Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4z53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ILE 38.A O no hydrogen 2.797 N/A GLN 6.A N ARG 33.A O no hydrogen 2.944 N/A ALA 11.A N ASN 9.A OD1 no hydrogen 2.784 N/A LYS 12.A N ASN 9.A O no hydrogen 3.347 N/A LYS 12.A N ASN 9.A OD1 no hydrogen 3.115 N/A ASN 13.A N ASN 9.A O no hydrogen 2.828 N/A ASN 13.A ND2 SER 7.A O no hydrogen 3.131 N/A GLU 14.A N PHE 35.A O no hydrogen 2.891 N/A LEU 15.A N LYS 86.A O no hydrogen 3.092 N/A TYR 16.A N ALA 37.A O no hydrogen 3.288 N/A LEU 17.A N ILE 88.A O no hydrogen 2.631 N/A VAL 18.A N LEU 39.A O no hydrogen 3.133 N/A GLU 19.A N MET 90.A O no hydrogen 3.056 N/A GLY 20.A N LEU 41.A O no hydrogen 3.196 N/A GLY 24.A N GLY 20.A O no hydrogen 2.982 N/A GLY 25.A N ASP 21.A O no hydrogen 2.798 N/A GLY 25.A N SER 22.A O no hydrogen 3.045 N/A SER 26.A N SER 22.A O no hydrogen 3.249 N/A ALA 27.A N ALA 23.A O no hydrogen 2.999 N/A LYS 28.A N GLY 24.A O no hydrogen 3.156 N/A GLN 29.A N GLY 25.A O no hydrogen 3.068 N/A GLY 30.A N SER 26.A O no hydrogen 3.165 N/A ARG 31.A NE GLN 36.A O no hydrogen 2.901 N/A ARG 31.A NH1 LYS 28.A O no hydrogen 3.027 N/A ARG 31.A NH2 PRO 4.A O no hydrogen 3.389 N/A ASP 32.A N GLN 36.A OE1 no hydrogen 2.945 N/A LYS 34.A N ASP 32.A OD2 no hydrogen 3.354 N/A PHE 35.A N ASP 32.A O no hydrogen 3.237 N/A GLN 36.A N ASP 32.A O no hydrogen 3.057 N/A GLN 36.A NE2 GLU 14.A OE1 no hydrogen 3.287 N/A GLN 36.A NE2 MET 164.A O no hydrogen 3.035 N/A ALA 37.A N GLU 14.A O no hydrogen 3.007 N/A ILE 38.A N THR 3.A O no hydrogen 2.772 N/A LEU 39.A N TYR 16.A O no hydrogen 3.034 N/A LEU 41.A N VAL 18.A O no hydrogen 2.796 N/A GLY 43.A N LEU 41.A O no hydrogen 3.198 N/A LYS 44.A NZ ASP 96.A OD1 no hydrogen 2.725 N/A LYS 44.A NZ HIS 99.A ND1 no hydrogen 2.912 N/A LYS 44.A NZ TYR 226.A OH no hydrogen 3.489 N/A ASN 47.A ND2 MET 190.A O no hydrogen 3.508 N/A THR 48.A OG1 THR 106.A OG1 no hydrogen 3.336 N/A ALA 49.A N ASN 47.A OD1 no hydrogen 2.877 N/A LYS 50.A N ASN 47.A O no hydrogen 3.193 N/A ALA 51.A N ASN 47.A O no hydrogen 3.369 N/A ILE 56.A N LYS 52.A O no hydrogen 2.870 N/A LEU 57.A N MET 53.A O no hydrogen 3.259 N/A LEU 57.A N ALA 54.A O no hydrogen 3.082 N/A LYS 58.A N ALA 54.A O no hydrogen 3.406 N/A ILE 62.A N ASN 59.A OD1 no hydrogen 2.850 N/A ASN 63.A N ASN 59.A O no hydrogen 2.720 N/A ASN 63.A ND2 LEU 57.A O no hydrogen 3.277 N/A THR 64.A N GLU 60.A O no hydrogen 3.002 N/A THR 64.A OG1 GLU 60.A O no hydrogen 3.561 N/A THR 64.A OG1 GLU 61.A O no hydrogen 3.557 N/A ILE 66.A N ILE 62.A O no hydrogen 3.132 N/A TYR 67.A N ASN 63.A O no hydrogen 2.810 N/A THR 68.A N THR 64.A O no hydrogen 2.660 N/A ILE 69.A N MET 65.A O no hydrogen 2.767 N/A GLY 70.A N ILE 66.A O no hydrogen 3.312 N/A PHE 77.A N ALA 75.A O no hydrogen 2.762 N/A ASP 81.A N SER 78.A O no hydrogen 3.367 N/A ASN 83.A ND2 THR 68.A O no hydrogen 3.495 N/A ASP 85.A N ASN 13.A O no hydrogen 2.982 N/A ILE 87.A N HIS 120.A O no hydrogen 2.863 N/A ILE 88.A N LEU 15.A O no hydrogen 2.880 N/A ILE 89.A N TYR 122.A O no hydrogen 3.157 N/A MET 90.A N LEU 17.A O no hydrogen 2.885 N/A THR 91.A OG1 ASP 92.A O no hydrogen 3.001 N/A ASP 92.A N GLU 19.A OE2 no hydrogen 2.640 N/A GLY 97.A N ASP 94.A OD1 no hydrogen 2.879 N/A ALA 98.A N ASP 94.A O no hydrogen 3.191 N/A HIS 99.A N THR 95.A O no hydrogen 3.034 N/A ILE 100.A N ASP 96.A O no hydrogen 3.062 N/A GLN 101.A N GLY 97.A O no hydrogen 2.979 N/A GLN 101.A NE2 THR 91.A OG1 no hydrogen 2.789 N/A