Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5knc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N VAL 64.A O no hydrogen 2.830 N/A LYS 5.A N GLU 17.A O no hydrogen 3.176 N/A ILE 6.A N GLU 62.A O no hydrogen 3.070 N/A ILE 7.A N MET 15.A O no hydrogen 2.841 N/A SER 10.A N LEU 13.A O no hydrogen 2.893 N/A LEU 13.A N SER 10.A O no hydrogen 3.135 N/A VAL 14.A N ILE 49.A O no hydrogen 2.721 N/A MET 15.A N LYS 8.A O no hydrogen 3.008 N/A ALA 16.A N ALA 47.A O no hydrogen 2.928 N/A GLU 17.A N LYS 5.A O no hydrogen 2.827 N/A ASN 18.A N ASP 45.A OD2 no hydrogen 3.214 N/A SER 20.A OG ASP 45.A OD1 no hydrogen 2.938 N/A GLU 21.A N GLN 2.A OE1 no hydrogen 3.027 N/A ALA 22.A N MET 19.A O no hydrogen 3.337 N/A GLN 25.A N ILE 39.A O no hydrogen 2.767 N/A MET 27.A N GLU 69.A O no hydrogen 3.183 N/A CYS 28.A N GLY 37.A O no hydrogen 2.943 N/A LEU 29.A N ARG 65.A O no hydrogen 2.630 N/A VAL 30.A N VAL 35.A O no hydrogen 2.972 N/A GLY 31.A N PRO 63.A O no hydrogen 3.004 N/A ASP 32.A N GLU 62.A OE1 no hydrogen 2.566 N/A VAL 35.A N VAL 30.A O no hydrogen 3.268 N/A ILE 36.A N GLU 53.A OE2 no hydrogen 3.172 N/A GLY 37.A N CYS 28.A O no hydrogen 2.946 N/A GLU 38.A N GLN 50.A O no hydrogen 3.252 N/A ILE 39.A N ASP 26.A O no hydrogen 3.088 N/A ILE 40.A N SER 48.A O no hydrogen 3.280 N/A ARG 43.A N VAL 46.A O no hydrogen 2.889 N/A ALA 47.A N ALA 16.A O no hydrogen 3.065 N/A SER 48.A N GLU 41.A O no hydrogen 3.049 N/A ILE 49.A N VAL 14.A O no hydrogen 2.486 N/A GLN 50.A N GLU 38.A O no hydrogen 3.067 N/A VAL 51.A N PRO 12.A O no hydrogen 2.833 N/A TYR 52.A N ILE 36.A O no hydrogen 3.248 N/A TYR 52.A OH GLU 38.A OE1 no hydrogen 2.493 N/A THR 55.A OG1 GLY 11.A O no hydrogen 2.627 N/A ILE 58.A N THR 55.A O no hydrogen 3.284 N/A GLY 59.A N GLU 62.A OE2 no hydrogen 3.010 N/A GLY 61.A N ILE 6.A O no hydrogen 2.988 N/A VAL 64.A N GLY 4.A O no hydrogen 3.149 N/A ARG 65.A N LEU 29.A O no hydrogen 3.069 N/A SER 66.A OG ASP 26.A OD2 no hydrogen 3.102 N/A THR 67.A N MET 27.A O no hydrogen 2.827 N/A THR 67.A OG1 MET 27.A O no hydrogen 2.569 N/A THR 67.A OG1 GLU 69.A O no hydrogen 3.339 N/A GLY 68.A N SER 66.A OG no hydrogen 3.115 N/A SER 72.A OG ALA 70.A O no hydrogen 2.973 N/A VAL 73.A N TRP 191.A O no hydrogen 3.035 N/A GLU 74.A N GLN 88.A OE1 no hydrogen 2.780 N/A LEU 75.A N GLN 189.A O no hydrogen 3.139 N/A GLY 78.A N GLU 141.A OE1 no hydrogen 2.444 N/A ILE 79.A N GLU 141.A OE1 no hydrogen 2.813 N/A ILE 80.A N GLU 141.A OE1 no hydrogen 3.241 N/A SER 81.A N THR 289.A O no hydrogen 3.121 N/A SER 81.A OG ILE 80.A O no hydrogen 2.397 N/A SER 81.A OG GLU 287.A OE1 no hydrogen 3.447 N/A GLN 82.A NE2 ASP 92.A OD2 no hydrogen 3.210 N/A GLN 88.A N ASP 85.A O no hydrogen 2.955 N/A GLN 88.A NE2 GLU 74.A O no hydrogen 3.078 N/A ARG 89.A N ASP 85.A OD2 no hydrogen 2.607 N/A ARG 89.A NE ASP 85.A OD1 no hydrogen 3.294 N/A ARG 89.A NH2 ASP 85.A OD1 no hydrogen 3.453 N/A LEU 91.A