Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iwq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLU 78.A OE2 no hydrogen 3.152 N/A SER 5.A OG THR 79.A OG1 no hydrogen 3.287 N/A THR 6.A N HIS 9.A O no hydrogen 2.509 N/A THR 6.A OG1 HIS 9.A O no hydrogen 3.334 N/A ASN 8.A ND2 GLU 76.A OE2 no hydrogen 3.103 N/A HIS 9.A ND1 GLU 76.A OE1 no hydrogen 2.956 N/A LEU 10.A N ARG 29.A O no hydrogen 3.270 N/A TRP 11.A N GLN 4.A O no hydrogen 3.055 N/A LEU 13.A N MET 2.A O no hydrogen 3.329 N/A ASP 15.A N LEU 12.A O no hydrogen 3.341 N/A LEU 17.A N VAL 25.A O no hydrogen 2.579 N/A GLY 18.A N VAL 25.A O no hydrogen 3.157 N/A GLY 20.A N ALA 23.A O no hydrogen 3.076 N/A ASN 24.A N VAL 41.A O no hydrogen 2.994 N/A ASN 24.A ND2 GLN 19.A OE1 no hydrogen 2.803 N/A VAL 25.A N GLY 18.A O no hydrogen 2.774 N/A PHE 26.A N ILE 39.A O no hydrogen 2.728 N/A ARG 27.A N ASP 15.A O no hydrogen 2.782 N/A GLY 28.A N PHE 37.A O no hydrogen 3.067 N/A ARG 29.A N LEU 10.A O no hydrogen 3.119 N/A ARG 29.A NE GLY 34.A O no hydrogen 3.086 N/A ARG 29.A NH2 GLY 34.A O no hydrogen 3.222 N/A HIS 30.A N ASP 35.A O no hydrogen 3.128 N/A LYS 31.A N ASN 8.A O no hydrogen 2.733 N/A LYS 32.A N HIS 30.A ND1 no hydrogen 3.085 N/A LYS 32.A NZ ASN 8.A OD1 no hydrogen 3.332 N/A THR 33.A N HIS 30.A ND1 no hydrogen 3.235 N/A ASP 35.A N THR 33.A OG1 no hydrogen 3.294 N/A PHE 37.A N GLY 28.A O no hydrogen 2.683 N/A ALA 38.A N MET 88.A O no hydrogen 2.763 N/A ILE 39.A N PHE 26.A O no hydrogen 2.801 N/A LYS 40.A N LEU 86.A O no hydrogen 2.943 N/A VAL 41.A N ASN 24.A O no hydrogen 2.935 N/A ASN 43.A N THR 22.A O no hydrogen 2.756 N/A GLN 54.A NE2 GLU 165.A OE1 no hydrogen 3.058 N/A GLU 57.A N VAL 53.A O no hydrogen 3.372 N/A PHE 58.A N MET 55.A O no hydrogen 3.073 N/A GLU 59.A N MET 55.A O no hydrogen 3.050 N/A GLU 59.A N ARG 56.A O no hydrogen 3.175 N/A VAL 60.A N ARG 56.A O no hydrogen 3.118 N/A LYS 62.A NZ PHE 73.A O no hydrogen 2.618 N/A VAL 70.A N LEU 157.A O no hydrogen 2.809 N/A LYS 71.A N GLU 89.A OE2 no hydrogen 3.254 N/A PHE 73.A N ILE 87.A O no hydrogen 2.834 N/A GLU 76.A N VAL 85.A O no hydrogen 2.925 N/A GLU 78.A N HIS 83.A O no hydrogen 3.016 N/A THR 79.A N SER 5.A O no hydrogen 3.393 N/A THR 79.A OG1 SER 5.A O no hydrogen 3.538 N/A THR 79.A OG1 SER 5.A OG no hydrogen 3.287 N/A THR 79.A OG1 GLU 78.A OE1 no hydrogen 3.267 N/A THR 79.A OG1 GLU 78.A OE2 no hydrogen 3.509 N/A THR 80.A N GLU 78.A OE1 no hydrogen 2.418 N/A THR 80.A OG1 GLU 78.A OE1 no hydrogen 2.864 N/A THR 81.A N GLU 78.A OE1 no hydrogen 3.150 N/A ARG 82.A NE GLU 77.A OE1 no hydrogen 3.110 N/A LYS 84.A NZ GLU 77.A OE1 no hydrogen 2.978 N/A VAL 85.A N GLU 76.A O no hydrogen 2.679 N/A LEU 86.A N LYS 40.A O no hydrogen 2.921 N/A ILE 87.A N ALA 74.A O no hydrogen 2.935 N/A MET 88.A N ALA 38.A O no hydrogen 2.649 N/A GLU 89.A N LYS 71.A O no hydrogen 3.044 N/A CYS 91.A SG GLU 89.A O no hydrogen 3.960 N/A GLY 94.A N CYS 91.A O no hydrogen 3.163 N/A SER 95.A N THR 98.A OG1 no hydrogen 3.296 N/A SER 95.A OG PRO 140.A O no hydrogen 3.529 