Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ije_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N SER 388.A OG no hydrogen 3.075 N/A ASN 2.A ND2 LEU 350.A O no hydrogen 3.018 N/A ASN 2.A ND2 ARG 438.A O no hydrogen 2.815 N/A ASP 4.A N ARG 436.A O no hydrogen 3.157 N/A SER 7.A N ASP 4.A OD1 no hydrogen 2.769 N/A ALA 9.A N LEU 434.A O no hydrogen 2.926 N/A TYR 11.A N ALA 432.A O no hydrogen 2.836 N/A TYR 11.A OH ASP 60.A O no hydrogen 3.139 N/A GLY 13.A N ASP 430.A O no hydrogen 2.932 N/A GLY 16.A N ASP 430.A OD1 no hydrogen 2.923 N/A SER 17.A N PRO 14.A O no hydrogen 3.311 N/A SER 17.A OG PRO 14.A O no hydrogen 2.640 N/A SER 17.A OG ASP 430.A OD2 no hydrogen 3.351 N/A PHE 19.A N SER 17.A OG no hydrogen 3.275 N/A PHE 19.A N ASP 430.A OD2 no hydrogen 3.260 N/A GLY 20.A N GLY 39.A O no hydrogen 3.127 N/A PHE 21.A N TYR 18.A O no hydrogen 2.928 N/A ASP 24.A N LEU 37.A O no hydrogen 2.905 N/A PHE 26.A N PHE 35.A O no hydrogen 2.845 N/A SER 29.A N ASP 103.A OD1 no hydrogen 3.137 N/A SER 29.A OG ASP 103.A OD2 no hydrogen 2.511 N/A ALA 30.A N ASP 103.A OD1 no hydrogen 3.436 N/A SER 31.A OG ARG 33.A O no hydrogen 3.545 N/A ARG 33.A N SER 31.A OG no hydrogen 2.751 N/A PHE 35.A N PHE 26.A O no hydrogen 2.936 N/A LEU 36.A N CYS 59.A O no hydrogen 3.221 N/A LEU 37.A N ASP 24.A O no hydrogen 2.577 N/A VAL 38.A N LEU 57.A O no hydrogen 2.908 N/A GLY 39.A N ALA 22.A O no hydrogen 2.570 N/A ALA 40.A N GLN 55.A O no hydrogen 2.769 N/A LYS 42.A N SER 17.A O no hydrogen 2.938 N/A LYS 42.A NZ TYR 18.A OH no hydrogen 3.567 N/A ALA 43.A N ALA 40.A O no hydrogen 3.015 N/A THR 45.A OG1 GLN 47.A OE1 no hydrogen 2.534 N/A GLN 47.A N THR 45.A OG1 no hydrogen 3.428 N/A GLN 47.A NE2 THR 75.A O no hydrogen 3.206 N/A GLU 52.A N ASN 44.A OD1 no hydrogen 2.752 N/A GLY 54.A N ALA 43.A O no hydrogen 2.678 N/A GLN 55.A N ALA 40.A O no hydrogen 3.057 N/A LEU 57.A N VAL 38.A O no hydrogen 2.881 N/A LYS 58.A N GLN 68.A O no hydrogen 2.734 N/A CYS 59.A N LEU 36.A O no hydrogen 2.783 N/A ASP 60.A N ARG 66.A O no hydrogen 3.371 N/A CYS 67.A SG ARG 65.A O no hydrogen 3.720 N/A GLN 68.A N LYS 58.A O no hydrogen 2.828 N/A ILE 70.A N VAL 56.A O no hydrogen 2.987 N/A GLU 71.A N GLU 71.A OE2 no hydrogen 2.969 N/A PHE 72.A N ILE 70.A O no hydrogen 2.915 N/A THR 75.A N ASP 73.A OD2 no hydrogen 2.889 N/A THR 75.A OG1 ASP 73.A OD1 no hydrogen 3.549 N/A THR 75.A OG1 ASP 73.A OD2 no hydrogen 2.712 N/A THR 75.A OG1 GLY 76.A O no hydrogen 3.223 N/A ARG 78.A N GLU 87.A OE2 no hydrogen 3.139 N/A ARG 78.A NH2 GLU 138.A OE1 no hydrogen 3.184 N/A ALA 81.A N ASP 84.A O no hydrogen 3.275 N/A LEU 86.A N ARG 78.A O no hydrogen 2.868 N/A PHE 88.A N HIS 113.A O no hydrogen 2.962 N/A LYS 89.A N ASN 77.A OD1 no hydrogen 3.014 N/A LYS 89.A NZ ASP 73.A OD1 no hydrogen 2.576 N/A LYS 89.A NZ THR 75.A O no hydrogen 3.004 N/A LYS 89.A NZ GLY 76.A O no hydrogen 2.690 N/A HIS 91.A N VAL 51.A O no hydrogen 3.019 N/A HIS 91.A N GLU 52.A O no hydrogen 3.226 N/A GLN 92.A N LYS 89.A O no hydrogen 3.085 N/A GLN 92.A NE2 GLY 53.A O no hydrogen 3.155 N/A PHE 94.A N GLY 53.A O no hydrogen 3.239 N/A GLY 95.A N CYS 108.A O no hydrogen 3.052 N/A ALA 96.A N TRP 93.A O no hydrogen 3.108 N/A SER 97.A OG GLY 158.A O no hydrogen 3.198 N/A ARG 99.A N LEU 106.A O no hydrogen 2.922 N/A ARG 99.A NE ASP 24.A OD1 no hydrogen 3.019 N/A ARG 99.A NH1 ASP 162.A OD1 no hydrogen 3.315 N/A ARG 99.A NH2 ASP 24.A OD1 no hydrogen 3.306 N/A LYS 101.A N LYS 104.A O no hydrogen 2.812 N/A LYS 104.A N LYS 101.A O no hydrogen 3.081 N/A LYS 104.A NZ ASP 132.A OD1 no hydrogen 2.552 N/A ILE 105.A N GLN 131.A O no hydrogen 3.198 N/A LEU 106.A N ARG 99.A O no hydrogen 2.592 N/A ALA 107.A N PHE 129.A O no hydrogen 3.079 N/A CYS 108.A N SER 97.A O no hydrogen 3.200 N/A ALA 109.A N THR 127.A O no hydrogen 2.723 N/A LEU 111.A N GLN 92.A O no hydrogen 2.979 