Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dcm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N VAL 13.A O no hydrogen 2.872 N/A TRP 7.A NE1 GLN 368.A O no hydrogen 2.913 N/A MET 8.A N ASN 11.A O no hydrogen 2.674 N/A GLY 9.A N ALA 51.A O no hydrogen 2.878 N/A ASN 11.A N MET 8.A O no hydrogen 3.234 N/A ASN 11.A ND2 MET 8.A O no hydrogen 3.484 N/A TYR 12.A N ASN 23.A O no hydrogen 3.177 N/A VAL 13.A N GLN 6.A O no hydrogen 2.604 N/A ILE 15.A N VAL 3.A O no hydrogen 2.798 N/A GLU 16.A N ASP 19.A O no hydrogen 2.636 N/A ASP 19.A N GLU 16.A O no hydrogen 2.666 N/A LEU 20.A N PHE 29.A O no hydrogen 3.010 N/A PHE 22.A N THR 27.A O no hydrogen 2.970 N/A ASN 23.A ND2 TYR 12.A O no hydrogen 3.093 N/A LYS 24.A NZ ASP 10.A OD1 no hydrogen 2.931 N/A THR 27.A N PHE 22.A O no hydrogen 3.020 N/A THR 27.A OG1 ARG 28.A O no hydrogen 3.316 N/A SER 30.A N ASP 33.A OD1 no hydrogen 2.997 N/A SER 30.A OG ASP 18.A OD2 no hydrogen 2.848 N/A ALA 31.A N ASP 18.A O no hydrogen 2.819 N/A ALA 32.A N SER 30.A OG no hydrogen 2.871 N/A LEU 34.A N SER 30.A O no hydrogen 3.046 N/A ASN 35.A N ALA 31.A O no hydrogen 2.906 N/A ALA 36.A N ALA 32.A O no hydrogen 2.904 N/A LEU 37.A N LEU 34.A O no hydrogen 2.616 N/A MET 38.A N ASN 35.A O no hydrogen 2.928 N/A ARG 47.A N VAL 57.A O no hydrogen 3.168 N/A ARG 47.A NH1 LEU 87.A O no hydrogen 3.254 N/A THR 48.A OG1 GLN 6.A OE1 no hydrogen 2.716 N/A LEU 49.A N LEU 55.A O no hydrogen 3.040 N/A ASP 50.A N LEU 55.A O no hydrogen 3.149 N/A ARG 53.A N ASP 50.A OD1 no hydrogen 2.807 N/A GLY 54.A N ALA 51.A O no hydrogen 3.176 N/A VAL 56.A N PHE 67.A O no hydrogen 2.834 N/A VAL 57.A N ARG 47.A O no hydrogen 3.085 N/A LEU 58.A N VAL 65.A O no hydrogen 2.824 N/A LEU 64.A N PHE 78.A O no hydrogen 2.940 N/A VAL 65.A N LEU 58.A O no hydrogen 2.942 N/A GLY 66.A N TYR 76.A O no hydrogen 2.498 N/A PHE 67.A N VAL 56.A O no hydrogen 2.772 N/A ASP 68.A N LYS 73.A O no hydrogen 2.675 N/A MET 69.A N GLY 54.A O no hydrogen 3.285 N/A ALA 71.A N ASP 68.A OD1 no hydrogen 2.637 N/A ARG 72.A N MET 69.A O no hydrogen 3.387 N/A LYS 73.A N ASP 68.A O no hydrogen 3.065 N/A TYR 76.A N THR 75.A OG1 no hydrogen 2.522 N/A LEU 77.A N GLY 110.A O no hydrogen 2.890 N/A PHE 78.A N LEU 64.A O no hydrogen 2.887 N/A ASN 81.A N ASP 79.A OD1 no hydrogen 3.026 N/A SER 86.A N GLU 83.A OE2 no hydrogen 3.096 N/A SER 86.A OG GLU 83.A OE2 no hydrogen 2.944 N/A SER 86.A OG VAL 99.A O no hydrogen 3.521 N/A LEU 87.A N THR 84.A O no hydrogen 3.145 N/A ASP 88.A N ALA 97.A O no hydrogen 2.820 N/A SER 90.A N ARG 95.A O no hydrogen 2.597 N/A VAL 92.A N SER 90.A OG no hydrogen 2.979 N/A GLY 93.A N SER 90.A O no hydrogen 2.746 N/A VAL 96.A N ALA 107.A O no hydrogen 3.001 N/A ALA 97.A N ASP 88.A O no hydrogen 2.709 N/A TYR 98.A N TYR 105.A O no hydrogen 3.006 N/A TYR 98.A OH ASN 81.A OD1 no hydrogen 3.348 N/A VAL 99.A N SER 86.A OG no hydrogen 2.764 N/A ARG 100.A N ASN 103.A O no hydrogen 2.885 N/A ARG 100.A NE ASN 81.A O no hydrogen 3.214 N/A ARG 100.A NH2 ASN 81.A O no hydrogen 3.530 N/A ASN 103.A N ARG 100.A O no hydrogen 3.455 N/A LEU 104.A N THR 123.A OG1 no hydrogen 2.986 N/A TYR 105.A N TYR 98.A O no hydrogen 2.842 N/A ILE 106.A N ILE 120.A O no hydrogen 2.843 N/A ALA 107.A N VAL 96.A O no hydrogen 2.877 N/A GLY 109.A N ASP 94.A O no hydrogen 2.671 N/A GLY 110.A N LEU 77.A O no hydrogen 2.806 N/A LYS 111.A NZ TYR 76.A OH no hydrogen 3.393 N/A ILE 120.A N ILE 106.A O no hydrogen 3.054 N/A VAL 122.A N LEU 104.A O no hydrogen 2.790 N/A THR 123.A OG1 ASN 103.A OD1 no