N/A LEU 96.A N ILE 143.A O no hydrogen 2.768 N/A TYR 97.A N PRO 140.A O no hydrogen 3.053 N/A VAL 99.A N SER 95.A O no hydrogen 3.291 N/A LEU 100.A N LEU 96.A O no hydrogen 3.013 N/A GLU 101.A N TYR 97.A O no hydrogen 2.951 N/A GLU 101.A N THR 98.A O no hydrogen 3.194 N/A GLU 102.A N VAL 99.A O no hydrogen 3.228 N/A ASN 105.A N GLU 102.A O no hydrogen 3.082 N/A ASN 105.A ND2 VAL 99.A O no hydrogen 2.887 N/A ALA 106.A N PRO 103.A O no hydrogen 3.180 N/A GLY 108.A N ASN 105.A O no hydrogen 3.371 N/A LEU 109.A N ALA 194.A O no hydrogen 2.767 N/A PHE 114.A N PRO 110.A O no hydrogen 2.879 N/A LEU 115.A N GLU 111.A O no hydrogen 3.117 N/A ILE 116.A N SER 112.A O no hydrogen 3.357 N/A VAL 117.A N GLU 113.A O no hydrogen 3.122 N/A LEU 118.A N PHE 114.A O no hydrogen 2.913 N/A ARG 119.A N LEU 115.A O no hydrogen 2.991 N/A ASP 120.A N ILE 116.A O no hydrogen 2.954 N/A VAL 121.A N VAL 117.A O no hydrogen 3.008 N/A VAL 122.A N LEU 118.A O no hydrogen 3.135 N/A GLY 123.A N ARG 119.A O no hydrogen 3.150 N/A GLY 124.A N ASP 120.A O no hydrogen 2.850 N/A MET 125.A N VAL 121.A O no hydrogen 3.029 N/A ASN 126.A N VAL 122.A O no hydrogen 3.040 N/A HIS 127.A N GLY 123.A O no hydrogen 3.331 N/A LEU 128.A N GLY 124.A O no hydrogen 3.156 N/A ARG 129.A N MET 125.A O no hydrogen 2.904 N/A ARG 129.A N ASN 126.A O no hydrogen 3.213 N/A ARG 129.A NH1 ASN 126.A OD1 no hydrogen 2.504 N/A GLU 130.A N ASN 126.A O no hydrogen 3.137 N/A GLY 132.A N ARG 129.A O no hydrogen 3.071 N/A ARG 136.A N ASP 183.A OD1 no hydrogen 2.821 N/A ASP 137.A N HIS 135.A O no hydrogen 2.557 N/A ASN 142.A N LYS 139.A O no hydrogen 2.593 N/A ASN 142.A ND2 ASP 159.A O no hydrogen 3.539 N/A ILE 143.A N PRO 140.A O no hydrogen 3.473 N/A MET 144.A N LYS 156.A O no hydrogen 2.733 N/A ARG 145.A N GLY 94.A O no hydrogen 2.779 N/A ARG 145.A NE SER 153.A OG no hydrogen 2.993 N/A ARG 145.A NH2 SER 153.A OG no hydrogen 3.372 N/A VAL 146.A N VAL 154.A O no hydrogen 2.898 N/A GLY 148.A N GLN 152.A O no hydrogen 2.926 N/A GLY 151.A N GLY 148.A O no hydrogen 3.141 N/A GLN 152.A N ASP 150.A OD1 no hydrogen 3.377 N/A GLN 152.A NE2 ASP 150.A OD2 no hydrogen 2.753 N/A SER 153.A OG GLU 113.A OE1 no hydrogen 3.053 N/A VAL 154.A N VAL 146.A O no hydrogen 2.689 N/A TYR 155.A N ASP 120.A OD2 no hydrogen 2.862 N/A TYR 155.A OH GLU 113.A OE1 no hydrogen 2.684 N/A LYS 156.A N MET 144.A O no hydrogen 2.872 N/A LYS 156.A NZ LYS 67.A O no hydrogen 2.327 N/A LEU 157.A N ASN 68.A O no hydrogen 2.991 N/A PHE 160.A N THR 158.A O no hydrogen 2.889 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.679 N/A TYR 171.A N THR 168.A O no hydrogen 2.724 N/A TYR 171.A OH HIS 193.A ND1 no hydrogen 3.191 N/A ASP 175.A N HIS 173.A ND1 no hydrogen 3.110 N/A TYR 177.A N HIS 173.A O no hydrogen 2.414 N/A ASP 183.A N ALA 180.A O no hydrogen 3.302 N/A LEU 184.A N ALA 180.A O no hydrogen 3.345 N/A SER 186.A OG ARG 136.A O no hydrogen 2.983 N/A SER 186.A OG ASP 183.A O no hydrogen 3.366 N/A VAL 189.A N TRP 185.A O no hydrogen 3.249 N/A THR 190.A N SER 186.A O no