Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qrk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLY 1.A O no hydrogen 2.602 N/A ARG 3.A NH1 ARG 3.A O no hydrogen 3.308 N/A ASN 9.A ND2 ILE 83.A O no hydrogen 3.520 N/A ASN 12.A N ASP 221.A OD1 no hydrogen 3.117 N/A ASN 12.A ND2 ASN 12.A O no hydrogen 2.442 N/A ASN 12.A ND2 LYS 134.A O no hydrogen 3.107 N/A ALA 14.A N SER 11.A OG no hydrogen 3.270 N/A GLU 22.A N VAL 147.A O no hydrogen 2.935 N/A ASN 24.A ND2 VAL 25.A O no hydrogen 3.528 N/A THR 26.A N ASP 65.A O no hydrogen 2.789 N/A THR 26.A OG1 SER 27.A OG no hydrogen 3.328 N/A THR 26.A OG1 ASP 65.A O no hydrogen 3.220 N/A SER 27.A OG THR 26.A OG1 no hydrogen 3.328 N/A HIS 29.A N GLN 63.A O no hydrogen 2.558 N/A LYS 32.A NZ ASN 50.A O no hydrogen 3.052 N/A ARG 34.A NE ASP 45.A O no hydrogen 2.982 N/A ARG 34.A NH1 GLU 48.A OE2 no hydrogen 3.073 N/A ARG 34.A NH2 ASP 45.A O no hydrogen 3.201 N/A ARG 34.A NH2 GLU 48.A OE2 no hydrogen 3.244 N/A ASP 36.A N GLU 33.A O no hydrogen 2.572 N/A THR 37.A N ASP 36.A OD1 no hydrogen 3.118 N/A ASN 38.A ND2 TYR 61.A O no hydrogen 2.812 N/A LYS 39.A NZ LYS 51.A O no hydrogen 2.917 N/A VAL 40.A N ASP 36.A O no hydrogen 3.208 N/A ASP 41.A N THR 37.A O no hydrogen 2.538 N/A HIS 42.A N ASN 38.A O no hydrogen 2.724 N/A THR 44.A N LYS 39.A O no hydrogen 3.048 N/A THR 44.A OG1 ILE 53.A O no hydrogen 2.612 N/A TYR 47.A N THR 44.A O no hydrogen 3.472 N/A TYR 47.A OH CYS 305.A O no hydrogen 2.646 N/A GLU 48.A N PHE 208.A O no hydrogen 3.082 N/A ASN 49.A N TYR 47.A O no hydrogen 2.682 N/A LYS 51.A NZ PRO 154.A O no hydrogen 3.413 N/A VAL 54.A N TYR 159.A O no hydrogen 2.935 N/A ARG 55.A N HIS 42.A ND1 no hydrogen 3.189 N/A ARG 55.A NE HIS 42.A O no hydrogen 3.061 N/A ARG 55.A NH1 PHE 162.A O no hydrogen 2.952 N/A ARG 56.A N LEU 161.A O no hydrogen 3.076 N/A ARG 56.A NE ASP 169.A OD1 no hydrogen 3.291 N/A ARG 56.A NE ASP 169.A OD2 no hydrogen 2.910 N/A ARG 56.A NH1 CYS 130.A O no hydrogen 2.662 N/A ARG 56.A NH1 GLY 231.A O no hydrogen 3.288 N/A ARG 56.A NH2 ASP 169.A OD1 no hydrogen 2.803 N/A GLY 57.A N SER 126.A OG no hydrogen 2.931 N/A PHE 60.A N ILE 124.A O no hydrogen 3.087 N/A TYR 61.A N ASN 38.A OD1 no hydrogen 2.933 N/A VAL 62.A N LEU 122.A O no hydrogen 2.895 N/A GLN 63.A N HIS 29.A O no hydrogen 2.484 N/A GLN 63.A NE2 ASP 65.A OD1 no hydrogen 3.340 