THR 102.A N ALA 98.A O no hydrogen 3.084 N/A THR 102.A OG1 ALA 98.A O no hydrogen 3.152 N/A LEU 103.A N HIS 99.A O no hydrogen 3.150 N/A LEU 104.A N ILE 100.A O no hydrogen 3.032 N/A LEU 105.A N GLN 101.A O no hydrogen 3.168 N/A THR 106.A N THR 102.A O no hydrogen 3.299 N/A THR 106.A OG1 THR 48.A OG1 no hydrogen 3.336 N/A PHE 108.A N LEU 104.A O no hydrogen 3.069 N/A TYR 109.A N LEU 105.A O no hydrogen 2.960 N/A TYR 109.A OH GLU 183.A OE1 no hydrogen 2.899 N/A ARG 110.A N THR 106.A O no hydrogen 3.099 N/A TYR 111.A N PHE 107.A O no hydrogen 2.931 N/A LEU 115.A N MET 112.A O no hydrogen 2.884 N/A VAL 116.A N MET 112.A O no hydrogen 3.472 N/A GLU 117.A N ARG 113.A O no hydrogen 2.654 N/A GLY 119.A N VAL 116.A O no hydrogen 3.003 N/A HIS 120.A N LEU 115.A O no hydrogen 3.309 N/A HIS 120.A ND1 ASP 85.A O no hydrogen 2.389 N/A TYR 122.A N ILE 87.A O no hydrogen 3.224 N/A TYR 122.A OH GLY 119.A O no hydrogen 3.167 N/A ALA 124.A N ILE 89.A O no hydrogen 2.946 N/A LEU 128.A N ALA 133.A O no hydrogen 3.274 N/A TYR 129.A N ALA 133.A O no hydrogen 3.077 N/A LYS 130.A N GLN 146.A O no hydrogen 3.149 N/A ALA 133.A N TYR 129.A O no hydrogen 3.272 N/A TRP 134.A NE1 LEU 125.A O no hydrogen 2.619 N/A GLU 138.A N THR 135.A O no hydrogen 3.000 N/A ARG 143.A N LEU 139.A O no hydrogen 2.789 N/A ARG 143.A N GLU 140.A O no hydrogen 3.134 N/A LYS 144.A N GLU 141.A O no hydrogen 3.320 N/A GLN 146.A N LYS 130.A O no hydrogen 3.191 N/A TYR 148.A N LEU 128.A O no hydrogen 3.282 N/A LEU 151.A N ASP 92.A OD1 no hydrogen 3.512 N/A MET 154.A N LEU 151.A O no hydrogen 2.908 N/A GLN 158.A N ASN 155.A O no hydrogen 2.834 N/A LEU 159.A N ASN 155.A O no hydrogen 2.996 N/A TRP 160.A N ALA 156.A O no hydrogen 3.376 N/A THR 162.A N GLN 158.A O no hydrogen 3.157 N/A THR 162.A OG1 GLN 158.A O no hydrogen 2.870 N/A THR 162.A OG1 LEU 159.A O no hydrogen 3.420 N/A THR 163.A N LEU 159.A O no hydrogen 2.950 N/A MET 164.A N TRP 160.A O no hydrogen 3.079 N/A ASN 165.A N TRP 160.A O no hydrogen 2.820 N/A GLU 167.A N ASN 165.A OD1 no hydrogen 3.512 N/A THR 168.A N ASN 165.A O no hydrogen 2.762 N/A ARG 169.A N ASN 165.A O no hydrogen 2.700 N/A ARG 169.A NH1 GLU 14.A OE1 no hydrogen 2.650 N/A ARG 169.A NH1 GLU 14.A OE2 no hydrogen 3.475 N/A ARG 169.A NH1 MET 164.A O no hydrogen 3.474 N/A ARG 169.A NH2 GLU 14.A OE1 no hydrogen 3.406 N/A ARG 169.A NH2 GLU 14.A OE2 no hydrogen 2.843 N/A LEU 171.A N ASN 209.A O no hydrogen 3.275 N/A ILE 172.A N ILE 123.A O no hydrogen 3.323 N/A ARG 173.A N GLN 211.A O no hydrogen 2.789 N/A VAL 174.A N VAL 121.A O no hydrogen 2.891 N/A THR 175.A N MET 213.A O no hydrogen 3.005 N/A THR 175.A OG1 MET 213.A O no hydrogen 3.316 N/A ALA 180.A N ASP 178.A OD1 no hydrogen 2.952 N/A ARG 181.A N ASP 178.A OD1 no hydrogen 3.147 N/A GLU 183.A N LEU 179.A O no hydrogen 3.192 N/A ARG 185.A NH1 GLU 216.A O no hydrogen 3.032 N/A VAL 186.A N ALA 182.A O no hydrogen 3.248 N/A ASN 187.A N GLU 183.A O no hydrogen 3.077 N/A VAL 188.A N ARG 184.A O no hydrogen 2.735 N/A LEU 189.A N ARG 185.A O no hydrogen 3.021 N/A MET 190.A N VAL 186.A O no hydrogen 3.038 N/A ARG 197.A NE LEU 189.A O no hydrogen 2.728 N/A ARG 197.A NH2 VAL 188.A O no hydrogen 3.558 N/A ARG 197.A NH2 GLY 191.A O no hydrogen 2.507 N/A ARG 198.A N VAL 194.A O no hydrogen 2.983 N/A LYS 199.A N GLU 195.A O no hydrogen 3.087 N/A TRP 200.A N PRO 196.A O no hydrogen 2.980 N/A ILE 201.A N ARG 197.A O no hydrogen 2.867 N/A GLU 202.A N ARG 198.A O no hydrogen 2.965 N/A ASP 203.A