hydrogen 2.958 N/A THR 190.A OG1 ILE 138.A O no hydrogen 3.369 N/A THR 190.A OG1 SER 186.A O no hydrogen 2.605 N/A PHE 191.A N ILE 187.A O no hydrogen 2.728 N/A TYR 192.A N GLY 188.A O no hydrogen 2.768 N/A TYR 192.A OH SER 227.A OG no hydrogen 2.873 N/A HIS 193.A N VAL 189.A O no hydrogen 3.085 N/A HIS 193.A ND1 TYR 171.A OH no hydrogen 3.191 N/A ALA 194.A N THR 190.A O no hydrogen 2.949 N/A ALA 195.A N PHE 191.A O no hydrogen 3.194 N/A ALA 195.A N TYR 192.A O no hydrogen 3.162 N/A THR 196.A N TYR 192.A O no hydrogen 2.794 N/A THR 196.A OG1 TYR 192.A O no hydrogen 2.913 N/A GLY 197.A N HIS 193.A O no hydrogen 2.726 N/A ARG 202.A N GLY 228.A O no hydrogen 2.992 N/A ARG 202.A NH1 LEU 199.A O no hydrogen 2.999 N/A ARG 208.A N GLY 206.A O no hydrogen 2.924 N/A LYS 211.A N ARG 208.A O no hydrogen 3.416 N/A VAL 213.A N ASN 210.A O no hydrogen 3.218 N/A TYR 215.A N LYS 211.A O no hydrogen 3.237 N/A ILE 217.A N VAL 213.A O no hydrogen 3.157 N/A ILE 218.A N MET 214.A O no hydrogen 3.250 N/A THR 219.A N TYR 215.A O no hydrogen 3.074 N/A THR 219.A OG1 TYR 215.A O no hydrogen 2.695 N/A THR 219.A OG1 LYS 216.A O no hydrogen 3.247 N/A GLY 220.A N ILE 217.A O no hydrogen 3.255 N/A LYS 221.A N ILE 218.A O no hydrogen 3.337 N/A LYS 221.A NZ ASP 268.A OD1 no hydrogen 3.539 N/A ILE 226.A N SER 240.A O no hydrogen 2.907 N/A SER 227.A OG TYR 192.A OH no hydrogen 2.873 N/A GLY 228.A N PRO 200.A O no hydrogen 2.922 N/A VAL 229.A N ASP 238.A O no hydrogen 3.297 N/A GLN 230.A N ARG 202.A O no hydrogen 3.367 N/A ASP 238.A N VAL 229.A O no hydrogen 2.881 N/A SER 240.A N SER 227.A O no hydrogen 3.312 N/A SER 240.A OG ASP 242.A O no hydrogen 3.170 N/A ASP 242.A N SER 240.A OG no hydrogen 3.314 N/A MET 243.A N ASP 242.A OD1 no hydrogen 2.463 N/A CYS 247.A N PRO 244.A O no hydrogen 3.311 N/A CYS 247.A SG ALA 195.A O no hydrogen 3.383 N/A SER 250.A OG GLU 111.A OE1 no hydrogen 2.358 N/A SER 250.A OG GLU 111.A OE2 no hydrogen 3.301 N/A LEU 253.A N SER 250.A O no hydrogen 3.297 N/A GLN 254.A N SER 250.A O no hydrogen 3.281 N/A GLN 254.A NE2 LEU 249.A O no hydrogen 3.027 N/A VAL 255.A N ARG 251.A O no hydrogen 3.455 N/A LEU 256.A N LEU 253.A O no hydrogen 3.006 N/A LEU 257.A N LEU 253.A O no hydrogen 2.826 N/A THR 258.A N GLN 254.A O no hydrogen 2.985 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.860 N/A VAL 260.A N LEU 257.A O no hydrogen 3.122 N/A LEU 261.A N LEU 257.A O no hydrogen 3.248 N/A ALA 262.A N THR 258.A O no hydrogen 3.038 N/A ASN 263.A N PRO 259.A O no hydrogen 3.229 N/A ASN 263.A ND2 PRO 259.A O no hydrogen 2.371 N/A ILE 264.A N LEU 261.A O no hydrogen 3.107 N/A CYS 272.A N ASP 268.A O no hydrogen 3.284 N/A CYS 272.A SG ASN 263.A O no hydrogen 3.619 N/A CYS 272.A SG TRP 273.A O no hydrogen 3.438 N/A TRP 273.A N ASN 263.A O no hydrogen 3.053 N/A PHE 278.A N GLY 274.A O no hydrogen 2.811 N/A PHE 279.A N PHE 275.A O no hydrogen 2.969 N/A ALA 280.A N ASP 276.A O no hydrogen 3.013 N/A GLU 281.A N GLN 277.A O no hydrogen 3.248 N/A THR 282.A N PHE 278.A O no hydrogen 3.121 N/A