N/A ILE 64.A N VAL 120.A O no hydrogen 3.003 N/A ASP 65.A N SER 27.A O no hydrogen 2.840 N/A PHE 66.A N ARG 118.A O no hydrogen 2.895 N/A SER 67.A N ASN 24.A O no hydrogen 2.728 N/A SER 67.A OG ASN 24.A O no hydrogen 3.324 N/A SER 67.A OG ASN 24.A OD1 no hydrogen 2.573 N/A ARG 68.A NH1 ASP 75.A OD2 no hydrogen 2.753 N/A ARG 68.A NH2 ASP 75.A OD1 no hydrogen 2.456 N/A ARG 68.A NH2 ASP 75.A OD2 no hydrogen 2.929 N/A ASP 71.A N ASP 75.A OD2 no hydrogen 2.943 N/A ARG 73.A N ASP 71.A OD1 no hydrogen 3.259 N/A ARG 78.A N ALA 140.A O no hydrogen 2.976 N/A GLU 80.A N TYR 138.A O no hydrogen 2.889 N/A TYR 81.A N ILE 95.A O no hydrogen 2.960 N/A VAL 82.A N ARG 136.A O no hydrogen 3.289 N/A ILE 83.A N THR 93.A O no hydrogen 3.041 N/A GLN 88.A N THR 93.A OG1 no hydrogen 2.870 N/A LYS 91.A N GLN 88.A O no hydrogen 2.741 N/A THR 93.A N GLN 88.A O no hydrogen 3.357 N/A TYR 94.A OH GLU 80.A OE2 no hydrogen 2.788 N/A ILE 95.A N TYR 81.A O no hydrogen 2.789 N/A VAL 97.A N VAL 79.A O no hydrogen 2.794 N/A VAL 100.A N ALA 110.A O no hydrogen 2.904 N/A LEU 103.A N GLU 102.A OE2 no hydrogen 3.473 N/A GLN 104.A N GLN 104.A OE1 no hydrogen 2.729 N/A GLY 109.A N GLN 125.A O no hydrogen 3.175 N/A ALA 110.A N PRO 98.A O no hydrogen 3.119 N/A LYS 111.A N SER 123.A O no hydrogen 2.912 N/A LYS 111.A NZ GLU 102.A OE1 no hydrogen 2.892 N/A LYS 111.A NZ GLU 102.A OE2 no hydrogen 2.812 N/A MET 114.A N ARG 121.A O no hydrogen 3.411 N/A ARG 115.A NH2 TYR 70.A O no hydrogen 3.169 N/A GLU 116.A N SER 119.A O no hydrogen 3.319 N/A ARG 118.A NH1 PHE 66.A O no hydrogen 3.017 N/A SER 119.A N GLU 116.A O no hydrogen 3.017 N/A SER 119.A OG ASP 65.A OD1 no hydrogen 2.800 N/A VAL 120.A N ILE 64.A O no hydrogen 2.890 N/A ARG 121.A N MET 114.A O no hydrogen 2.610 N/A LEU 122.A N VAL 62.A O no hydrogen 2.746 N/A SER 123.A N LYS 111.A O no hydrogen 3.048 N/A ILE 124.A N PHE 60.A O no hydrogen 3.020 N/A GLN 125.A N GLY 109.A O no hydrogen 2.866 N/A GLN 125.A NE2 GLN 104.A O no hydrogen 2.696 N/A GLN 125.A NE2 LYS 107.A O no hydrogen 3.196 N/A SER 127.A OG GLY 106.A O no hydrogen 3.311 N/A LYS 129.A N SER 127.A OG no hydrogen 3.387 N/A CYS 130.A N SER 127.A O no hydrogen 3.067 N/A CYS 130.A SG ILE 131.A O no hydrogen 3.294 N/A GLY 133.A N ILE 160.A O no hydrogen 3.294 N/A LYS 134.A N ASN 12.A OD1 no hydrogen 2.906 N/A PHE 135.A N THR 158.A O no