrogen 3.125 N/A VAL 471.A N SER 484.A O no hydrogen 3.024 N/A GLN 472.A N SER 416.A O no hydrogen 2.403 N/A GLN 472.A NE2 THR 482.A OG1 no hydrogen 2.501 N/A VAL 473.A N GLU 481.A O no hydrogen 2.736 N/A THR 475.A N LYS 479.A O no hydrogen 2.493 N/A THR 475.A OG1 LYS 479.A O no hydrogen 3.419 N/A GLY 478.A N THR 475.A O no hydrogen 3.030 N/A GLU 481.A N VAL 473.A O no hydrogen 2.649 N/A LEU 483.A N VAL 471.A O no hydrogen 2.874 N/A SER 484.A OG TYR 407.A OH no hydrogen 2.337 N/A SER 484.A OG VAL 517.A O no hydrogen 2.828 N/A THR 485.A N GLY 516.A O no hydrogen 3.322 N/A THR 485.A OG1 ASP 470.A OD1 no hydrogen 2.893 N/A THR 485.A OG1 GLN 487.A OE1 no hydrogen 2.550 N/A ALA 486.A N LEU 469.A O no hydrogen 3.159 N/A GLN 487.A N HIS 514.A O no hydrogen 2.617 N/A GLN 487.A NE2 TYR 465.A OH no hydrogen 2.786 N/A LEU 488.A N PRO 467.A O no hydrogen 2.886 N/A ASP 489.A N VAL 512.A O no hydrogen 2.769 N/A LEU 491.A N ASP 489.A OD1 no hydrogen 3.140 N/A GLU 494.A N LEU 491.A O no hydrogen 2.558 N/A ARG 495.A N LEU 491.A O no hydrogen 2.916 N/A ARG 495.A NE THR 303.A O no hydrogen 2.835 N/A ARG 495.A NH2 LYS 302.A O no hydrogen 2.610 N/A ARG 495.A NH2 THR 303.A O no hydrogen 3.376 N/A PHE 496.A N LEU 492.A O no hydrogen 2.658 N/A ASP 497.A N GLU 494.A O no hydrogen 2.769 N/A LEU 498.A N PRO 493.A O no hydrogen 2.774 N/A THR 499.A OG1 TYR 500.A O no hydrogen 2.880 N/A THR 499.A OG1 HIS 508.A O no hydrogen 3.564 N/A TYR 500.A N HIS 508.A O no hydrogen 2.689 N/A ILE 501.A N HIS 345.A O no hydrogen 2.736 N/A GLY 502.A N GLU 506.A O no hydrogen 2.781 N/A ASP 504.A N GLU 506.A OE2 no hydrogen 2.968 N/A GLY 505.A N GLU 506.A OE2 no hydrogen 2.652 N/A HIS 508.A N TYR 500.A O no hydrogen 3.219 N/A HIS 508.A NE2 GLU 506.A OE1 no hydrogen 2.839 N/A ARG 509.A NH1 GLU 494.A OE2 no hydrogen 2.928 N/A ARG 509.A NH2 ASP 497.A OD1 no hydrogen 2.464 N/A VAL 511.A N VAL 387.A O no hydrogen 2.619 N/A VAL 512.A N ASP 489.A O no hydrogen 2.945 N/A ILE 513.A N ILE 385.A O no hydrogen 2.889 N/A HIS 514.A N GLN 487.A O no hydrogen 3.023 N/A ARG 515.A N SER 383.A O no hydrogen 3.181 N/A ARG 515.A NH1 ASN 381.A O no hydrogen 2.887 N/A ARG 515.A NH1 ARG 515.A O no hydrogen 2.573 N/A ARG 515.A NH2 ASN 381.A OD1 no hydrogen 3.485 N/A GLY 516.A N THR 485.A O no hydrogen 2.756 N/A SER 519.A OG THR 520.A OG1 no hydrogen 3.350 N/A THR 520.A N SER 519.A OG no hydrogen 2.312 N/A THR 520.A OG1 SER 519.A OG no hydrogen 3.350 N/A MET 521.A N THR 379.A O no hydrogen 2.693 N/A GLU 522.A N GLU 522.A OE1 no hydrogen 2.885 N/A ARG 523.A N THR 520.A