THR 282.A OG1 PHE 278.A O no hydrogen 2.722 N/A THR 282.A OG1 PHE 279.A O no hydrogen 2.906 N/A SER 283.A N PHE 279.A O no hydrogen 2.894 N/A SER 283.A OG HIS 287.A NE2 no hydrogen 2.733 N/A ASP 284.A N ALA 280.A O no hydrogen 3.060 N/A ILE 285.A N GLU 281.A O no hydrogen 3.386 N/A LEU 286.A N THR 282.A O no hydrogen 3.184 N/A HIS 287.A N SER 283.A O no hydrogen 3.164 N/A ARG 288.A N ILE 285.A O no hydrogen 3.343 N/A ARG 288.A NE ASP 284.A OD2 no hydrogen 2.989 N/A ARG 288.A NH1 TYR 305.A O no hydrogen 3.272 N/A ARG 288.A NH2 ASP 284.A OD2 no hydrogen 3.240 N/A MET 289.A N ILE 306.A O no hydrogen 2.627 N/A ILE 291.A N ILE 304.A O no hydrogen 3.142 N/A VAL 293.A N HIS 302.A O no hydrogen 3.019 N/A PHE 294.A N ILE 359.A O no hydrogen 3.324 N/A SER 295.A N THR 300.A O no hydrogen 2.886 N/A LEU 296.A N VAL 361.A O no hydrogen 3.296 N/A THR 300.A N SER 295.A O no hydrogen 3.282 N/A THR 300.A OG1 HIS 302.A NE2 no hydrogen 2.527 N/A ALA 301.A N TYR 415.A OH no hydrogen 3.178 N/A HIS 302.A N VAL 293.A O no hydrogen 2.706 N/A HIS 302.A NE2 THR 300.A OG1 no hydrogen 2.527 N/A ILE 304.A N ILE 291.A O no hydrogen 3.104 N/A TYR 305.A OH GLU 111.A OE1 no hydrogen 2.268 N/A ILE 306.A N MET 289.A O no hydrogen 3.093 N/A HIS 307.A N ASN 310.A OD1 no hydrogen 3.116 N/A HIS 307.A NE2 ASP 284.A OD1 no hydrogen 3.069 N/A ASN 310.A N HIS 307.A O no hydrogen 3.284 N/A THR 313.A OG1 PRO 343.A O no hydrogen 2.679 N/A PHE 315.A N THR 311.A O no hydrogen 3.380 N/A HIS 316.A N ALA 312.A O no hydrogen 2.941 N/A HIS 316.A ND1 GLN 330.A OE1 no hydrogen 2.641 N/A GLU 317.A N THR 313.A O no hydrogen 3.157 N/A LEU 318.A N ILE 314.A O no hydrogen 2.858 N/A VAL 319.A N PHE 315.A O no hydrogen 2.973 N/A TYR 320.A N HIS 316.A O no hydrogen 3.070 N/A LYS 321.A N GLU 317.A O no hydrogen 3.078 N/A GLN 322.A N VAL 319.A O no hydrogen 3.207 N/A THR 323.A N VAL 319.A O no hydrogen 2.829 N/A THR 323.A OG1 VAL 319.A O no hydrogen 2.400 N/A LYS 324.A N TYR 320.A O no hydrogen 2.707 N/A ASN 329.A N ILE 326.A O no hydrogen 2.786 N/A GLN 330.A NE2 HIS 316.A O no hydrogen 2.902 N/A GLN 330.A NE2 ILE 325.A O no hydrogen 2.690 N/A GLU 331.A N VAL 362.A O no hydrogen 3.054 N/A ILE 333.A N PHE 360.A O no hydrogen 3.079 N/A TYR 334.A N ARG 337.A O no hydrogen 2.765 N/A TYR 334.A OH LYS 352.A O no hydrogen 2.577 N/A ARG 337.A N TYR 334.A O no hydrogen 3.039 N/A ARG 338.A NE GLU 331.A OE2 no hydrogen 2.977 N/A ARG 338.A NH1 ASP 433.A OD1 no hydrogen 2.685 N/A LEU 339.A N LEU 332.A O no hydrogen 2.970 N/A ARG 345.A N GLU 342.A O no hydrogen 3.026 N/A ALA 347.A N SER 308.A O no hydrogen 3.153 N/A PHE 350.A N ALA 347.A O no hydrogen 3.433 N/A THR 353.A OG1 VAL 290.A O no hydrogen 3.464 N/A THR 354.A N ASN 357.A O no hydrogen 2.874 N/A ASN 357.A N THR 354.A O no hydrogen 3.093 N/A ASN 357.A ND2 GLU 335.A OE1 no hydrogen 3.434 N/A ASN 357.A ND2 LYS 352.A O no hydrogen 3.672 N/A ILE 359.A N HIS 292.A O no hydrogen 2.806 N/A PHE 360.A N ILE 333.A O no hydrogen 2.999 N/A VAL 361.A N PHE 294.A O no hydrogen 3.200 N/A VAL 