N LYS 199.A O no hydrogen 2.867 N/A ASN 204.A N TRP 200.A O no hydrogen 3.019 N/A VAL 205.A N ILE 201.A O no hydrogen 2.752 N/A GLN 211.A N LEU 171.A O no hydrogen 2.728 N/A MET 213.A N ARG 173.A O no hydrogen 3.067 N/A LEU 215.A N THR 175.A O no hydrogen 2.976 N/A GLU 216.A N SER 214.A OG no hydrogen 3.243 N/A ILE 218.A N SER 214.A O no hydrogen 2.898 N/A MET 219.A N LEU 215.A O no hydrogen 3.035 N/A GLY 220.A N ASP 217.A O no hydrogen 3.188 N/A GLU 221.A N ASP 217.A O no hydrogen 3.315 N/A ARG 222.A NE GLN 101.A OE1 no hydrogen 2.983 N/A GLY 224.A N GLY 220.A O no hydrogen 2.746 N/A TYR 226.A N ARG 222.A O no hydrogen 2.956 N/A SER 227.A N PHE 223.A O no hydrogen 2.837 N/A LYS 228.A N GLY 224.A O no hydrogen 3.276 N/A LYS 228.A NZ LYS 206.A O no hydrogen 2.883 N/A TYR 229.A N ARG 225.A O no hydrogen 3.278 N/A ILE 230.A N TYR 226.A O no hydrogen 2.941 N/A ILE 231.A N SER 227.A O no hydrogen 3.025 N/A GLN 232.A N LYS 228.A O no hydrogen 3.031 N/A GLN 232.A NE2 PHE 207.A O no hydrogen 3.375 N/A GLN 232.A NE2 PHE 541.A O no hydrogen 2.710 N/A ASP 233.A N TYR 229.A O no hydrogen 2.679 N/A ARG 234.A NH2 ASP 96.A OD1 no hydrogen 2.881 N/A ALA 235.A N ILE 230.A O no hydrogen 3.096 N/A ASP 238.A N LEU 243.A O no hydrogen 3.040 N/A ILE 239.A N ILE 538.A O no hydrogen 3.143 N/A ARG 240.A N ASP 238.A OD2 no hydrogen 3.006 N/A ARG 240.A NE ASP 238.A OD2 no hydrogen 3.050 N/A GLY 242.A N ASP 238.A O no hydrogen 2.897 N/A LEU 243.A N ASP 241.A OD1 no hydrogen 2.936 N/A LYS 244.A N GLN 247.A OE1 no hydrogen 2.830 N/A LYS 244.A NZ THR 374.A O no hydrogen 2.675 N/A ARG 248.A N LYS 244.A O no hydrogen 3.039 N/A ARG 248.A NE ASP 241.A OD2 no hydrogen 2.949 N/A ARG 248.A NH2 ASP 241.A OD1 no hydrogen 2.998 N/A ARG 248.A NH2 ASP 241.A OD2 no hydrogen 3.312 N/A ARG 249.A N PRO 245.A O no hydrogen 3.040 N/A ARG 249.A NE GLU 357.A OE2 no hydrogen 2.885 N/A ARG 249.A NH1 HIS 280.A ND1 no hydrogen 3.020 N/A ARG 249.A NH2 GLU 357.A OE1 no hydrogen 3.072 N/A ILE 250.A N VAL 246.A O no hydrogen 2.939 N/A LEU 251.A N GLN 247.A O no hydrogen 2.967 N/A TYR 252.A N ARG 248.A O no hydrogen 2.837 N/A SER 253.A N ARG 249.A O no hydrogen 2.752 N/A MET 254.A N ILE 250.A O no hydrogen 3.115 N/A ASN 255.A N LEU 251.A O no hydrogen 2.853 N/A LYS 256.A N TYR 252.A O no hydrogen 2.794 N/A ASP 257.A N SER 253.A O no hydrogen 2.863 N/A SER 258.A N ASN 255.A O no hydrogen 2.872 N/A ASN 259.A N MET 254.A O no hydrogen 2.921 N/A ASN 259.A ND2 ALA 327.A O no hydrogen 3.147 N/A THR 260.A OG1 ASP 262.A OD1 no hydrogen 2.532 N/A ASP 262.A N ASP 262.A OD1 no hydrogen 2.541 N/A LYS 263.A N THR 260.A O no hydrogen 3.110 N/A LYS 263.A NZ ASP 262.A OD2 no hydrogen 3.470 N/A ARG 266.A N ALA 327.A O no hydrogen 3.051 N/A ARG 266.A NH2 ASP 257.A O no hydrogen 2.801 N/A SER 268.A N THR 325.A O no hydrogen 2.793 N/A SER 268.A OG THR 325.A O no hydrogen 2.913 N/A SER 268.A OG THR 325.A OG1 no hydrogen 2.464 N/A ALA 269.A N MET 322.A O no hydrogen 3.260 N/A LYS 270.A N LYS 267.A O no hydrogen 2.901 N/A SER 271.A N LYS 267.A O no hydrogen 3.253 N/A VAL 272.A N SER 268.A O no hydrogen 2.905 N/A GLY 273.A N ALA 269.A O no hydrogen 3.118 N/A ASN 274.A N LYS 270.A O no hydrogen 3.305 N/A ASN 274.A ND2 ASP 257.A OD2 no hydrogen 3.198 N/A ILE 275.A N SER 271.A O no hydrogen 2.941 N/A MET 276.A N VAL 272.A O no hydrogen 2.937 N/A ASN 278.A N ASN 274.A O no hydrogen 3.133 N/A PHE 279.A N ILE 275.A O no hydrogen 2.970 N/A HIS 280.A N ILE 275.A O no hydrogen 2.976 