Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k4d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG HIS 2.A O no hydrogen 3.569 N/A ARG 5.A NH1 ASP 341.A OD1 no hydrogen 2.742 N/A THR 9.A N THR 11.A O no hydrogen 2.708 N/A THR 9.A OG1 GLU 8.A O no hydrogen 2.193 N/A GLU 13.A N GLU 8.A OE1 no hydrogen 2.825 N/A ILE 14.A N LEU 178.A O no hydrogen 2.782 N/A TRP 21.A N ILE 47.A O no hydrogen 2.889 N/A TRP 21.A NE1 ASP 18.A O no hydrogen 3.052 N/A ALA 22.A N GLN 72.A O no hydrogen 2.637 N/A SER 24.A N TRP 70.A O no hydrogen 3.164 N/A ASP 26.A N ASN 68.A O no hydrogen 2.967 N/A ASN 29.A N ASP 26.A O no hydrogen 3.107 N/A CYS 30.A N ASP 26.A OD1 no hydrogen 2.929 N/A GLY 31.A N ASP 26.A OD1 no hydrogen 3.295 N/A GLY 31.A N ASP 26.A OD2 no hydrogen 3.049 N/A GLN 34.A N CYS 30.A O no hydrogen 2.895 N/A ARG 35.A N ILE 32.A O no hydrogen 3.113 N/A TRP 36.A N GLY 31.A O no hydrogen 3.109 N/A TRP 36.A NE1 GLN 34.A OE1 no hydrogen 3.023 N/A GLU 38.A N ARG 35.A O no hydrogen 2.647 N/A SER 39.A N TRP 36.A O no hydrogen 3.326 N/A SER 39.A OG ALA 40.A O no hydrogen 3.563 N/A LEU 41.A N GLN 72.A OE1 no hydrogen 2.495 N/A ARG 45.A N PHE 23.A O no hydrogen 2.840 N/A ILE 47.A N TRP 21.A O no hydrogen 2.939 N/A VAL 49.A N GLY 19.A O no hydrogen 2.725 N/A GLY 51.A N ILE 172.A O no hydrogen 2.766 N/A SER 52.A OG HIS 173.A NE2 no hydrogen 2.716 N/A PHE 53.A N ALA 170.A O no hydrogen 2.830 N/A ASN 54.A ND2 ALA 170.A O no hydrogen 3.174 N/A ALA 58.A N ASP 55.A O no hydrogen 3.475 N/A ASP 61.A N ASP 59.A OD1 no hydrogen 3.260 N/A ARG 63.A N ASP 59.A O no hydrogen 3.015 N/A ARG 63.A NE ASP 55.A OD1 no hydrogen 2.747 N/A ARG 63.A NH2 TYR 169.A OH no hydrogen 3.163 N/A ASN 64.A N ALA 60.A O no hydrogen 2.857 N/A TYR 65.A N ILE 62.A O no hydrogen 3.364 N/A TYR 65.A OH ASP 26.A O no hydrogen 2.875 N/A TYR 65.A OH ASN 68.A O no hydrogen 2.607 N/A GLY 67.A N ASN 138.A OD1 no hydrogen 2.883 N/A VAL 69.A N VAL 136.A O no hydrogen 3.014 N/A TRP 70.A N SER 24.A O no hydrogen 2.870 N/A TRP 70.A NE1 ASP 26.A OD2 no hydrogen 3.000 N/A TYR 71.A N VAL 134.A O no hydrogen 2.909 N/A GLN 72.A N ALA 22.A O no hydrogen 2.742 N/A GLN 72.A NE2 TRP 36.A O no hydrogen 3.487 N/A GLN 72.A NE2 SER 39.A O no hydrogen 2.876 N/A GLN 72.A NE2 THR 133.A OG1 no hydrogen 2.555 N/A ARG 73.A N ILE 132.A O no hydrogen 3.060 N/A ARG 73.A NH1 GLU 74.A O no hydrogen 2.823 N/A VAL 75.A N VAL 130.A O no hydrogen 2.789 N/A ILE 77.A N LYS 128.A O no hydrogen 3.090 N/A TRP 81.A N PRO 78.A O no hydrogen 3.075 N/A GLN 84.A N TRP 81.A O no hydrogen 2.997 N/A ARG 85.A N THR 181.A O no hydrogen 2.584 N/A ARG 85.A NE ASP 119.A OD2 no hydrogen 3.433 N/A ILE 86.A N THR 121.A OG1 no hydrogen 2.826 N/A VAL 87.A N TYR 179.A O no hydrogen 2.610 N/A LEU 88.A N ALA 118.A O no hydrogen 2.948 N/A ARG 89.A N MET 177.A O no hydrogen 2.770 N/A ARG 89.A NE ASP 91.A OD1 no hydrogen 3.180 N/A ARG 89.A NH1 LEU 4.A O no hydrogen 2.746 N/A ARG 89.A NH1 GLU 117.A OE1 no hydrogen 3.427 N/A ARG 89.A NH2 GLU 337.A OE2 no hydrogen 3.205 N/A PHE 90.A N PHE 116.A O no hydrogen 2.863 N/A ASP 91.A N SER 175.A O no hydrogen 2.763 N/A THR 94.A N GLY 171.A O no hydrogen 2.844 N/A THR 94.A OG1 GLY 112.A O no hydrogen 2.713 N/A