Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s9v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N SER 202.A OG no hydrogen 2.916 N/A ILE 4.A N ALA 154.A O no hydrogen 2.781 N/A THR 5.A N LYS 200.A O no hydrogen 2.858 N/A ILE 6.A N LEU 152.A O no hydrogen 2.654 N/A THR 7.A N GLU 198.A O no hydrogen 2.884 N/A MET 8.A N ALA 150.A O no hydrogen 2.946 N/A GLN 9.A N ARG 196.A O no hydrogen 2.870 N/A SER 10.A OG GLY 193.A O no hydrogen 2.733 N/A TRP 12.A N VAL 146.A O no hydrogen 3.223 N/A HIS 13.A ND1 GLU 144.A O no hydrogen 2.547 N/A THR 16.A OG1 VAL 26.A O no hydrogen 2.505 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.590 N/A ASP 24.A N PHE 142.A O no hydrogen 2.570 N/A SER 25.A OG HIS 13.A NE2 no hydrogen 3.229 N/A SER 25.A OG THR 16.A O no hydrogen 3.471 N/A VAL 26.A N MET 18.A O no hydrogen 3.245 N/A VAL 27.A N GLU 144.A OE1 no hydrogen 2.964 N/A GLN 28.A N VAL 14.A O no hydrogen 2.661 N/A ARG 29.A NH1 GLN 116.A O no hydrogen 3.025 N/A ARG 29.A NH1 GLU 144.A OE2 no hydrogen 3.376 N/A ARG 29.A NH2 ASN 33.A O no hydrogen 2.664 N/A ARG 29.A NH2 GLN 116.A O no hydrogen 2.956 N/A ASP 30.A N LEU 34.A O no hydrogen 2.865 N/A ASP 32.A N ASP 30.A OD1 no hydrogen 2.978 N/A ASN 33.A N ASP 30.A O no hydrogen 2.970 N/A LEU 34.A N ASP 30.A OD1 no hydrogen 2.929 N/A TYR 36.A OH GLN 28.A OE1 no hydrogen 2.870 N/A ILE 37.A N ALA 99.A O no hydrogen 3.086 N/A GLY 39.A N SER 98.A OG no hydrogen 3.169 N/A LYS 40.A N GLN 449.A OE1 no hydrogen 3.376 N/A LEU 42.A N PRO 38.A O no hydrogen 2.996 N/A THR 43.A N GLY 39.A O no hydrogen 2.913 N/A THR 43.A OG1 GLY 39.A O no hydrogen 2.852 N/A THR 43.A OG1 LYS 40.A O no hydrogen 3.101 N/A GLY 44.A N LYS 40.A O no hydrogen 3.045 N/A ILE 45.A N THR 41.A O no hydrogen 2.870 N/A LEU 46.A N LEU 42.A O no hydrogen 2.884 N/A ARG 47.A N THR 43.A O no hydrogen 2.739 N/A ARG 47.A NE GLU 51.A OE2 no hydrogen 3.174 N/A ARG 47.A NH1 GLY 75.A O no hydrogen 2.677 N/A ARG 47.A NH2 GLY 75.A O no hydrogen 3.296 N/A ASP 48.A N GLY 44.A O no hydrogen 3.214 N/A SER 49.A N ILE 45.A O no hydrogen 3.132 N/A SER 49.A OG ILE 45.A O no hydrogen 3.297 N/A SER 49.A OG THR 183.A OG1 no hydrogen 2.513 N/A CYS 50.A N LEU 46.A O no hydrogen 2.978 N/A CYS 50.A SG LEU 46.A O no hydrogen 3.197 N/A GLU 51.A N ARG 47.A O no hydrogen 2.695 N/A GLN 52.A N ASP 48.A O no hydrogen 3.114 N/A VAL 53.A N SER 49.A O no hydrogen 3.256 N/A ALA 54.A N CYS 50.A O no hydrogen 2.990 N/A LEU 55.A N GLU 51.A O no hydrogen 2.931 N/A GLY 56.A N GLN 52.A O no hydrogen 3.013 N/A LEU 57.A N VAL 53.A O no hydrogen 3.039 N/A ASP 58.A N ALA 54.A O no hydrogen 2.984 N/A ASN 59.A N GLY 56.A O no hydrogen 2.943 N/A GLY 60.A N LEU 55.A O no hydrogen 2.819 N/A GLN 61.A N ASP 58.A O no hydrogen 3.081 N/A GLN 61.A NE2 ASP 58.A O no hydrogen 2.856 N/A ARG 63.A NH1 GLN 82.A OE1 no hydrogen 3.052 N/A TRP 66.A N ASP 58.A OD1 no hydrogen 3.296 N/A HIS 67.A N ASP 58.A OD2 no hydrogen 3.304 N/A GLY 68.A N GLY 64.A O no hydrogen 3.066 N/A TRP 69.A N LEU 65.A O no hydrogen 3.346 N/A TRP 69.A NE1 ASP 220.A O no hydrogen 2.883 N/A ILE 70.A N TRP 66.A O no hydrogen 3.215 N/A ASN 71.A N HIS 67.A O no hydrogen 3.141 N/A ASN 71.A ND2 ASP 76.A OD1 no hydrogen 2.769 N/A PHE 72.A N GLY 68.A O no hydrogen 2.880 N/A ILE 73.A N TRP 69.A O no hydrogen 2.917 N/A PHE 74.A N ILE 70.A O no hydrogen 2.722 N/A ASP 76.A N ARG 90.A O no hydrogen 3.298 N/A LEU 80.A N GLN 77.A O no hydrogen 3.312 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.534 N/A ARG 90.A N ASP 76.A OD2 no hydrogen 3.043 N/A ARG 90.A NE ASP 76.A OD2 no hydrogen 2.910 N/A ARG 90.A NH1 ASP 76.A OD1 no hydrogen 2.878 N/A LEU 93.A N ILE 73.A O no hydrogen 2.820 N/A ILE 94.A N ILE 73.A O no hydrogen 3.327 N/A ALA 95.A N GLU 157.A O no hydrogen 2.889 N/A GLY 97.A N GLU 155.A O no hydrogen 2.911 N/A ALA 99.A N ILE 37.A O no hydrogen 2.967 N/A HIS 100.A N