hydrogen 2.728 N/A ARG 136.A N VAL 82.A O no hydrogen 3.160 N/A ARG 136.A NE TYR 138.A OH no hydrogen 3.430 N/A ARG 136.A NH1 ASP 16.A OD1 no hydrogen 2.995 N/A ARG 136.A NH1 GLY 84.A O no hydrogen 3.356 N/A ARG 136.A NH2 ASP 16.A OD1 no hydrogen 2.960 N/A ARG 136.A NH2 TYR 138.A OH no hydrogen 2.959 N/A TYR 138.A N GLU 80.A O no hydrogen 2.945 N/A TYR 138.A OH ASP 17.A OD1 no hydrogen 3.168 N/A VAL 139.A N THR 150.A OG1 no hydrogen 2.780 N/A ALA 140.A N ARG 78.A O no hydrogen 2.828 N/A VAL 141.A N LEU 148.A O no hydrogen 2.686 N/A TRP 142.A N LEU 76.A O no hydrogen 3.306 N/A THR 143.A N GLY 146.A O no hydrogen 3.200 N/A THR 143.A OG1 GLY 146.A O no hydrogen 2.890 N/A TYR 145.A N THR 143.A OG1 no hydrogen 2.879 N/A GLY 146.A N THR 143.A O no hydrogen 3.128 N/A LEU 148.A N VAL 141.A O no hydrogen 2.683 N/A ARG 149.A N THR 20.A O no hydrogen 2.820 N/A ARG 149.A NE GLU 80.A OE1 no hydrogen 2.692 N/A ARG 149.A NE GLU 80.A OE2 no hydrogen 3.320 N/A ARG 149.A NH1 PRO 19.A O no hydrogen 2.982 N/A ARG 149.A NH2 GLU 80.A OE2 no hydrogen 2.831 N/A THR 150.A N VAL 139.A O no hydrogen 3.126 N/A ARG 152.A NH2 ASP 157.A OD2 no hydrogen 3.200 N/A THR 156.A N ASN 153.A O no hydrogen 3.353 N/A THR 156.A OG1 ASN 153.A O no hydrogen 2.554 N/A ASP 157.A N PRO 154.A O no hydrogen 3.026 N/A THR 158.A N PHE 135.A O no hydrogen 3.028 N/A THR 158.A OG1 THR 156.A O no hydrogen 2.848 N/A TYR 159.A N LEU 52.A O no hydrogen 3.045 N/A TYR 159.A OH ASP 214.A OD1 no hydrogen 3.071 N/A TYR 159.A OH ASP 214.A OD2 no hydrogen 2.874 N/A ILE 160.A N GLY 133.A O no hydrogen 2.902 N/A LEU 161.A N VAL 54.A O no hydrogen 3.033 N/A PHE 162.A N LEU 306.A O no hydrogen 2.907 N/A ASN 163.A ND2 ARG 56.A O no hydrogen 2.823 N/A ASN 163.A ND2 GLN 58.A OE1 no hydrogen 3.175 N/A TRP 165.A N ASN 163.A OD1 no hydrogen 2.975 N/A TRP 165.A NE1 GLU 176.A OE1 no hydrogen 3.083 N/A TRP 165.A NE1 GLU 176.A OE2 no hydrogen 3.291 N/A CYS 166.A N ASN 163.A O no hydrogen 2.996 N/A CYS 166.A SG GLY 57.A O no hydrogen 3.631 N/A ASP 169.A N CYS 166.A O no hydrogen 3.124 N/A VAL 171.A N ASP 169.A OD1 no hydrogen 3.460 N/A TYR 172.A N ASP 169.A O no hydrogen 2.933 N/A LEU 173.A N PRO 164.A O no hydrogen 2.923 N/A LYS 177.A N ASN 175.A OD1 no hydrogen 2.947 N/A ARG 179.A N ASN 175.A O no hydrogen 2.784 N/A ARG 179.A NE PRO 164.A O no hydrogen 3.215 N/A ARG 