THR 94.A OG1 HIS 173.A ND1 no hydrogen 2.564 N/A TYR 96.A OH GLU 108.A OE2 no hydrogen 2.689 N/A GLY 97.A N HIS 109.A O no hydrogen 2.979 N/A LYS 98.A N CYS 135.A O no hydrogen 2.880 N/A VAL 99.A N MET 107.A O no hydrogen 2.975 N/A TRP 100.A N THR 133.A O no hydrogen 2.849 N/A VAL 101.A N GLN 104.A O no hydrogen 2.811 N/A ASN 102.A N ARG 131.A O no hydrogen 2.933 N/A ASN 103.A ND2 TRP 37.A O no hydrogen 3.002 N/A GLN 104.A NE2 GLU 105.A O no hydrogen 3.171 N/A VAL 106.A N VAL 99.A O no hydrogen 2.979 N/A HIS 109.A N GLY 97.A O no hydrogen 2.971 N/A GLY 111.A N HIS 95.A O no hydrogen 2.827 N/A THR 114.A OG1 GLU 389.A OE1 no hydrogen 3.170 N/A PHE 116.A N PHE 90.A O no hydrogen 2.924 N/A ALA 118.A N LEU 88.A O no hydrogen 2.964 N/A VAL 120.A N ILE 86.A O no hydrogen 2.782 N/A THR 121.A N ASP 119.A OD1 no hydrogen 2.740 N/A THR 121.A OG1 ILE 86.A O no hydrogen 3.264 N/A THR 121.A OG1 ASP 119.A OD1 no hydrogen 2.744 N/A THR 121.A OG1 ASP 119.A OD2 no hydrogen 3.363 N/A TYR 123.A N VAL 120.A O no hydrogen 2.786 N/A GLY 127.A N ILE 77.A O no hydrogen 2.825 N/A LYS 128.A N ILE 125.A O no hydrogen 3.091 N/A SER 129.A OG VAL 75.A O no hydrogen 3.427 N/A VAL 130.A N VAL 75.A O no hydrogen 2.673 N/A ARG 131.A NE TRP 37.A O no hydrogen 3.239 N/A ARG 131.A NH2 TRP 37.A O no hydrogen 2.740 N/A ILE 132.A N ARG 73.A O no hydrogen 2.694 N/A THR 133.A N TRP 100.A O no hydrogen 3.075 N/A VAL 134.A N TYR 71.A O no hydrogen 2.850 N/A CYS 135.A N LYS 98.A O no hydrogen 2.844 N/A CYS 135.A SG ASN 68.A OD1 no hydrogen 2.849 N/A VAL 136.A N VAL 69.A O no hydrogen 2.888 N/A ASN 137.A N TYR 96.A O no hydrogen 2.850 N/A ASN 138.A ND2 TYR 65.A O no hydrogen 2.775 N/A LEU 140.A N GLN 160.A OE1 no hydrogen 2.824 N/A GLN 143.A N ASN 141.A OD1 no hydrogen 2.859 N/A THR 144.A N ASN 141.A O no hydrogen 3.003 N/A THR 144.A OG1 PRO 146.A O no hydrogen 3.485 N/A GLY 148.A N ASN 141.A O no hydrogen 3.412 N/A MET 149.A N SER 161.A O no hydrogen 3.068 N/A ILE 151.A N LYS 159.A O no hydrogen 2.781 N/A ASP 153.A N LYS 157.A O no hydrogen 3.205 N/A ASN 155.A N ASP 153.A OD1 no hydrogen 2.893 N/A GLY 156.A N ASP 153.A O no hydrogen 2.953 N/A LYS 157.A N ASP 153.A OD1 no hydrogen 3.297 N/A LYS 159.A N ILE 151.A O no hydrogen 2.773 N/A GLN 160.A NE2 LEU 140.A O no hydrogen 3.201 N/A GLN 160.A NE2 SER 161.A O no hydrogen 3.169 N/A SER 161.A N MET 149.A O no hydrogen 3.151 N/A SER 161.A OG MET 149.A O no hydrogen 3.300 N/A PHE 167.A N ALA 550.A O no hydrogen 3.156 N/A ASN 168.A N TYR 162.A OH no hydrogen 2.970 N/A ASN 168.A ND2 ASN 138.A O no hydrogen 3.173 N/A TYR 169.A N PHE 167.A O no hydrogen 2.768 N/A TYR 169.A OH ASP 55.A OD2 no hydrogen 2.535 N/A ARG 174.A NH1 TYR 113.A O no hydrogen 2.738 N/A ARG 174.A NH2 GLU 299.A OE1 no hydrogen 2.817 N/A ARG 174.A NH2 PRO 334.A O no hydrogen 2.766 N/A MET 177.A N ARG 89.A O no hydrogen 2.717 N/A LEU 178.A N ILE 14.A O no hydrogen 3.055 N/A TYR 179.A N VAL 87.A O no hydrogen 2.690 N/A TYR 179.A OH GLU 117.A OE1 no hydrogen 2.801 N/A THR 180.A N ARG 12.A O no hydrogen 2.898 N/A THR 181.A N ARG 85.A O no hydrogen 2.732 N/A ASN 183.A N GLU 263.A OE2 no hydrogen 3.140 N/A THR 184.A OG1 ASN 211.A O no hydrogen 2.875 N/A THR 184.A OG1 SER 