362.A N GLU 331.A O no hydrogen 2.940 N/A GLU 365.A N SER 363.A OG no hydrogen 3.253 N/A THR 369.A OG1 GLN 297.A O no hydrogen 3.178 N/A ILE 370.A N GLN 298.A O no hydrogen 3.080 N/A GLY 371.A N GLN 298.A O no hydrogen 2.835 N/A LEU 372.A N TYR 578.A OH no hydrogen 2.918 N/A GLU 375.A N TYR 404.A OH no hydrogen 3.101 N/A GLY 390.A N ASP 387.A OD2 no hydrogen 3.034 N/A ASP 391.A N ASP 387.A O no hydrogen 2.633 N/A ALA 392.A N LEU 388.A O no hydrogen 3.044 N/A SER 393.A N ASP 389.A O no hydrogen 3.080 N/A SER 393.A OG ASP 389.A O no hydrogen 2.990 N/A MET 394.A N GLY 390.A O no hydrogen 3.010 N/A ALA 395.A N ASP 391.A O no hydrogen 3.308 N/A LYS 396.A N ALA 392.A O no hydrogen 3.263 N/A LYS 396.A NZ LEU 100.A O no hydrogen 3.565 N/A LYS 396.A NZ GLU 101.A OE1 no hydrogen 2.650 N/A ALA 397.A N SER 393.A O no hydrogen 3.184 N/A ILE 398.A N MET 394.A O no hydrogen 2.872 N/A THR 399.A N ALA 395.A O no hydrogen 3.238 N/A THR 399.A OG1 ALA 395.A O no hydrogen 2.518 N/A GLY 400.A N LYS 396.A O no hydrogen 3.107 N/A VAL 401.A N ALA 397.A O no hydrogen 3.142 N/A CYS 403.A N THR 399.A O no hydrogen 2.927 N/A CYS 403.A SG THR 399.A O no hydrogen 3.287 N/A TYR 404.A N GLY 400.A O no hydrogen 3.008 N/A ALA 405.A N VAL 401.A O no hydrogen 2.950 N/A CYS 406.A N VAL 402.A O no hydrogen 2.833 N/A CYS 406.A SG VAL 518.A O no hydrogen 3.988 N/A CYS 406.A SG GLN 522.A OE1 no hydrogen 3.990 N/A ARG 407.A N CYS 403.A O no hydrogen 2.797 N/A ILE 408.A N TYR 404.A O no hydrogen 2.889 N/A ALA 409.A N ALA 405.A O no hydrogen 2.962 N/A SER 410.A N CYS 406.A O no hydrogen 3.250 N/A SER 410.A OG CYS 406.A O no hydrogen 3.439 N/A SER 410.A OG ARG 407.A O no hydrogen 2.908 N/A THR 411.A N ARG 407.A O no hydrogen 3.371 N/A THR 411.A OG1 ARG 407.A O no hydrogen 2.874 N/A LEU 412.A N ILE 408.A O no hydrogen 2.745 N/A LEU 413.A N ALA 409.A O no hydrogen 3.115 N/A LEU 414.A N SER 410.A O no hydrogen 2.996 N/A TYR 415.A N THR 411.A O no hydrogen 2.888 N/A GLN 416.A N LEU 412.A O no hydrogen 3.344 N/A GLU 417.A N LEU 413.A O no hydrogen 3.020 N/A LEU 418.A N LEU 414.A O no hydrogen 2.865 N/A MET 419.A N TYR 415.A O no hydrogen 2.882 N/A ARG 420.A N GLN 416.A O no hydrogen 2.958 N/A ARG 420.A NE ALA 506.A O no hydrogen 2.655 N/A ARG 420.A NH2 GLN 416.A OE1 no hydrogen 3.539 N/A ARG 420.A NH2 ALA 506.A O no hydrogen 3.377 N/A ARG 420.A NH2 THR 511.A O no hydrogen 3.093 N/A LYS 421.A NZ ASN 357.A OD1 no hydrogen 3.511 N/A GLY 422.A N LEU 418.A O no hydrogen 3.076 N/A ILE 423.A N MET 419.A O no hydrogen 3.011 N/A ARG 424.A N ARG 420.A O no hydrogen 3.203 N/A TRP 425.A N LYS 421.A O no hydrogen 2.879 N/A LEU 426.A N GLY 422.A O no hydrogen 2.953 N/A ILE 427.A N ILE 423.A O no hydrogen 3.050 N/A LEU 429.A N TRP 425.A O no hydrogen 2.816 N/A ILE 430.A N LEU 426.A O no hydrogen 2.732 N/A LYS 431.A N ILE 427.A O no hydrogen 3.362 N/A ASP 432.A N GLU 428.A O no hydrogen 3.320 N/A ASP 433.A N LEU 429.A O no hydrogen 3.281 N/A TYR 434.A N LYS 431.A O no hydrogen 3.118 N/A ASN 435.A N LYS 431.A O no hydrogen 2.841 