179.A NE LEU 173.A O no hydrogen 2.597 N/A GLU 180.A N GLU 176.A O no hydrogen 2.914 N/A GLU 181.A N LYS 177.A O no hydrogen 3.007 N/A TYR 182.A N GLU 178.A O no hydrogen 2.696 N/A VAL 183.A N ARG 179.A O no hydrogen 2.982 N/A LEU 184.A N ARG 179.A O no hydrogen 3.244 N/A ASN 185.A N GLU 180.A O no hydrogen 2.690 N/A ILE 187.A N ASN 185.A OD1 no hydrogen 3.012 N/A GLY 188.A N TRP 203.A O no hydrogen 2.831 N/A ILE 190.A N ARG 201.A O no hydrogen 2.721 N/A TYR 192.A N LYS 199.A O no hydrogen 2.778 N/A GLU 194.A N ASP 197.A O no hydrogen 3.224 N/A ASN 196.A N GLU 194.A OE1 no hydrogen 2.819 N/A ASP 197.A N GLU 194.A O no hydrogen 2.651 N/A LYS 199.A N TYR 192.A O no hydrogen 2.942 N/A LYS 199.A NZ ASP 197.A OD1 no hydrogen 3.002 N/A LYS 199.A NZ ASP 197.A OD2 no hydrogen 2.739 N/A ARG 201.A NH2 TRP 270.A O no hydrogen 2.649 N/A SER 202.A N GLU 693.A OE1 no hydrogen 2.996 N/A SER 202.A OG GLY 188.A O no hydrogen 3.294 N/A SER 202.A OG GLU 693.A OE2 no hydrogen 3.281 N/A TRP 203.A N GLY 188.A O no hydrogen 2.753 N/A TRP 203.A NE1 SER 273.A OG no hydrogen 2.846 N/A SER 204.A N THR 271.A O no hydrogen 3.047 N/A GLY 206.A N ASP 186.A O no hydrogen 3.194 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.832 N/A GLN 207.A NE2 VAL 183.A O no hydrogen 2.985 N/A GLN 207.A NE2 ASN 185.A O no hydrogen 2.761 N/A GLU 209.A N GLY 206.A O no hydrogen 3.107 N/A ILE 212.A N GLU 209.A O no hydrogen 3.186 N/A THR 215.A N GLY 211.A O no hydrogen 3.068 N/A THR 215.A N ILE 212.A O no hydrogen 3.014 N/A THR 215.A OG1 ILE 212.A O no hydrogen 2.931 N/A CYS 216.A N ILE 212.A O no hydrogen 2.931 N/A CYS 216.A SG ILE 212.A O no hydrogen 3.442 N/A CYS 216.A SG PHE 302.A O no hydrogen 3.997 N/A LEU 217.A N LEU 213.A O no hydrogen 3.366 N/A TYR 218.A N ASP 214.A O no hydrogen 3.174 N/A TYR 218.A OH GLU 284.A OE2 no hydrogen 2.729 N/A VAL 219.A N THR 215.A O no hydrogen 2.849 N/A ASP 221.A N LEU 217.A O no hydrogen 3.058 N/A ARG 222.A N TYR 218.A O no hydrogen 2.771 N/A ARG 222.A NH1 GLU 284.A O no hydrogen 3.173 N/A ARG 222.A NH2 GLU 284.A O no hydrogen 3.504 N/A ALA 223.A N VAL 219.A O no hydrogen 2.796 N/A ALA 223.A N MET 220.A O no hydrogen 2.825 N/A GLN 224.A N ASP 221.A O no hydrogen 2.867 N/A MET 225.A N MET 220.A O no hydrogen 3.168 N/A LEU 227.A N ASN 9.A O no hydrogen 3.000 N/A SER 228.A OG LYS 91.A O no hydrogen 