260.A OG no hydrogen 2.757 N/A TRP 185.A N ALA 210.A O no hydrogen 3.348 N/A VAL 186.A N ASP 265.A OD2 no hydrogen 2.832 N/A ASP 187.A N VAL 208.A O no hydrogen 2.981 N/A ASP 188.A N VAL 208.A O no hydrogen 3.176 N/A THR 190.A N TRP 206.A O no hydrogen 2.844 N/A VAL 192.A N VAL 204.A O no hydrogen 3.119 N/A HIS 194.A N ALA 202.A O no hydrogen 2.746 N/A ALA 196.A N ASN 200.A O no hydrogen 3.193 N/A CYS 199.A SG ALA 196.A O no hydrogen 3.383 N/A CYS 199.A SG GLN 197.A O no hydrogen 3.284 N/A HIS 201.A N VAL 239.A O no hydrogen 3.037 N/A ALA 202.A N HIS 201.A ND1 no hydrogen 2.521 N/A SER 203.A N GLN 237.A O no hydrogen 2.696 N/A ASP 205.A N THR 235.A O no hydrogen 2.798 N/A TRP 206.A N THR 190.A O no hydrogen 2.890 N/A GLN 207.A N SER 233.A O no hydrogen 3.049 N/A VAL 208.A N ASP 188.A O no hydrogen 2.801 N/A GLY 212.A N VAL 209.A O no hydrogen 3.163 N/A ASP 213.A N LYS 259.A O no hydrogen 3.069 N/A SER 215.A N THR 257.A O no hydrogen 3.265 N/A VAL 216.A N GLY 229.A O no hydrogen 2.665 N/A GLU 217.A N CYS 255.A O no hydrogen 3.329 N/A LEU 218.A N ALA 227.A O no hydrogen 2.993 N/A ARG 219.A N GLU 253.A O no hydrogen 2.718 N/A ARG 219.A NH1 GLU 217.A OE2 no hydrogen 3.050 N/A ARG 219.A NH2 GLU 217.A OE2 no hydrogen 2.658 N/A ASP 220.A N GLN 224.A O no hydrogen 3.116 N/A ALA 221.A N TYR 250.A OH no hydrogen 2.732 N/A GLN 223.A N ASP 220.A O no hydrogen 3.031 N/A GLN 224.A NE2 ASP 220.A OD2 no hydrogen 3.163 N/A VAL 226.A N LEU 218.A O no hydrogen 2.826 N/A GLY 229.A N VAL 216.A O no hydrogen 2.866 N/A THR 235.A N ASP 205.A O no hydrogen 3.222 N/A THR 235.A OG1 ASP 205.A OD1 no hydrogen 1.794 N/A THR 235.A OG1 GLN 237.A OE1 no hydrogen 2.608 N/A GLN 237.A N SER 203.A O no hydrogen 2.962 N/A HIS 242.A N TYR 252.A OH no hydrogen 2.644 N/A TRP 244.A N ILE 273.A O no hydrogen 2.885 N/A TRP 244.A NE1 ASP 344.A O no hydrogen 2.759 N/A GLN 245.A NE2 ASN 286.A OD1 no hydrogen 3.624 N/A GLU 248.A N GLN 245.A O no hydrogen 2.745 N/A GLY 249.A N GLN 245.A O no hydrogen 2.691 N/A TYR 252.A N VAL 271.A O no hydrogen 2.704 N/A GLU 253.A N ARG 219.A O no hydrogen 2.805 N/A LEU 254.A N LEU 269.A O no hydrogen 2.712 N/A CYS 255.A N GLU 217.A O no hydrogen 2.884 N/A VAL 256.A N TYR 267.A O no hydrogen 2.548 N/A THR 257.A N SER 215.A O no hydrogen 3.240 N/A ALA 258.A N ASP 265.A O no hydrogen 2.734 N/A LYS 259.A N ASP 213.A O no hydrogen 2.694 N/A SER 260.A N GLU 263.A O no hydrogen 2.514 N/A SER 260.A OG THR 184.A OG1 no hydrogen 2.757 N/A ASP 265.A N ALA 258.A O no hydrogen 2.745 N/A TYR 267.A N VAL 256.A O no hydrogen 2.662 N/A TYR 267.A OH ARG 5.A O no hydrogen 2.292 N/A LEU 269.A N LEU 254.A O no hydrogen 2.598 N/A VAL 271.A N TYR 252.A O no hydrogen 2.777 N/A ARG 274.A NE PRO 398.A O no hydrogen 2.612 N/A ARG 274.A NH1 ARG 274.A O no hydrogen 3.279 N/A ARG 274.A NH2 PRO 398.A O no hydrogen 3.209 N/A ALA 277.A N LEU 284.A O no hydrogen 2.968 N/A LYS 279.A N GLN 282.A O no hydrogen 3.060 N/A GLN 282.A N LYS 279.A O no hydrogen 2.885 N/A LEU 284.A N ALA 277.A O no hydrogen 2.671 N/A ILE 285.A N LYS 288.A O no hydrogen 2.860 N/A ASN 286.A N SER 275.A O no hydrogen 2.967 N/A HIS 287.A NE2 VAL 195.A O no hydrogen 2.634 N/A LYS 288.A N ILE 285.A O no hydrogen 