N/A TYR 112.A N ALA 109.A O no hydrogen 2.922 N/A TYR 112.A OH GLU 87.A OE1 no hydrogen 2.637 N/A HIS 113.A N PHE 88.A O no hydrogen 3.373 N/A TRP 114.A N GLU 123.A O no hydrogen 2.762 N/A ARG 115.A N LEU 86.A O no hydrogen 2.901 N/A ARG 115.A NE THR 116.A O no hydrogen 2.959 N/A ARG 115.A NH1 ASP 84.A OD2 no hydrogen 3.397 N/A GLU 123.A N TRP 114.A O no hydrogen 3.017 N/A VAL 125.A N GLU 123.A O no hydrogen 2.964 N/A GLY 126.A N TYR 112.A O no hydrogen 3.094 N/A THR 127.A N ALA 109.A O no hydrogen 3.308 N/A THR 127.A OG1 CYS 128.A O no hydrogen 3.414 N/A THR 127.A OG1 GLU 138.A OE2 no hydrogen 2.791 N/A CYS 128.A N TYR 139.A O no hydrogen 2.856 N/A PHE 129.A N ALA 107.A O no hydrogen 2.745 N/A LEU 130.A N VAL 137.A O no hydrogen 2.772 N/A GLN 131.A N ILE 105.A O no hydrogen 3.020 N/A ASP 132.A N LYS 135.A O no hydrogen 2.864 N/A THR 136.A OG1 GLN 131.A OE1 no hydrogen 2.918 N/A VAL 137.A N LEU 130.A O no hydrogen 2.902 N/A TYR 139.A N CYS 128.A O no hydrogen 2.907 N/A TYR 139.A OH ASP 186.A OD1 no hydrogen 2.453 N/A CYS 142.A SG GLN 152.A OE1 no hydrogen 3.669 N/A CYS 142.A SG SER 176.A OG no hydrogen 3.774 N/A ARG 143.A N ALA 140.A O no hydrogen 2.890 N/A ARG 143.A NE TYR 200.A O no hydrogen 2.978 N/A ARG 143.A NH1 TYR 112.A OH no hydrogen 3.127 N/A ARG 143.A NH1 GLU 138.A OE1 no hydrogen 3.444 N/A ARG 143.A NH1 GLU 138.A OE2 no hydrogen 3.413 N/A ARG 143.A NH2 GLU 138.A OE1 no hydrogen 3.393 N/A ARG 143.A NH2 TYR 200.A O no hydrogen 3.380 N/A SER 144.A N CYS 142.A O no hydrogen 2.935 N/A ASP 146.A N SER 144.A OG no hydrogen 3.371 N/A GLN 152.A N ASP 146.A O no hydrogen 2.945 N/A GLY 153.A N ASP 148.A O no hydrogen 2.667 N/A CYS 155.A N GLN 152.A O no hydrogen 3.224 N/A CYS 155.A SG VAL 125.A O no hydrogen 3.997 N/A CYS 155.A SG SER 176.A OG no hydrogen 3.127 N/A GLN 156.A N PRO 124.A O no hydrogen 2.904 N/A GLY 157.A N VAL 125.A O no hydrogen 2.754 N/A GLY 158.A N GLY 172.A O no hydrogen 3.185 N/A PHE 159.A N GLN 156.A O no hydrogen 3.267 N/A SER 160.A OG GLY 223.A O no hydrogen 2.748 N/A ASP 162.A N LEU 170.A O no hydrogen 2.948 N/A THR 164.A N ARG 168.A O no hydrogen 2.937 N/A THR 164.A OG1 LYS 165.A O no hydrogen 2.958 N/A THR 164.A OG1 ARG 168.A O no hydrogen 3.262 N/A LYS 165.A N ASP 237.A OD2 no hydrogen 2.884 N/A ARG 168.A NH1 GLY 258.A O no hydrogen 3.478 N/A VAL 169.A N ASP 186.A O no hydrogen 2.753 N/A LEU 170.A N ASP 162.A O no hydrogen 2.674 N/A LEU 171.A N ILE 184.A O no hydrogen 2.857 N/A GLY 172.A N SER 160.A O no hydrogen 2.676 N/A GLY 173.A N GLN 182.A O no hydrogen 2.691 N/A GLY 175.A N CYS 155.A O no hydrogen 3.063 N/A SER 176.A N GLY 173.A O no hydrogen 3.478 N/A SER 176.A OG GLY 173.A O no hydrogen 3.430 N/A SER 176.A OG GLN 182.A OE1 no hydrogen 3.122 N/A PHE 177.A N GLY 151.A O no hydrogen 2.874 N/A TYR 178.A N ALA 149.A O no hydrogen 2.818 N/A TRP 179.A N GLY 175.A O no hydrogen 3.139 N/A GLN 180.A N PHE 177.A O no hydrogen 3.138 N/A GLN 180.A NE2 ALA 213.A O no hydrogen 2.922 N/A GLN 180.A NE2 ASP 218.A OD2 no hydrogen 2.963 N/A GLY 181.A N SER 176.A O no hydrogen 2.958 N/A GLN 182.A N LEU 222.A O no hydrogen 3.306 N/A GLN 182.A NE2 THR 210.A O no hydrogen 2.956 N/A LEU 183.A N THR 210.A OG1 no hydrogen 2.929 N/A ILE 184.A N LEU 171.A O no hydrogen 3.012 N/A SER 185.A N LEU 208.A O no hydrogen 2.653 N/A SER 185.A OG VAL 169.A O no hydrogen 2.774 N/A ASP 186.A N VAL 169.A O no hydrogen 3.005 N/A GLN 187.A NE2 ASN 206.A OD1 no hydrogen 3.172 N/A ILE 191.A N GLN 187.A O no hydrogen 3.063 N/A VAL 192.A N VAL 188.A O no hydrogen 3.303 N/A SER 193.A N ALA 189.A O no hydrogen 2.863 N/A LYS 194.A N GLU 190.A O no hydrogen 2.797 N/A LYS 194.A NZ GLU 190.A OE2 no hydrogen 3.237 N/A ASN 198.A N ASP 196.A OD2 no hydrogen 2.920 N/A VAL 199.A N ASP 196.A O no hydrogen 3.164 N/A SER 201.A OG ARG 143.A O no hydrogen 2.962 N/A LEU 