N/A GLU 436.A N ASP 432.A O no hydrogen 3.385 N/A THR 437.A OG1 ASP 433.A O no hydrogen 2.869 N/A THR 437.A OG1 THR 603.A OG1 no hydrogen 3.104 N/A VAL 438.A N TYR 434.A O no hydrogen 3.230 N/A HIS 439.A N ASN 435.A O no hydrogen 3.317 N/A LYS 440.A N GLU 436.A O no hydrogen 2.815 N/A LYS 440.A NZ GLU 443.A OE1 no hydrogen 3.409 N/A LYS 441.A N VAL 438.A O no hydrogen 2.973 N/A LYS 441.A NZ GLU 485.A OE1 no hydrogen 2.481 N/A THR 442.A N VAL 438.A O no hydrogen 2.901 N/A THR 442.A OG1 VAL 438.A O no hydrogen 3.428 N/A THR 442.A OG1 HIS 439.A O no hydrogen 3.320 N/A VAL 444.A N LYS 441.A O no hydrogen 2.895 N/A VAL 445.A N LYS 441.A O no hydrogen 2.775 N/A ILE 446.A N THR 442.A O no hydrogen 2.930 N/A THR 447.A N GLU 443.A O no hydrogen 3.297 N/A THR 447.A OG1 GLU 443.A O no hydrogen 2.408 N/A LEU 448.A N VAL 444.A O no hydrogen 3.079 N/A ASP 449.A N VAL 445.A O no hydrogen 3.087 N/A PHE 450.A N ILE 446.A O no hydrogen 3.101 N/A CYS 451.A N LEU 448.A O no hydrogen 2.994 N/A ILE 452.A N LEU 448.A O no hydrogen 2.549 N/A ARG 453.A N ASP 449.A O no hydrogen 3.384 N/A ILE 455.A N ILE 452.A O no hydrogen 3.144 N/A GLU 456.A N ILE 452.A O no hydrogen 2.804 N/A THR 458.A OG1 ASN 454.A O no hydrogen 2.674 N/A LYS 460.A N LYS 457.A O no hydrogen 3.270 N/A ILE 467.A N GLU 463.A O no hydrogen 3.091 N/A SER 468.A N LEU 464.A O no hydrogen 3.053 N/A SER 468.A OG LEU 464.A O no hydrogen 3.205 N/A SER 468.A OG GLY 465.A O no hydrogen 2.830 N/A ASP 469.A N GLY 465.A O no hydrogen 3.121 N/A ILE 470.A N GLU 466.A O no hydrogen 3.234 N/A HIS 471.A N ILE 467.A O no hydrogen 3.119 N/A THR 472.A N SER 468.A O no hydrogen 3.026 N/A THR 472.A OG1 SER 468.A O no hydrogen 3.152 N/A THR 472.A OG1 ASP 469.A O no hydrogen 2.551 N/A LYS 473.A N ASP 469.A O no hydrogen 2.939 N/A LYS 473.A NZ TYR 616.A OH no hydrogen 3.559 N/A LEU 474.A N ILE 470.A O no hydrogen 2.782 N/A LEU 475.A N HIS 471.A O no hydrogen 3.121 N/A ARG 476.A N THR 472.A O no hydrogen 3.049 N/A LEU 477.A N LEU 474.A O no hydrogen 3.310 N/A SER 478.A N LEU 474.A O no hydrogen 2.926 N/A SER 478.A OG LEU 474.A O no hydrogen 3.133 N/A SER 478.A OG LEU 475.A O no hydrogen 3.406 N/A SER 479.A N LEU 475.A O no hydrogen 3.106 N/A SER 479.A OG LEU 475.A O no hydrogen 2.820 N/A SER 480.A OG ARG 476.A O no hydrogen 2.917 N/A SER 480.A OG LEU 477.A O no hydrogen 2.880 N/A GLN 481.A N LEU 477.A O no hydrogen 2.768 N/A GLY 482.A N SER 478.A O no hydrogen 3.155 N/A THR 483.A N SER 479.A O no hydrogen 3.243 N/A GLU 485.A N GLN 481.A O no hydrogen 2.974 N/A THR 486.A N GLY 482.A O no hydrogen 3.245 N/A THR 486.A OG1 THR 483.A O no hydrogen 2.613 N/A SER 487.A N THR 483.A O no hydrogen 2.767 N/A SER 487.A OG THR 483.A O no hydrogen 3.179 N/A SER 487.A OG ILE 484.A O no hydrogen 3.025 N/A LEU 488.A N ILE 484.A O no hydrogen 2.973 N/A GLN 489.A NE2 GLU 485.A OE2 no hydrogen 3.489 N/A ASP 490.A N THR 486.A O no hydrogen 3.215 N/A ILE 491.A N SER 487.A O no hydrogen 3.213 N/A ASP 492.A N LEU 488.A O no hydrogen 2.791 N/A SER 493.A N GLN 489.A