2.896 N/A LYS 288.A NZ ASN 286.A O no hydrogen 3.135 N/A PHE 290.A N PHE 283.A O no hydrogen 2.776 N/A TYR 291.A N GLY 589.A O no hydrogen 2.982 N/A TYR 291.A OH GLU 541.A OE2 no hydrogen 2.861 N/A PHE 292.A N VAL 539.A O no hydrogen 2.954 N/A THR 293.A N ASN 326.A OD1 no hydrogen 2.761 N/A THR 293.A OG1 GLY 324.A O no hydrogen 3.163 N/A GLY 296.A N VAL 543.A O no hydrogen 3.043 N/A ARG 297.A NH2 ASP 316.A OD2 no hydrogen 2.701 N/A HIS 298.A ND1 TYR 333.A OH no hydrogen 2.591 N/A GLU 299.A N TYR 333.A OH no hydrogen 2.802 N/A LYS 306.A NZ GLU 299.A O no hydrogen 2.898 N/A LYS 306.A NZ TYR 333.A OH no hydrogen 2.709 N/A PHE 308.A N HIS 173.A O no hydrogen 2.768 N/A LEU 312.A N ASP 309.A OD2 no hydrogen 3.176 N/A MET 313.A N ASP 309.A O no hydrogen 3.257 N/A VAL 314.A N ASN 310.A O no hydrogen 2.842 N/A HIS 315.A N VAL 311.A O no hydrogen 2.753 N/A ASP 316.A N LEU 312.A O no hydrogen 2.876 N/A HIS 317.A N MET 313.A O no hydrogen 3.105 N/A ALA 318.A N VAL 314.A O no hydrogen 3.038 N/A LEU 319.A N HIS 315.A O no hydrogen 2.944 N/A MET 320.A N ASP 316.A O no hydrogen 2.861 N/A ASP 321.A N HIS 317.A O no hydrogen 2.903 N/A TRP 322.A N ALA 318.A O no hydrogen 2.808 N/A ILE 323.A N LEU 319.A O no hydrogen 2.874 N/A GLY 324.A N ASP 321.A O no hydrogen 3.114 N/A ALA 325.A N MET 320.A O no hydrogen 2.942 N/A ASN 326.A N THR 293.A O no hydrogen 3.226 N/A ASN 326.A N THR 293.A OG1 no hydrogen 2.906 N/A ASN 326.A ND2 TYR 291.A O no hydrogen 2.816 N/A SER 327.A OG THR 293.A O no hydrogen 2.742 N/A SER 327.A OG ASN 326.A OD1 no hydrogen 3.321 N/A TYR 328.A N VAL 349.A O no hydrogen 3.260 N/A ARG 329.A N PHE 295.A O no hydrogen 3.270 N/A ARG 329.A NH1 HIS 332.A NE2 no hydrogen 3.483 N/A ARG 329.A NH1 GLU 353.A OE1 no hydrogen 3.295 N/A ARG 329.A NH1 GLU 353.A OE2 no hydrogen 3.008 N/A ARG 329.A NH1 ASN 407.A OD1 no hydrogen 2.931 N/A ARG 329.A NH2 THR 498.A O no hydrogen 3.228 N/A ARG 329.A NH2 GLU 499.A OE2 no hydrogen 3.009 N/A THR 330.A N ILE 351.A O no hydrogen 2.820 N/A THR 330.A OG1 TYR 333.A O no hydrogen 3.345 N/A THR 330.A OG1 ASP 352.A OD1 no hydrogen 3.368 N/A SER 331.A N TYR 335.A OH no hydrogen 3.085 N/A SER 331.A OG ARG 297.A O no hydrogen 2.571 N/A SER 331.A OG ARG 329.A O no hydrogen 3.124 N/A HIS 332.A N GLU 353.A OE1 no hydrogen 2.859 N/A TYR 333.A OH HIS 298.A ND1 no hydrogen 2.591 N/A TYR 335.A OH SER 331.A O no hydrogen 3.340 N/A ALA 336.A N GLU 299.A OE2 no hydrogen 3.111 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 3.044 N/A GLU 338.A N GLU 338.A OE2 no hydrogen 2.508 N/A MET 339.A N ALA 336.A O no hydrogen 2.924 N/A ASP 341.A N GLU 337.A O no hydrogen 2.774 N/A TRP 342.A N GLU 338.A O no hydrogen 2.873 N/A ALA 343.A N MET 339.A O no hydrogen 2.929 N/A ASP 344.A N LEU 340.A O no hydrogen 2.911 N/A GLU 345.A N ASP 341.A O no hydrogen 2.898 N/A HIS 346.A N TRP 342.A O no hydrogen 2.739 N/A HIS 346.A ND1 TRP 342.A O no hydrogen 2.950 N/A GLY 347.A N ASP 344.A O no hydrogen 3.452 N/A ILE 348.A N ALA 343.A O no hydrogen 2.747 N/A VAL 349.A N ASN 326.A O no hydrogen 3.245 N/A VAL 350.A N SER 399.A O no hydrogen 2.689 N/A ILE 351.A N TYR 328.A O no hydrogen 2.844 N/A ASP 352.A N MET 402.A O no hydrogen 3.073 N/A GLU 