THR 153.A O no hydrogen 3.174 N/A LYS 104.A N ASP 102.A OD1 no hydrogen 3.195 N/A LYS 106.A N ASP 102.A O no hydrogen 2.944 N/A LYS 106.A NZ ASP 30.A OD2 no hydrogen 3.079 N/A LYS 106.A NZ ASP 32.A OD2 no hydrogen 2.599 N/A ALA 107.A N PRO 103.A O no hydrogen 3.107 N/A ALA 108.A N LEU 105.A O no hydrogen 2.993 N/A GLN 110.A N ALA 107.A O no hydrogen 3.210 N/A GLN 110.A NE2 ASP 32.A OD1 no hydrogen 3.284 N/A GLN 110.A NE2 LYS 106.A O no hydrogen 2.900 N/A LYS 112.A N PHE 109.A O no hydrogen 2.918 N/A LYS 112.A NZ SER 725.A O no hydrogen 3.167 N/A LYS 112.A NZ THR 728.A O no hydrogen 2.837 N/A LYS 113.A NZ GLU 117.A OE2 no hydrogen 3.368 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.744 N/A LEU 115.A N LYS 112.A O no hydrogen 2.713 N/A GLN 116.A N LYS 112.A O no hydrogen 3.119 N/A GLN 116.A NE2 PHE 109.A O no hydrogen 3.269 N/A GLU 117.A N LYS 113.A O no hydrogen 3.430 N/A ALA 120.A N GLU 117.A O no hydrogen 3.310 N/A PHE 121.A N VAL 145.A O no hydrogen 2.973 N/A LYS 123.A N GLU 143.A O no hydrogen 2.574 N/A LYS 123.A NZ ASN 194.A OD1 no hydrogen 3.163 N/A GLY 125.A N ARG 141.A O no hydrogen 2.900 N/A ALA 127.A N PHE 139.A O no hydrogen 3.320 N/A ASP 129.A N THR 134.A O no hydrogen 2.883 N/A ILE 131.A N ASP 129.A OD1 no hydrogen 2.756 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.167 N/A THR 132.A OG1 THR 134.A OG1 no hydrogen 3.198 N/A GLY 133.A N ASP 129.A O no hydrogen 2.746 N/A THR 134.A N THR 132.A OG1 no hydrogen 3.424 N/A THR 134.A OG1 THR 132.A OG1 no hydrogen 3.198 N/A LYS 136.A N ALA 127.A O no hydrogen 2.866 N/A PHE 139.A N LYS 136.A O no hydrogen 3.216 N/A LEU 140.A N ASP 138.A O no hydrogen 2.827 N/A ARG 141.A N GLY 125.A O no hydrogen 3.080 N/A PHE 142.A N ASP 24.A OD2 no hydrogen 2.621 N/A GLU 143.A N LYS 123.A O no hydrogen 2.916 N/A GLU 144.A N SER 25.A O no hydrogen 3.016 N/A VAL 145.A N PHE 121.A O no hydrogen 3.013 N/A VAL 146.A N TRP 12.A O no hydrogen 2.916 N/A ARG 147.A N ILE 119.A O no hydrogen 2.987 N/A ARG 147.A NE ALA 118.A O no hydrogen 2.809 N/A ARG 147.A NH1 ALA 118.A O no hydrogen 3.334 N/A LEU 148.A N ASP 11.A OD1 no hydrogen 3.044 N/A GLY 149.A N MET 8.A O no hydrogen 2.831 N/A LEU 152.A N ILE 6.A O no hydrogen 2.810 N/A THR 153.A N HIS 100.A O no hydrogen 3.164 N/A THR 153.A OG1 GLU 3.A OE1 no hydrogen 2.627 N/A THR 153.A OG1 ILE 4.A O no hydrogen 3.418 N/A ALA 154.A N ILE 4.A O no hydrogen 2.699 N/A VAL 156.A N ILE 2.A O no hydrogen 3.139 N/A GLU 157.A N ALA 95.A O no hydrogen 2.849 N/A ASN 159.A N LEU 93.A O no hydrogen 3.379 N/A ASN 159.A ND2 ASN 159.A O no hydrogen 2.496 N/A ASN 163.A ND2 ASP 162.A OD1 no hydrogen 2.862 N/A LEU 164.A N PRO 161.A O no hydrogen 3.529 N/A LYS 169.A N SER 165.A O no hydrogen 2.970 N/A LYS 169.A NZ GLU 166.A OE2 no hydrogen 2.914 N/A LYS 170.A N GLU 166.A O no hydrogen 3.164 N/A VAL 171.A N THR 167.A O no hydrogen 3.180 N/A ILE 172.A N ASN 168.A O no hydrogen 3.000 N/A ALA 173.A N LYS 169.A O no hydrogen 3.067 N/A GLY 174.A N LYS 170.A O no hydrogen 2.878 N/A ILE 175.A N VAL 171.A O no hydrogen 2.933 N/A LEU 176.A N ILE 172.A O no hydrogen 3.125 N/A ALA 177.A N ALA 173.A O no hydrogen 2.947 N/A SER 178.A N GLY 174.A O no hydrogen 2.907 N/A SER 178.A OG GLY 174.A O no hydrogen 2.509 N/A GLY 179.A N ILE 175.A O no hydrogen 2.674 N/A ALA 180.A N LEU 176.A O no hydrogen 2.983 N/A LYS 181.A N ALA 177.A O no hydrogen 3.133 N/A LYS 181.A NZ ASP 206.A OD2 no hydrogen 2.458 N/A LEU 182.A N SER 178.A O no hydrogen 2.990 N/A THR 183.A N GLY 179.A O no hydrogen 3.100 N/A THR 183.A N ALA 180.A O no hydrogen 3.133 N/A THR 183.A OG1 SER 49.A OG no hydrogen 2.513 N/A THR 183.A OG1 GLY 179.A O no hydrogen 2.608 N/A LEU 186.A N GLY 195.A O no hydrogen 2.779 N/A GLY 188.A N HIS 13.A O no hydrogen 2.922 N/A ARG 190.A NE GLY 187.A O no hydrogen 3.030 N/A ARG 192.A N LYS 189.A O no hydrogen 3.017 N/A ARG 