N/A ILE 287.A N GLY 283.A O no hydrogen 3.370 N/A TYR 288.A N ASP 284.A O no hydrogen 2.912 N/A TYR 288.A OH ALA 320.A O no hydrogen 2.816 N/A TYR 288.A OH THR 325.A OG1 no hydrogen 2.591 N/A ASP 289.A N SER 285.A O no hydrogen 2.787 N/A ALA 290.A N SER 286.A O no hydrogen 2.911 N/A MET 291.A N ILE 287.A O no hydrogen 3.003 N/A VAL 292.A N TYR 288.A O no hydrogen 2.723 N/A ARG 293.A N ASP 289.A O no hydrogen 3.012 N/A MET 294.A N ALA 290.A O no hydrogen 3.044 N/A SER 295.A N VAL 292.A O no hydrogen 2.952 N/A SER 295.A OG VAL 292.A O no hydrogen 2.542 N/A GLN 296.A N ARG 293.A O no hydrogen 3.101 N/A LYS 299.A N GLN 296.A O no hydrogen 3.146 N/A ASN 300.A N GLN 296.A O no hydrogen 3.101 N/A ARG 301.A NE ASP 418.A OD2 no hydrogen 3.227 N/A ARG 301.A NH1 ARG 301.A O no hydrogen 3.137 N/A ARG 301.A NH1 THR 682.A OG1 no hydrogen 3.338 N/A ARG 301.A NH2 ASP 418.A OD2 no hydrogen 3.189 N/A ARG 301.A NH2 THR 682.A OG1 no hydrogen 2.979 N/A GLU 302.A N ASN 371.A OD1 no hydrogen 2.877 N/A LEU 304.A N MET 294.A O no hydrogen 3.135 N/A VAL 305.A N MET 294.A O no hydrogen 3.066 N/A GLU 306.A N ARG 328.A O no hydrogen 2.708 N/A ASN 310.A ND2 PRO 318.A O no hydrogen 3.314 N/A ASN 311.A ND2 SER 295.A OG no hydrogen 3.314 N/A GLY 312.A N ASN 310.A OD1 no hydrogen 3.075 N/A SER 313.A OG ASP 317.A OD1 no hydrogen 3.328 N/A SER 313.A OG ASP 317.A OD2 no hydrogen 2.721 N/A ASP 315.A N SER 313.A OG no hydrogen 3.104 N/A GLY 316.A N SER 313.A O no hydrogen 2.991 N/A ALA 320.A N ASN 310.A O no hydrogen 2.730 N/A TYR 324.A N ALA 321.A O no hydrogen 2.647 N/A THR 325.A OG1 SER 268.A OG no hydrogen 2.464 N/A THR 325.A OG1 TYR 288.A OH no hydrogen 2.591 N/A GLU 326.A N HIS 308.A O no hydrogen 3.447 N/A ALA 327.A N ARG 266.A O no hydrogen 2.818 N/A ARG 328.A N GLU 306.A O no hydrogen 2.810 N/A ARG 328.A NE GLU 306.A OE2 no hydrogen 3.205 N/A ARG 328.A NH1 LYS 263.A O no hydrogen 2.874 N/A LEU 329.A N ASN 259.A O no hydrogen 3.161 N/A SER 330.A N LEU 304.A O no hydrogen 2.896 N/A SER 330.A OG ILE 303.A O no hydrogen 2.647 N/A ALA 333.A N SER 330.A OG no hydrogen 3.315 N/A GLY 334.A N SER 330.A O no hydrogen 3.229 N/A GLY 334.A N GLU 331.A O no hydrogen 3.021 N/A TYR 335.A N ILE 332.A O no hydrogen 2.780 N/A LEU 336.A N ILE 332.A O no hydrogen 3.433 N/A LEU 337.A N GLY 334.A O no hydrogen 2.998 N/A GLN 338.A N TYR 335.A O no hydrogen 3.274 N/A ILE 340.A N LEU 337.A O no hydrogen 3.044 N/A GLU 341.A N GLU 341.A OE1 no hydrogen 2.574 N/A LYS 342.A N ASP 339.A O no hydrogen 3.148 N/A LYS 342.A NZ ASP 570.A OD1 no hydrogen 2.886 N/A LYS 342.A NZ ASP 570.A OD2 no hydrogen 3.011 N/A THR 344.A OG1 ASP 339.A O no hydrogen 2.930 N/A ALA 348.A N GLU 357.A O no hydrogen 2.699 N/A ASN 350.A N GLU 355.A O no hydrogen 2.889 N/A ASN 350.A ND2 ASN 278.A O no hydrogen 2.764 N/A ASP 353.A N ASN 350.A O no hydrogen 2.999 N/A THR 354.A N ASN 350.A OD1 no hydrogen 2.891 N/A GLU 355.A N ASN 350.A OD1 no hydrogen 3.111 N/A GLU 357.A N ALA 348.A O no hydrogen 2.631 N/A THR 359.A N PRO 346.A O no hydrogen 2.901 N/A THR 359.A OG1 PRO 346.A O no hydrogen 2.930 N/A LEU 361.A N ASP 241.A OD2 no hydrogen 2.811 N/A ALA 363.A N LEU 336.A O no hydrogen 3.133 N/A ALA 364.A N TYR 335.A O no hydrogen 3.112 N/A ASN 367.A ND2 ASP 241.A O no hydrogen 3.371 N/A ASN 367.A ND2 GLY 242.A O no hydrogen 3.666 N/A VAL 370.A N PRO 366.A O no hydrogen 3.155 N/A ASN 371.A N ASN 367.A O no hydrogen 2.726 N/A ASN 371.A ND2 GLU 302.A O no hydrogen 3.235 N/A ASN 371.A ND2 ASN 