353.A N THR 330.A OG1 no hydrogen 2.903 N/A THR 354.A N SER 404.A O no hydrogen 3.054 N/A THR 354.A OG1 ILE 405.A O no hydrogen 2.715 N/A ALA 356.A N THR 354.A OG1 no hydrogen 3.098 N/A VAL 357.A N ALA 355.A O no hydrogen 2.843 N/A ASN 360.A ND2 GLU 408.A O no hydrogen 2.933 N/A SER 362.A N ASN 360.A OD1 no hydrogen 3.042 N/A TYR 370.A OH ASP 410.A O no hydrogen 2.855 N/A SER 371.A N VAL 375.A O no hydrogen 2.785 N/A ASN 376.A N THR 379.A OG1 no hydrogen 3.157 N/A ASN 376.A ND2 GLN 143.A OE1 no hydrogen 3.399 N/A ASN 376.A ND2 GLU 372.A O no hydrogen 2.937 N/A THR 379.A N ASN 376.A OD1 no hydrogen 3.009 N/A THR 379.A OG1 TRP 142.A O no hydrogen 2.643 N/A THR 379.A OG1 GLN 143.A OE1 no hydrogen 3.393 N/A THR 379.A OG1 ASN 376.A OD1 no hydrogen 3.199 N/A GLN 380.A N ASN 376.A O no hydrogen 2.917 N/A GLN 380.A NE2 TYR 419.A O no hydrogen 2.914 N/A GLN 381.A N GLY 377.A O no hydrogen 3.123 N/A ALA 382.A N GLU 378.A O no hydrogen 2.975 N/A HIS 383.A N THR 379.A O no hydrogen 2.645 N/A LEU 384.A N GLN 380.A O no hydrogen 2.841 N/A GLN 385.A N GLN 381.A O no hydrogen 2.929 N/A GLN 385.A NE2 GLU 389.A OE2 no hydrogen 3.051 N/A ALA 386.A N ALA 382.A O no hydrogen 3.053 N/A ILE 387.A N HIS 383.A O no hydrogen 2.960 N/A LYS 388.A N LEU 384.A O no hydrogen 2.723 N/A GLU 389.A N GLN 385.A O no hydrogen 2.866 N/A LEU 390.A N ALA 386.A O no hydrogen 3.071 N/A ILE 391.A N ILE 387.A O no hydrogen 2.959 N/A ALA 392.A N LYS 388.A O no hydrogen 2.764 N/A ARG 393.A N GLU 389.A O no hydrogen 3.189 N/A ARG 393.A N LEU 390.A O no hydrogen 3.146 N/A ARG 393.A NE ASP 394.A OD1 no hydrogen 2.707 N/A ARG 393.A NH1 TYR 335.A O no hydrogen 3.145 N/A ARG 393.A NH2 TYR 335.A O no hydrogen 2.688 N/A ARG 393.A NH2 ASP 394.A OD1 no hydrogen 3.320 N/A ARG 393.A NH2 ASP 394.A OD2 no hydrogen 2.900 N/A ASP 394.A N LEU 390.A O no hydrogen 2.917 N/A LYS 395.A N ILE 391.A O no hydrogen 2.937 N/A LYS 395.A NZ ASP 188.A OD1 no hydrogen 2.740 N/A LYS 395.A NZ ASP 188.A OD2 no hydrogen 3.266 N/A LYS 395.A NZ THR 190.A OG1 no hydrogen 3.291 N/A ASN 396.A ND2 ILE 189.A O no hydrogen 3.646 N/A HIS 397.A N ASP 394.A O no hydrogen 3.123 N/A HIS 397.A ND1 ASP 344.A OD2 no hydrogen 2.539 N/A SER 399.A N ASP 344.A OD1 no hydrogen 2.803 N/A SER 399.A OG ASP 344.A OD1 no hydrogen 2.756 N/A VAL 400.A N HIS 397.A O no hydrogen 3.025 N/A VAL 401.A N VAL 350.A O no hydrogen 3.145 N/A TRP 403.A N PRO 435.A O no hydrogen 3.169 N/A TRP 403.A NE1 ASP 431.A OD2 no hydrogen 2.700 N/A SER 404.A N ASP 352.A O no hydrogen 2.681 N/A SER 404.A OG GLU 353.A OE2 no hydrogen 2.662 N/A SER 404.A OG ALA 406.A O no hydrogen 3.564 N/A ILE 405.A N THR 437.A O no hydrogen 2.906 N/A ASN 407.A N ALA 356.A O no hydrogen 3.123 N/A GLU 408.A N VAL 439.A O no hydrogen 2.743 N/A THR 411.A OG1 ASP 449.A OD1 no hydrogen 2.834 N/A ARG 412.A N ASP 410.A OD1 no hydrogen 3.074 N/A ARG 412.A NE ASP 410.A OD1 no hydrogen 2.828 N/A ARG 412.A NE ASP 410.A OD2 no hydrogen 3.313 N/A ARG 412.A NH2 SER 362.A OG no hydrogen 3.040 N/A ARG 412.A NH2 ASP 410.A OD2 no hydrogen 2.574 N/A GLN 414.A NE2 GLU 418.A OE1 no hydrogen 3.158 N/A ALA 416.A N PRO 413.A O no hydrogen 3.174 N/A ARG 417.A NH1 THR 450.A O no hydrogen 2.631 N/A ARG 