OG1 no hydrogen 3.206 N/A PHE 524.A N THR 520.A O no hydrogen 2.520 N/A VAL 525.A N MET 521.A O no hydrogen 2.737 N/A ALA 526.A N GLU 522.A O no hydrogen 3.116 N/A PHE 527.A N ARG 523.A O no hydrogen 3.122 N/A LEU 528.A N PHE 524.A O no hydrogen 2.900 N/A THR 529.A N VAL 525.A O no hydrogen 2.548 N/A THR 529.A OG1 VAL 525.A O no hydrogen 3.027 N/A GLU 530.A N ALA 526.A O no hydrogen 3.045 N/A GLU 531.A N PHE 527.A O no hydrogen 2.704 N/A THR 532.A N THR 529.A O no hydrogen 2.807 N/A LYS 533.A N GLU 530.A O no hydrogen 3.288 N/A ALA 535.A N THR 532.A O no hydrogen 2.683 N/A PHE 536.A N GLY 534.A O no hydrogen 2.698 N/A THR 538.A OG1 GLU 635.A OE2 no hydrogen 2.885 N/A ALA 541.A N PRO 537.A O no hydrogen 2.936 N/A ALA 541.A N THR 538.A O no hydrogen 3.039 N/A LYS 543.A NZ SER 574.A OG no hydrogen 2.822 N/A GLN 544.A N ARG 572.A O no hydrogen 2.559 N/A GLN 544.A NE2 THR 538.A O no hydrogen 3.123 N/A VAL 545.A N ARG 572.A O no hydrogen 2.923 N/A GLN 546.A N TYR 596.A O no hydrogen 2.635 N/A ILE 547.A N SER 574.A O no hydrogen 2.926 N/A ILE 548.A N ILE 598.A O no hydrogen 2.782 N/A VAL 550.A N VAL 600.A O no hydrogen 3.011 N/A ASN 551.A N HIS 555.A ND1 no hydrogen 2.710 N/A HIS 555.A N ASN 551.A O no hydrogen 2.759 N/A HIS 555.A NE2 ASP 602.A OD1 no hydrogen 2.432 N/A TYR 558.A OH GLN 609.A O no hydrogen 2.599 N/A ALA 559.A N HIS 555.A O no hydrogen 3.298 N/A ARG 560.A N TYR 556.A O no hydrogen 2.938 N/A ARG 560.A NE ASP 564.A OD1 no hydrogen 2.789 N/A ARG 560.A NE ASP 564.A OD2 no hydrogen 3.087 N/A GLN 561.A N ASP 557.A O no hydrogen 3.020 N/A GLN 561.A NE2 TYR 558.A O no hydrogen 3.675 N/A LEU 562.A N TYR 558.A O no hydrogen 2.840 N/A GLN 563.A N ALA 559.A O no hydrogen 2.760 N/A GLN 563.A NE2 VAL 573.A O no hydrogen 3.435 N/A ASP 564.A N ARG 560.A O no hydrogen 2.714 N/A GLU 565.A N GLN 561.A O no hydrogen 2.824 N/A LEU 566.A N LEU 562.A O no hydrogen 2.874 N/A LYS 567.A N GLN 563.A O no hydrogen 2.719 N/A SER 568.A N ASP 564.A O no hydrogen 3.142 N/A SER 568.A N GLU 565.A O no hydrogen 2.924 N/A SER 568.A OG ASP 564.A O no hydrogen 3.259 N/A SER 568.A OG GLU 565.A O no hydrogen 2.251 N/A GLN 569.A N LEU 566.A O no hydrogen 2.636 N/A VAL 571.A N LEU 566.A O no hydrogen 3.198 N/A ARG 572.A N GLN 544.A OE1 no hydrogen 2.692 N/A ARG 572.A NH2 TRP 539.A O no hydrogen 2.845 N/A SER 574.A N VAL 545.A O no hydrogen 3.113 N/A SER 574.A OG GLN 546.A OE1 no hydrogen 2.862 N/A ASP 576.A N ILE 547.A O no hydrogen 2.817 N/A ARG 578.A N ASP 576.A OD1 no hydrogen 3.291 N/A ARG 578.A NE ASP 576.A OD1 no hydrogen 