3.140 N/A GLY 229.A N ASP 226.A O no hydrogen 3.093 N/A ARG 230.A N LEU 227.A O no hydrogen 2.941 N/A ARG 230.A NE MET 225.A O no hydrogen 3.288 N/A ARG 230.A NH1 ASP 221.A OD1 no hydrogen 2.910 N/A ARG 230.A NH2 ASP 221.A OD1 no hydrogen 2.833 N/A ARG 230.A NH2 MET 225.A O no hydrogen 3.086 N/A ASN 232.A N GLY 229.A O no hydrogen 2.916 N/A ILE 234.A N ASN 232.A OD1 no hydrogen 2.923 N/A VAL 236.A N ASN 232.A O no hydrogen 2.826 N/A SER 237.A N PRO 233.A O no hydrogen 2.806 N/A SER 237.A OG PRO 233.A O no hydrogen 2.646 N/A SER 237.A OG ILE 234.A O no hydrogen 2.942 N/A ARG 238.A N ILE 234.A O no hydrogen 2.690 N/A ARG 238.A NH1 GLY 388.A O no hydrogen 2.578 N/A ARG 238.A NH1 ASP 405.A OD2 no hydrogen 3.014 N/A VAL 239.A N LYS 235.A O no hydrogen 2.782 N/A GLY 240.A N VAL 236.A O no hydrogen 2.795 N/A SER 241.A N SER 237.A O no hydrogen 2.938 N/A SER 241.A OG SER 237.A O no hydrogen 2.917 N/A SER 241.A OG ARG 238.A O no hydrogen 3.525 N/A MET 243.A N VAL 239.A O no hydrogen 3.280 N/A MET 243.A N GLY 240.A O no hydrogen 3.163 N/A VAL 244.A N SER 241.A O no hydrogen 3.257 N/A ALA 246.A N LEU 253.A O no hydrogen 2.638 N/A LYS 247.A NZ MET 384.A O no hydrogen 3.533 N/A VAL 252.A N MET 243.A O no hydrogen 2.629 N/A LEU 253.A N VAL 244.A O no hydrogen 2.769 N/A VAL 254.A N VAL 287.A O no hydrogen 2.741 N/A SER 256.A N GLY 290.A O no hydrogen 2.971 N/A ILE 260.A N ASP 258.A OD1 no hydrogen 3.328 N/A TYR 261.A N ASP 258.A OD1 no hydrogen 2.761 N/A TYR 261.A OH GLU 573.A OE1 no hydrogen 3.117 N/A TYR 261.A OH GLU 573.A OE2 no hydrogen 2.698 N/A TYR 263.A N TYR 289.A OH no hydrogen 3.228 N/A VAL 265.A N ARG 288.A O no hydrogen 3.125 N/A ALA 269.A N PRO 266.A O no hydrogen 2.863 N/A TRP 270.A NE1 TYR 289.A O no hydrogen 2.759 N/A THR 271.A OG1 ASP 641.A OD2 no hydrogen 3.153 N/A SER 273.A N SER 204.A O no hydrogen 2.935 N/A SER 273.A OG THR 301.A OG1 no hydrogen 2.618 N/A LEU 277.A N SER 273.A O no hydrogen 2.787 N/A LEU 278.A N VAL 274.A O no hydrogen 2.850 N/A GLU 279.A N ASP 275.A O no hydrogen 2.972 N/A GLU 279.A N ILE 276.A O no hydrogen 2.976 N/A TYR 280.A N ILE 276.A O no hydrogen 2.973 N/A ARG 281.A N LEU 277.A O no hydrogen 3.074 N/A SER 282.A N LEU 278.A O no hydrogen 3.033 N/A SER 282.A OG LEU 278.A O no hydrogen 2.761 N/A SER 283.A N GLU 279.A O no hydrogen 2.913 N/A SER 283.A OG GLU 279.A