N MET 83.A O no hydrogen 3.226 N/A PHE 94.A N PRO 90.A O no hydrogen 3.140 N/A MET 95.A N LEU 91.A O no hydrogen 3.421 N/A GLU 96.A N ASP 92.A O no hydrogen 3.409 N/A VAL 97.A N THR 93.A O no hydrogen 3.308 N/A THR 98.A N PHE 94.A O no hydrogen 2.989 N/A PHE 102.A N SER 100.A OG no hydrogen 3.119 N/A ARG 105.A NH1 SER 56.A OG no hydrogen 3.422 N/A ALA 111.A N GLU 74.A OE2 no hydrogen 3.037 N/A HIS 114.A ND1 ASP 170.A OD1 no hydrogen 2.597 N/A HIS 114.A NE2 GLU 74.A OE1 no hydrogen 2.890 N/A GLU 115.A N ASP 113.A OD1 no hydrogen 3.092 N/A TRP 118.A N PHE 167.A O no hydrogen 2.763 N/A PHE 120.A N GLY 165.A O no hydrogen 2.863 N/A GLU 121.A N TYR 138.A O no hydrogen 3.293 N/A ALA 122.A N SER 164.A OG no hydrogen 2.791 N/A THR 123.A N ILE 136.A O no hydrogen 2.651 N/A GLY 127.A N VAL 159.A O no hydrogen 2.828 N/A THR 128.A OG1 GLU 125.A O no hydrogen 2.357 N/A SER 131.A N ASP 134.A OD2 no hydrogen 2.449 N/A GLY 133.A N VAL 151.A O no hydrogen 2.852 N/A ASP 134.A N SER 131.A O no hydrogen 3.330 N/A ILE 136.A N ILE 149.A O no hydrogen 3.364 N/A TYR 138.A N GLU 121.A O no hydrogen 3.258 N/A VAL 139.A N HIS 147.A O no hydrogen 2.814 N/A GLU 141.A N VAL 139.A O no hydrogen 2.876 N/A THR 142.A OG1 LYS 143.A O no hydrogen 2.980 N/A GLN 146.A N TYR 322.A OH no hydrogen 2.737 N/A HIS 147.A N VAL 139.A O no hydrogen 2.857 N/A HIS 147.A ND1 GLU 141.A OE2 no hydrogen 2.561 N/A HIS 147.A NE2 TYR 316.A OH no hydrogen 2.852 N/A LYS 148.A NZ MET 320.A O no hydrogen 2.384 N/A ILE 149.A N GLY 137.A O no hydrogen 3.112 N/A VAL 151.A N ASP 134.A O no hydrogen 2.643 N/A ILE 155.A N PRO 152.A O no hydrogen 3.374 N/A GLY 157.A N VAL 130.A O no hydrogen 3.041 N/A THR 158.A OG1 GLU 177.A O no hydrogen 2.276 N/A ILE 162.A N GLU 126.A OE2 no hydrogen 3.060 N/A SER 164.A OG GLU 121.A OE2 no hydrogen 2.984 N/A GLY 165.A N PHE 120.A O no hydrogen 2.968 N/A SER 166.A OG GLN 117.A OE1 no hydrogen 2.357 N/A PHE 167.A N TRP 118.A O no hydrogen 3.062 N/A ASP 170.A N THR 168.A OG1 no hydrogen 3.356 N/A ASP 171.A N THR 168.A OG1 no hydrogen 3.334 N/A ILE 173.A N LEU 185.A O no hydrogen 2.911 N/A CYS 174.A N LEU 185.A O no hydrogen 3.321 N/A CYS 174.A SG LYS 161.A O no hydrogen 3.249 N/A ILE 176.A N LYS 183.A O no hydrogen 3.218 N/A THR 178.A OG1 GLY 181.A O no hydrogen 2.637 N/A LYS 183.A N ILE 176.A O no hydrogen 3.255 N/A LEU 185.A N CYS 174.A O no hydrogen 2.589 N/A THR 186.A OG1 MET 188.A O no hydrogen 2.709 N/A MET 188.A N THR 186.A OG1 no hydrogen 3.376 N/A GLN 189.A N LEU 75.A O no hydrogen 3.005 N/A TRP 191.A N VAL 73.A O no hydrogen 3.234 N/A TRP 191.A NE1 ARG 195.A O no hydrogen 2.994 N/A VAL 193.A N LEU 71.A O no hydrogen 2.789 N/A ARG 194.A NH1 GLU 304.A OE2 no hydrogen 3.315 N/A ARG 194.A NH2 GLU 304.A OE1 no hydrogen 2.370 N/A ARG 197.A N GLU 315.A OE1 no hydrogen 3.211 N/A ARG 197.A NE ASP 319.A OD2 no hydrogen 2.483 N/A ARG 197.A NH1 GLN 189.A OE1 no hydrogen 2.793 