192.A NH2 ARG 191.A O no hydrogen 2.836 N/A GLY 193.A N ARG 190.A O no hydrogen 3.086 N/A ASN 194.A N LYS 189.A O no hydrogen 3.227 N/A ASN 194.A ND2 GLU 143.A OE2 no hydrogen 3.245 N/A ASN 194.A ND2 GLY 188.A O no hydrogen 3.642 N/A GLY 195.A N ASP 11.A O no hydrogen 2.853 N/A ARG 196.A N SER 10.A OG no hydrogen 3.116 N/A CYS 197.A N GLU 184.A O no hydrogen 2.942 N/A GLU 198.A N THR 7.A O no hydrogen 2.850 N/A LYS 200.A N THR 5.A O no hydrogen 3.006 N/A SER 202.A N GLU 3.A O no hydrogen 2.915 N/A SER 202.A OG GLU 3.A O no hydrogen 3.544 N/A GLN 208.A N SER 205.A O no hydrogen 2.899 N/A GLN 210.A N ASP 206.A O no hydrogen 2.750 N/A GLN 210.A NE2 GLN 210.A O no hydrogen 3.619 N/A GLN 210.A NE2 ASP 214.A OD1 no hydrogen 3.092 N/A TRP 211.A N GLN 207.A O no hydrogen 3.101 N/A LEU 212.A N GLN 208.A O no hydrogen 3.370 N/A LYS 213.A N ILE 209.A O no hydrogen 2.832 N/A ASP 214.A N GLN 210.A O no hydrogen 2.987 N/A ASN 215.A N LEU 212.A O no hydrogen 3.001 N/A ASN 215.A ND2 TRP 211.A O no hydrogen 2.695 N/A TYR 216.A N LEU 212.A O no hydrogen 2.743 N/A GLN 217.A NE2 TYR 216.A OH no hydrogen 3.539 N/A SER 218.A N ASN 215.A O no hydrogen 2.917 N/A SER 218.A OG ASN 215.A O no hydrogen 2.649 N/A VAL 219.A N TYR 216.A O no hydrogen 3.212 N/A ALA 233.A N ASP 291.A OD2 no hydrogen 2.681 N/A GLY 234.A N ASP 291.A OD2 no hydrogen 3.086 N/A ASN 236.A N GLN 294.A OE1 no hydrogen 3.189 N/A ASN 236.A ND2 ASP 291.A O no hydrogen 2.908 N/A GLN 239.A NE2 ASP 300.A OD1 no hydrogen 2.438 N/A HIS 244.A N LEU 417.A O no hydrogen 2.699 N/A ILE 246.A N LEU 415.A O no hydrogen 2.730 N/A LEU 248.A N ALA 413.A O no hydrogen 2.805 N/A THR 249.A N THR 456.A O no hydrogen 2.700 N/A ILE 250.A N PHE 411.A O no hydrogen 2.696 N/A LYS 251.A N GLU 454.A O no hydrogen 2.842 N/A THR 252.A N GLN 409.A O no hydrogen 2.983 N/A THR 252.A OG1 ILE 406.A O no hydrogen 2.875 N/A THR 252.A OG1 GLN 409.A O no hydrogen 3.492 N/A LEU 253.A N LYS 452.A O no hydrogen 2.835 N/A SER 254.A N LYS 452.A O no hydrogen 3.084 N/A SER 254.A OG PRO 255.A O no hydrogen 3.499 N/A SER 254.A OG GLN 449.A O no hydrogen 3.261 N/A VAL 256.A N ILE 405.A O no hydrogen 2.913 N/A ALA 260.A N GLU 268.A O no hydrogen 2.771 N/A VAL 263.A N VAL 266.A O no hydrogen 3.083 N/A ASN 265.A ND2 VAL 399.A O no hydrogen 3.207 N/A VAL 266.A N VAL 263.A O no hydrogen 3.112 N/A VAL 267.A N SER 401.A O no hydrogen 2.801 N/A GLU 268.A N ARG 261.A O no hydrogen 2.788 N/A CYS 269.A N GLU 403.A OE1 no hydrogen 3.221 N/A CYS 269.A SG VAL 256.A O no hydrogen 3.718 N/A CYS 269.A SG LEU 258.A O no hydrogen 3.880 N/A CYS 269.A SG LEU 270.A O no hydrogen 3.016 N/A LEU 270.A N LEU 258.A O no hydrogen 2.914 N/A ILE 273.A N ALA 306.A O no hydrogen 2.997 N/A GLY 275.A N ASN 305.A OD1 no hydrogen 3.164 N/A TYR 277.A N PRO 274.A O no hydrogen 3.136 N/A LEU 278.A N GLY 275.A O no hydrogen 3.009 N/A TYR 281.A OH LEU 436.A O no hydrogen 2.314 N/A ILE 282.A N LEU 278.A O no hydrogen 2.909 N/A HIS 283.A N LEU 279.A O no hydrogen 2.849 N/A LYS 284.A N GLY 280.A O no hydrogen 3.094 N/A THR 285.A N TYR 281.A O no hydrogen 3.051 N/A THR 285.A OG1 TYR 281.A O no hydrogen 2.960 N/A LEU 286.A N ILE 282.A O no hydrogen 3.008 N/A GLY 287.A N HIS 283.A O no hydrogen 3.341 N/A TYR 289.A N LEU 286.A O no hydrogen 2.853 N/A PHE 290.A N LEU 286.A O no hydrogen 3.297 N/A ASP 291.A N ASN 236.A OD1 no hydrogen 3.005 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 2.831 N/A GLN 294.A N ASP 291.A OD1 no hydrogen 3.136 N/A ALA 295.A N ASP 291.A O no hydrogen 3.081 N/A ILE 296.A N VAL 292.A O no hydrogen 3.149 N/A ALA 297.A N SER 293.A O no hydrogen 3.182 N/A ALA 298.A N GLN 294.A O no hydrogen 2.798 N/A GLY 299.A N ILE 296.A O no hydrogen 2.989 N/A ASP 300.A N ALA 295.A O no hydrogen 2.808 N/A ILE 302.A N ARG 416.A O no hydrogen 3.302 N/A ILE 303.A N THR 577.A O no hydrogen 3.280 N/A THR 304.A