O no hydrogen 2.755 N/A ARG 494.A N ASP 490.A O no hydrogen 2.981 N/A ARG 494.A NH1 GLN 598.A OE1 no hydrogen 2.491 N/A ARG 494.A NH2 GLN 598.A OE1 no hydrogen 3.366 N/A LEU 495.A N ILE 491.A O no hydrogen 2.834 N/A SER 496.A OG SER 493.A O no hydrogen 2.409 N/A SER 500.A OG SER 500.A O no hydrogen 2.492 N/A ALA 506.A N ASP 503.A O no hydrogen 3.243 N/A GLN 508.A N TRP 505.A O no hydrogen 2.952 N/A THR 511.A N GLN 416.A OE1 no hydrogen 2.743 N/A THR 511.A OG1 GLN 416.A OE1 no hydrogen 3.506 N/A HIS 512.A N ASP 515.A OD1 no hydrogen 2.765 N/A ASP 515.A N HIS 512.A O no hydrogen 2.908 N/A ARG 516.A N PRO 513.A O no hydrogen 3.334 N/A GLU 519.A N GLU 519.A OE1 no hydrogen 2.600 N/A LYS 520.A N ARG 516.A O no hydrogen 2.959 N/A LYS 520.A NZ ASP 515.A O no hydrogen 3.208 N/A LEU 521.A N ASN 517.A O no hydrogen 3.067 N/A GLN 522.A N VAL 518.A O no hydrogen 2.876 N/A GLN 522.A NE2 ASN 526.A OD1 no hydrogen 2.852 N/A VAL 523.A N GLU 519.A O no hydrogen 3.011 N/A LEU 525.A N LEU 521.A O no hydrogen 3.046 N/A ASN 526.A N GLN 522.A O no hydrogen 2.731 N/A CYS 527.A N VAL 523.A O no hydrogen 3.256 N/A CYS 527.A SG VAL 523.A O no hydrogen 3.378 N/A MET 528.A N LEU 524.A O no hydrogen 3.151 N/A THR 529.A N LEU 525.A O no hydrogen 3.030 N/A GLU 530.A N ASN 526.A O no hydrogen 3.085 N/A ILE 531.A N CYS 527.A O no hydrogen 3.468 N/A TYR 532.A N MET 528.A O no hydrogen 2.905 N/A TYR 533.A N THR 529.A O no hydrogen 3.188 N/A GLN 534.A N GLU 530.A O no hydrogen 3.243 N/A GLN 534.A NE2 ASP 538.A OD1 no hydrogen 2.759 N/A PHE 535.A N ILE 531.A O no hydrogen 2.975 N/A LYS 536.A N TYR 532.A O no hydrogen 3.137 N/A LYS 536.A NZ GLU 101.A OE2 no hydrogen 3.435 N/A LYS 537.A N TYR 533.A O no hydrogen 3.301 N/A LYS 537.A NZ GLN 534.A OE1 no hydrogen 3.324 N/A ASP 538.A N PHE 535.A O no hydrogen 3.309 N/A LYS 539.A N PHE 535.A O no hydrogen 2.961 N/A ALA 540.A N LYS 536.A O no hydrogen 3.262 N/A ARG 542.A N LYS 539.A O no hydrogen 3.316 N/A ARG 542.A NH1 LYS 539.A O no hydrogen 3.415 N/A ARG 543.A N GLU 541.A O no hydrogen 2.434 N/A GLU 549.A N ALA 545.A O no hydrogen 2.686 N/A GLN 550.A N TYR 546.A O no hydrogen 3.231 N/A GLN 550.A N ASN 547.A O no hydrogen 3.279 N/A ILE 551.A N ASN 547.A O no hydrogen 3.219 N/A HIS 552.A N GLU 548.A O no hydrogen 3.055 N/A HIS 552.A ND1 ASP 538.A OD2 no hydrogen 3.125 N/A HIS 552.A NE2 ASP 391.A OD2 no hydrogen 2.715 N/A LYS 553.A N GLU 549.A O no hydrogen 3.335 N/A LYS 553.A NZ GLU 549.A OE2 no hydrogen 3.490 N/A PHE 554.A N GLN 550.A O no hydrogen 2.865 N/A ASP 555.A N ILE 551.A O no hydrogen 2.943 N/A LYS 556.A N HIS 552.A O no hydrogen 3.103 N/A LYS 556.A NZ HIS 383.A O no hydrogen 2.794 N/A LYS 556.A NZ ASP 391.A OD1 no hydrogen 2.594 N/A GLN 557.A N LYS 553.A O no hydrogen 3.281 N/A GLN 557.A NE2 TYR 561.A OH no hydrogen 3.257 N/A LYS 558.A N PHE 554.A O no hydrogen 3.013 N/A TYR 561.A N GLN 557.A O no hydrogen 3.365 N/A HIS 562.A N LYS 558.A O no hydrogen 3.084 N/A ALA 563.A N LEU 559.A O no hydrogen 3.176 N/A THR 564.A N TYR 560.A O no hydrogen 