N/A ARG 197.A NH2 GLN 189.A OE1 no hydrogen 2.950 N/A ARG 197.A NH2 ASP 319.A OD2 no hydrogen 3.098 N/A LYS 200.A N ILE 373.A O no hydrogen 3.174 N/A LYS 202.A NZ GLU 367.A O no hydrogen 2.060 N/A LEU 203.A N ARG 371.A O no hydrogen 2.671 N/A MET 209.A N VAL 222.A O no hydrogen 2.773 N/A ILE 210.A N ASP 250.A OD1 no hydrogen 3.246 N/A THR 211.A N ASP 217.A OD1 no hydrogen 3.175 N/A THR 211.A N ASP 217.A OD2 no hydrogen 3.248 N/A THR 211.A OG1 ASP 217.A OD1 no hydrogen 2.774 N/A THR 211.A OG1 ASP 217.A OD2 no hydrogen 3.459 N/A GLY 212.A N ASP 217.A OD2 no hydrogen 2.894 N/A GLN 213.A N THR 211.A OG1 no hydrogen 3.164 N/A ARG 214.A N GLN 503.A OE1 no hydrogen 2.446 N/A ARG 214.A NE TYR 500.A O no hydrogen 2.572 N/A ARG 214.A NH1 ASP 510.A OD1 no hydrogen 2.587 N/A ARG 214.A NH2 TYR 500.A O no hydrogen 3.014 N/A ASP 217.A N GLN 213.A O no hydrogen 2.879 N/A THR 218.A N ARG 214.A O no hydrogen 3.138 N/A THR 218.A OG1 ARG 214.A O no hydrogen 3.225 N/A THR 218.A OG1 TYR 500.A OH no hydrogen 2.320 N/A THR 218.A OG1 GLN 518.A OE1 no hydrogen 3.465 N/A PHE 219.A N VAL 215.A O no hydrogen 3.350 N/A PHE 220.A N VAL 215.A O no hydrogen 3.321 N/A THR 223.A OG1 PRO 205.A O no hydrogen 3.513 N/A LYS 224.A N VAL 207.A O no hydrogen 2.676 N/A LYS 224.A NZ ASP 323.A OD2 no hydrogen 3.351 N/A GLY 225.A N THR 385.A OG1 no hydrogen 2.688 N/A GLY 226.A N THR 223.A O no hydrogen 2.824 N/A ALA 228.A N ALA 386.A O no hydrogen 2.958 N/A ALA 229.A N VAL 411.A O no hydrogen 3.081 N/A VAL 230.A N SER 388.A O no hydrogen 2.660 N/A GLY 232.A N VAL 390.A O no hydrogen 3.314 N/A ALA 236.A N PRO 233.A O no hydrogen 3.426 N/A LYS 238.A NZ PRO 233.A O no hydrogen 2.687 N/A THR 239.A OG1 ASP 329.A OD2 no hydrogen 3.346 N/A VAL 241.A N GLY 237.A O no hydrogen 3.114 N/A GLN 242.A N LYS 238.A O no hydrogen 2.785 N/A GLN 242.A NE2 ILE 387.A O no hydrogen 3.129 N/A HIS 243.A N THR 239.A O no hydrogen 2.956 N/A GLN 244.A N VAL 240.A O no hydrogen 2.750 N/A GLN 244.A NE2 GLN 213.A OE1 no hydrogen 3.214 N/A GLN 244.A NE2 THR 511.A O no hydrogen 2.833 N/A GLN 244.A NE2 THR 511.A OG1 no hydrogen 2.904 N/A ILE 245.A N VAL 241.A O no hydrogen 2.843 N/A ALA 246.A N GLN 242.A O no hydrogen 2.915 N/A LYS 247.A N HIS 243.A O no hydrogen 2.869 N/A LYS 247.A N GLN 244.A O no hydrogen 3.235 N/A TRP 248.A N GLN 244.A O no hydrogen 3.146 N/A SER 249.A N ILE 245.A O no hydrogen 3.214 N/A SER 249.A OG ILE 245.A O no hydrogen 2.295 N/A ASP 252.A N ASP 323.A O no hydrogen 2.940 N/A VAL 254.A N ARG 288.A O no hydrogen 2.985 N/A VAL 255.A N ALA 325.A O no hydrogen 2.936 N/A TYR 256.A N VAL 290.A O no hydrogen 2.997 N/A VAL 257.A N MET 327.A O no hydrogen 2.702 N/A GLY 258.A N ILE 292.A O no hydrogen 2.714 N/A CYS 259.A SG SER 330.A O no hydrogen 3.125 N/A GLY 260.A N GLU 261.A OE2 no hydrogen 3.097 N/A GLU 261.A N ASN 294.A O no hydrogen 2.955 N/A GLU 265.A N ARG 262.A O no hydrogen 3.053 N/A MET 266.A