N GLU 414.A O no hydrogen 3.227 N/A THR 304.A OG1 ASN 305.A O no hydrogen 3.110 N/A ALA 306.A N ILE 273.A O no hydrogen 2.800 N/A THR 307.A OG1 GLY 315.A O no hydrogen 2.601 N/A LYS 309.A N THR 410.A O no hydrogen 3.120 N/A ILE 310.A N LYS 313.A O no hydrogen 2.626 N/A LYS 313.A N ILE 310.A O no hydrogen 2.845 N/A GLY 315.A N ILE 308.A O no hydrogen 2.529 N/A ARG 316.A N VAL 359.A O no hydrogen 3.040 N/A ARG 316.A NH1 GLY 360.A O no hydrogen 2.551 N/A THR 318.A N GLY 357.A O no hydrogen 3.073 N/A THR 318.A OG1 GLY 356.A O no hydrogen 2.776 N/A THR 318.A OG1 GLY 357.A O no hydrogen 2.780 N/A PHE 320.A N GLY 547.A O no hydrogen 2.980 N/A CYS 321.A SG ASN 339.A OD1 no hydrogen 3.329 N/A LEU 322.A N PRO 319.A O no hydrogen 3.134 N/A PHE 323.A N TYR 338.A O no hydrogen 2.923 N/A GLY 324.A N LYS 352.A O no hydrogen 2.805 N/A GLU 325.A N GLY 336.A O no hydrogen 2.957 N/A LYS 326.A N GLN 350.A O no hydrogen 3.232 N/A GLY 329.A N GLU 325.A O no hydrogen 2.929 N/A GLY 330.A N LYS 335.A O no hydrogen 2.728 N/A LEU 331.A N GLU 354.A OE2 no hydrogen 3.435 N/A GLY 334.A N GLY 330.A O no hydrogen 2.714 N/A TYR 338.A N PHE 323.A O no hydrogen 2.833 N/A ASN 339.A N GLU 343.A OE2 no hydrogen 3.124 N/A ASN 339.A ND2 LEU 590.A O no hydrogen 2.560 N/A ASN 339.A ND2 ALA 592.A O no hydrogen 2.466 N/A ARG 340.A N CYS 321.A O no hydrogen 2.956 N/A ARG 340.A NE GLU 343.A O no hydrogen 2.843 N/A ARG 340.A NH1 ASP 516.A O no hydrogen 2.357 N/A PHE 341.A N ASN 339.A OD1 no hydrogen 3.088 N/A GLN 342.A N ASN 339.A O no hydrogen 2.943 N/A GLU 343.A N ASN 339.A O no hydrogen 2.958 N/A SER 344.A OG ASP 516.A OD2 no hydrogen 2.966 N/A ILE 349.A N ASP 347.A O no hydrogen 2.869 N/A GLN 350.A N GLN 350.A OE1 no hydrogen 2.511 N/A LYS 352.A N GLY 324.A O no hydrogen 2.826 N/A GLU 354.A N LEU 322.A O no hydrogen 2.946 N/A VAL 359.A N ARG 316.A O no hydrogen 2.839 N/A GLY 360.A N ASN 371.A O no hydrogen 2.107 N/A GLN 361.A N ASP 311.A OD2 no hydrogen 2.697 N/A GLU 363.A N GLN 366.A OE1 no hydrogen 2.986 N/A ARG 367.A NE GLU 365.A OE2 no hydrogen 3.213 N/A ARG 367.A NH1 GLU 365.A OE2 no hydrogen 3.048 N/A ASN 368.A ND2 GLN 366.A O no hydrogen 2.960 N/A LEU 369.A N THR 598.A O no hydrogen 3.072 N/A ASN 371.A ND2 ASP 311.A OD1 no hydrogen 2.393 N/A ASN 371.A ND2 ASP 311.A OD2 no hydrogen 3.376 N/A THR 372.A OG1 PRO 370.A O no hydrogen 3.384 N/A GLY 373.A N TYR 358.A O no hydrogen 2.927 N/A ASN 376.A ND2 GLN 409.A OE1 no hydrogen 3.317 N/A SER 377.A OG ALA 404.A O no hydrogen 2.851 N/A GLU 378.A N ALA 404.A O no hydrogen 2.851 N/A LEU 379.A N GLU 378.A OE2 no hydrogen 2.961 N/A PHE 380.A N TYR 402.A O no hydrogen 2.705 N/A THR 381.A OG1 SER 401.A OG no hydrogen 3.078 N/A HIS 382.A N TYR 400.A O no hydrogen 2.807 N/A HIS 382.A NE2 TYR 450.A OH no hydrogen 2.402 N/A THR 384.A N GLY 398.A O no hydrogen 3.219 N/A GLN 386.A N ARG 391.A O no hydrogen 3.164 N/A GLN 386.A NE2 ASP 388.A OD1 no hydrogen 2.376 N/A GLN 386.A NE2 ASP 388.A OD2 no hydrogen 3.249 N/A VAL 389.A N ASP 388.A OD1 no hydrogen 2.631 N/A GLN 390.A N GLN 386.A O no hydrogen 2.763 N/A GLN 390.A NE2 ASP 387.A O no hydrogen 2.679 N/A THR 393.A OG1 GLN 386.A OE1 no hydrogen 2.651 N/A VAL 396.A N THR 393.A O no hydrogen 3.160 N/A GLY 397.A N SER 394.A O no hydrogen 3.232 N/A TYR 400.A N HIS 382.A O no hydrogen 3.233 N/A SER 401.A N ASN 265.A O no hydrogen 2.991 N/A SER 401.A OG THR 381.A OG1 no hydrogen 3.078 N/A TYR 402.A N PHE 380.A O no hydrogen 2.762 N/A GLU 403.A N VAL 267.A O no hydrogen 2.820 N/A ALA 404.A N GLU 378.A O no hydrogen 2.807 N/A ILE 405.A N VAL 256.A O no hydrogen 2.810 N/A ILE 406.A N ASN 376.A O no hydrogen 3.506 N/A GLY 408.A N THR 252.A O no hydrogen 2.775 N/A GLN 409.A N THR 252.A OG1 no hydrogen 3.091 N/A PHE 411.A N ILE 250.A O no hydrogen 2.744 N/A VAL 412.A N THR 307.A O no hydrogen 3.150 N/A ALA 413.A N LEU 248.A O no