3.051 N/A ARG 578.A NH1 GLU 588.A OE1 no hydrogen 3.092 N/A ARG 578.A NH2 ASP 576.A OD2 no hydrogen 3.283 N/A ARG 578.A NH2 GLU 588.A OE1 no hydrogen 2.867 N/A LYS 585.A N LYS 581.A O no hydrogen 3.160 N/A LYS 585.A NZ ASP 576.A O no hydrogen 2.784 N/A LYS 585.A NZ ARG 578.A O no hydrogen 2.452 N/A ILE 586.A N MET 582.A O no hydrogen 2.678 N/A ARG 587.A N TYR 584.A O no hydrogen 2.862 N/A GLU 588.A N TYR 584.A O no hydrogen 2.718 N/A MET 591.A N ARG 587.A O no hydrogen 3.047 N/A GLN 592.A N GLU 588.A O no hydrogen 3.140 N/A GLN 592.A NE2 GLU 588.A OE2 no hydrogen 3.066 N/A LYS 593.A NZ LYS 533.A O no hydrogen 2.489 N/A ILE 594.A N ALA 589.A O no hydrogen 3.231 N/A TYR 596.A N GLN 544.A O no hydrogen 3.078 N/A TYR 596.A OH GLU 635.A OE1 no hydrogen 2.371 N/A TYR 596.A OH GLU 635.A OE2 no hydrogen 3.014 N/A GLN 597.A N ARG 613.A O no hydrogen 3.042 N/A ILE 598.A N GLN 546.A O no hydrogen 2.687 N/A VAL 599.A N ASN 611.A O no hydrogen 2.757 N/A VAL 600.A N ILE 548.A O no hydrogen 3.092 N/A GLY 601.A N GLU 604.A OE1 no hydrogen 2.824 N/A VAL 605.A N GLY 601.A O no hydrogen 3.256 N/A GLU 606.A N ASP 602.A O no hydrogen 2.926 N/A ASN 607.A N LYS 603.A O no hydrogen 2.975 N/A ASN 608.A N GLU 604.A O no hydrogen 2.689 N/A GLN 609.A N GLU 604.A O no hydrogen 3.287 N/A VAL 610.A N VAL 623.A O no hydrogen 2.881 N/A ASN 611.A N VAL 599.A O no hydrogen 3.250 N/A ARG 613.A N GLN 597.A O no hydrogen 3.074 N/A SER 617.A N TYR 615.A O no hydrogen 2.183 N/A SER 617.A OG GLY 616.A O no hydrogen 2.370 N/A GLN 618.A NE2 ASP 619.A OD2 no hydrogen 2.525 N/A GLU 621.A N VAL 612.A O no hydrogen 3.279 N/A VAL 623.A N VAL 610.A O no hydrogen 3.045 N/A LYS 625.A NZ GLU 565.A OE1 no hydrogen 2.850 N/A LYS 625.A NZ GLU 565.A OE2 no hydrogen 3.006 N/A PHE 628.A N GLU 624.A O no hydrogen 2.951 N/A ILE 629.A N LYS 625.A O no hydrogen 3.144 N/A TRP 630.A N ASP 626.A O no hydrogen 3.458 N/A ASN 631.A N GLU 627.A O no hydrogen 2.927 N/A LEU 632.A N PHE 628.A O no hydrogen 2.724 N/A VAL 633.A N ILE 629.A O no hydrogen 2.688 N/A ASP 634.A N TRP 630.A O no hydrogen 2.780 N/A ASP 634.A N ASN 631.A O no hydrogen 3.069 N/A GLU 635.A N ASN 631.A O no hydrogen 2.689 N/A ILE 636.A N LEU 632.A O no hydrogen 2.993 N/A ARG 637.A N VAL 633.A O no hydrogen 3.078 N/A ARG 637.A NH2 ASP 634.A OD2 no hydrogen 2.366 N/A LEU 638.A N ASP 634.A O no hydrogen 2.781 N/A LYS 639.A N ILE 636.A O no hydrogen 2.527 N/A LYS 640.A N GLU 635.A O no hydrogen 3.059 N/A HIS 641.A NE2 LYS 408.A O no hydrogen 3.277 N/A ARG 642.A NH1 ARG 642.A O no hydrogen 2.742 N/A