hydrogen 3.114 N/A GLY 126.A N ASN 103.A OD1 no hydrogen 2.958 N/A THR 127.A N LEU 130.A O no hydrogen 2.858 N/A THR 127.A OG1 ASP 125.A O no hydrogen 3.466 N/A LEU 130.A N THR 127.A O no hydrogen 3.179 N/A VAL 131.A N MET 161.A O no hydrogen 2.865 N/A TYR 132.A OH ASP 125.A OD2 no hydrogen 2.729 N/A GLY 133.A N TYR 159.A O no hydrogen 2.927 N/A HIS 137.A ND1 HIS 194.A NE2 no hydrogen 2.992 N/A GLN 138.A NE2 GLU 566.A OE1 no hydrogen 2.729 N/A ARG 139.A N VAL 136.A O no hydrogen 2.888 N/A GLU 140.A N HIS 137.A O no hydrogen 3.108 N/A ILE 143.A N GLU 140.A O no hydrogen 2.990 N/A LYS 145.A NZ ASP 88.A OD1 no hydrogen 2.844 N/A LYS 145.A NZ THR 147.A O no hydrogen 2.686 N/A THR 147.A OG1 ASP 88.A OD1 no hydrogen 2.591 N/A PHE 148.A N ALA 157.A O no hydrogen 2.663 N/A TRP 149.A NE1 ASP 88.A O no hydrogen 2.947 N/A SER 150.A N CYS 155.A O no hydrogen 2.926 N/A SER 150.A OG CYS 155.A O no hydrogen 3.229 N/A SER 150.A OG GLU 230.A OE2 no hydrogen 2.523 N/A LYS 152.A N GLU 230.A OE2 no hydrogen 2.802 N/A GLY 153.A N SER 150.A O no hydrogen 2.690 N/A SER 154.A N GLU 230.A OE2 no hydrogen 3.382 N/A SER 154.A OG GLU 230.A OE1 no hydrogen 2.558 N/A SER 154.A OG GLU 230.A OE2 no hydrogen 2.995 N/A CYS 155.A N SER 150.A OG no hydrogen 2.684 N/A CYS 155.A SG HIS 202.A ND1 no hydrogen 3.139 N/A LEU 156.A N TYR 201.A O no hydrogen 2.760 N/A ALA 157.A N PHE 148.A O no hydrogen 2.704 N/A PHE 158.A N GLY 199.A O no hydrogen 2.918 N/A TYR 159.A N GLY 146.A O no hydrogen 3.080 N/A TYR 159.A OH LEU 221.A O no hydrogen 2.588 N/A ARG 160.A N THR 197.A O no hydrogen 2.870 N/A ARG 160.A NH1 TYR 132.A OH no hydrogen 3.162 N/A MET 161.A N VAL 131.A O no hydrogen 2.754 N/A ASP 162.A N HIS 195.A O no hydrogen 2.868 N/A GLN 163.A N THR 129.A O no hydrogen 2.915 N/A GLN 163.A NE2 GLU 128.A O no hydrogen 2.453 N/A SER 164.A N ASP 162.A OD1 no hydrogen 3.169 N/A SER 164.A OG ASP 162.A OD1 no hydrogen 2.707 N/A VAL 166.A N GLN 163.A O no hydrogen 3.053 N/A THR 169.A N LEU 184.A O no hydrogen 2.777 N/A ILE 171.A N LYS 182.A O no hydrogen 2.891 N/A ASP 173.A N GLU 180.A O no hydrogen 2.725 N/A HIS 175.A N ASP 173.A OD1 no hydrogen 3.191 N/A HIS 175.A NE2 SER 637.A OG no hydrogen 2.772 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.719 N/A GLU 180.A N ASP 173.A O no hydrogen 2.993 N/A LYS 182.A N ILE 171.A O no hydrogen 3.205 N/A LEU 184.A N THR 169.A O no hydrogen 2.646 N/A TYR 185.A OH GLU 128.A OE2 no hydrogen 2.756 N/A TYR 186.A N LEU 184.A O no hydrogen 2.747 N/A TYR 186.A OH VAL 610.A O no hydrogen 3.005 N/A ALA 189.A N TYR 565.A O no hydrogen 2.719 N/A GLY 190.A N GLU 571.A OE1 no hydrogen 2.905 N/A THR 191.A N MET 188.A O no hydrogen 2.890 N/A THR 191.A OG1 MET 188.A O no hydrogen 2.605 N/A SER 193.A N GLU 218.A OE2 no hydrogen 2.700 N/A SER 193.A OG HIS 194.A O no hydrogen 3.464 N/A HIS 194.A NE2 HIS 137.A ND1 no hydrogen 2.992 N/A HIS 195.A N ASP 162.A O no hydrogen 2.896 N/A THR 197.A N ARG 160.A O no hydrogen 3.039 N/A GLY 199.A N PHE 158.A O no hydrogen 2.806 N/A ILE 200.A N VAL 209.A O no hydrogen 2.622 N/A TYR 201.A N LEU 156.A O no hydrogen 2.853 N/A HIS 202.A N LYS 207.A O no hydrogen 2.972 N/A HIS 202.A NE2 ALA 252.A O no hydrogen 2.831 N/A LEU 203.A N SER 154.A O no hydrogen 3.110 N/A GLY 206.A N HIS 202.A O no hydrogen 2.570 N/A LYS 207.A N THR 205.A OG1 no hydrogen 3.194 N/A LYS 207.A NZ GLU 253.A O no hydrogen 3.547 N/A VAL 209.A N ILE 200.A O no hydrogen 2.973 N/A LEU 211.A N VAL 198.A O no hydrogen 2.841 N/A GLN 212.A N GLY 255.A O no hydrogen 