hydrogen 2.761 N/A GLU 414.A N THR 304.A OG1 no hydrogen 3.028 N/A LEU 415.A N ILE 246.A O no hydrogen 2.918 N/A ARG 416.A N ILE 302.A O no hydrogen 2.858 N/A ARG 416.A NE ILE 569.A O no hydrogen 3.036 N/A ARG 416.A NH1 GLN 582.A OE1 no hydrogen 3.023 N/A ARG 416.A NH2 GLU 414.A OE1 no hydrogen 2.711 N/A LEU 417.A N HIS 244.A O no hydrogen 2.832 N/A ASP 419.A N GLN 240.A O no hydrogen 3.133 N/A ASP 419.A N PRO 242.A O no hydrogen 2.708 N/A SER 420.A OG GLU 238.A O no hydrogen 2.563 N/A LEU 421.A N PRO 418.A O no hydrogen 3.089 N/A VAL 422.A N PRO 418.A O no hydrogen 3.267 N/A LYS 423.A N ASP 419.A O no hydrogen 2.953 N/A LYS 423.A NZ ASP 419.A OD2 no hydrogen 2.994 N/A GLN 424.A N SER 420.A O no hydrogen 3.152 N/A ILE 425.A N LEU 421.A O no hydrogen 3.048 N/A THR 426.A N VAL 422.A O no hydrogen 2.768 N/A THR 426.A OG1 VAL 422.A O no hydrogen 2.637 N/A THR 426.A OG1 LYS 423.A O no hydrogen 3.214 N/A SER 427.A N LYS 423.A O no hydrogen 2.927 N/A SER 427.A OG LYS 423.A O no hydrogen 3.516 N/A SER 427.A OG GLN 424.A O no hydrogen 2.809 N/A LYS 428.A N ILE 425.A O no hydrogen 2.697 N/A LYS 428.A NZ TYR 289.A O no hydrogen 2.755 N/A ASN 429.A N ILE 425.A O no hydrogen 2.738 N/A ASN 429.A ND2 TYR 289.A OH no hydrogen 2.937 N/A ASN 431.A N ASN 429.A OD1 no hydrogen 2.761 N/A GLN 433.A NE2 SER 460.A OG no hydrogen 3.321 N/A ALA 434.A N ASN 431.A O no hydrogen 2.585 N/A GLN 435.A N TRP 432.A O no hydrogen 2.963 N/A LEU 436.A N GLN 433.A O no hydrogen 3.313 N/A ALA 438.A N VAL 455.A O no hydrogen 3.003 N/A ILE 440.A N ILE 453.A O no hydrogen 3.032 N/A ARG 441.A NH1 ASP 448.A O no hydrogen 3.021 N/A ARG 441.A NH2 LYS 446.A O no hydrogen 2.464 N/A ARG 441.A NH2 TYR 450.A O no hydrogen 2.516 N/A ILE 442.A N GLY 451.A O no hydrogen 3.031 N/A GLN 444.A N VAL 257.A O no hydrogen 3.007 N/A SER 445.A OG ASP 448.A OD1 no hydrogen 2.967 N/A SER 445.A OG ASP 448.A OD2 no hydrogen 3.446 N/A LYS 446.A NZ GLY 443.A O no hydrogen 3.317 N/A LYS 447.A NZ ASP 448.A OD2 no hydrogen 2.906 N/A ASP 448.A N SER 445.A O no hydrogen 3.409 N/A GLN 449.A N ASP 448.A OD1 no hydrogen 2.406 N/A TYR 450.A OH HIS 382.A NE2 no hydrogen 2.402 N/A GLY 451.A N PRO 255.A O no hydrogen 2.551 N/A LYS 452.A N SER 254.A OG no hydrogen 3.125 N/A LYS 452.A NZ GLU 155.A OE2 no hydrogen 3.325 N/A ILE 453.A N ILE 440.A O no hydrogen 2.953 N/A GLU 454.A N LYS 251.A O no hydrogen 2.809 N/A VAL 455.A N ALA 438.A O no hydrogen 2.791 N/A THR 456.A N THR 249.A O no hydrogen 2.890 N/A THR 456.A OG1 GLU 454.A OE2 no hydrogen 2.698 N/A SER 457.A OG GLY 458.A O no hydrogen 3.154 N/A GLY 458.A N PRO 247.A O no hydrogen 2.726 N/A ALA 461.A N ILE 245.A O no hydrogen 2.904 N/A LYS 471.A N ASN 469.A OD1 no hydrogen 2.583 N/A LEU 473.A N TYR 552.A O no hydrogen 2.732 N/A SER 474.A N ASN 586.A OD1 no hydrogen 3.255 N/A SER 474.A OG ASN 586.A OD1 no hydrogen 3.309 N/A ILE 475.A N LEU 550.A O no hydrogen 2.840 N/A TRP 476.A N GLY 584.A O no hydrogen 2.876 N/A TRP 476.A NE1 ALA 317.A O no hydrogen 2.889 N/A PHE 477.A N SER 548.A O no hydrogen 2.840 N/A SER 479.A N GLN 582.A O no hydrogen 3.025 N/A SER 479.A OG GLY 579.A O no hydrogen 2.770 N/A ILE 481.A N TRP 544.A O no hydrogen 3.182 N/A ARG 484.A NE ASP 574.A OD1 no hydrogen 3.316 N/A ARG 484.A NH1 ASP 574.A OD2 no hydrogen 3.429 N/A ARG 484.A NH2 LEU 488.A O no hydrogen 2.561 N/A GLY 485.A N ASN 489.A O no hydrogen 2.668 N/A LEU 488.A N GLY 485.A O no hydrogen 2.815 N/A THR 493.A N ASP 496.A OD2 no hydrogen 2.609 N/A THR 493.A OG1 ASP 496.A OD2 no hydrogen 2.924 N/A LEU 497.A N THR 493.A O no hydrogen 3.148 N/A LYS 498.A N PRO 494.A O no hydrogen 3.041 N/A LYS 498.A NZ GLU 511.A OE1 no hydrogen 3.094 N/A LYS 499.A N ASP 495.A O no hydrogen 3.228 N/A TYR 500.A N ASP 496.A O no hydrogen 2.859 N/A LEU 501.A N LEU 497.A O no hydrogen 3.116 N/A GLU 502.A N LYS 498.A O no hydrogen 2.771 N/A ASN 