367.A OD1 no hydrogen 2.541 N/A GLY 372.A N LEU 368.A O no hydrogen 3.032 N/A SER 373.A N ILE 384.A O no hydrogen 2.947 N/A SER 377.A N TYR 380.A O no hydrogen 2.984 N/A SER 377.A OG ALA 378.A O no hydrogen 3.431 N/A SER 377.A OG TYR 380.A O no hydrogen 3.322 N/A THR 382.A N GLY 375.A O no hydrogen 3.028 N/A THR 382.A OG1 ASN 534.A O no hydrogen 3.496 N/A THR 382.A OG1 VAL 536.A O no hydrogen 2.774 N/A ASP 383.A N ASN 534.A O no hydrogen 3.289 N/A ILE 384.A N SER 373.A O no hydrogen 3.001 N/A HIS 387.A N VAL 370.A O no hydrogen 3.199 N/A HIS 387.A ND1 LEU 369.A O no hydrogen 3.021 N/A ASN 388.A ND2 ASP 418.A OD2 no hydrogen 3.124 N/A ASN 388.A ND2 THR 682.A O no hydrogen 2.731 N/A ASN 388.A ND2 PRO 683.A O no hydrogen 3.417 N/A GLU 391.A N ASN 388.A OD1 no hydrogen 3.451 N/A VAL 392.A N ASN 388.A O no hydrogen 2.994 N/A ILE 393.A N LEU 389.A O no hydrogen 3.207 N/A ASP 394.A N ALA 390.A O no hydrogen 2.988 N/A ALA 395.A N GLU 391.A O no hydrogen 3.069 N/A ALA 396.A N VAL 392.A O no hydrogen 2.962 N/A VAL 397.A N ILE 393.A O no hydrogen 2.714 N/A TYR 398.A N ASP 394.A O no hydrogen 2.911 N/A MET 399.A N ALA 395.A O no hydrogen 2.771 N/A ILE 400.A N ALA 396.A O no hydrogen 2.900 N/A ASP 401.A N VAL 397.A O no hydrogen 3.350 N/A HIS 402.A N TYR 398.A O no hydrogen 2.800 N/A HIS 402.A N MET 399.A O no hydrogen 3.276 N/A ALA 405.A N HIS 402.A O no hydrogen 2.933 N/A LYS 409.A N LYS 406.A O no hydrogen 3.131 N/A LYS 409.A NZ GLU 412.A OE1 no hydrogen 2.847 N/A LEU 410.A N LYS 406.A O no hydrogen 3.112 N/A MET 411.A N ILE 407.A O no hydrogen 2.990 N/A GLU 412.A N LYS 409.A O no hydrogen 3.030 N/A PHE 413.A N LEU 410.A O no hydrogen 2.970 N/A LEU 414.A N LEU 410.A O no hydrogen 2.853 N/A ASP 418.A N PRO 386.A O no hydrogen 2.808 N/A GLY 422.A N PHE 419.A O no hydrogen 3.005 N/A ALA 423.A N GLU 464.A OE1 no hydrogen 2.438 N/A ILE 424.A N ARG 445.A O no hydrogen 2.840 N/A ILE 425.A N SER 687.A O no hydrogen 2.931 N/A GLN 426.A N VAL 443.A O no hydrogen 2.653 N/A GLN 426.A NE2 GLU 689.A OE1 no hydrogen 3.174 N/A GLY 427.A N GLU 689.A O no hydrogen 3.113 N/A ILE 431.A N GLY 427.A O no hydrogen 2.878 N/A LYS 432.A N ARG 428.A O no hydrogen 3.078 N/A LYS 433.A N ASP 429.A O no hydrogen 2.944 N/A ALA 434.A N GLU 430.A O no hydrogen 2.874 N/A TYR 435.A N ILE 431.A O no hydrogen 2.939 N/A TYR 435.A OH HIS 387.A NE2 no hydrogen 2.762 N/A GLU 436.A N LYS 433.A O no hydrogen 3.262 N/A THR 437.A N LYS 433.A O no hydrogen 2.907 N/A THR 437.A OG1 LYS 433.A O no hydrogen 2.957 N/A THR 437.A OG1 LYS 439.A O no hydrogen 3.542 N/A GLY 438.A N ALA 434.A O no hydrogen 2.659 N/A ARG 441.A N GLU 430.A OE1 no hydrogen 3.103 N/A VAL 442.A N TYR 531.A O no hydrogen 2.912 N/A VAL 443.A N GLN 426.A O no hydrogen 2.972 N/A VAL 444.A N ILE 529.A O no hydrogen 2.964 N/A ARG 445.A N ILE 424.A O no hydrogen 2.667 N/A ARG 445.A NE GLN 528.A OE1 no hydrogen 3.068 N/A ARG 445.A NH2 GLN 528.A OE1 no hydrogen 2.666 N/A SER 446.A N LEU 527.A O no hydrogen 3.180 N/A SER 446.A OG LEU 527.A O no hydrogen 2.753 N/A LYS 447.A N GLU 464.A O no hydrogen 2.986 N/A GLU 451.A N GLN 459.A O no hydrogen 2.852 N/A LEU 453.A N LYS 457.A O no hydrogen 2.912 N/A ILE 460.A N ILE 506.A O no hydrogen 3.004 N/A VAL 461.A N GLU 449.A O no hydrogen 2.859 N/A ILE 462.A N ILE 504.A O no hydrogen 2.859 N/A THR 463.A N LYS 447.A O no hydrogen 2.969 N/A THR 463.A OG1 LYS 447.A O no hydrogen 3.362 N/A TYR 467.A OH LYS 299.A O no hydrogen 2.962 N/A ASN 470.A ND2 ASP 