2.910 N/A GLN 212.A NE2 THR 254.A O no hydrogen 3.555 N/A LYS 217.A NZ GLU 215.A OE1 no hydrogen 2.591 N/A LYS 219.A N PRO 216.A O no hydrogen 3.157 N/A LYS 219.A NZ THR 213.A O no hydrogen 2.361 N/A PHE 220.A N VAL 238.A O no hydrogen 2.872 N/A LEU 221.A N HIS 137.A NE2 no hydrogen 3.038 N/A THR 222.A N ALA 236.A O no hydrogen 2.918 N/A THR 222.A OG1 ALA 236.A O no hydrogen 2.822 N/A SER 225.A N TYR 234.A O no hydrogen 2.957 N/A SER 225.A OG ASN 223.A O no hydrogen 2.894 N/A TRP 226.A NE1 PHE 148.A O no hydrogen 3.075 N/A SER 227.A N ILE 232.A O no hydrogen 3.062 N/A SER 227.A OG ILE 232.A O no hydrogen 3.153 N/A ASP 229.A N ASN 283.A OD1 no hydrogen 3.091 N/A GLU 230.A N SER 227.A O no hydrogen 2.650 N/A ILE 232.A N SER 227.A OG no hydrogen 3.079 N/A LEU 233.A N TYR 250.A O no hydrogen 2.839 N/A TYR 234.A N SER 225.A O no hydrogen 2.821 N/A VAL 235.A N ASN 248.A O no hydrogen 2.850 N/A ALA 236.A N THR 222.A O no hydrogen 2.758 N/A GLU 237.A N LYS 246.A O no hydrogen 2.714 N/A VAL 238.A N PHE 220.A O no hydrogen 2.935 N/A ASN 239.A N GLU 244.A O no hydrogen 3.337 N/A ASN 239.A ND2 ASN 243.A OD1 no hydrogen 2.691 N/A ARG 240.A NE GLU 571.A OE1 no hydrogen 3.356 N/A ARG 240.A NE GLU 571.A OE2 no hydrogen 2.843 N/A ARG 240.A NH1 GLU 218.A OE2 no hydrogen 3.107 N/A ARG 240.A NH2 THR 191.A O no hydrogen 2.788 N/A ARG 240.A NH2 GLU 571.A OE1 no hydrogen 3.139 N/A GLN 242.A N ASN 239.A O no hydrogen 2.853 N/A GLN 242.A NE2 MET 568.A O no hydrogen 2.779 N/A ASN 243.A N ASN 239.A OD1 no hydrogen 2.960 N/A GLU 244.A N ASN 239.A OD1 no hydrogen 3.211 N/A CYS 245.A N GLU 264.A O no hydrogen 2.909 N/A CYS 245.A SG GLU 237.A O no hydrogen 3.908 N/A LYS 246.A N GLU 237.A O no hydrogen 2.821 N/A VAL 247.A N PHE 262.A O no hydrogen 3.023 N/A ASN 248.A N VAL 235.A O no hydrogen 2.733 N/A ASN 248.A ND2 GLU 237.A OE2 no hydrogen 2.599 N/A ALA 249.A N ARG 259.A O no hydrogen 2.820 N/A TYR 250.A N LEU 233.A O no hydrogen 3.122 N/A TYR 250.A OH GLU 237.A OE2 no hydrogen 2.592 N/A ASP 251.A N ARG 256.A O no hydrogen 2.948 N/A ALA 252.A N ASN 231.A O no hydrogen 2.953 N/A GLU 253.A N ASP 251.A OD1 no hydrogen 2.608 N/A THR 254.A N ASP 251.A OD1 no hydrogen 2.965 N/A GLY 255.A N ASP 251.A O no hydrogen 2.656 N/A ARG 256.A N THR 254.A OG1 no hydrogen 3.217 N/A VAL 258.A N ALA 249.A O no hydrogen 2.861 N/A ARG 259.A N ALA 249.A O no hydrogen 3.424 N/A ARG 259.A NE THR 303.A O no hydrogen 3.456 N/A ARG 259.A NH2 THR 303.A O no hydrogen 3.253 N/A THR 260.A OG1 ASN 248.A OD1 no hydrogen 2.835 N/A LEU 261.A N VAL 247.A O no hydrogen 3.024 N/A GLU 264.A N CYS 245.A O no hydrogen 3.045 N/A HIS 268.A N ASP 266.A OD1 no hydrogen 2.591 N/A HIS 268.A ND1 HIS 498.A ND1 no hydrogen 2.882 N/A TYR 269.A N ASP 266.A OD1 no hydrogen 2.745 N/A TYR 269.A OH GLU 494.A OE2 no hydrogen 2.412 N/A VAL 270.A N GLN 242.A O no hydrogen 2.805 N/A LEU 276.A N SER 225.A OG no hydrogen 2.798 N/A THR 277.A N ILE 287.A O no hydrogen 3.124 N/A LEU 279.A N GLN 285.A O no hydrogen 3.029 N/A SER 282.A N LEU 279.A O no hydrogen 2.910 N/A ASN 284.A N SER 282.A OG no hydrogen 3.208 N/A GLN 285.A N SER 282.A OG no hydrogen 3.181 N/A PHE 286.A N TYR 301.A O no hydrogen 3.146 N/A ILE 287.A N THR 277.A O no hydrogen 2.772 N/A TRP 288.A N TYR 299.A O no hydrogen 2.816 N/A TRP 288.A NE1 GLU 264.A OE1 no hydrogen 3.174 N/A SER 290.A N HIS 297.A O no hydrogen 3.011 N/A SER 290.A OG GLU 264.A OE1 no hydrogen 3.118 N/A SER 290.A OG GLU 264.A OE2 no hydrogen 3.111 N/A ARG 291.A NE GLU 317.A OE2 no hydrogen 2.662 