503.A N LYS 499.A O no hydrogen 2.702 N/A ALA 504.A N TYR 500.A O no hydrogen 2.742 N/A LEU 505.A N LEU 501.A O no hydrogen 2.710 N/A ILE 507.A N GLU 502.A O no hydrogen 3.207 N/A LYS 508.A N SER 556.A O no hydrogen 3.353 N/A LYS 510.A N ASP 553.A O no hydrogen 2.842 N/A GLU 511.A N GLU 511.A OE1 no hydrogen 2.723 N/A ARG 512.A NE ASP 514.A OD2 no hydrogen 3.364 N/A ARG 512.A NH1 ASP 514.A OD2 no hydrogen 3.220 N/A LEU 517.A N ASP 514.A O no hydrogen 3.027 N/A ILE 518.A N ARG 340.A O no hydrogen 3.256 N/A CYS 519.A SG ILE 551.A O no hydrogen 2.904 N/A ALA 521.A N CYS 549.A O no hydrogen 2.900 N/A GLN 525.A N GLY 543.A O no hydrogen 2.775 N/A GLN 525.A NE2 ASP 480.A OD2 no hydrogen 3.301 N/A ARG 526.A N GLN 525.A OE1 no hydrogen 3.200 N/A ARG 526.A NE GLU 528.A OE2 no hydrogen 3.175 N/A ARG 526.A NH1 GLU 528.A OE2 no hydrogen 3.281 N/A THR 527.A N LEU 541.A O no hydrogen 2.823 N/A SER 529.A OG TRP 530.A O no hydrogen 3.016 N/A GLN 531.A N LEU 536.A O no hydrogen 3.169 N/A GLY 535.A N GLN 531.A O no hydrogen 2.968 N/A ARG 538.A N SER 529.A O no hydrogen 2.688 N/A ARG 538.A NH1 GLU 578.A OE1 no hydrogen 2.746 N/A SER 540.A OG GLU 528.A OE2 no hydrogen 2.487 N/A LEU 541.A N THR 527.A O no hydrogen 3.196 N/A GLY 543.A N GLN 525.A O no hydrogen 2.990 N/A TRP 544.A N ILE 481.A O no hydrogen 3.078 N/A GLN 545.A N ARG 523.A O no hydrogen 3.012 N/A GLN 545.A NE2 SER 524.A O no hydrogen 3.200 N/A ALA 546.A N ASP 480.A OD1 no hydrogen 2.781 N/A GLY 547.A N PHE 477.A O no hydrogen 2.500 N/A SER 548.A N GLN 545.A O no hydrogen 3.233 N/A SER 548.A OG GLN 545.A O no hydrogen 2.614 N/A CYS 549.A N ALA 521.A O no hydrogen 3.368 N/A CYS 549.A SG GLY 547.A O no hydrogen 3.047 N/A LEU 550.A N ILE 475.A O no hydrogen 3.140 N/A ILE 551.A N CYS 519.A O no hydrogen 3.000 N/A TYR 552.A N LEU 473.A O no hydrogen 2.618 N/A ASP 553.A N LYS 510.A O no hydrogen 2.816 N/A ILE 554.A N LYS 471.A O no hydrogen 3.272 N/A GLU 555.A N LYS 508.A O no hydrogen 2.641 N/A THR 558.A OG1 ASN 470.A OD1 no hydrogen 2.781 N/A THR 558.A OG1 VAL 559.A O no hydrogen 3.384 N/A VAL 559.A N ASN 470.A OD1 no hydrogen 3.200 N/A ASN 560.A ND2 GLU 562.A OE1 no hydrogen 3.233 N/A GLU 562.A N ASN 560.A OD1 no hydrogen 2.938 N/A LYS 563.A N ASN 560.A O no hydrogen 2.989 N/A LYS 563.A NZ GLU 566.A OE2 no hydrogen 2.814 N/A LEU 564.A N ASN 560.A O no hydrogen 3.043 N/A GLN 565.A N ALA 561.A O no hydrogen 2.939 N/A GLU 566.A N GLU 562.A O no hydrogen 3.189 N/A LEU 567.A N LYS 563.A O no hydrogen 3.010 N/A MET 568.A N LEU 564.A O no hydrogen 2.972 N/A ILE 569.A N GLN 565.A O no hydrogen 3.094 N/A ILE 569.A N GLU 566.A O no hydrogen 3.199 N/A THR 570.A N GLU 566.A O no hydrogen 3.011 N/A THR 570.A OG1 GLU 566.A O no hydrogen 3.055 N/A GLY 571.A N LEU 567.A O no hydrogen 2.773 N/A ILE 572.A N GLY 581.A O no hydrogen 3.077 N/A ASP 574.A N LEU 482.A O no hydrogen 2.893 N/A ARG 575.A NE ASP 574.A OD2 no hydrogen 3.482 N/A CYS 576.A SG GLY 573.A O no hydrogen 3.180 N/A CYS 576.A SG TYR 580.A O no hydrogen 3.751 N/A THR 577.A OG1 LEU 301.A O no hydrogen 3.062 N/A GLU 578.A N ARG 575.A O no hydrogen 3.037 N/A GLY 579.A N CYS 576.A O no hydrogen 2.807 N/A GLY 581.A N ASP 480.A O no hydrogen 2.757 N/A GLY 584.A N TRP 476.A O no hydrogen 2.741 N/A ASN 586.A N SER 474.A O no hydrogen 2.956 N/A ASN 586.A ND2 THR 467.A O no hydrogen 2.476 N/A LEU 590.A N ASP 587.A O no hydrogen 2.975 N/A SER 591.A N PRO 588.A O no hydrogen 3.057 N/A ALA 592.A N PRO 588.A O no hydrogen 2.817 N/A LEU 594.A N GLU 343.A OE2 no hydrogen 2.884 N/A GLY 595.A N GLU 343.A OE1 no hydrogen 3.251 N/A GLY 595.A N GLU 343.A OE2 no hydrogen 3.187 N/A LEU 597.A N LEU 594.A O no hydrogen 2.826 N/A ALA 599.A N GLY 334.A O no hydrogen 3.156 N/A SER 601.A OG GLN 110.A O no hydrogen 3.265 N/A LEU 604.A N ILE 729.A O no hydrogen 2.813 N/A HIS 608.A N PRO 605.A O no hydrogen 3.118 