417.A NH1 ASP 453.A OD1 no hydrogen 2.811 N/A ARG 417.A NH1 ASP 453.A OD2 no hydrogen 3.555 N/A ARG 417.A NH2 ASP 453.A OD2 no hydrogen 2.824 N/A TYR 419.A N GLY 415.A O no hydrogen 2.706 N/A PHE 420.A N ALA 416.A O no hydrogen 2.889 N/A ALA 421.A N ARG 417.A O no hydrogen 2.990 N/A ALA 424.A N PHE 420.A O no hydrogen 2.826 N/A GLU 425.A N ALA 421.A O no hydrogen 3.091 N/A ALA 426.A N PRO 422.A O no hydrogen 2.909 N/A THR 427.A N LEU 423.A O no hydrogen 2.831 N/A THR 427.A OG1 LEU 423.A O no hydrogen 2.742 N/A ARG 428.A N ALA 424.A O no hydrogen 3.189 N/A ARG 428.A NH1 ASP 456.A OD1 no hydrogen 3.005 N/A ARG 428.A NH1 ASP 456.A OD2 no hydrogen 3.060 N/A ARG 428.A NH2 LEU 454.A O no hydrogen 3.097 N/A ARG 428.A NH2 ASP 456.A OD1 no hydrogen 2.832 N/A LYS 429.A N GLU 425.A O no hydrogen 3.099 N/A LEU 430.A N ALA 426.A O no hydrogen 2.911 N/A ASP 431.A N THR 427.A O no hydrogen 2.888 N/A ARG 434.A NE VAL 400.A O no hydrogen 2.678 N/A ARG 434.A NH1 LYS 395.A O no hydrogen 3.168 N/A ARG 434.A NH1 ASP 431.A OD2 no hydrogen 2.778 N/A ARG 434.A NH2 LYS 395.A O no hydrogen 2.934 N/A ARG 434.A NH2 HIS 397.A O no hydrogen 3.042 N/A ARG 434.A NH2 VAL 400.A O no hydrogen 3.492 N/A ILE 436.A N ASP 456.A OD2 no hydrogen 2.767 N/A THR 437.A N TRP 403.A O no hydrogen 2.887 N/A THR 437.A OG1 VAL 457.A O no hydrogen 2.778 N/A CYS 438.A SG ALA 406.A O no hydrogen 3.855 N/A VAL 439.A N ALA 406.A O no hydrogen 2.851 N/A ASN 440.A N CYS 459.A O no hydrogen 2.857 N/A ASN 440.A ND2 CYS 444.A O no hydrogen 3.489 N/A CYS 444.A N VAL 441.A O no hydrogen 3.048 N/A CYS 444.A SG THR 411.A OG1 no hydrogen 3.125 N/A ALA 446.A N GLU 483.A OE2 no hydrogen 3.385 N/A THR 448.A N ASP 445.A O no hydrogen 2.977 N/A ASP 449.A N ASP 445.A O no hydrogen 2.940 N/A THR 450.A OG1 THR 411.A O no hydrogen 2.494 N/A ILE 451.A N ASP 449.A OD2 no hydrogen 3.328 N/A SER 452.A N ASP 449.A OD2 no hydrogen 2.978 N/A SER 452.A OG ASP 449.A OD2 no hydrogen 2.796 N/A LEU 454.A N ILE 451.A O no hydrogen 3.033 N/A PHE 455.A N SER 452.A O no hydrogen 3.213 N/A ASP 456.A N ILE 436.A O no hydrogen 2.839 N/A LEU 458.A N PRO 494.A O no hydrogen 2.769 N/A CYS 459.A SG THR 437.A OG1 no hydrogen 3.399 N/A LEU 460.A N ILE 496.A O no hydrogen 2.790 N/A ASN 461.A N ASN 440.A O no hydrogen 2.970 N/A ASN 461.A ND2 ASN 407.A OD1 no hydrogen 3.091 N/A ASN 461.A ND2 GLU 408.A OE2 no hydrogen 2.950 N/A ARG 462.A N GLU 499.A O no hydrogen 2.886 N/A ARG 462.A NE TYR 464.A OH no hydrogen 3.483 N/A ARG 462.A NH1 ASN 440.A O no hydrogen 3.221 N/A ARG 462.A NH1 ASN 461.A O no hydrogen 3.074 N/A ARG 462.A NH2 GLU 483.A OE1 no hydrogen 2.665 N/A TYR 463.A OH GLU 499.A OE1 no hydrogen 2.652 N/A GLY 465.A N VAL 468.A O no hydrogen 2.628 N/A GLY 465.A N GLN 469.A OE1 no hydrogen 3.332 N/A TRP 466.A N TYR 463.A O no hydrogen 3.031 N/A TYR 467.A N TYR 463.A O no hydrogen 3.286 N/A SER 470.A OG TRP 466.A O no hydrogen 2.859 N/A GLY 471.A N GLY 465.A O no hydrogen 3.284 N/A ASP 472.A N GLN 469.A O no hydrogen 2.981 N/A THR 475.A N ASP 472.A OD2 no hydrogen 2.969 N/A ALA 476.A N ASP 472.A O no hydrogen 2.869 N/A GLU 477.A N LEU 473.A O no hydrogen 2.850 N/A VAL 479.A N THR 475.A O no hydrogen 3.101 N/A LEU 480.A N ALA 476.A