N ARG 262.A O no hydrogen 2.932 N/A MET 266.A N GLY 263.A O no hydrogen 3.058 N/A THR 267.A N GLY 263.A O no hydrogen 3.033 N/A THR 267.A OG1 ASN 264.A O no hydrogen 3.201 N/A VAL 270.A N MET 266.A O no hydrogen 3.253 N/A ASN 271.A N THR 267.A O no hydrogen 2.900 N/A GLU 272.A N ASP 268.A O no hydrogen 2.805 N/A GLU 275.A N GLU 272.A O no hydrogen 2.983 N/A LEU 276.A N PHE 273.A O no hydrogen 3.221 N/A THR 281.A OG1 GLU 283.A OE1 no hydrogen 2.943 N/A GLU 283.A N THR 281.A OG1 no hydrogen 3.427 N/A LEU 285.A N LEU 276.A O no hydrogen 2.672 N/A GLU 287.A N SER 284.A O no hydrogen 3.224 N/A ARG 288.A N LEU 285.A O no hydrogen 3.028 N/A THR 289.A N MET 286.A O no hydrogen 3.088 N/A THR 289.A OG1 LEU 285.A O no hydrogen 2.609 N/A VAL 290.A N VAL 254.A O no hydrogen 2.818 N/A LEU 291.A N GLN 82.A O no hydrogen 3.240 N/A ILE 292.A N TYR 256.A O no hydrogen 2.876 N/A ALA 293.A N PHE 84.A O no hydrogen 2.951 N/A THR 295.A OG1 ASN 297.A OD1 no hydrogen 2.752 N/A SER 296.A OG GLU 261.A O no hydrogen 3.352 N/A ALA 302.A N PRO 299.A O no hydrogen 3.059 N/A ARG 303.A N PRO 299.A O no hydrogen 3.205 N/A ARG 303.A NH2 GLU 340.A OE2 no hydrogen 3.552 N/A ALA 305.A N ALA 301.A O no hydrogen 2.877 N/A SER 306.A OG ARG 303.A O no hydrogen 3.041 N/A TYR 308.A N ALA 305.A O no hydrogen 3.149 N/A TYR 308.A OH ARG 361.A O no hydrogen 2.532 N/A THR 309.A N ALA 305.A O no hydrogen 2.914 N/A THR 309.A OG1 GLY 86.A O no hydrogen 3.268 N/A THR 309.A OG1 ALA 305.A O no hydrogen 2.913 N/A THR 309.A OG1 SER 306.A O no hydrogen 2.748 N/A GLY 310.A N SER 306.A O no hydrogen 3.190 N/A ILE 311.A N ILE 307.A O no hydrogen 3.071 N/A THR 312.A N TYR 308.A O no hydrogen 3.051 N/A THR 312.A OG1 VAL 193.A O no hydrogen 3.094 N/A THR 312.A OG1 TYR 308.A O no hydrogen 2.325 N/A ILE 313.A N THR 309.A O no hydrogen 3.104 N/A ALA 314.A N GLY 310.A O no hydrogen 2.922 N/A GLU 315.A N ILE 311.A O no hydrogen 3.039 N/A TYR 316.A N THR 312.A O no hydrogen 3.132 N/A TYR 316.A OH HIS 147.A NE2 no hydrogen 2.852 N/A PHE 317.A N ILE 313.A O no hydrogen 3.254 N/A ARG 318.A N ALA 314.A O no hydrogen 2.845 N/A ARG 318.A NH2 ARG 197.A O no hydrogen 3.243 N/A ARG 318.A NH2 ASP 319.A OD1 no hydrogen 3.035 N/A ASP 319.A N GLU 315.A O no hydrogen 2.836 N/A MET 320.A N PHE 317.A O no hydrogen 3.350 N/A GLY 321.A N ARG 318.A O no hydrogen 3.040 N/A TYR 322.A N PHE 317.A O no hydrogen 3.302 N/A TYR 322.A OH GLN 146.A O no hydrogen 2.728 N/A ASP 323.A N ASP 252.A OD2 no hydrogen 3.078 N/A VAL 324.A N SER 383.A O no hydrogen 2.631 N/A ALA 325.A N LEU 253.A O no hydrogen 3.029 N/A ILE 326.A N THR 385.A O no hydrogen 3.035 N/A MET 327.A N VAL 255.A O no hydrogen 2.646 N/A ALA 328.A N ILE 387.A O no hydrogen 2.857 N/A ASP 329.A N VAL 257.A O no hydrogen 3.239 N/A SER 330.A N GLU 261.A OE2 no hydrogen 2.536 N/A SER 330.A OG ALA 389.A O no hydrogen 2.860 N/A SER 330.A OG SER 391.A OG no hydrogen 3.024 N/A