N/A ARG 291.A NH1 GLU 494.A OE1 no hydrogen 2.710 N/A ARG 291.A NH2 GLU 317.A OE1 no hydrogen 3.240 N/A ARG 291.A NH2 GLU 317.A OE2 no hydrogen 3.008 N/A ARG 292.A N SER 290.A OG no hydrogen 3.299 N/A ARG 292.A NE SER 290.A OG no hydrogen 3.148 N/A ARG 292.A NH1 TYR 301.A OH no hydrogen 3.012 N/A ARG 292.A NH2 GLU 264.A OE1 no hydrogen 2.967 N/A ARG 292.A NH2 TYR 301.A OH no hydrogen 2.922 N/A GLY 294.A N ARG 291.A O no hydrogen 3.041 N/A TRP 295.A N ASP 293.A OD2 no hydrogen 3.147 N/A ASN 296.A N GLU 317.A OE2 no hydrogen 3.278 N/A ASN 296.A ND2 GLN 289.A OE1 no hydrogen 3.057 N/A ASN 296.A ND2 VAL 318.A O no hydrogen 2.918 N/A HIS 297.A N SER 290.A O no hydrogen 2.690 N/A HIS 297.A ND1 THR 312.A OG1 no hydrogen 2.977 N/A HIS 297.A NE2 GLY 314.A O no hydrogen 2.857 N/A LEU 298.A N THR 312.A OG1 no hydrogen 3.028 N/A TYR 299.A N TRP 288.A O no hydrogen 2.801 N/A LEU 300.A N ARG 309.A O no hydrogen 2.790 N/A TYR 301.A N PHE 286.A O no hydrogen 2.944 N/A ASP 302.A N ARG 306.A O no hydrogen 3.030 N/A THR 303.A N ASN 284.A O no hydrogen 2.796 N/A THR 303.A OG1 ASN 284.A O no hydrogen 3.405 N/A THR 304.A N ASP 302.A OD2 no hydrogen 2.983 N/A THR 304.A OG1 ASP 302.A O no hydrogen 3.567 N/A GLY 305.A N ASP 302.A O no hydrogen 2.611 N/A ARG 306.A N THR 304.A OG1 no hydrogen 3.215 N/A ILE 308.A N LEU 300.A O no hydrogen 2.827 N/A ARG 309.A N LEU 300.A O no hydrogen 3.383 N/A ARG 309.A NH1 ILE 350.A O no hydrogen 2.417 N/A GLN 310.A NE2 ASP 293.A OD1 no hydrogen 3.282 N/A GLN 310.A NE2 THR 312.A O no hydrogen 2.812 N/A THR 312.A OG1 HIS 297.A ND1 no hydrogen 2.977 N/A LYS 313.A NZ GLN 310.A O no hydrogen 3.522 N/A GLU 317.A N THR 336.A OG1 no hydrogen 2.864 N/A VAL 318.A N ASN 296.A O no hydrogen 2.970 N/A THR 319.A N GLU 334.A O no hydrogen 2.648 N/A THR 319.A OG1 GLU 334.A OE1 no hydrogen 2.729 N/A ASN 320.A N GLU 334.A O no hydrogen 3.256 N/A ALA 322.A N TYR 332.A O no hydrogen 3.067 N/A GLY 323.A N TYR 332.A O no hydrogen 3.309 N/A GLY 328.A N ASP 325.A OD1 no hydrogen 2.728 N/A THR 329.A N ASP 325.A OD1 no hydrogen 2.731 N/A THR 329.A OG1 ASP 325.A OD2 no hydrogen 2.814 N/A ARG 330.A N ASP 325.A OD1 no hydrogen 3.146 N/A LEU 331.A N ILE 348.A O no hydrogen 2.829 N/A TYR 332.A N GLY 323.A O no hydrogen 2.636 N/A PHE 333.A N TYR 346.A O no hydrogen 3.483 N/A GLU 334.A N ASN 320.A O no hydrogen 2.712 N/A SER 335.A N HIS 344.A O no hydrogen 3.158 N/A THR 336.A N GLU 317.A O no hydrogen 3.031 N/A THR 336.A OG1 GLU 317.A O no hydrogen 3.414 N/A GLU 337.A N SER 335.A OG no hydrogen 3.243 N/A LEU 341.A N SER 339.A OG no hydrogen 3.179 N/A GLU 342.A N SER 339.A O no hydrogen 2.882 N/A ARG 343.A N GLY 363.A O no hydrogen 3.268 N/A ARG 343.A NE GLU 342.A O no hydrogen 2.912 N/A ARG 343.A NH2 PRO 340.A O no hydrogen 3.550 N/A HIS 344.A N SER 335.A O no hydrogen 3.322 N/A HIS 344.A ND1 ASP 357.A OD1 no hydrogen 2.587 N/A HIS 344.A NE2 GLU 342.A OE1 no hydrogen 2.724 N/A PHE 345.A N THR 359.A OG1 no hydrogen 2.691 N/A TYR 346.A N PHE 333.A O no hydrogen 2.519 N/A ILE 348.A N LEU 331.A O no hydrogen 2.938 N/A ILE 350.A N THR 329.A O no hydrogen 2.630 N/A LYS 351.A N ASP 349.A OD1 no hydrogen 2.750 N/A GLY 352.A N ASP 349.A O no hydrogen 2.608 N/A THR 355.A OG1 GLU 337.A OE1 no hydrogen 3.131 N/A THR 355.A OG1 GLU 337.A OE2 no hydrogen 2.724 N/A LYS 356.A N CYS 347.A O no hydrogen 2.938 N/A LEU 358.A N PHE 345.A O no hydrogen 2.874 N/A THR 359.A N ASP 357.A OD2 no hydrogen 2.619 N/A SER 362.A OG GLU 342.A OE2 no hydrogen 3.113 N/A GLY 363.A N GLU 342.A OE1 