2.817 N/A THR 564.A OG1 TYR 560.A O no hydrogen 2.767 N/A LYS 565.A N TYR 561.A O no hydrogen 3.013 N/A ALA 566.A N HIS 562.A O no hydrogen 3.079 N/A MET 567.A N ALA 563.A O no hydrogen 2.877 N/A THR 568.A N THR 564.A O no hydrogen 2.992 N/A THR 568.A OG1 THR 564.A O no hydrogen 2.846 N/A HIS 569.A N LYS 565.A O no hydrogen 3.307 N/A HIS 569.A NE2 ASN 517.A OD1 no hydrogen 3.059 N/A PHE 570.A N ALA 566.A O no hydrogen 2.953 N/A THR 571.A N MET 567.A O no hydrogen 3.253 N/A THR 571.A OG1 MET 567.A O no hydrogen 3.275 N/A THR 571.A OG1 THR 568.A O no hydrogen 3.294 N/A THR 571.A OG1 ASP 572.A OD1 no hydrogen 2.615 N/A ASP 572.A N THR 568.A O no hydrogen 2.859 N/A GLU 573.A N HIS 569.A O no hydrogen 3.255 N/A CYS 574.A N HIS 569.A O no hydrogen 3.343 N/A CYS 574.A SG HIS 569.A O no hydrogen 3.873 N/A VAL 575.A N PHE 570.A O no hydrogen 2.797 N/A LYS 576.A N THR 571.A O no hydrogen 3.315 N/A LYS 577.A N GLU 573.A O no hydrogen 3.241 N/A LYS 577.A NZ GLU 573.A OE2 no hydrogen 2.919 N/A TYR 578.A N CYS 574.A O no hydrogen 3.346 N/A GLU 579.A N VAL 575.A O no hydrogen 2.874 N/A ALA 580.A N LYS 576.A O no hydrogen 3.159 N/A PHE 581.A N LYS 577.A O no hydrogen 3.032 N/A LEU 582.A N TYR 578.A O no hydrogen 2.863 N/A ASN 583.A N GLU 579.A O no hydrogen 3.026 N/A LYS 584.A N ALA 580.A O no hydrogen 3.226 N/A LYS 584.A NZ GLU 509.A OE1 no hydrogen 3.196 N/A SER 585.A OG PHE 581.A O no hydrogen 2.337 N/A GLU 586.A N LEU 582.A O no hydrogen 3.305 N/A TRP 588.A N LYS 584.A O no hydrogen 3.345 N/A TRP 588.A NE1 LEU 501.A O no hydrogen 2.568 N/A ILE 589.A N SER 585.A O no hydrogen 3.089 N/A LYS 591.A N GLU 587.A O no hydrogen 3.287 N/A LYS 591.A NZ SER 500.A O no hydrogen 3.177 N/A LYS 591.A NZ SER 500.A OG no hydrogen 3.231 N/A MET 592.A N ILE 589.A O no hydrogen 3.022 N/A LEU 593.A N ILE 589.A O no hydrogen 2.764 N/A HIS 594.A N ARG 590.A O no hydrogen 3.042 N/A ARG 596.A N MET 592.A O no hydrogen 3.046 N/A ARG 596.A NH1 GLU 331.A OE1 no hydrogen 3.421 N/A ARG 596.A NH2 GLU 331.A OE1 no hydrogen 2.867 N/A ARG 596.A NH2 GLU 331.A OE2 no hydrogen 3.194 N/A LYS 597.A N LEU 593.A O no hydrogen 3.237 N/A GLN 598.A N HIS 594.A O no hydrogen 3.185 N/A LEU 599.A N LEU 595.A O no hydrogen 2.914 N/A LEU 600.A N ARG 596.A O no hydrogen 3.081 N/A SER 601.A N LYS 597.A O no hydrogen 3.322 N/A LEU 602.A N GLN 598.A O no hydrogen 2.795 N/A THR 603.A N LEU 599.A O no hydrogen 2.911 N/A THR 603.A OG1 THR 437.A OG1 no hydrogen 3.104 N/A THR 603.A OG1 LEU 599.A O no hydrogen 2.513 N/A ASN 604.A N LEU 600.A O no hydrogen 2.902 N/A GLN 605.A N SER 601.A O no hydrogen 2.869 N/A CYS 606.A N THR 603.A O no hydrogen 3.047 N/A CYS 606.A SG LEU 602.A O no hydrogen 3.261 N/A GLU 610.A N PHE 607.A O no hydrogen 3.171 N/A GLU 611.A N PHE 607.A O no hydrogen 3.302 N/A VAL 613.A N ILE 609.A O no hydrogen 3.128 N/A GLN 617.A NE2 SER 614.A OG no hydrogen 3.228 N/A ASN 621.A ND2 ASN 454.A OD1 no hydrogen 2.427 N/A GLU 622.A N TYR 619.A O no hydrogen 3.083 N/A GLU 625.A N GLN 624.A OE1 no hydrogen 2.985 N/A