THR 331.A N ALA 389.A O no hydrogen 3.013 N/A THR 331.A OG1 ALA 389.A O no hydrogen 3.468 N/A SER 332.A N SER 330.A OG no hydrogen 3.340 N/A SER 332.A OG GLU 399.A OE2 no hydrogen 3.520 N/A TRP 334.A NE1 GLU 304.A O no hydrogen 2.607 N/A ALA 335.A N THR 331.A O no hydrogen 2.928 N/A GLU 336.A N SER 332.A O no hydrogen 3.117 N/A ALA 337.A N TRP 334.A O no hydrogen 3.151 N/A LEU 338.A N TRP 334.A O no hydrogen 3.425 N/A ARG 339.A N ALA 335.A O no hydrogen 2.918 N/A ARG 339.A NH1 GLU 336.A OE2 no hydrogen 2.849 N/A GLU 340.A N GLU 336.A O no hydrogen 3.210 N/A MET 341.A N ALA 337.A O no hydrogen 2.825 N/A SER 342.A N LEU 338.A O no hydrogen 2.899 N/A SER 342.A OG LEU 338.A O no hydrogen 2.922 N/A SER 342.A OG ARG 339.A O no hydrogen 2.974 N/A GLY 343.A N ARG 339.A O no hydrogen 3.316 N/A ARG 344.A N.A GLU 340.A O no hydrogen 3.386 N/A ARG 344.A N.B MET 341.A O no hydrogen 3.287 N/A LEU 345.A N MET 341.A O no hydrogen 3.236 N/A LEU 345.A N SER 342.A O no hydrogen 3.116 N/A GLU 346.A N GLY 343.A O no hydrogen 3.308 N/A GLU 347.A N SER 342.A O no hydrogen 3.445 N/A GLY 350.A N TYR 354.A O no hydrogen 2.678 N/A TYR 354.A N ASP 351.A O no hydrogen 3.310 N/A TYR 357.A OH GLU 347.A OE1 no hydrogen 2.895 N/A TYR 357.A OH GLU 347.A OE2 no hydrogen 3.126 N/A LEU 358.A N PRO 355.A O no hydrogen 3.226 N/A ARG 361.A N TYR 357.A O no hydrogen 2.955 N/A ARG 361.A NH1 GLU 304.A OE2 no hydrogen 2.645 N/A LEU 362.A N LEU 358.A O no hydrogen 3.024 N/A ALA 363.A N GLY 359.A O no hydrogen 2.997 N/A GLU 364.A N SER 360.A O no hydrogen 2.927 N/A TYR 365.A N LEU 362.A O no hydrogen 3.010 N/A TYR 366.A N LEU 362.A O no hydrogen 3.069 N/A TYR 366.A OH SER 388.A OG no hydrogen 3.004 N/A GLU 367.A N ALA 363.A O no hydrogen 3.087 N/A ARG 368.A N TYR 365.A O no hydrogen 3.055 N/A ARG 368.A NE GLU 315.A OE2 no hydrogen 2.805 N/A ARG 368.A NH1 VAL 193.A O no hydrogen 2.877 N/A ARG 368.A NH2 THR 312.A OG1 no hydrogen 3.317 N/A ARG 368.A NH2 GLU 315.A OE1 no hydrogen 2.483 N/A SER 369.A OG TYR 366.A O no hydrogen 2.771 N/A ARG 371.A NE GLU 381.A OE1 no hydrogen 3.366 N/A ARG 371.A NH1 ASN 204.A O no hydrogen 2.988 N/A ARG 371.A NH2 GLU 381.A OE2 no hydrogen 3.243 N/A VAL 372.A N GLY 382.A O no hydrogen 2.811 N/A ILE 373.A N GLN 201.A O no hydrogen 2.950 N/A ALA 374.A N ARG 380.A O no hydrogen 3.049 N/A SER 377.A N ASP 134.A OD1 no hydrogen 3.309 N/A GLN 379.A N GLY 376.A O no hydrogen 3.146 N/A ARG 380.A NE ASP 319.A O no hydrogen 3.057 N/A ARG 380.A NE MET 320.A O no hydrogen 3.116 N/A ARG 380.A NH2 GLY 133.A O no hydrogen 2.455 N/A ARG 380.A NH2 ASP 319.A O no hydrogen 3.058 N/A GLY 382.A N VAL 372.A O no hydrogen 3.178 N/A SER 383.A N TYR 322.A O no hydrogen 3.376 N/A SER 383.A OG ASP 323.A OD1 no hydrogen 2.936 N/A ILE 384.A N GLY 370.A O no hydrogen 3.416 N/A THR 385.A N VAL 324.A O no hydrogen 2.898 N/A ALA 386.A N GLY 226.A O no hydrogen 3.377 N/A ILE 387.A N ILE 326.A