no hydrogen 2.947 N/A MET 364.A N GLN 381.A O no hydrogen 3.022 N/A HIS 365.A N ARG 343.A O no hydrogen 2.873 N/A HIS 365.A ND1 ASP 378.A OD2 no hydrogen 2.763 N/A HIS 365.A NE2 GLU 361.A O no hydrogen 2.832 N/A ARG 366.A N ILE 379.A O no hydrogen 3.117 N/A THR 367.A OG1 ASP 378.A OD1 no hydrogen 2.815 N/A GLN 368.A N ILE 377.A O no hydrogen 2.977 N/A SER 370.A N ALA 375.A O no hydrogen 3.492 N/A SER 370.A OG ASP 372.A OD2 no hydrogen 3.048 N/A SER 370.A OG ALA 375.A O no hydrogen 2.971 N/A GLY 373.A N SER 370.A O no hydrogen 2.978 N/A SER 374.A N ASP 372.A OD2 no hydrogen 3.241 N/A SER 374.A OG ASP 372.A OD1 no hydrogen 2.880 N/A SER 374.A OG ASP 372.A OD2 no hydrogen 2.976 N/A ILE 377.A N GLN 368.A O no hydrogen 3.177 N/A ASP 378.A N THR 390.A O no hydrogen 3.168 N/A ILE 379.A N ARG 366.A O no hydrogen 3.251 N/A PHE 380.A N LYS 388.A O no hydrogen 3.363 N/A GLN 381.A N MET 364.A O no hydrogen 3.245 N/A SER 382.A N VAL 385.A O no hydrogen 2.698 N/A SER 382.A OG THR 384.A OG1 no hydrogen 3.276 N/A THR 384.A OG1 SER 382.A OG no hydrogen 3.276 N/A VAL 385.A N SER 382.A OG no hydrogen 2.926 N/A ARG 387.A NE PRO 386.A O no hydrogen 3.112 N/A ARG 387.A NH2 PRO 386.A O no hydrogen 3.211 N/A VAL 389.A N LEU 402.A O no hydrogen 2.935 N/A THR 390.A OG1 LYS 388.A O no hydrogen 3.170 N/A THR 392.A N ILE 376.A O no hydrogen 2.709 N/A THR 392.A OG1 THR 390.A O no hydrogen 3.291 N/A THR 392.A OG1 SER 398.A OG no hydrogen 3.081 N/A ASN 393.A ND2 ALA 25.A O no hydrogen 2.816 N/A ILE 394.A N SER 374.A O no hydrogen 3.103 N/A SER 398.A OG THR 392.A OG1 no hydrogen 3.081 N/A LEU 401.A N VAL 389.A O no hydrogen 2.866 N/A ARG 412.A N LEU 429.A O no hydrogen 2.673 N/A ARG 412.A NE GLU 410.A OE1 no hydrogen 3.201 N/A ARG 412.A NE GLU 410.A OE2 no hydrogen 2.647 N/A ARG 412.A NH2 GLU 410.A OE1 no hydrogen 3.057 N/A GLY 414.A N TYR 427.A O no hydrogen 3.222 N/A ILE 416.A N LEU 425.A O no hydrogen 2.962 N/A ALA 418.A N THR 423.A O no hydrogen 2.757 N/A ALA 419.A N ASP 508.A OD1 no hydrogen 2.953 N/A GLY 421.A N ALA 418.A O no hydrogen 2.917 N/A GLN 422.A N ASP 420.A OD1 no hydrogen 2.934 N/A THR 423.A N ASP 420.A OD1 no hydrogen 2.779 N/A THR 423.A OG1 ASP 420.A OD1 no hydrogen 3.498 N/A THR 423.A OG1 ASP 420.A OD2 no hydrogen 2.476 N/A LEU 425.A N ILE 416.A O no hydrogen 2.717 N/A TYR 427.A N GLY 414.A O no hydrogen 3.106 N/A LYS 428.A N THR 480.A O no hydrogen 3.094 N/A LYS 428.A NZ THR 457.A O no hydrogen 3.414 N/A LYS 428.A NZ SER 463.A OG no hydrogen 3.024 N/A LEU 429.A N ARG 412.A O no hydrogen 2.535 N/A THR 430.A N VAL 478.A O no hydrogen 2.811 N/A THR 430.A OG1 ASP 468.A OD2 no hydrogen 3.075 N/A MET 431.A N GLU 410.A O no hydrogen 2.800 N/A LEU 433.A N ALA 472.A O no hydrogen 2.919 N/A ALA 438.A N ASP 436.A OD1 no hydrogen 2.847 N/A LYS 439.A N ASP 436.A O no hydrogen 2.778 N/A LYS 440.A NZ SER 520.A O no hydrogen 2.951 N/A LYS 440.A NZ VAL 522.A O no hydrogen 3.252 N/A TYR 441.A N TRP 521.A O no hydrogen 2.681 N/A VAL 443.A N ARG 526.A O no hydrogen 2.980 N/A ILE 444.A N ALA 477.A O no hydrogen 2.655 N/A VAL 445.A N GLY 528.A O no hydrogen 2.875 N/A TYR 446.A N PHE 479.A O no hydrogen 2.802 N/A VAL 447.A N HIS 530.A O no hydrogen 2.680 N/A HIS 452.A NE2 GLU 271.A OE2 no hydrogen 2.839 N/A GLN 454.A NE2 PRO 340.A O no hydrogen 3.125 N/A LEU 455.A N ASP 482.A OD1 no hydrogen 2.830 N/A VAL 456.A N ASP 482.A OD2 no hydrogen 2.772 N/A THR 457.A OG1 THR 459.A OG1 no hydrogen 2.829 N/A LYS 458.A N LEU 341.A O no hydrogen 2.826 N/A LYS 458.A NZ SER 362.A OG no