208.A N SER 185.A O no hydrogen 2.915 N/A THR 210.A N LEU 183.A O no hydrogen 3.017 N/A THR 210.A OG1 LEU 183.A O no hydrogen 3.216 N/A ALA 213.A N GLN 180.A OE1 no hydrogen 2.819 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.665 N/A PHE 217.A N GLN 214.A O no hydrogen 3.213 N/A ASP 218.A N ALA 215.A O no hydrogen 3.137 N/A ASP 219.A N TYR 178.A O no hydrogen 2.979 N/A SER 220.A N TRP 179.A O no hydrogen 2.764 N/A SER 220.A OG PHE 217.A O no hydrogen 2.507 N/A TYR 221.A N TRP 179.A O no hydrogen 2.971 N/A LEU 222.A N GLN 180.A O no hydrogen 2.913 N/A GLY 223.A N SER 241.A OG no hydrogen 2.969 N/A TYR 224.A N TYR 221.A O no hydrogen 3.229 N/A SER 225.A OG GLY 277.A O no hydrogen 2.798 N/A ALA 227.A N VAL 240.A O no hydrogen 2.932 N/A GLY 229.A N ASP 238.A O no hydrogen 3.070 N/A PHE 231.A N ASP 238.A OD2 no hydrogen 2.657 N/A ASN 232.A N ASP 238.A OD2 no hydrogen 3.209 N/A ASP 238.A N GLY 229.A O no hydrogen 2.772 N/A PHE 239.A N TYR 256.A O no hydrogen 2.639 N/A VAL 240.A N ALA 227.A O no hydrogen 2.814 N/A SER 241.A N TYR 254.A O no hydrogen 2.735 N/A SER 241.A OG SER 225.A O no hydrogen 3.014 N/A SER 241.A OG GLY 242.A O no hydrogen 3.549 N/A GLY 242.A N SER 225.A O no hydrogen 3.343 N/A GLY 242.A N SER 225.A OG no hydrogen 3.214 N/A VAL 243.A N MET 252.A O no hydrogen 2.694 N/A ARG 245.A N SER 220.A O no hydrogen 3.041 N/A ARG 245.A NH1 ASP 219.A O no hydrogen 3.416 N/A ALA 246.A N VAL 243.A O no hydrogen 2.989 N/A THR 249.A N ARG 245.A O no hydrogen 3.359 N/A THR 249.A OG1 ARG 248.A O no hydrogen 2.502 N/A LEU 250.A N ALA 247.A O no hydrogen 3.051 N/A GLY 251.A N ALA 246.A O no hydrogen 2.811 N/A MET 252.A N VAL 243.A O no hydrogen 2.860 N/A VAL 253.A N PHE 267.A O no hydrogen 2.969 N/A TYR 254.A N SER 241.A O no hydrogen 2.791 N/A ILE 255.A N TYR 265.A O no hydrogen 2.877 N/A TYR 256.A N PHE 239.A O no hydrogen 2.593 N/A ASP 257.A N SER 262.A O no hydrogen 2.608 N/A GLY 258.A N ASP 238.A OD1 no hydrogen 2.970 N/A LYS 259.A N ASP 257.A OD1 no hydrogen 3.013 N/A LEU 264.A N ILE 255.A O no hydrogen 2.896 N/A PHE 267.A N VAL 253.A O no hydrogen 2.826 N/A GLY 269.A N GLY 251.A O no hydrogen 3.064 N/A GLN 271.A NE2 MET 301.A O no hydrogen 2.960 N/A ALA 273.A N THR 249.A O no hydrogen 2.972 N/A ALA 274.A N GLN 271.A O no hydrogen 3.409 N/A GLY 277.A N GLY 296.A O no hydrogen 2.944 N/A PHE 278.A N TYR 275.A O no hydrogen 2.986 N/A SER 279.A OG GLY 341.A O no hydrogen 2.650 N/A ALA 281.A N PHE 294.A O no hydrogen 3.011 N/A THR 283.A N ASP 292.A O no hydrogen 3.054 N/A ILE 285.A N ASP 292.A OD2 no hydrogen 2.612 N/A ASN 286.A ND2 ASP 288.A OD2 no hydrogen 2.950 N/A ASP 289.A N ASP 284.A OD1 no hydrogen 2.732 N/A TYR 290.A N ASP 288.A OD1 no hydrogen 3.087 N/A ASP 292.A N THR 283.A O no hydrogen 2.915 N/A VAL 293.A N SER 318.A O no hydrogen 3.066 N/A PHE 294.A N ALA 281.A O no hydrogen 2.892 N/A ILE 295.A N SER 316.A O no hydrogen 3.098 N/A GLY 296.A N SER 279.A O no hydrogen 2.812 N/A ALA 297.A N GLN 314.A O no hydrogen 2.860 N/A LEU 299.A N ALA 274.A O no hydrogen 3.247 N/A PHE 300.A N ALA 297.A O no hydrogen 3.084 N/A MET 301.A N GLN 271.A OE1 no hydrogen 2.545 N/A ARG 303.A NE GLY 307.A O no hydrogen 2.889 N/A GLY 304.A N LYS 308.A O no hydrogen 2.885 N/A GLY 307.A N GLY 304.A O no hydrogen 3.066 N/A GLN 310.A N ASP 302.A O no hydrogen 3.126 N/A GLN 310.A NE2 ASP 302.A OD2 no hydrogen 3.042 N/A VAL 312.A N PHE 300.A O no hydrogen 2.983 N/A GLY 313.A N PHE 300.A O no hydrogen 3.045 N/A GLN 314.A N ALA 297.A O no hydrogen 3.180 N/A VAL 315.A N LEU 331.A O no hydrogen 2.772 N/A SER 316.A N ILE 295.A O no hydrogen 2.870 N/A VAL 317.A N THR 329.A O no hydrogen 2.846 N/A SER 318.A N VAL 293.A O no hydrogen 2.844 N/A SER 318.A OG THR 328.A OG1 no hydrogen 2.923 N/A LEU 319.A N GLN 327.A O no hydrogen 3.058 N/A GLN 320.A N ASP 292.A OD1 no hydrogen 