315.A O no hydrogen 3.290 N/A LYS 471.A N MET 314.A O no hydrogen 3.018 N/A ASN 473.A N ASN 470.A OD1 no hydrogen 3.145 N/A LEU 474.A N ASN 470.A O no hydrogen 2.997 N/A VAL 475.A N LYS 471.A O no hydrogen 3.081 N/A LYS 476.A N ALA 472.A O no hydrogen 3.243 N/A LYS 477.A N ASN 473.A O no hydrogen 2.978 N/A ILE 478.A N LEU 474.A O no hydrogen 2.910 N/A ASP 479.A N VAL 475.A O no hydrogen 3.065 N/A ASP 480.A N LYS 476.A O no hydrogen 2.773 N/A VAL 481.A N LYS 477.A O no hydrogen 3.317 N/A ARG 482.A N ILE 478.A O no hydrogen 3.243 N/A ARG 482.A NE ASP 479.A OD1 no hydrogen 2.702 N/A ARG 482.A NH2 ASP 479.A OD1 no hydrogen 2.814 N/A ARG 482.A NH2 ASP 479.A OD2 no hydrogen 3.466 N/A VAL 483.A N ASP 479.A O no hydrogen 2.862 N/A ASN 484.A N ASP 480.A O no hydrogen 2.736 N/A ALA 491.A N GLU 507.A O no hydrogen 2.874 N/A GLU 492.A N GLU 507.A O no hydrogen 3.242 N/A ARG 494.A N ALA 505.A O no hydrogen 2.894 N/A ARG 494.A NE GLU 492.A OE1 no hydrogen 3.092 N/A ARG 494.A NH2 GLU 507.A OE2 no hydrogen 3.030 N/A GLU 496.A N ARG 503.A O no hydrogen 2.589 N/A SER 497.A N ASP 495.A OD2 no hydrogen 3.218 N/A SER 497.A OG ASP 495.A OD2 no hydrogen 2.521 N/A ASP 498.A N GLY 501.A O no hydrogen 2.928 N/A ASP 500.A N ASP 498.A OD1 no hydrogen 2.913 N/A ARG 503.A N SER 497.A OG no hydrogen 3.329 N/A ARG 503.A NH1 GLU 496.A OE1 no hydrogen 3.452 N/A ARG 503.A NH2 GLU 451.A OE1 no hydrogen 3.145 N/A ILE 504.A N ILE 462.A O no hydrogen 3.085 N/A ALA 505.A N ARG 494.A O no hydrogen 2.849 N/A ILE 506.A N ILE 460.A O no hydrogen 2.686 N/A LEU 508.A N GLU 458.A O no hydrogen 3.174 N/A LYS 509.A N GLY 489.A O no hydrogen 2.869 N/A THR 514.A OG1 GLU 458.A OE1 no hydrogen 3.473 N/A GLU 515.A N ASN 513.A OD1 no hydrogen 2.958 N/A LEU 516.A N ASN 513.A OD1 no hydrogen 3.138 N/A VAL 517.A N ASN 513.A O no hydrogen 3.367 N/A ASN 519.A N GLU 515.A O no hydrogen 3.032 N/A TYR 520.A N LEU 516.A O no hydrogen 3.079 N/A LEU 521.A N VAL 517.A O no hydrogen 3.004 N/A PHE 522.A N LEU 518.A O no hydrogen 3.222 N/A LYS 523.A N ASN 519.A O no hydrogen 3.257 N/A TYR 524.A N TYR 520.A O no hydrogen 2.850 N/A THR 525.A N LEU 521.A O no hydrogen 2.939 N/A THR 525.A OG1 LEU 521.A O no hydrogen 2.637 N/A LEU 527.A N THR 525.A OG1 no hydrogen 3.209 N/A ILE 529.A N VAL 444.A O no hydrogen 3.138 N/A TYR 531.A N VAL 442.A O no hydrogen 2.879 N/A PHE 533.A N GLY 440.A O no hydrogen 2.832 N/A ASN 534.A N ASP 383.A O no hydrogen 2.970 N/A MET 535.A N GLY 438.A O no hydrogen 2.965 N/A VAL 536.A N THR 382.A OG1 no hydrogen 3.128 N/A ALA 537.A N ARG 544.A O no hydrogen 3.168 N/A ILE 538.A N PRO 237.A O no hydrogen 2.768 N/A ASP 539.A N THR 542.A O no hydrogen 2.875 N/A THR 542.A N ASP 539.A O no hydrogen 2.918 N/A THR 542.A OG1 ASP 539.A O no hydrogen 3.360 N/A ARG 544.A N ALA 537.A O no hydrogen 2.814 N/A ARG 544.A NH2 ASP 539.A OD1 no hydrogen 3.018 N/A VAL 546.A N MET 535.A O no hydrogen 2.930 N/A ILE 548.A N TYR 435.A O no hydrogen 2.945 N/A ILE 551.A N GLY 547.A O no hydrogen 3.231 N/A LEU 552.A N ILE 548.A O no hydrogen 3.194 N/A SER 553.A N VAL 549.A O no hydrogen 2.808 N/A SER 553.A OG VAL 549.A O no hydrogen 3.143 N/A SER 553.A OG PRO 550.A O no hydrogen 2.910 N/A SER 554.A N PRO 550.A O no hydrogen 2.730 N/A SER 554.A OG PRO 550.A O no hydrogen 2.566 N/A TYR 555.A N ILE 551.A O no hydrogen 3.017 N/A TYR 555.A OH ALA 363.A O no hydrogen 3.062 N/A ILE 556.A N LEU 552.A O no hydrogen 2.938 N/A ALA 557.A N SER 553.A O no hydrogen 2.803 N/A HIS 558.A