hydrogen 3.094 N/A THR 459.A OG1 THR 457.A O no hydrogen 3.390 N/A SER 462.A OG ASP 468.A OD1 no hydrogen 2.558 N/A SER 463.A OG LEU 455.A O no hydrogen 2.756 N/A VAL 464.A N SER 462.A OG no hydrogen 2.971 N/A GLY 466.A N SER 462.A OG no hydrogen 3.005 N/A TYR 470.A N GLY 466.A O no hydrogen 2.980 N/A TYR 470.A OH GLU 652.A OE1 no hydrogen 2.763 N/A MET 471.A N TRP 467.A O no hydrogen 2.874 N/A ALA 472.A N ASP 468.A O no hydrogen 2.880 N/A GLN 473.A N ILE 469.A O no hydrogen 3.342 N/A GLN 473.A N TYR 470.A O no hydrogen 3.027 N/A LYS 474.A N MET 471.A O no hydrogen 2.747 N/A LYS 474.A NZ TYR 470.A OH no hydrogen 2.740 N/A GLY 475.A N ALA 472.A O no hydrogen 3.296 N/A TYR 476.A N MET 471.A O no hydrogen 3.358 N/A TYR 476.A OH LEU 662.A OXT no hydrogen 2.681 N/A ALA 477.A N PRO 442.A O no hydrogen 3.073 N/A VAL 478.A N THR 430.A O no hydrogen 3.049 N/A PHE 479.A N ILE 444.A O no hydrogen 2.970 N/A THR 480.A N LYS 428.A O no hydrogen 3.181 N/A THR 480.A OG1 TYR 446.A O no hydrogen 2.919 N/A ASP 482.A N TYR 426.A O no hydrogen 3.090 N/A ARG 484.A N ASP 508.A OD2 no hydrogen 2.921 N/A ARG 484.A NE ASP 508.A OD1 no hydrogen 3.379 N/A ARG 484.A NE ASP 508.A OD2 no hydrogen 3.029 N/A ARG 484.A NH2 ASP 508.A OD1 no hydrogen 2.790 N/A SER 486.A N SER 483.A O no hydrogen 2.973 N/A SER 486.A OG SER 483.A O no hydrogen 2.830 N/A ALA 487.A N ALA 453.A O no hydrogen 2.775 N/A ASN 488.A ND2 GLN 454.A OE1 no hydrogen 2.737 N/A ARG 489.A NH1 PRO 424.A O no hydrogen 2.911 N/A ARG 489.A NH2 PRO 424.A O no hydrogen 2.847 N/A GLY 490.A N GLU 317.A OE1 no hydrogen 2.981 N/A ALA 491.A N GLY 294.A O no hydrogen 2.914 N/A GLU 494.A N GLY 490.A O no hydrogen 3.249 N/A GLU 494.A N ALA 491.A O no hydrogen 3.181 N/A GLN 495.A N ALA 491.A O no hydrogen 2.761 N/A GLN 495.A NE2 ASP 266.A OD1 no hydrogen 3.537 N/A GLN 495.A NE2 TYR 269.A O no hydrogen 3.650 N/A ILE 497.A N GLU 494.A O no hydrogen 3.343 N/A HIS 498.A N GLN 495.A O no hydrogen 2.863 N/A HIS 498.A ND1 HIS 268.A ND1 no hydrogen 2.882 N/A ARG 499.A N TYR 573.A O no hydrogen 2.628 N/A ARG 499.A NE ASP 575.A OD2 no hydrogen 3.171 N/A ARG 500.A N ILE 497.A O no hydrogen 2.763 N/A ARG 500.A NH2 VAL 496.A O no hydrogen 3.533 N/A GLY 502.A N GLU 505.A OE1 no hydrogen 2.589 N/A GLN 503.A N ARG 500.A O no hydrogen 3.158 N/A GLU 505.A N GLU 505.A OE2 no hydrogen 2.618 N/A MET 506.A N GLY 502.A O no hydrogen 3.101 N/A ALA 507.A N GLN 503.A O no hydrogen 3.089 N/A ASP 508.A N THR 504.A O no hydrogen 2.759 N/A GLN 509.A N GLU 505.A O no hydrogen 2.860 N/A GLN 509.A NE2 VAL 481.A O no hydrogen 3.125 N/A GLN 509.A NE2 SER 483.A OG no hydrogen 3.141 N/A MET 510.A N MET 506.A O no hydrogen 2.816 N/A CYS 511.A N ASP 508.A O no hydrogen 2.911 N/A CYS 511.A SG ALA 507.A O no hydrogen 3.597 N/A GLY 512.A N ASP 508.A O no hydrogen 3.293 N/A GLY 512.A N GLN 509.A O no hydrogen 2.980 N/A VAL 513.A N GLN 509.A O no hydrogen 3.163 N/A VAL 513.A N MET 510.A O no hydrogen 3.139 N/A ASP 514.A N MET 510.A O no hydrogen 2.976 N/A PHE 515.A N CYS 511.A O no hydrogen 3.259 N/A LEU 516.A N GLY 512.A O no hydrogen 3.233 N/A LYS 517.A N VAL 513.A O no hydrogen 2.784 N/A SER 518.A N ASP 514.A O no hydrogen 3.061 N/A SER 518.A N PHE 515.A O no hydrogen 3.002 N/A SER 518.A OG ASP 514.A O no hydrogen 2.783 N/A GLN 519.A N LEU 516.A O no hydrogen 3.062 N/A GLN 519.A NE2 PHE 515.A O no hydrogen 3.580 N/A TRP 521.A NE1 GLN 519.A OE1 no hydrogen 3.244 N/A VAL 522.A N GLN 519.A O no hydrogen 3.366 N/A ASP 523.A N TYR 441.A O no hydrogen 2.933 N/A ASP 