O no hydrogen 3.131 N/A SER 388.A N ALA 228.A O no hydrogen 3.109 N/A SER 388.A OG TYR 366.A OH no hydrogen 3.004 N/A ALA 389.A N ALA 328.A O no hydrogen 2.674 N/A VAL 390.A N VAL 230.A O no hydrogen 2.773 N/A SER 391.A N SER 332.A OG no hydrogen 2.530 N/A SER 391.A OG SER 330.A OG no hydrogen 3.024 N/A SER 398.A N ASP 396.A OD1 no hydrogen 3.093 N/A SER 398.A OG ASP 396.A OD1 no hydrogen 2.716 N/A GLU 399.A N ASP 396.A O no hydrogen 3.365 N/A THR 402.A OG1 GLU 399.A OE1 no hydrogen 2.837 N/A GLN 403.A N GLU 399.A O no hydrogen 2.960 N/A GLN 403.A NE2 ILE 397.A O no hydrogen 2.562 N/A ASN 404.A N PRO 400.A O no hydrogen 3.156 N/A ASN 404.A ND2 PRO 400.A O no hydrogen 2.407 N/A THR 405.A N VAL 401.A O no hydrogen 3.070 N/A THR 405.A OG1 VAL 401.A O no hydrogen 2.417 N/A LEU 406.A N THR 402.A O no hydrogen 2.966 N/A ARG 407.A NH1 ASN 404.A OD1 no hydrogen 2.799 N/A VAL 408.A N THR 405.A O no hydrogen 3.088 N/A VAL 409.A N THR 405.A O no hydrogen 3.038 N/A LYS 410.A N ALA 227.A O no hydrogen 3.207 N/A LYS 410.A NZ VAL 408.A O no hydrogen 3.414 N/A VAL 411.A N ALA 227.A O no hydrogen 2.885 N/A PHE 412.A N TYR 434.A O no hydrogen 2.959 N/A TRP 413.A N ALA 229.A O no hydrogen 3.077 N/A TRP 413.A NE1 PHE 220.A O no hydrogen 2.936 N/A GLY 414.A N SER 433.A OG no hydrogen 3.015 N/A LEU 415.A N PRO 231.A O no hydrogen 3.163 N/A ASP 416.A N SER 427.A O no hydrogen 3.036 N/A SER 418.A N ASP 416.A OD1 no hydrogen 2.650 N/A GLN 421.A N SER 417.A O no hydrogen 3.468 N/A HIS 424.A N LEU 419.A O no hydrogen 2.832 N/A SER 427.A OG ALA 236.A O no hydrogen 3.057 N/A ASN 429.A N GLY 414.A O no hydrogen 2.589 N/A ILE 431.A N ASN 429.A OD1 no hydrogen 2.930 N/A GLN 432.A N ASN 429.A OD1 no hydrogen 3.277 N/A SER 433.A N ASN 429.A O no hydrogen 3.136 N/A SER 433.A OG ASN 429.A O no hydrogen 2.566 N/A TYR 434.A N PHE 412.A O no hydrogen 3.155 N/A SER 435.A OG PRO 221.A O no hydrogen 2.765 N/A LEU 436.A N LYS 410.A O no hydrogen 2.887 N/A TYR 437.A N SER 435.A OG no hydrogen 3.223 N/A SER 438.A N SER 435.A O no hydrogen 3.406 N/A VAL 441.A N TYR 437.A O no hydrogen 2.876 N/A GLY 442.A N SER 438.A O no hydrogen 3.170 N/A ARG 443.A N GLU 440.A O no hydrogen 3.192 N/A TYR 444.A N GLU 440.A O no hydrogen 2.957 N/A MET 445.A N VAL 441.A O no hydrogen 2.955 N/A GLN 447.A N TYR 444.A O no hydrogen 3.031 N/A ILE 448.A N TYR 444.A O no hydrogen 3.189 N/A LEU 449.A N MET 445.A O no hydrogen 3.277 N/A ASP 452.A N GLN 451.A OE1 no hydrogen 2.889 N/A SER 454.A N ASP 446.A OD1 no hydrogen 2.892 N/A SER 454.A OG ASP 446.A OD1 no hydrogen 3.169 N/A SER 454.A OG ASP 446.A OD2 no hydrogen 2.536 N/A MET 456.A N ASP 452.A O no hydrogen 2.976 N/A VAL 457.A N TRP 453.A O no hydrogen 2.862 N/A THR 458.A N SER 454.A O no hydrogen 3.114 N/A THR 458.A OG1 SER 454.A O no hydrogen 2.578 N/A GLU 459.A N ASP 455.A O no hydrogen 2.991 N/A GLY 460.A N MET 456.A O no hydrogen 2.692 N/A MET 461.A N