O no hydrogen 2.615 N/A SER 283.A OG GLU 279.A OE1 no hydrogen 3.278 N/A SER 283.A OG ASN 285.A O no hydrogen 3.253 N/A GLU 284.A N TYR 280.A O no hydrogen 2.613 N/A ASN 285.A N SER 283.A OG no hydrogen 3.385 N/A VAL 287.A N VAL 252.A O no hydrogen 2.750 N/A TYR 289.A N VAL 265.A O no hydrogen 3.002 N/A GLY 290.A N VAL 254.A O no hydrogen 2.811 N/A GLN 291.A NE2 SER 256.A O no hydrogen 2.951 N/A GLN 291.A NE2 GLU 573.A OE2 no hydrogen 3.507 N/A CYS 292.A SG HIS 351.A ND1 no hydrogen 3.388 N/A CYS 292.A SG TYR 533.A OH no hydrogen 2.940 N/A VAL 294.A N GLN 291.A O no hydrogen 2.678 N/A PHE 295.A N GLN 291.A O no hydrogen 3.044 N/A ALA 296.A N CYS 292.A O no hydrogen 2.817 N/A GLY 297.A N TRP 293.A O no hydrogen 2.826 N/A VAL 298.A N VAL 294.A O no hydrogen 3.044 N/A PHE 299.A N PHE 295.A O no hydrogen 2.958 N/A ASN 300.A N ALA 296.A O no hydrogen 3.104 N/A ASN 300.A ND2 ALA 310.A O no hydrogen 3.669 N/A THR 301.A N GLY 297.A O no hydrogen 3.086 N/A THR 301.A OG1 TYR 205.A O no hydrogen 2.760 N/A THR 301.A OG1 SER 273.A OG no hydrogen 2.618 N/A THR 301.A OG1 GLY 297.A O no hydrogen 3.147 N/A PHE 302.A N VAL 298.A O no hydrogen 2.942 N/A LEU 303.A N PHE 299.A O no hydrogen 3.018 N/A ARG 304.A N ASN 300.A O no hydrogen 3.043 N/A ARG 304.A NE ALA 310.A O no hydrogen 3.101 N/A ARG 304.A NH1 ASN 185.A O no hydrogen 2.575 N/A ARG 304.A NH2 ALA 310.A O no hydrogen 3.248 N/A CYS 305.A N THR 301.A O no hydrogen 3.066 N/A CYS 305.A SG GLN 207.A O no hydrogen 3.586 N/A LEU 306.A N LEU 303.A O no hydrogen 2.943 N/A GLY 307.A N LEU 303.A O no hydrogen 3.018 N/A GLY 307.A N ARG 304.A O no hydrogen 2.943 N/A ILE 308.A N LEU 303.A O no hydrogen 3.075 N/A ARG 311.A N GLU 355.A O no hydrogen 3.045 N/A ARG 311.A NE GLU 355.A OE1 no hydrogen 2.841 N/A ARG 311.A NH1 TYR 182.A OH no hydrogen 3.182 N/A ARG 311.A NH2 GLU 355.A OE1 no hydrogen 2.707 N/A VAL 313.A N TRP 353.A O no hydrogen 2.653 N/A THR 314.A N VAL 443.A O no hydrogen 2.973 N/A THR 314.A OG1 PHE 191.A O no hydrogen 3.147 N/A ASN 315.A N HIS 351.A O no hydrogen 2.832 N/A ASN 315.A ND2 SER 318.A OG no hydrogen 2.788 N/A ASN 315.A ND2 GLU 412.A O no hydrogen 3.595 N/A TYR 316.A N LEU 441.A O no hydrogen 2.878 N/A TYR 316.A OH TYR 192.A O no hydrogen 2.450 N/A PHE 317.A N ASN 349.A O no hydrogen 2.927 N/A SER 318.A N TRP 348.A O no hydrogen 2.973 N/A SER 