3.075 N/A GLN 320.A NE2 ASP 230.A O no hydrogen 3.376 N/A GLN 320.A NE2 ALA 291.A O no hydrogen 2.788 N/A GLN 327.A N LEU 319.A O no hydrogen 2.806 N/A THR 328.A OG1 SER 318.A OG no hydrogen 2.923 N/A THR 329.A N VAL 317.A O no hydrogen 2.938 N/A GLY 333.A N GLY 313.A O no hydrogen 2.781 N/A PHE 337.A N GLU 311.A O no hydrogen 2.706 N/A ARG 339.A NH1 GLU 311.A OE2 no hydrogen 3.278 N/A SER 342.A N ARG 339.A O no hydrogen 3.144 N/A SER 342.A OG ARG 339.A O no hydrogen 2.702 N/A ALA 345.A N ALA 359.A O no hydrogen 2.863 N/A LEU 347.A N ASP 357.A O no hydrogen 3.001 N/A LEU 350.A N ASP 357.A OD1 no hydrogen 2.551 N/A GLN 352.A N ASP 349.A O no hydrogen 3.233 N/A GLN 352.A NE2 ASP 349.A O no hydrogen 2.473 N/A ASP 353.A N ASP 349.A OD2 no hydrogen 3.138 N/A GLY 354.A N ASP 349.A OD1 no hydrogen 2.676 N/A PHE 355.A N ASP 353.A OD2 no hydrogen 2.894 N/A ASN 356.A ND2 ASP 284.A O no hydrogen 2.711 N/A ASP 357.A N GLY 348.A O no hydrogen 2.615 N/A ILE 358.A N PHE 376.A O no hydrogen 3.026 N/A ALA 359.A N ALA 345.A O no hydrogen 3.014 N/A ILE 360.A N TYR 374.A O no hydrogen 2.672 N/A ALA 361.A N ALA 343.A O no hydrogen 3.087 N/A ALA 362.A N ILE 372.A O no hydrogen 2.874 N/A TYR 364.A OH SER 403.A OG no hydrogen 3.294 N/A GLY 365.A N ALA 362.A O no hydrogen 3.032 N/A GLY 366.A N GLU 335.A OE1 no hydrogen 3.189 N/A GLY 366.A N GLU 335.A OE2 no hydrogen 2.842 N/A ASP 368.A N GLU 367.A OE2 no hydrogen 3.222 N/A GLY 371.A N GLY 365.A O no hydrogen 2.778 N/A ILE 372.A N ALA 362.A O no hydrogen 3.070 N/A VAL 373.A N LEU 391.A O no hydrogen 2.839 N/A TYR 374.A N ILE 360.A O no hydrogen 2.712 N/A ILE 375.A N GLN 389.A O no hydrogen 3.071 N/A PHE 376.A N ILE 358.A O no hydrogen 2.785 N/A ASN 377.A ND2 ASP 357.A OD2 no hydrogen 3.017 N/A GLY 378.A N ASP 357.A OD2 no hydrogen 3.050 N/A ARG 379.A N GLY 382.A O no hydrogen 2.772 N/A GLY 382.A N ARG 379.A O no hydrogen 2.790 N/A ASN 384.A N ASN 377.A O no hydrogen 2.844 N/A VAL 386.A N ASN 384.A OD1 no hydrogen 3.065 N/A SER 388.A N ILE 375.A O no hydrogen 2.972 N/A SER 388.A OG ASN 377.A OD1 no hydrogen 2.710 N/A LEU 391.A N VAL 373.A O no hydrogen 2.794 N/A GLY 393.A N GLY 371.A O no hydrogen 2.721 N/A SER 403.A OG TYR 364.A OH no hydrogen 3.294 N/A SER 403.A OG PRO 401.A O no hydrogen 2.945 N/A GLY 405.A N GLY 425.A O no hydrogen 3.046 N/A TYR 406.A N SER 403.A O no hydrogen 3.090 N/A SER 407.A OG GLY 20.A O no hydrogen 2.704 N/A LYS 409.A N ILE 423.A O no hydrogen 2.972 N/A LYS 409.A NZ ASP 24.A OD1 no hydrogen 3.262 N/A LYS 409.A NZ ASP 24.A OD2 no hydrogen 2.750 N/A ILE 414.A N ASP 421.A OD1 no hydrogen 2.900 N/A TYR 419.A N ASN 417.A O no hydrogen 2.654 N/A TYR 419.A OH LYS 484.A O no hydrogen 2.506 N/A ASP 421.A N THR 412.A O no hydrogen 3.304 N/A LEU 422.A N TYR 435.A O no hydrogen 2.749 N/A ILE 423.A N LYS 409.A O no hydrogen 2.711 N/A VAL 424.A N ILE 433.A O no hydrogen 2.750 N/A GLY 425.A N SER 407.A O no hydrogen 2.795 N/A ALA 426.A N ARG 431.A O no hydrogen 2.758 N/A GLY 428.A N PRO 402.A O no hydrogen 2.978 N/A VAL 429.A N ALA 426.A O no hydrogen 3.175 N/A ASP 430.A N PHE 427.A O no hydrogen 3.108 N/A ARG 431.A N ALA 426.A O no hydrogen 3.119 N/A ALA 432.A N TYR 11.A O no hydrogen 2.897 N/A ILE 433.A N VAL 424.A O no hydrogen 2.713 N/A LEU 434.A N ALA 9.A O no hydrogen 2.824 N/A TYR 435.A N LEU 422.A O no hydrogen 2.630 N/A ARG 436.A NH2 THR 572.A O no hydrogen 3.493 N/A ALA 437.A N ASP 421.A OD2 no hydrogen 2.992 N/A ARG 438.A N ASN 2.A O no hydrogen 2.682 N/A ARG 438.A NE GLN 575.A O no hydrogen 2.740 N/A ARG 438.A NH2 PRO 576.A O no hydrogen 3.344 N/A VAL 440.A N TYR 419.A OH no hydrogen 3.198 N/A ILE 441.A N ILE 577.A O no hydrogen 2.982 N/A THR 442.A N ASP 482.A O no hydrogen 2.683 N/A ASN 444.A N LYS 480.A O no hydrogen 2.638 N/A GLY 446.A N CYS 478.A O no hydrogen 2.803 N/A GLU 448.A N ARG 