VAL 457.A O no hydrogen 2.928 N/A ARG 462.A N THR 458.A O no hydrogen 2.877 N/A ILE 463.A N GLU 459.A O no hydrogen 2.973 N/A LEU 464.A N MET 461.A O no hydrogen 2.705 N/A GLN 465.A N MET 461.A O no hydrogen 2.911 N/A GLU 466.A N ARG 462.A O no hydrogen 3.136 N/A GLU 467.A N ILE 463.A O no hydrogen 3.113 N/A GLU 468.A N LEU 464.A O no hydrogen 3.301 N/A GLN 469.A N GLN 465.A O no hydrogen 3.159 N/A LEU 470.A N GLU 466.A O no hydrogen 2.727 N/A ASN 471.A N GLU 467.A O no hydrogen 2.536 N/A GLU 472.A N GLU 468.A O no hydrogen 3.250 N/A ILE 473.A N GLN 469.A O no hydrogen 3.381 N/A VAL 474.A N LEU 470.A O no hydrogen 2.942 N/A ARG 475.A N ASN 471.A O no hydrogen 3.010 N/A LEU 476.A N GLU 472.A O no hydrogen 2.917 N/A GLY 478.A N VAL 474.A O no hydrogen 2.870 N/A SER 483.A OG SER 483.A O no hydrogen 2.394 N/A ASN 485.A N SER 483.A O no hydrogen 2.390 N/A ASN 485.A ND2 SER 483.A O no hydrogen 3.605 N/A ARG 487.A N LEU 482.A O no hydrogen 3.334 N/A LEU 488.A N ASP 484.A O no hydrogen 2.951 N/A THR 489.A N ASN 485.A O no hydrogen 3.094 N/A THR 489.A OG1 ASN 485.A O no hydrogen 2.858 N/A LEU 490.A N ASP 486.A O no hydrogen 3.262 N/A GLU 491.A N ARG 487.A O no hydrogen 3.304 N/A VAL 492.A N LEU 488.A O no hydrogen 2.820 N/A ALA 493.A N THR 489.A O no hydrogen 2.919 N/A LYS 494.A N LEU 490.A O no hydrogen 2.816 N/A SER 495.A N GLU 491.A O no hydrogen 2.964 N/A SER 495.A OG ASP 499.A OD2 no hydrogen 2.792 N/A ILE 496.A N VAL 492.A O no hydrogen 2.880 N/A ARG 497.A N ALA 493.A O no hydrogen 2.824 N/A ARG 497.A NE GLU 467.A OE1 no hydrogen 2.961 N/A GLU 498.A N LYS 494.A O no hydrogen 2.968 N/A ASP 499.A N SER 495.A O no hydrogen 2.752 N/A TYR 500.A N ILE 496.A O no hydrogen 3.174 N/A TYR 500.A OH THR 218.A OG1 no hydrogen 2.320 N/A LEU 501.A N ILE 496.A O no hydrogen 2.863 N/A GLN 502.A N ARG 497.A O no hydrogen 3.188 N/A GLN 502.A NE2 HIS 424.A ND1 no hydrogen 3.099 N/A GLN 503.A N PHE 425.A O no hydrogen 2.889 N/A GLN 503.A NE2 GLY 212.A O no hydrogen 3.604 N/A GLN 503.A NE2 ASP 510.A O no hydrogen 2.731 N/A ASN 504.A N ASP 510.A OD2 no hydrogen 3.067 N/A PHE 506.A N ASN 504.A OD1 no hydrogen 2.784 N/A VAL 509.A N ASP 507.A OD1 no hydrogen 2.934 N/A ASP 510.A N ASP 507.A OD1 no hydrogen 2.725 N/A THR 511.A N ASP 507.A O no hydrogen 3.188 N/A THR 511.A OG1 GLN 244.A OE1 no hydrogen 2.834 N/A THR 511.A OG1 ALA 505.A O no hydrogen 3.066 N/A THR 513.A N GLY 212.A O no hydrogen 3.173 N/A SER 514.A OG GLU 564.A OE2 no hydrogen 2.256 N/A LYS 517.A NZ LYS 560.A O no hydrogen 2.516 N/A LYS 517.A NZ ILE 562.A O no hydrogen 2.906 N/A GLN 518.A N SER 514.A O no hydrogen 2.746 N/A GLN 518.A NE2 ASP 217.A OD2 no hydrogen 3.140 N/A GLN 518.A NE2 THR 513.A O no hydrogen 2.847 N/A PHE 519.A N ARG 515.A O no hydrogen 2.978 N/A ASN 520.A ND2 GLU 516.A O no hydrogen 2.569 N/A MET 521.A N LYS 517.A O no hydrogen 3.017 N/A LEU 522.A N GLN 518.A O no hydrogen 3.282 N/A LYS 