525.A N ASP 523.A OD1 no hydrogen 2.847 N/A ARG 526.A N ASP 523.A O no hydrogen 2.833 N/A ARG 526.A NE LEU 662.A O no hydrogen 3.018 N/A ARG 526.A NH2 LEU 662.A OXT no hydrogen 2.837 N/A GLY 528.A N VAL 443.A O no hydrogen 2.693 N/A VAL 529.A N VAL 552.A O no hydrogen 3.027 N/A HIS 530.A N VAL 445.A O no hydrogen 2.826 N/A HIS 530.A ND1 VAL 554.A O no hydrogen 2.847 N/A GLY 531.A N VAL 554.A O no hydrogen 3.473 N/A TRP 532.A NE1 HIS 640.A O no hydrogen 2.858 N/A ALA 533.A N GLY 556.A O no hydrogen 2.946 N/A TYR 534.A OH GLU 505.A OE1 no hydrogen 2.785 N/A GLY 535.A N TRP 532.A O no hydrogen 2.712 N/A GLY 536.A N ALA 533.A O no hydrogen 2.798 N/A PHE 537.A N ALA 533.A O no hydrogen 3.069 N/A MET 538.A N TYR 534.A O no hydrogen 3.042 N/A THR 539.A N GLY 535.A O no hydrogen 2.908 N/A THR 539.A OG1 GLY 535.A O no hydrogen 2.750 N/A THR 540.A N GLY 536.A O no hydrogen 2.982 N/A THR 540.A OG1 GLY 536.A O no hydrogen 3.150 N/A ASN 541.A N PHE 537.A O no hydrogen 2.811 N/A LEU 542.A N MET 538.A O no hydrogen 2.719 N/A MET 543.A N THR 539.A O no hydrogen 3.170 N/A LEU 544.A N THR 540.A O no hydrogen 2.984 N/A THR 545.A N ASN 541.A O no hydrogen 2.801 N/A THR 545.A OG1 ASN 541.A O no hydrogen 2.885 N/A THR 545.A OG1 ASN 541.A OD1 no hydrogen 3.310 N/A HIS 546.A N LEU 542.A O no hydrogen 2.624 N/A VAL 549.A N HIS 546.A O no hydrogen 3.022 N/A PHE 550.A N HIS 546.A O no hydrogen 3.244 N/A LYS 551.A N ILE 527.A O no hydrogen 2.938 N/A LYS 551.A NZ ASP 525.A O no hydrogen 3.369 N/A LYS 551.A NZ ASP 548.A O no hydrogen 3.078 N/A GLY 553.A N ARG 599.A O no hydrogen 2.900 N/A VAL 554.A N VAL 529.A O no hydrogen 3.166 N/A ALA 555.A N MET 601.A O no hydrogen 2.654 N/A GLY 556.A N GLY 531.A O no hydrogen 3.128 N/A GLY 557.A N ILE 603.A O no hydrogen 2.658 N/A ILE 560.A N HIS 615.A ND1 no hydrogen 3.047 N/A ASP 561.A N HIS 615.A ND1 no hydrogen 3.503 N/A ASN 563.A N ASP 561.A OD2 no hydrogen 2.966 N/A ASN 563.A ND2 ASN 563.A O no hydrogen 2.711 N/A ARG 564.A N ASP 561.A O no hydrogen 2.844 N/A TYR 565.A N TRP 562.A O no hydrogen 3.124 N/A GLU 566.A N TYR 186.A OH no hydrogen 2.886 N/A ILE 567.A N PRO 187.A O no hydrogen 2.838 N/A TYR 569.A N GLU 566.A OE2 no hydrogen 3.360 N/A GLU 571.A N ILE 567.A O no hydrogen 2.838 N/A ARG 572.A N TYR 569.A O no hydrogen 2.949 N/A ARG 572.A NE GLN 242.A OE1 no hydrogen 3.223 N/A ARG 572.A NH1 GLU 140.A OE1 no hydrogen 2.689 N/A ARG 572.A NH1 TYR 573.A OH no hydrogen 3.206 N/A ARG 572.A NH2 GLU 140.A OE1 no hydrogen 2.774 N/A PHE 574.A N GLY 570.A O no hydrogen 2.907 N/A ASP 575.A N GLU 571.A O no hydrogen 2.693 N/A ALA 576.A N GLU 579.A OE1 no hydrogen 2.860 N/A GLN 578.A N GLN 578.A OE1 no hydrogen 2.570 N/A GLN 578.A NE2 GLY 190.A O no hydrogen 3.109 N/A GLU 579.A N ALA 576.A O no hydrogen 3.190 N/A ASN 580.A N PRO 577.A O no hydrogen 3.431 N/A ASN 580.A ND2 ARG 499.A O no hydrogen 2.955 N/A ASN 580.A ND2 PHE 574.A O no hydrogen 3.018 N/A GLY 583.A N ASN 580.A OD1 no hydrogen 3.039 N/A TYR 584.A N ASN 580.A O no hydrogen 3.251 N/A TYR 584.A OH ASP 575.A O no hydrogen 2.628 N/A ASP 585.A N PRO 581.A O no hydrogen 2.783 N/A ALA 586.A N GLU 582.A O no hydrogen 2.969 N/A ALA 587.A N GLY 583.A O no hydrogen 3.283 N/A ALA 587.A N TYR 584.A O no hydrogen 3.140 N/A ASN 588.A N ASP 585.A O no hydrogen 3.269 N/A LEU 589.A N ILE 560.A O no hydrogen 3.004 N/A LEU 590.A N ASN 588.A OD1 no hydrogen 2.984 N/A LYS 591.A N ASN 588.A O no hydrogen 2.857 N/A ARG 592.A N LEU 589.A O no hydrogen 3.072 N/A ARG 592.A NH1 ASN 541.A OD1 no