N SER 554.A O no hydrogen 3.084 N/A HIS 558.A NE2 LEU 361.A O no hydrogen 2.975 N/A ARG 559.A N TYR 555.A O no hydrogen 2.844 N/A ARG 559.A NH1 PRO 362.A O no hydrogen 3.183 N/A ARG 560.A N ILE 556.A O no hydrogen 2.874 N/A ARG 560.A NE GLU 662.A OE1 no hydrogen 2.348 N/A GLU 561.A N ALA 557.A O no hydrogen 3.007 N/A VAL 562.A N HIS 558.A O no hydrogen 2.857 N/A ILE 563.A N ARG 559.A O no hydrogen 2.788 N/A LEU 564.A N ARG 560.A O no hydrogen 2.845 N/A ALA 565.A N GLU 561.A O no hydrogen 2.763 N/A ARG 566.A N VAL 562.A O no hydrogen 2.595 N/A ARG 566.A NE ASP 339.A OD2 no hydrogen 2.984 N/A ARG 566.A NH2 GLU 672.A OE2 no hydrogen 2.714 N/A SER 567.A N ILE 563.A O no hydrogen 3.085 N/A SER 567.A OG ILE 563.A O no hydrogen 2.845 N/A ARG 568.A N LEU 564.A O no hydrogen 3.019 N/A PHE 569.A N ALA 565.A O no hydrogen 3.078 N/A ASP 570.A N ARG 566.A O no hydrogen 3.109 N/A LYS 571.A N SER 567.A O no hydrogen 2.887 N/A GLU 572.A N ARG 568.A O no hydrogen 2.792 N/A LYS 573.A N PHE 569.A O no hydrogen 3.030 N/A ALA 574.A N ASP 570.A O no hydrogen 2.970 N/A GLU 575.A N LYS 571.A O no hydrogen 2.817 N/A LYS 576.A N GLU 572.A O no hydrogen 3.055 N/A ARG 577.A N LYS 573.A O no hydrogen 3.125 N/A ARG 577.A NE GLU 644.A OE1 no hydrogen 2.629 N/A ARG 577.A NH2 GLU 644.A OE1 no hydrogen 3.153 N/A ARG 577.A NH2 GLU 644.A OE2 no hydrogen 3.003 N/A LEU 578.A N ALA 574.A O no hydrogen 2.801 N/A HIS 579.A N GLU 575.A O no hydrogen 2.733 N/A HIS 579.A NE2 THR 618.A OG1 no hydrogen 2.854 N/A ILE 580.A N LYS 576.A O no hydrogen 3.123 N/A VAL 581.A N ARG 577.A O no hydrogen 2.763 N/A GLU 582.A N LEU 578.A O no hydrogen 3.021 N/A GLY 583.A N HIS 579.A O no hydrogen 3.448 N/A LEU 584.A N ILE 580.A O no hydrogen 3.106 N/A ILE 585.A N VAL 581.A O no hydrogen 3.202 N/A ARG 586.A N GLU 582.A O no hydrogen 3.107 N/A ARG 586.A NH1 TYR 615.A O no hydrogen 2.810 N/A ARG 586.A NH2 TYR 615.A O no hydrogen 2.442 N/A VAL 587.A N GLY 583.A O no hydrogen 2.702 N/A ILE 588.A N LEU 584.A O no hydrogen 3.119 N/A SER 589.A N ARG 586.A O no hydrogen 2.559 N/A ILE 590.A N VAL 587.A O no hydrogen 2.709 N/A VAL 594.A N ILE 590.A O no hydrogen 3.053 N/A ILE 595.A N LEU 591.A O no hydrogen 2.990 N/A ALA 596.A N ASP 592.A O no hydrogen 2.961 N/A LEU 597.A N GLU 593.A O no hydrogen 2.938 N/A ILE 598.A N VAL 594.A O no hydrogen 3.057 N/A ARG 599.A N ILE 595.A O no hydrogen 2.802 N/A ALA 600.A N ALA 596.A O no hydrogen 2.915 N/A SER 601.A N ILE 598.A O no hydrogen 2.960 N/A GLU 602.A N ASP 606.A OD1 no hydrogen 2.969 N/A LYS 604.A NZ GLU 623.A OE2 no hydrogen 2.894 N/A ASP 606.A N ASN 603.A OD1 no hydrogen 2.837 N/A ALA 607.A N ASN 603.A O no hydrogen 2.876 N/A LYS 608.A N LYS 604.A O no hydrogen 3.043 N/A LYS 608.A NZ GLU 619.A OE1 no hydrogen 2.912 N/A LYS 608.A NZ GLU 623.A OE1 no hydrogen 2.464 N/A GLU 609.A N ALA 605.A O no hydrogen 2.964 N/A ASN 610.A N ASP 606.A O no hydrogen 2.910 N/A LEU 611.A N ALA 607.A O no hydrogen 3.012 N/A LYS 612.A N LYS 608.A O no hydrogen 2.945 N/A LYS 612.A NZ GLU 619.A OE2 no hydrogen 3.011 N/A VAL 613.A N GLU 609.A O no hydrogen 3.061 N/A SER 614.A N ASN 610.A O no hydrogen 2.906 N/A TYR 615.A N LEU 611.A O no hydrogen 3.016 N/A ASP 616.A N LYS 612.A O no hydrogen 2.768 N/A THR 618.A N GLN 621.A OE1 no hydrogen 3.179 N/A THR 618.A OG1 HIS 579.A NE2 no hydrogen 2.854 N/A GLN 621.A N THR 618.A OG1 no hydrogen 3.309 N/A GLN 621.A NE2 HIS 579.A O no hydrogen 2.775 N/A ALA 622.A N THR 618.A O no hydrogen 2.845 N/A