476.A O no hydrogen 3.212 N/A TYR 450.A N ASN 474.A O no hydrogen 3.262 N/A LEU 454.A N HIS 591.A O no hydrogen 2.967 N/A ASP 457.A N ASN 455.A OD1 no hydrogen 2.700 N/A ASN 458.A N ASN 455.A OD1 no hydrogen 3.236 N/A THR 460.A OG1 ASN 458.A OD1 no hydrogen 2.760 N/A LEU 463.A N LEU 468.A O no hydrogen 3.071 N/A LYS 469.A NZ THR 460.A O no hydrogen 2.720 N/A VAL 470.A N CYS 461.A O no hydrogen 3.038 N/A SER 471.A OG ASN 455.A O no hydrogen 2.449 N/A SER 471.A OG ASN 458.A O no hydrogen 2.907 N/A CYS 472.A SG VAL 470.A O no hydrogen 3.976 N/A PHE 473.A N ALA 540.A O no hydrogen 2.754 N/A VAL 475.A N LEU 538.A O no hydrogen 2.729 N/A ARG 476.A N GLU 448.A O no hydrogen 3.032 N/A CYS 478.A N GLY 446.A O no hydrogen 3.095 N/A CYS 478.A SG MET 533.A O no hydrogen 3.349 N/A LEU 479.A N GLN 534.A O no hydrogen 3.116 N/A LYS 480.A N ASN 444.A O no hydrogen 3.083 N/A ASP 482.A N THR 442.A O no hydrogen 2.996 N/A GLY 483.A N ASP 482.A OD2 no hydrogen 2.737 N/A LYS 484.A NZ GLN 352.A O no hydrogen 2.759 N/A LEU 491.A N ILE 527.A O no hydrogen 2.913 N/A ASN 492.A ND2 THR 567.A O no hydrogen 3.521 N/A PHE 493.A N MET 525.A O no hydrogen 2.691 N/A GLN 494.A N ARG 562.A O no hydrogen 2.747 N/A VAL 495.A N LYS 523.A O no hydrogen 3.193 N/A GLU 496.A N GLU 560.A O no hydrogen 2.884 N/A LEU 497.A N HIS 521.A O no hydrogen 2.919 N/A LEU 498.A N PHE 558.A O no hydrogen 2.751 N/A LEU 499.A N PRO 519.A O no hydrogen 2.908 N/A ASP 500.A N THR 556.A O no hydrogen 2.884 N/A LYS 501.A N THR 556.A O no hydrogen 3.073 N/A LYS 503.A NZ ASP 550.A OD2 no hydrogen 2.998 N/A GLN 504.A N ASP 500.A O no hydrogen 3.430 N/A GLN 504.A NE2 LEU 499.A O no hydrogen 3.535 N/A ALA 507.A N LYS 503.A O no hydrogen 2.986 N/A ARG 510.A NE ASP 500.A OD1 no hydrogen 2.996 N/A ARG 510.A NH1 ASP 550.A O no hydrogen 3.402 N/A ARG 510.A NH1 THR 553.A O no hydrogen 2.991 N/A ARG 510.A NH2 ASP 500.A OD2 no hydrogen 3.301 N/A ARG 510.A NH2 THR 553.A O no hydrogen 3.313 N/A LEU 512.A N TYR 541.A O no hydrogen 2.987 N/A PHE 513.A N SER 518.A O no hydrogen 2.987 N/A LEU 514.A N ILE 539.A O no hydrogen 3.016 N/A ARG 517.A N PHE 513.A O no hydrogen 2.759 N/A SER 518.A OG SER 520.A O no hydrogen 3.257 N/A SER 518.A OG SER 520.A OG no hydrogen 3.212 N/A SER 520.A N SER 518.A OG no hydrogen 3.244 N/A SER 520.A OG SER 518.A OG no hydrogen 3.212 N/A HIS 521.A N LEU 497.A O no hydrogen 3.187 N/A SER 522.A OG GLU 496.A OE1 no hydrogen 2.637 N/A LYS 523.A N VAL 495.A O no hydrogen 3.052 N/A MET 525.A N PHE 493.A O no hydrogen 2.729 N/A THR 526.A OG1 ASN 492.A OD1 no hydrogen 3.044 N/A ARG 529.A N ARG 489.A O no hydrogen 3.072 N/A GLN 534.A N LEU 479.A O no hydrogen 3.169 N/A CYS 535.A SG PHE 477.A O no hydrogen 3.247 N/A GLU 536.A N PHE 477.A O no hydrogen 3.412 N/A LEU 538.A N VAL 475.A O no hydrogen 2.879 N/A ALA 540.A N PHE 473.A O no hydrogen 2.815 N/A TYR 541.A N LEU 512.A O no hydrogen 2.656 N/A ARG 543.A N ARG 510.A O no hydrogen 3.331 N/A GLU 545.A N GLU 545.A OE2 no hydrogen 2.878 N/A SER 546.A OG SER 546.A O no hydrogen 2.276 N/A LEU 552.A N ASP 550.A OD1 no hydrogen 3.011 N/A THR 553.A N ASP 550.A OD1 no hydrogen 3.082 N/A THR 553.A OG1 ASP 550.A OD1 no hydrogen 3.211 N/A THR 553.A OG1 ASP 550.A OD2 no hydrogen 2.508 N/A ILE 555.A N ALA 590.A O no hydrogen 2.615 N/A ILE 557.A N ARG 588.A O no hydrogen 2.663 N/A PHE 558.A N LEU 498.A O no hydrogen 2.808 N/A MET 559.A N ILE 586.A O no hydrogen 2.938 N/A GLU 560.A N GLU 496.A O no hydrogen 2.874 N/A TYR 561.A N ALA 584.A O no hydrogen 2.965 N/A ARG 562.A N GLN 494.A O no hydrogen 3.090 N/A ASP 564.A N ASN 492.A O no hydrogen 3.075 N/A ALA 569.A N ARG 566.A O no hydrogen 3.294 N/A LEU 574.A N ASP 570.A OD2 no hydrogen 2.749 N/A ILE 577.A N PRO 439.A O no hydrogen 2.633 N/A ASN 579.A N ILE 441.A O no hydrogen 3.062 N/A ASN 579.A ND2 THR 582.A OG1 no hydrogen 