O no hydrogen 3.000 N/A GLU 481.A N GLU 477.A O no hydrogen 3.092 N/A LYS 482.A N LYS 478.A O no hydrogen 2.994 N/A GLU 483.A N VAL 479.A O no hydrogen 2.921 N/A LEU 484.A N LEU 480.A O no hydrogen 2.953 N/A LEU 485.A N GLU 481.A O no hydrogen 3.052 N/A ALA 486.A N LYS 482.A O no hydrogen 3.060 N/A TRP 487.A N GLU 483.A O no hydrogen 3.029 N/A TRP 487.A NE1 GLU 483.A OE1 no hydrogen 2.882 N/A GLN 488.A N LEU 484.A O no hydrogen 3.051 N/A GLN 488.A NE2 GLU 281.A OE1 no hydrogen 3.047 N/A GLN 488.A NE2 GLU 281.A OE2 no hydrogen 2.917 N/A GLN 488.A NE2 SER 536.A OG no hydrogen 2.904 N/A GLU 489.A N LEU 485.A O no hydrogen 2.912 N/A LYS 490.A N ALA 486.A O no hydrogen 2.780 N/A LYS 490.A NZ ALA 446.A O no hydrogen 2.927 N/A LYS 490.A NZ ASP 449.A O no hydrogen 3.305 N/A LEU 491.A N TRP 487.A O no hydrogen 2.877 N/A HIS 492.A N GLN 488.A O no hydrogen 2.697 N/A GLN 493.A NE2 SER 452.A O no hydrogen 3.497 N/A ILE 495.A N ALA 537.A O no hydrogen 2.753 N/A ILE 496.A N LEU 458.A O no hydrogen 2.660 N/A ILE 497.A N GLY 540.A O no hydrogen 3.012 N/A THR 498.A OG1 LEU 460.A O no hydrogen 3.405 N/A THR 498.A OG1 ASN 461.A OD1 no hydrogen 2.766 N/A GLU 499.A N LEU 460.A O no hydrogen 3.451 N/A TYR 500.A OH HIS 529.A NE2 no hydrogen 2.749 N/A THR 504.A N LYS 562.A O no hydrogen 2.668 N/A THR 504.A OG1 VAL 502.A O no hydrogen 3.134 N/A GLY 507.A N GLU 518.A OE2 no hydrogen 2.747 N/A LEU 508.A N LEU 505.A O no hydrogen 2.853 N/A HIS 509.A ND1 GLU 519.A OE2 no hydrogen 2.723 N/A SER 510.A N GLU 519.A OE1 no hydrogen 3.076 N/A SER 510.A OG ASP 514.A OD1 no hydrogen 3.550 N/A SER 510.A OG ASP 514.A OD2 no hydrogen 2.888 N/A TYR 512.A N SER 510.A OG no hydrogen 3.097 N/A THR 513.A OG1 THR 513.A O no hydrogen 2.541 N/A SER 517.A OG ASP 514.A O no hydrogen 3.010 N/A SER 517.A OG GLU 519.A OE1 no hydrogen 3.447 N/A GLU 518.A N LEU 508.A O no hydrogen 3.003 N/A TYR 520.A N SER 517.A OG no hydrogen 3.032 N/A TYR 520.A OH GLY 465.A O no hydrogen 2.853 N/A GLN 521.A N SER 517.A O no hydrogen 3.028 N/A GLN 521.A NE2 GLY 564.A O no hydrogen 3.308 N/A CYS 522.A N GLU 518.A O no hydrogen 3.124 N/A CYS 522.A SG GLU 518.A O no hydrogen 3.516 N/A CYS 522.A SG SER 574.A OG no hydrogen 3.530 N/A ALA 523.A N GLU 519.A O no hydrogen 2.944 N/A TRP 524.A N TYR 520.A O no hydrogen 2.713 N/A TRP 524.A NE1 TYR 464.A O no hydrogen 2.896 N/A LEU 525.A N GLN 521.A O no hydrogen 3.145 N/A ASP 526.A N CYS 522.A O no hydrogen 3.167 N/A MET 527.A N ALA 523.A O no hydrogen 3.013 N/A TYR 528.A N TRP 524.A O no hydrogen 3.051 N/A TYR 528.A OH TYR 464.A O no hydrogen 2.883 N/A HIS 529.A N LEU 525.A O no hydrogen 2.831 N/A HIS 529.A NE2 TYR 500.A OH no hydrogen 2.749 N/A ARG 530.A N ASP 526.A O no hydrogen 3.068 N/A ARG 530.A NH2 GLU 477.A OE2 no hydrogen 3.528 N/A VAL 531.A N MET 527.A O no hydrogen 3.122 N/A PHE 532.A N TYR 528.A O no hydrogen 2.985 N/A ASP 533.A N HIS 529.A O no hydrogen 3.083 N/A ARG 534.A N VAL 531.A O no hydrogen 2.823 N/A ARG 534.A NH1 GLU 481.A OE2 no hydrogen 3.082 N/A ARG 534.A NH2 GLU 477.A OE1 no hydrogen 2.583 N/A VAL 535.A N PHE 532.A O no hydrogen 3.004 N/A SER 536.A OG GLU 281.A OE1 no hydrogen 3.550 N/A VAL 538.A N VAL 535.A O no hydrogen 3.054 N/A