N/A HIS 608.A NE2 ASP 102.A OD2 no hydrogen 2.415 N/A GLN 611.A N HIS 608.A O no hydrogen 3.071 N/A GLN 611.A NE2 THR 606.A O no hydrogen 3.247 N/A TYR 613.A OH ARG 147.A O no hydrogen 2.972 N/A ALA 614.A N THR 610.A O no hydrogen 2.831 N/A ARG 615.A N GLN 611.A O no hydrogen 3.167 N/A ARG 615.A NE GLU 618.A OE1 no hydrogen 3.107 N/A ARG 615.A NH1 GLN 736.A OE1 no hydrogen 2.680 N/A ARG 615.A NH2 GLN 736.A OE1 no hydrogen 2.735 N/A ILE 617.A N TYR 613.A O no hydrogen 3.380 N/A GLU 618.A N ALA 614.A O no hydrogen 2.946 N/A LYS 619.A N ARG 615.A O no hydrogen 3.266 N/A ALA 620.A N LEU 616.A O no hydrogen 3.403 N/A ALA 621.A N ILE 617.A O no hydrogen 3.036 N/A TRP 622.A N GLU 618.A O no hydrogen 2.767 N/A TRP 622.A NE1 LEU 727.A O no hydrogen 2.864 N/A ARG 623.A N LYS 619.A O no hydrogen 2.837 N/A ARG 623.A NE GLU 744.A OE1 no hydrogen 3.426 N/A ARG 623.A NE GLU 744.A OE2 no hydrogen 3.049 N/A ARG 623.A NH1 GLU 744.A OE1 no hydrogen 3.399 N/A GLU 624.A N ALA 620.A O no hydrogen 3.290 N/A ALA 625.A N ALA 621.A O no hydrogen 3.227 N/A ILE 626.A N TRP 622.A O no hydrogen 2.877 N/A GLN 627.A N ARG 623.A O no hydrogen 2.958 N/A ASN 628.A N GLU 624.A O no hydrogen 2.997 N/A LYS 629.A N ALA 625.A O no hydrogen 2.950 N/A LYS 629.A NZ LEU 720.A O no hydrogen 2.581 N/A ALA 630.A N ILE 626.A O no hydrogen 2.943 N/A LEU 631.A N GLN 627.A O no hydrogen 3.171 N/A ALA 632.A N ASN 628.A O no hydrogen 3.240 N/A LEU 633.A N LYS 629.A O no hydrogen 2.994 N/A ALA 634.A N ALA 630.A O no hydrogen 3.224 N/A SER 635.A N ALA 632.A O no hydrogen 3.101 N/A SER 635.A OG ALA 632.A O no hydrogen 2.695 N/A LYS 639.A N SER 636.A O no hydrogen 3.089 N/A LYS 639.A NZ GLU 642.A OE1 no hydrogen 3.054 N/A ARG 640.A N SER 636.A O no hydrogen 3.215 N/A ARG 640.A NH1 ALA 634.A O no hydrogen 3.133 N/A ARG 640.A NH1 ASP 760.A OD2 no hydrogen 2.647 N/A ARG 640.A NH2 ALA 634.A O no hydrogen 2.725 N/A GLU 641.A N ARG 637.A O no hydrogen 3.238 N/A GLU 642.A N ALA 638.A O no hydrogen 2.895 N/A ILE 643.A N LYS 639.A O no hydrogen 2.852 N/A LEU 644.A N ARG 640.A O no hydrogen 3.011 N/A GLY 645.A N GLU 641.A O no hydrogen 2.888 N/A LYS 647.A N GLN 654.A O no hydrogen 3.120 N/A MET 649.A N ASP 652.A O no hydrogen 2.967 N/A ASP 652.A N MET 649.A O no hydrogen 3.104 N/A SER 653.A OG PRO 655.A O no hydrogen 2.945 N/A SER 653.A OG HIS 757.A NE2 no hydrogen 2.563 N/A GLN 654.A N LYS 647.A O no hydrogen 2.849 N/A GLN 659.A N THR 656.A OG1 no hydrogen 3.291 N/A LEU 660.A N THR 656.A O no hydrogen 3.174 N/A GLY 661.A N MET 657.A O no hydrogen 2.831 N/A GLY 662.A N THR 658.A O no hydrogen 2.971 N/A PHE 663.A N GLN 659.A O no hydrogen 3.263 N/A ARG 664.A N LEU 660.A O no hydrogen 2.957 N/A SER 665.A N GLY 661.A O no hydrogen 3.043 N/A SER 665.A OG GLY 661.A O no hydrogen 3.013 N/A VAL 666.A N PHE 663.A O no hydrogen 2.896 N/A LEU 667.A N PHE 663.A O no hydrogen 3.026 N/A LYS 668.A N ARG 664.A O no hydrogen 3.138 N/A ARG 669.A N VAL 666.A O no hydrogen 2.895 N/A LEU 670.A N LEU 667.A O no hydrogen 2.970 N/A HIS 671.A N ARG 669.A O no hydrogen 2.869 N/A SER 672.A N ASN 675.A OD1 no hydrogen 3.151 N/A SER 672.A OG ASN 674.A OD1 no hydrogen 2.562 N/A ARG 673.A NH1 SER 739.A O no hydrogen 3.081 N/A ARG 673.A NH2 SER 739.A O no hydrogen 3.454 N/A ASN 675.A N SER 672.A O no hydrogen 2.868 N/A ARG 676.A N ARG 673.A O no hydrogen 2.854 N/A ARG 676.A NE VAL 710.A O no hydrogen 2.977 N/A ILE 678.A N ASN 675.A O no hydrogen 2.641 N/A THR 680.A N ARG 676.A O no hydrogen 3.035 N/A THR 680.A OG1 ARG 676.A O no hydrogen 3.141 N/A GLY 681.A N ASP 677.A O no hydrogen 2.864 N/A TYR 682.A N ILE 678.A O no hydrogen 3.140 N/A LEU 683.A N VAL 679.A O no hydrogen 3.179 N/A THR 684.A N THR 680.A O no hydrogen 3.093 N/A THR 684.A OG1 THR 680.A O no hydrogen 3.103 N/A THR 684.A OG1 GLY 681.A O no hydrogen 2.907 N/A ALA 685.A N GLY 681.A O no hydrogen 