3.259 N/A THR 582.A OG1 ASN 579.A O no hydrogen 3.439 N/A ILE 586.A N MET 559.A O no hydrogen 2.736 N/A ARG 588.A N ILE 557.A O no hydrogen 2.994 N/A ARG 588.A NE LEU 447.A O no hydrogen 3.211 N/A ARG 588.A NH2 LEU 447.A O no hydrogen 3.353 N/A ALA 590.A N ILE 555.A O no hydrogen 2.856 N/A HIS 591.A N SER 452.A O no hydrogen 3.394 N/A LEU 593.A N LEU 454.A O no hydrogen 2.663 N/A CYS 596.A SG LEU 594.A O no hydrogen 3.504 N/A CYS 596.A SG TYR 639.A OH no hydrogen 3.305 N/A ASP 599.A N GLU 598.A OE2 no hydrogen 2.657 N/A ASN 600.A N GLY 597.A O no hydrogen 3.078 N/A VAL 601.A N ASP 599.A OD1 no hydrogen 3.264 N/A CYS 602.A SG GLY 637.A O no hydrogen 3.519 N/A CYS 602.A SG TYR 639.A OH no hydrogen 3.773 N/A LYS 603.A N GLU 636.A OE1 no hydrogen 2.871 N/A GLU 607.A N GLN 632.A O no hydrogen 2.949 N/A SER 609.A N LYS 630.A O no hydrogen 3.255 N/A SER 612.A N ASP 611.A OD1 no hydrogen 2.595 N/A GLN 614.A NE2 THR 626.A O no hydrogen 2.706 N/A ILE 617.A N ASP 735.A O no hydrogen 2.867 N/A ILE 619.A N ALA 737.A O no hydrogen 2.859 N/A ASN 623.A ND2 TYR 618.A O no hydrogen 3.069 N/A LEU 625.A N PHE 699.A O no hydrogen 3.104 N/A LEU 627.A N LEU 697.A O no hydrogen 3.294 N/A VAL 629.A N ALA 695.A O no hydrogen 2.698 N/A LYS 630.A N SER 609.A O no hydrogen 2.827 N/A ALA 631.A N LEU 693.A O no hydrogen 3.086 N/A GLN 632.A N GLU 607.A O no hydrogen 2.998 N/A GLN 632.A NE2 GLN 634.A OE1 no hydrogen 2.707 N/A ASN 633.A ND2 GLU 636.A O no hydrogen 3.387 N/A GLN 634.A N LYS 605.A O no hydrogen 2.916 N/A GLU 636.A N LYS 603.A O no hydrogen 2.876 N/A ALA 638.A N MET 687.A O no hydrogen 3.085 N/A GLU 642.A N GLN 718.A O no hydrogen 3.035 N/A LEU 643.A N CYS 681.A O no hydrogen 2.706 N/A ILE 644.A N GLN 716.A O no hydrogen 2.908 N/A VAL 645.A N VAL 679.A O no hydrogen 3.109 N/A SER 646.A N ASP 714.A O no hydrogen 2.547 N/A SER 646.A OG ASP 714.A O no hydrogen 2.619 N/A ILE 647.A N ARG 677.A O no hydrogen 2.572 N/A ASP 652.A N SER 700.A O no hydrogen 2.928 N/A ILE 654.A N ARG 698.A O no hydrogen 3.197 N/A VAL 657.A N GLY 696.A O no hydrogen 3.107 N/A ARG 658.A NH1 VAL 656.A O no hydrogen 3.361 N/A ALA 662.A N ASN 660.A OD1 no hydrogen 2.652 N/A LEU 663.A N ASN 660.A O no hydrogen 3.361 N/A ALA 664.A N LEU 694.A O no hydrogen 2.469 N/A ALA 669.A N VAL 680.A O no hydrogen 3.088 N/A LYS 671.A N GLN 678.A O no hydrogen 2.883 N/A LYS 671.A NZ GLU 673.A OE2 no hydrogen 2.783 N/A THR 672.A OG1 LYS 671.A O no hydrogen 3.023 N/A THR 672.A OG1 THR 676.A O no hydrogen 2.876 N/A GLU 673.A N THR 676.A OG1 no hydrogen 2.737 N/A THR 676.A N ASN 674.A O no hydrogen 2.719 N/A ARG 677.A NE ILE 647.A O no hydrogen 2.738 N/A GLN 678.A N LYS 671.A O no hydrogen 3.201 N/A VAL 679.A N VAL 645.A O no hydrogen 2.940 N/A VAL 680.A N ALA 669.A O no hydrogen 2.808 N/A CYS 681.A N LEU 643.A O no hydrogen 2.934 N/A ASP 682.A N SER 667.A O no hydrogen 2.892 N/A LEU 683.A N ALA 641.A O no hydrogen 3.097 N/A MET 687.A N ALA 638.A O no hydrogen 2.858 N/A GLY 690.A N ASN 633.A O no hydrogen 2.574 N/A THR 691.A N LYS 688.A O no hydrogen 3.420 N/A THR 691.A OG1 LYS 688.A O no hydrogen 2.775 N/A THR 691.A OG1 THR 691.A O no hydrogen 2.604 N/A LEU 693.A N ALA 631.A O no hydrogen 2.765 N/A ALA 695.A N VAL 629.A O no hydrogen 2.967 N/A LEU 697.A N LEU 627.A O no hydrogen 3.224 N/A ARG 698.A N GLY 655.A O no hydrogen 3.111 N/A PHE 699.A N LEU 625.A O no hydrogen 2.720 N/A SER 700.A N ASP 652.A O no hydrogen 3.086 N/A VAL 701.A N ASN 623.A O no hydrogen 3.176 N/A HIS 702.A N GLN 650.A O no hydrogen 3.173 N/A HIS 702.A ND1 ASP 622.A OD1 no hydrogen 2.907 N/A HIS 702.A NE2 ASP 652.A OD1 no hydrogen 2.721 N/A SER 705.A OG GLU 706.A OE1 no hydrogen 3.132 N/A GLU 706.A N GLU 706.A OE1 no hydrogen 2.579 N/A SER 710.A N ASP 708.A OD1 no hydrogen 3.345 N/A SER 710.A OG ASP 708.A OD1 no hydrogen 3.404 N/A VAL 711.A