523.A N PHE 519.A O no hydrogen 2.893 N/A VAL 524.A N ASN 520.A O no hydrogen 3.070 N/A ILE 525.A N MET 521.A O no hydrogen 3.323 N/A LEU 526.A N LEU 522.A O no hydrogen 2.979 N/A THR 527.A N LYS 523.A O no hydrogen 2.923 N/A THR 527.A OG1 LYS 523.A O no hydrogen 2.346 N/A THR 527.A OG1 VAL 524.A O no hydrogen 2.975 N/A THR 527.A OG1 ASN 574.A OD1 no hydrogen 2.532 N/A PHE 528.A N VAL 524.A O no hydrogen 3.098 N/A PHE 528.A N ILE 525.A O no hydrogen 3.274 N/A GLY 529.A N ILE 525.A O no hydrogen 3.356 N/A LYS 530.A N LEU 526.A O no hydrogen 2.898 N/A GLU 531.A N THR 527.A O no hydrogen 3.043 N/A ALA 532.A N PHE 528.A O no hydrogen 3.155 N/A ARG 533.A N GLY 529.A O no hydrogen 3.209 N/A ARG 533.A NE ASN 485.A OD1 no hydrogen 3.093 N/A ARG 533.A NH2 ASN 485.A O no hydrogen 3.210 N/A ARG 533.A NH2 THR 489.A OG1 no hydrogen 2.993 N/A LYS 534.A N LYS 530.A O no hydrogen 3.217 N/A LYS 534.A NZ GLU 531.A OE1 no hydrogen 3.343 N/A LYS 534.A NZ GLU 531.A OE2 no hydrogen 3.350 N/A ALA 535.A N GLU 531.A O no hydrogen 3.306 N/A LEU 536.A N ALA 532.A O no hydrogen 2.906 N/A SER 537.A OG LYS 534.A O no hydrogen 3.248 N/A ALA 540.A N LEU 536.A O no hydrogen 3.254 N/A TYR 541.A N GLU 544.A OE2 no hydrogen 3.373 N/A GLU 544.A N TYR 541.A O no hydrogen 3.123 N/A ILE 545.A N PHE 542.A O no hydrogen 3.232 N/A MET 546.A N PHE 542.A O no hydrogen 3.425 N/A GLU 547.A N GLU 544.A O no hydrogen 3.329 N/A GLY 548.A N GLU 544.A O no hydrogen 3.185 N/A GLY 548.A N ILE 545.A O no hydrogen 3.048 N/A THR 549.A OG1 ILE 545.A O no hydrogen 2.415 N/A ARG 553.A N THR 549.A O no hydrogen 3.181 N/A ARG 553.A NE THR 549.A O no hydrogen 2.603 N/A ARG 553.A NE THR 549.A OG1 no hydrogen 2.874 N/A ARG 555.A N ALA 551.A O no hydrogen 3.252 N/A ILE 556.A N VAL 552.A O no hydrogen 3.171 N/A SER 557.A N ARG 553.A O no hydrogen 2.964 N/A SER 557.A OG ASP 499.A OD1 no hydrogen 3.306 N/A ARG 558.A N ARG 555.A O no hydrogen 3.180 N/A SER 559.A N ILE 556.A O no hydrogen 3.349 N/A SER 559.A OG ILE 556.A O no hydrogen 2.753 N/A LYS 560.A NZ GLN 502.A O no hydrogen 3.329 N/A TYR 561.A N ARG 558.A O no hydrogen 3.156 N/A ILE 562.A N SER 559.A O no hydrogen 3.324 N/A GLU 566.A N PRO 563.A O no hydrogen 3.126 N/A LYS 569.A N GLU 566.A O no hydrogen 3.154 N/A ILE 570.A N LEU 567.A O no hydrogen 3.266 N/A SER 571.A OG ASN 520.A OD1 no hydrogen 3.038 N/A SER 572.A N ALA 568.A O no hydrogen 2.934 N/A SER 572.A OG ALA 568.A O no hydrogen 3.050 N/A ILE 573.A N LYS 569.A O no hydrogen 3.116 N/A ASN 574.A N ILE 570.A O no hydrogen 3.383 N/A GLU 576.A N SER 572.A O no hydrogen 3.314 N/A GLU 576.A N ILE 573.A O no hydrogen 3.129 N/A ILE 577.A N ILE 573.A O no hydrogen 3.398 N/A THR 580.A N GLU 576.A O no hydrogen 3.350 N/A THR 580.A OG1 GLY 548.A O no hydrogen 3.121 N/A LEU 583.A N GLU 579.A O no hydrogen 3.063 N/A VAL 585.A N ILE 581.A O no hydrogen 2.970 N/A SER 586.A N GLN 582.A O no hydrogen 3.034 N/A