3.200 N/A LEU 686.A N TYR 682.A O no hydrogen 2.925 N/A GLU 687.A N LEU 683.A O no hydrogen 2.776 N/A GLN 688.A N THR 684.A O no hydrogen 2.919 N/A VAL 689.A N LEU 686.A O no hydrogen 3.104 N/A ARG 692.A N VAL 689.A O no hydrogen 2.955 N/A LYS 693.A N VAL 689.A O no hydrogen 2.962 N/A GLU 694.A N SER 690.A O no hydrogen 3.124 N/A LYS 695.A N ARG 692.A O no hydrogen 3.152 N/A TRP 696.A N LYS 693.A O no hydrogen 3.143 N/A TRP 696.A NE1 GLN 659.A OE1 no hydrogen 3.169 N/A SER 697.A N GLU 694.A O no hydrogen 3.275 N/A SER 697.A OG GLU 694.A O no hydrogen 2.784 N/A THR 699.A N TRP 696.A O no hydrogen 3.221 N/A THR 699.A OG1 TRP 696.A O no hydrogen 2.518 N/A SER 700.A N GLY 645.A O no hydrogen 3.039 N/A GLN 701.A N THR 699.A O no hydrogen 2.874 N/A GLY 702.A N THR 699.A OG1 no hydrogen 3.135 N/A THR 704.A OG1 GLN 701.A O no hydrogen 2.980 N/A LYS 705.A N GLN 701.A O no hydrogen 3.018 N/A LYS 705.A NZ GLU 641.A O no hydrogen 2.963 N/A LYS 705.A NZ GLU 642.A O no hydrogen 3.486 N/A LYS 705.A NZ SER 700.A O no hydrogen 2.898 N/A LYS 705.A NZ SER 700.A OG no hydrogen 2.849 N/A ILE 706.A N GLY 702.A O no hydrogen 2.957 N/A ARG 707.A N LEU 703.A O no hydrogen 3.055 N/A ASN 708.A N THR 704.A O no hydrogen 2.767 N/A LEU 709.A N LYS 705.A O no hydrogen 3.007 N/A VAL 710.A N ILE 706.A O no hydrogen 3.112 N/A THR 711.A N ARG 707.A O no hydrogen 3.031 N/A THR 711.A OG1 ARG 707.A O no hydrogen 2.616 N/A GLN 712.A N ASN 708.A O no hydrogen 2.783 N/A LEU 715.A N GLN 712.A O no hydrogen 3.159 N/A ASN 718.A N ASN 714.A O no hydrogen 3.445 N/A HIS 719.A N LEU 715.A O no hydrogen 3.165 N/A LEU 720.A N ILE 716.A O no hydrogen 2.994 N/A ASP 721.A N TRP 717.A O no hydrogen 2.911 N/A SER 725.A N ASP 723.A OD1 no hydrogen 2.990 N/A SER 725.A OG ASP 723.A OD1 no hydrogen 2.768 N/A LEU 727.A N PHE 724.A O no hydrogen 2.911 N/A THR 728.A OG1 GLU 618.A OE2 no hydrogen 2.383 N/A ILE 729.A N GLU 618.A OE2 no hydrogen 2.484 N/A THR 730.A N GLU 618.A OE2 no hydrogen 3.032 N/A THR 730.A OG1 GLU 618.A OE1 no hydrogen 2.898 N/A GLY 733.A N THR 730.A O no hydrogen 2.935 N/A GLN 736.A N ASN 732.A O no hydrogen 3.403 N/A LEU 737.A N GLY 733.A O no hydrogen 2.869 N/A LYS 738.A N VAL 734.A O no hydrogen 2.953 N/A SER 739.A N ASN 735.A O no hydrogen 3.189 N/A SER 739.A OG GLN 736.A O no hydrogen 2.792 N/A GLU 740.A N GLN 736.A O no hydrogen 2.947 N/A LEU 741.A N LEU 737.A O no hydrogen 2.805 N/A ALA 745.A N LEU 741.A O no hydrogen 2.926 N/A VAL 746.A N TRP 742.A O no hydrogen 3.026 N/A ARG 747.A N ALA 743.A O no hydrogen 3.026 N/A ARG 747.A NE LEU 670.A O no hydrogen 3.026 N/A THR 748.A N GLU 744.A O no hydrogen 2.839 N/A THR 748.A OG1 GLU 744.A O no hydrogen 2.771 N/A LEU 749.A N ALA 745.A O no hydrogen 2.916 N/A VAL 750.A N VAL 746.A O no hydrogen 3.061 N/A ASP 751.A N ARG 747.A O no hydrogen 3.005 N/A ALA 752.A N THR 748.A O no hydrogen 2.981 N/A ILE 753.A N LEU 749.A O no hydrogen 2.961 N/A ILE 754.A N VAL 750.A O no hydrogen 3.142 N/A ARG 755.A N ASP 751.A O no hydrogen 3.172 N/A ARG 755.A NH1 ASP 751.A OD2 no hydrogen 3.307 N/A GLY 756.A N ALA 752.A O no hydrogen 2.924 N/A HIS 757.A N ILE 753.A O no hydrogen 2.837 N/A HIS 757.A NE2 SER 653.A OG no hydrogen 2.563 N/A LYS 758.A N ILE 754.A O no hydrogen 3.029 N/A LYS 758.A NZ GLU 762.A OE2 no hydrogen 2.869 N/A ARG 759.A N ARG 755.A O no hydrogen 3.086 N/A ASP 760.A N GLY 756.A O no hydrogen 3.194 N/A ASP 760.A N HIS 757.A O no hydrogen 3.085 N/A LEU 761.A N HIS 757.A O no hydrogen 2.782 N/A GLU 762.A N LYS 758.A O no hydrogen 2.945 N/A LYS 763.A N ASP 760.A O no hydrogen 3.032 N/A LYS 763.A NZ ARG 759.A O no hydrogen 2.955 N/A LYS 763.A NZ ASP 760.A OD1 no hydrogen 3.091 N/A ALA 764.A N ASP 760.A O no hydrogen 3.170 N/A GLN 765.A N LEU 761.A O no hydrogen 2.857 N/A GLN 765.A NE2 GLU 766.A OE2 no hydrogen 2.902 N/A GLU 766.A N GLU 762.A O no hydrogen 2.930 N/A