N VAL 734.A O no hydrogen 3.022 N/A LYS 712.A NZ ASP 714.A OD1 no hydrogen 3.477 N/A PHE 713.A N HIS 732.A O no hydrogen 3.331 N/A ASP 714.A N SER 646.A O no hydrogen 3.095 N/A LEU 715.A N VAL 730.A O no hydrogen 3.087 N/A GLN 716.A N ILE 644.A O no hydrogen 3.403 N/A GLN 716.A NE2 SER 727.A O no hydrogen 2.699 N/A ILE 717.A N SER 727.A OG no hydrogen 2.879 N/A GLN 718.A N GLU 642.A O no hydrogen 3.136 N/A SER 719.A N LYS 725.A O no hydrogen 2.722 N/A SER 719.A OG LYS 725.A O no hydrogen 2.556 N/A SER 720.A N TYR 639.A O no hydrogen 2.895 N/A SER 720.A OG TYR 639.A O no hydrogen 2.990 N/A LYS 725.A NZ ASN 721.A O no hydrogen 2.970 N/A SER 727.A N ILE 717.A O no hydrogen 2.944 N/A SER 727.A OG PRO 728.A O no hydrogen 2.886 N/A VAL 730.A N LEU 715.A O no hydrogen 2.998 N/A SER 731.A OG ASP 714.A OD2 no hydrogen 3.215 N/A VAL 734.A N VAL 711.A O no hydrogen 3.021 N/A LEU 736.A N THR 709.A O no hydrogen 3.399 N/A ALA 737.A N ILE 617.A O no hydrogen 2.821 N/A LEU 739.A N SER 788.A OG no hydrogen 2.890 N/A GLU 743.A N ARG 783.A O no hydrogen 2.860 N/A ARG 745.A N GLU 781.A O no hydrogen 2.880 N/A VAL 747.A N ILE 779.A O no hydrogen 3.003 N/A SER 748.A OG PRO 750.A O no hydrogen 2.780 N/A SER 748.A OG THR 920.A OG1 no hydrogen 2.767 N/A SER 749.A N GLN 777.A O no hydrogen 2.966 N/A HIS 752.A ND1 ASP 751.A OD1 no hydrogen 2.760 N/A VAL 753.A N ASN 921.A O no hydrogen 3.015 N/A LEU 755.A N THR 923.A O no hydrogen 2.798 N/A LYS 763.A NZ ASP 771.A OD1 no hydrogen 2.946 N/A THR 768.A OG1 GLU 767.A O no hydrogen 2.585 N/A ASP 771.A N THR 768.A OG1 no hydrogen 3.189 N/A VAL 772.A N GLU 769.A O no hydrogen 3.109 N/A GLY 773.A N GLU 769.A O no hydrogen 3.064 N/A VAL 776.A N SER 872.A O no hydrogen 2.569 N/A HIS 778.A N VAL 870.A O no hydrogen 2.941 N/A HIS 778.A ND1 SER 893.A OG no hydrogen 2.893 N/A HIS 778.A NE2 THR 920.A OG1 no hydrogen 2.739 N/A ILE 779.A N VAL 747.A O no hydrogen 3.101 N/A TYR 780.A N LEU 868.A O no hydrogen 2.807 N/A TYR 780.A OH SER 893.A OG no hydrogen 2.552 N/A GLU 781.A N ARG 745.A O no hydrogen 2.822 N/A LEU 782.A N ALA 866.A O no hydrogen 2.900 N/A ARG 783.A N GLU 743.A O no hydrogen 2.765 N/A ARG 783.A NE SER 865.A OG no hydrogen 3.045 N/A ASN 784.A N LYS 864.A O no hydrogen 2.928 N/A ASN 784.A ND2 GLY 786.A O no hydrogen 3.498 N/A ASN 785.A N ALA 741.A O no hydrogen 3.030 N/A ASN 785.A ND2 ALA 741.A O no hydrogen 3.287 N/A ASN 785.A ND2 GLU 743.A OE2 no hydrogen 3.166 N/A GLY 786.A N ALA 741.A O no hydrogen 3.326 N/A SER 788.A N LEU 739.A O no hydrogen 2.837 N/A SER 788.A OG ILE 619.A O no hydrogen 2.658 N/A SER 788.A OG LEU 739.A O no hydrogen 3.017 N/A SER 789.A N TYR 904.A OH no hydrogen 2.916 N/A SER 789.A OG TYR 904.A OH no hydrogen 3.049 N/A PHE 790.A N LEU 860.A O no hydrogen 3.167 N/A SER 791.A N GLU 901.A O no hydrogen 3.071 N/A LYS 792.A N GLU 901.A O no hydrogen 3.467 N/A ALA 793.A N VAL 857.A O no hydrogen 3.053 N/A MET 794.A N ASN 898.A O no hydrogen 2.856 N/A LEU 795.A N CYS 855.A O no hydrogen 2.848 N/A HIS 796.A N SER 896.A O no hydrogen 2.802 N/A LEU 797.A N ILE 853.A O no hydrogen 2.889 N/A GLN 798.A N SER 894.A O no hydrogen 2.676 N/A TRP 799.A N LEU 851.A O no hydrogen 2.818 N/A TRP 799.A NE1 LEU 809.A O no hydrogen 3.294 N/A TYR 801.A N GLN 849.A O no hydrogen 2.906 N/A LYS 802.A N GLN 849.A O no hydrogen 3.397 N/A TYR 803.A N ASN 806.A O no hydrogen 2.877 N/A ASN 806.A N TYR 803.A O no hydrogen 2.856 N/A TYR 810.A N LEU 873.A O no hydrogen 2.598 N/A TYR 810.A OH ASN 829.A OD1 no hydrogen 2.887 N/A LEU 812.A N LYS 871.A O no hydrogen 3.008 N/A HIS 813.A N LYS 871.A O no hydrogen 3.328 N/A TYR 814.A OH CYS 822.A O no hydrogen 3.182 N/A ASP 815.A N TYR 869.A O no hydrogen 2.718 N/A ASP 817.A N ILE 867.A O no hydrogen 2.812 N/A ASN 821.A N GLN 856.A O no hydrogen 3.142 N/A THR 823.A N VAL 854.A O no hydrogen 