GLU 623.A N GLU 619.A O no hydrogen 2.908 N/A ALA 624.A N GLU 620.A O no hydrogen 3.226 N/A ILE 625.A N GLN 621.A O no hydrogen 2.802 N/A VAL 626.A N ALA 622.A O no hydrogen 2.890 N/A THR 627.A N GLU 623.A O no hydrogen 3.215 N/A THR 627.A OG1 GLU 623.A O no hydrogen 2.781 N/A THR 627.A OG1 ALA 624.A O no hydrogen 3.420 N/A LEU 628.A N ILE 625.A O no hydrogen 3.336 N/A ARG 632.A N GLN 629.A O no hydrogen 2.818 N/A LEU 633.A N LEU 630.A O no hydrogen 2.810 N/A THR 634.A N TYR 631.A O no hydrogen 2.995 N/A THR 634.A OG1 TYR 631.A O no hydrogen 2.445 N/A ASN 635.A N ARG 632.A O no hydrogen 2.700 N/A ASN 635.A ND2 ASP 637.A O no hydrogen 3.546 N/A ASP 637.A N ASN 635.A OD1 no hydrogen 2.771 N/A VAL 639.A N ASP 637.A OD2 no hydrogen 3.014 N/A GLN 642.A N VAL 638.A O no hydrogen 2.912 N/A GLU 643.A N VAL 639.A O no hydrogen 2.890 N/A GLU 644.A N VAL 640.A O no hydrogen 3.130 N/A GLU 645.A N LEU 641.A O no hydrogen 2.797 N/A ALA 646.A N GLN 642.A O no hydrogen 2.808 N/A GLU 647.A N GLU 643.A O no hydrogen 3.024 N/A LEU 648.A N GLU 644.A O no hydrogen 2.981 N/A ARG 649.A N GLU 645.A O no hydrogen 3.188 N/A ARG 649.A NH2 GLU 645.A OE1 no hydrogen 3.216 N/A GLU 650.A N ALA 646.A O no hydrogen 3.091 N/A LYS 651.A N GLU 647.A O no hydrogen 3.107 N/A ILE 652.A N LEU 648.A O no hydrogen 2.962 N/A ALA 653.A N ARG 649.A O no hydrogen 3.007 N/A MET 654.A N GLU 650.A O no hydrogen 3.004 N/A LEU 655.A N LYS 651.A O no hydrogen 3.161 N/A ALA 656.A N ILE 652.A O no hydrogen 2.887 N/A ALA 657.A N ALA 653.A O no hydrogen 3.023 N/A ILE 658.A N MET 654.A O no hydrogen 3.215 N/A ILE 659.A N ALA 656.A O no hydrogen 2.833 N/A GLY 660.A N ALA 656.A O no hydrogen 2.872 N/A GLY 660.A N ALA 657.A O no hydrogen 3.224 N/A ASP 661.A N ALA 657.A O no hydrogen 2.809 N/A THR 664.A N ASP 661.A OD2 no hydrogen 2.894 N/A THR 664.A OG1 ASP 661.A OD2 no hydrogen 2.927 N/A MET 665.A N ASP 661.A O no hydrogen 3.022 N/A TYR 666.A N GLU 662.A O no hydrogen 3.025 N/A ASN 667.A N ARG 663.A O no hydrogen 2.740 N/A LEU 668.A N THR 664.A O no hydrogen 3.102 N/A MET 669.A N MET 665.A O no hydrogen 2.951 N/A LYS 670.A N TYR 666.A O no hydrogen 2.852 N/A LYS 670.A NZ ASP 401.A OD1 no hydrogen 3.193 N/A LYS 670.A NZ ASN 667.A OD1 no hydrogen 3.029 N/A LYS 671.A N ASN 667.A O no hydrogen 2.791 N/A GLU 672.A N LEU 668.A O no hydrogen 3.003 N/A LEU 673.A N MET 669.A O no hydrogen 3.143 N/A ARG 674.A N LYS 670.A O no hydrogen 2.992 N/A GLU 675.A N LYS 671.A O no hydrogen 3.239 N/A VAL 676.A N GLU 672.A O no hydrogen 3.004 N/A LYS 677.A N LEU 673.A O no hydrogen 3.103 N/A LYS 677.A NZ ASP 394.A OD1 no hydrogen 2.475 N/A LYS 677.A NZ ASP 394.A OD2 no hydrogen 3.297 N/A LYS 678.A N ARG 674.A O no hydrogen 2.877 N/A LYS 679.A N GLU 675.A O no hydrogen 3.031 N/A LYS 679.A N VAL 676.A O no hydrogen 3.089 N/A LYS 679.A NZ GLU 331.A OE2 no hydrogen 2.930 N/A LYS 679.A NZ TYR 335.A OH no hydrogen 3.067 N/A PHE 680.A N VAL 676.A O no hydrogen 2.956 N/A ALA 681.A N LYS 677.A O no hydrogen 2.893 N/A ARG 684.A NE SER 686.A O no hydrogen 3.045 N/A ARG 684.A NH1 GLU 391.A OE2 no hydrogen 2.884 N/A ARG 684.A NH1 GLY 416.A O no hydrogen 3.476 N/A ARG 684.A NH2 PRO 417.A O no hydrogen 2.383 N/A LEU 685.A N ASP 418.A OD1 no hydrogen 2.952 N/A SER 686.A N ASP 418.A OD1 no hydrogen 3.085 N/A SER 686.A OG PHE 419.A O no hydrogen 3.390 N/A SER 686.A OG GLY 422.A O no hydrogen 2.852 N/A SER 687.A N ALA 423.A O no hydrogen 2.929 N/A GLU 689.A N ILE 425.A O no hydrogen 2.999 N/A