VAL 539.A N ILE 495.A O no hydrogen 2.766 N/A GLU 541.A N PHE 292.A O no hydrogen 2.980 N/A GLN 542.A N ILE 497.A O no hydrogen 2.817 N/A GLN 542.A NE2 SER 327.A OG no hydrogen 2.824 N/A VAL 543.A N GLY 294.A O no hydrogen 2.599 N/A TRP 544.A N TYR 500.A O no hydrogen 2.794 N/A PHE 546.A N GLY 296.A O no hydrogen 3.139 N/A ASP 548.A N PHE 566.A O no hydrogen 3.001 N/A PHE 549.A N ASN 561.A O no hydrogen 3.223 N/A ALA 550.A N ASP 300.A OD1 no hydrogen 3.053 N/A THR 551.A OG1 SER 552.A O no hydrogen 2.979 N/A SER 552.A OG TYR 162.A OH no hydrogen 2.753 N/A ARG 557.A NE LEU 556.A O no hydrogen 3.207 N/A ARG 557.A NH1 ASP 165.A OD1 no hydrogen 3.074 N/A ARG 557.A NH2 TYR 467.A OH no hydrogen 3.357 N/A ARG 557.A NH2 LEU 556.A O no hydrogen 3.438 N/A ASN 561.A N PHE 549.A O no hydrogen 2.932 N/A LYS 562.A N ASP 503.A OD2 no hydrogen 3.109 N/A LYS 562.A NZ VAL 558.A O no hydrogen 2.702 N/A LYS 563.A NZ TYR 467.A OH no hydrogen 3.023 N/A LYS 563.A NZ ASP 503.A OD1 no hydrogen 2.687 N/A GLY 564.A N ASP 548.A OD1 no hydrogen 3.038 N/A ILE 565.A N ASN 545.A O no hydrogen 3.032 N/A ILE 565.A N PHE 546.A O no hydrogen 3.099 N/A PHE 566.A N PHE 546.A O no hydrogen 3.068 N/A THR 567.A N LYS 571.A O no hydrogen 2.823 N/A THR 567.A OG1 ASP 569.A OD1 no hydrogen 2.588 N/A THR 567.A OG1 LYS 571.A O no hydrogen 3.309 N/A ARG 568.A NE ASP 300.A OD2 no hydrogen 2.524 N/A ARG 568.A NH1 ASP 302.A OD1 no hydrogen 3.428 N/A ARG 568.A NH2 TYR 169.A OH no hydrogen 2.888 N/A ARG 568.A NH2 ASP 300.A OD1 no hydrogen 2.958 N/A ARG 568.A NH2 ASP 300.A OD2 no hydrogen 3.292 N/A ARG 570.A N THR 567.A O no hydrogen 2.927 N/A ARG 570.A NE ARG 568.A O no hydrogen 3.220 N/A ARG 570.A NH1 ASP 316.A OD1 no hydrogen 3.134 N/A ARG 570.A NH2 ASP 300.A O no hydrogen 2.844 N/A LYS 571.A N THR 567.A OG1 no hydrogen 2.990 N/A LYS 573.A N ILE 565.A O no hydrogen 2.901 N/A LYS 573.A NZ THR 504.A O no hydrogen 3.175 N/A LYS 573.A NZ ASP 548.A OD1 no hydrogen 2.705 N/A LYS 573.A NZ ASP 548.A OD2 no hydrogen 3.364 N/A LYS 573.A NZ LYS 562.A O no hydrogen 3.312 N/A LYS 573.A NZ GLY 564.A O no hydrogen 2.723 N/A SER 574.A N GLU 518.A OE1 no hydrogen 2.830 N/A SER 574.A OG GLU 518.A OE1 no hydrogen 3.048 N/A ALA 576.A N LYS 573.A O no hydrogen 2.861 N/A PHE 577.A N SER 574.A O no hydrogen 3.208 N/A LEU 579.A N ALA 575.A O no hydrogen 2.920 N/A GLN 580.A N ALA 576.A O no hydrogen 2.969 N/A LYS 581.A N PHE 577.A O no hydrogen 2.964 N/A ARG 582.A N LEU 578.A O no hydrogen 3.134 N/A ARG 582.A NH1 ASP 533.A OD1 no hydrogen 3.399 N/A ARG 582.A NH1 GLU 541.A OE1 no hydrogen 3.281 N/A ARG 582.A NH2 ASP 533.A OD1 no hydrogen 3.189 N/A ARG 582.A NH2 ASP 533.A OD2 no hydrogen 2.406 N/A TRP 583.A N LEU 579.A O no hydrogen 2.704 N/A TRP 583.A NE1 GLU 541.A OE1 no hydrogen 2.610 N/A THR 584.A N GLN 580.A O no hydrogen 2.963 N/A THR 584.A OG1 GLN 580.A O no hydrogen 2.638 N/A THR 584.A OG1 GLN 580.A OE1 no hydrogen 3.272 N/A GLY 585.A N LYS 581.A O no hydrogen 3.124 N/A MET 586.A N ARG 582.A O no hydrogen 3.218 N/A GLU 590.A N ASN 587.A O no hydrogen 2.927 N/A LYS 591.A NZ PHE 532.A O no hydrogen 3.046 N/A LYS 591.A NZ VAL 535.A O no hydrogen 2.940 N/A LYS 591.A NZ VAL 538.A O no hydrogen 2.683 N/A