2.900 N/A SER 824.A OG MET 826.A O no hydrogen 2.689 N/A ASP 825.A N LYS 852.A O no hydrogen 3.065 N/A MET 826.A N SER 824.A OG no hydrogen 3.291 N/A ASN 829.A ND2 ILE 833.A O no hydrogen 2.928 N/A LEU 831.A N TYR 810.A OH no hydrogen 2.874 N/A ARG 832.A N ASN 829.A O no hydrogen 3.138 N/A ILE 833.A N ASN 829.A OD1 no hydrogen 2.824 N/A SER 836.A N GLU 769.A OE1 no hydrogen 3.250 N/A SER 837.A OG ILE 835.A O no hydrogen 3.339 N/A LEU 843.A N SER 890.A O no hydrogen 2.817 N/A CYS 845.A SG TRP 799.A O no hydrogen 3.451 N/A ALA 848.A N GLY 844.A O no hydrogen 2.749 N/A GLN 849.A N LYS 802.A O no hydrogen 2.682 N/A LEU 851.A N TRP 799.A O no hydrogen 2.938 N/A LYS 852.A N ASP 825.A OD1 no hydrogen 2.909 N/A ILE 853.A N LEU 797.A O no hydrogen 3.043 N/A VAL 854.A N THR 823.A O no hydrogen 3.058 N/A CYS 855.A N LEU 795.A O no hydrogen 2.745 N/A GLN 856.A N ASN 821.A O no hydrogen 2.828 N/A GLN 856.A NE2 ASN 821.A O no hydrogen 3.352 N/A VAL 857.A N ALA 793.A O no hydrogen 2.815 N/A GLY 858.A N PRO 819.A O no hydrogen 2.798 N/A ARG 859.A NH1 ASP 861.A OD1 no hydrogen 3.134 N/A ARG 859.A NH2 GLU 706.A OE2 no hydrogen 3.371 N/A ARG 862.A NH2 GLY 620.A O no hydrogen 3.442 N/A GLY 863.A N ASN 784.A O no hydrogen 2.706 N/A SER 865.A OG GLU 781.A OE1 no hydrogen 3.461 N/A ALA 866.A N LEU 782.A O no hydrogen 2.865 N/A ILE 867.A N ASP 817.A O no hydrogen 2.746 N/A LEU 868.A N TYR 780.A O no hydrogen 2.768 N/A TYR 869.A N ASP 815.A O no hydrogen 2.789 N/A VAL 870.A N HIS 778.A O no hydrogen 3.136 N/A LYS 871.A N HIS 813.A O no hydrogen 2.898 N/A LYS 871.A NZ GLU 769.A OE1 no hydrogen 3.304 N/A SER 872.A N VAL 776.A O no hydrogen 2.989 N/A SER 872.A OG VAL 776.A O no hydrogen 2.887 N/A LEU 873.A N TYR 810.A O no hydrogen 2.598 N/A LEU 874.A N PRO 774.A O no hydrogen 3.095 N/A TRP 875.A N LEU 808.A O no hydrogen 2.644 N/A TRP 875.A NE1 GLU 877.A OE2 no hydrogen 3.195 N/A THR 876.A N VAL 772.A O no hydrogen 3.356 N/A THR 876.A OG1 VAL 772.A O no hydrogen 2.641 N/A MET 880.A N THR 876.A O no hydrogen 3.141 N/A ASN 881.A ND2 GLU 883.A OE2 no hydrogen 3.169 N/A GLU 883.A N GLU 883.A OE2 no hydrogen 2.678 N/A TYR 889.A N VAL 922.A O no hydrogen 2.938 N/A TYR 889.A OH ASN 881.A OD1 no hydrogen 3.399 N/A SER 890.A N HIS 841.A O no hydrogen 2.756 N/A SER 890.A OG THR 919.A OG1 no hydrogen 2.817 N/A SER 890.A OG ASN 921.A OD1 no hydrogen 2.831 N/A LEU 891.A N THR 920.A O no hydrogen 3.026 N/A LYS 892.A N LEU 843.A O no hydrogen 3.182 N/A SER 893.A N VAL 918.A O no hydrogen 3.113 N/A SER 893.A OG HIS 778.A ND1 no hydrogen 2.893 N/A SER 893.A OG TYR 780.A OH no hydrogen 2.552 N/A SER 893.A OG VAL 918.A O no hydrogen 3.536 N/A SER 894.A N GLN 798.A O no hydrogen 3.018 N/A ALA 895.A N THR 916.A O no hydrogen 2.956 N/A SER 896.A N HIS 796.A O no hydrogen 2.845 N/A PHE 897.A N ASN 914.A O no hydrogen 2.935 N/A ASN 898.A N MET 794.A O no hydrogen 2.906 N/A ASN 898.A ND2 ILE 912.A O no hydrogen 3.037 N/A VAL 899.A N ILE 912.A O no hydrogen 2.811 N/A ILE 900.A N LYS 792.A O no hydrogen 3.118 N/A GLU 901.A N LYS 792.A O no hydrogen 3.290 N/A LEU 907.A N TYR 904.A O no hydrogen 3.232 N/A ASN 914.A N PHE 897.A O no hydrogen 3.380 N/A SER 915.A N ASN 914.A OD1 no hydrogen 2.973 N/A THR 916.A N ALA 895.A O no hydrogen 3.017 N/A THR 916.A OG1 ILE 744.A O no hydrogen 2.830 N/A VAL 918.A N SER 893.A O no hydrogen 3.046 N/A THR 919.A OG1 SER 890.A OG no hydrogen 2.817 N/A THR 919.A OG1 LEU 891.A O no hydrogen 3.561 N/A THR 919.A OG1 ASN 921.A OD1 no hydrogen 3.066 N/A THR 920.A N LEU 891.A O no hydrogen 2.810 N/A THR 920.A OG1 SER 748.A OG no hydrogen 2.767 N/A THR 920.A OG1 HIS 778.A NE2 no hydrogen 2.739 N/A ASN 921.A N ASP 751.A O no hydrogen 3.098 N/A VAL 922.A N TYR 889.A O no hydrogen 2.716 N/A THR 923.A N VAL 753.A O no hydrogen 3.218 N/A ILE 926.A N TRP 924.A O no hydrogen 2.732 N/A