hydrogen 3.307 N/A ARG 592.A NH2 ASN 541.A OD1 no hydrogen 2.522 N/A ARG 592.A NH2 ALA 586.A O no hydrogen 3.072 N/A ASP 595.A N ARG 592.A O no hydrogen 3.040 N/A LEU 596.A N ALA 593.A O no hydrogen 3.064 N/A LYS 597.A NZ ASP 548.A OD2 no hydrogen 2.882 N/A ARG 599.A N LYS 551.A O no hydrogen 2.895 N/A ARG 599.A NE ASP 631.A OD1 no hydrogen 3.402 N/A ARG 599.A NH2 ASP 631.A OD1 no hydrogen 3.244 N/A MET 601.A N GLY 553.A O no hydrogen 3.001 N/A LEU 602.A N ASP 631.A O no hydrogen 3.244 N/A ILE 603.A N ALA 555.A O no hydrogen 2.741 N/A HIS 604.A N TYR 633.A O no hydrogen 3.015 N/A HIS 604.A ND1 SER 616.A OG no hydrogen 2.489 N/A HIS 604.A NE2 VAL 611.A O no hydrogen 2.660 N/A ALA 606.A N TYR 635.A O no hydrogen 3.069 N/A ILE 607.A N HIS 638.A O no hydrogen 3.283 N/A ASP 608.A N GLY 605.A O no hydrogen 2.900 N/A VAL 610.A N ASP 608.A OD2 no hydrogen 2.575 N/A VAL 611.A N ASP 608.A OD2 no hydrogen 2.857 N/A TRP 613.A NE1 TYR 632.A OH no hydrogen 2.918 N/A HIS 615.A N VAL 612.A O no hydrogen 2.923 N/A SER 616.A OG HIS 604.A ND1 no hydrogen 2.489 N/A SER 616.A OG TRP 613.A O no hydrogen 3.250 N/A SER 616.A OG TYR 632.A OH no hydrogen 2.910 N/A LEU 617.A N TRP 613.A O no hydrogen 3.257 N/A LEU 618.A N GLN 614.A O no hydrogen 2.767 N/A PHE 619.A N HIS 615.A O no hydrogen 3.162 N/A LEU 620.A N SER 616.A O no hydrogen 3.102 N/A ASP 621.A N LEU 617.A O no hydrogen 2.940 N/A ALA 622.A N LEU 618.A O no hydrogen 2.803 N/A CYS 623.A N PHE 619.A O no hydrogen 2.913 N/A CYS 623.A SG PHE 619.A O no hydrogen 3.458 N/A CYS 623.A SG THR 628.A OG1 no hydrogen 3.195 N/A VAL 624.A N LEU 620.A O no hydrogen 2.943 N/A LYS 625.A N ASP 621.A O no hydrogen 3.261 N/A LYS 625.A NZ ASP 621.A OD1 no hydrogen 3.546 N/A LYS 625.A NZ ASP 621.A OD2 no hydrogen 2.993 N/A ALA 626.A N ALA 622.A O no hydrogen 2.925 N/A ALA 626.A N CYS 623.A O no hydrogen 3.286 N/A THR 628.A N CYS 623.A O no hydrogen 2.771 N/A THR 628.A OG1 ALA 593.A O no hydrogen 3.110 N/A THR 628.A OG1 CYS 623.A O no hydrogen 3.473 N/A ASP 631.A N LEU 600.A O no hydrogen 2.680 N/A TYR 632.A OH SER 616.A OG no hydrogen 2.910 N/A TYR 633.A N LEU 602.A O no hydrogen 3.126 N/A TYR 635.A N HIS 604.A O no hydrogen 2.888 N/A TYR 635.A OH HIS 649.A ND1 no hydrogen 2.625 N/A SER 637.A OG HIS 175.A NE2 no hydrogen 2.772 N/A HIS 638.A N TYR 635.A O no hydrogen 3.208 N/A HIS 638.A NE2 ASP 646.A OD1 no hydrogen 2.400 N/A HIS 640.A ND1 ASP 608.A OD1 no hydrogen 2.895 N/A ARG 647.A N GLY 644.A O no hydrogen 2.812 N/A ARG 647.A NH1 VAL 642.A O no hydrogen 2.761 N/A VAL 648.A N PRO 645.A O no hydrogen 2.872 N/A HIS 649.A ND1 TYR 635.A OH no hydrogen 2.625 N/A LEU 650.A N ASP 646.A O no hydrogen 3.032 N/A TYR 651.A N ARG 647.A O no hydrogen 2.919 N/A TYR 651.A OH GLY 465.A O no hydrogen 3.331 N/A GLU 652.A N VAL 648.A O no hydrogen 2.866 N/A THR 653.A N HIS 649.A O no hydrogen 2.931 N/A THR 653.A OG1 HIS 649.A O no hydrogen 2.920 N/A ILE 654.A N LEU 650.A O no hydrogen 2.939 N/A THR 655.A N TYR 651.A O no hydrogen 2.979 N/A THR 655.A OG1 TYR 651.A O no hydrogen 3.185 N/A ARG 656.A N GLU 652.A O no hydrogen 2.912 N/A TYR 657.A N THR 653.A O no hydrogen 3.029 N/A TYR 657.A OH ASP 631.A OD1 no hydrogen 2.804 N/A PHE 658.A N ILE 654.A O no hydrogen 3.423 N/A PHE 658.A N THR 655.A O no hydrogen 2.818 N/A THR 659.A N THR 655.A O no hydrogen 3.051 N/A THR 659.A OG1 ARG 656.A O no hydrogen 2.957 N/A ASP 660.A N ARG 656.A O no hydrogen 2.918 N/A HIS 661.A N TYR 657.A O no hydrogen 3.008 N/A LEU 662.A N PHE 658.A O no hydrogen 2.650 N/A