318.A OG GLU 412.A OE1 no hydrogen 2.925 N/A ALA 319.A N GLU 412.A O no hydrogen 3.098 N/A HIS 320.A ND1 GLU 412.A OE2 no hydrogen 2.436 N/A HIS 320.A NE2 PRO 377.A O no hydrogen 3.075 N/A ASN 322.A ND2 ALA 319.A O no hydrogen 2.807 N/A ASN 322.A ND2 PHE 408.A O no hydrogen 3.093 N/A ALA 324.A N ASN 322.A OD1 no hydrogen 3.033 N/A ASN 325.A N ASN 322.A O no hydrogen 2.745 N/A LEU 326.A N LYS 481.A O no hydrogen 2.702 N/A GLN 327.A NE2 LEU 484.A O no hydrogen 3.279 N/A MET 328.A N ASP 416.A O no hydrogen 2.712 N/A ILE 330.A N ILE 418.A O no hydrogen 2.714 N/A PHE 331.A N THR 343.A OG1 no hydrogen 2.765 N/A LEU 332.A N ILE 420.A O no hydrogen 3.228 N/A GLU 333.A N ASN 337.A O no hydrogen 2.712 N/A GLY 336.A N GLU 333.A O no hydrogen 2.750 N/A ASN 337.A N ASP 335.A OD1 no hydrogen 3.356 N/A ASN 337.A ND2 ASP 335.A OD1 no hydrogen 3.117 N/A ASN 339.A N PHE 331.A O no hydrogen 2.499 N/A LEU 342.A N ASN 339.A OD1 no hydrogen 3.077 N/A THR 343.A N ASN 339.A O no hydrogen 3.263 N/A THR 343.A OG1 ASN 339.A O no hydrogen 2.660 N/A LYS 344.A NZ SER 340.A O no hydrogen 3.343 N/A TRP 348.A N SER 318.A O no hydrogen 2.920 N/A ASN 349.A N TYR 533.A O no hydrogen 2.842 N/A TYR 350.A OH GLN 574.A OE1 no hydrogen 2.618 N/A HIS 351.A N ASN 315.A O no hydrogen 2.922 N/A HIS 351.A NE2 ASP 374.A OD2 no hydrogen 2.897 N/A CYS 352.A SG THR 314.A OG1 no hydrogen 3.502 N/A TRP 353.A N VAL 313.A O no hydrogen 2.727 N/A TRP 353.A NE1 TYR 459.A OH no hydrogen 2.896 N/A ASN 354.A N VAL 373.A O no hydrogen 3.008 N/A ASN 354.A ND2 ALA 296.A O no hydrogen 3.163 N/A ASN 354.A ND2 ASN 300.A OD1 no hydrogen 3.137 N/A GLU 355.A N ARG 311.A O no hydrogen 2.940 N/A ALA 356.A N GLN 371.A O no hydrogen 2.833 N/A TRP 357.A N PRO 309.A O no hydrogen 2.746 N/A TRP 357.A NE1 TYR 172.A O no hydrogen 2.760 N/A MET 358.A N GLY 369.A O no hydrogen 2.981 N/A ARG 360.A NE GLN 371.A OE1 no hydrogen 2.667 N/A ARG 360.A NH1 ASP 362.A OD2 no hydrogen 2.772 N/A LEU 363.A N ARG 360.A O no hydrogen 3.227 N/A GLY 369.A N MET 358.A O no hydrogen 2.512 N/A GLN 371.A N ALA 356.A O no hydrogen 2.749 N/A GLN 371.A NE2 PHE 367.A O no hydrogen 3.300 N/A GLN 371.A NE2 GLY 369.A O no hydrogen 3.210 N/A ALA 372.A N ALA 390.A O no hydrogen 2.728 N/A VAL 373.A N ASN 354.A O no hydrogen 2.961 N/A ASP 374.A N CYS 387.A O no hydrogen 2.774 N/A THR 376.A N ASP 374.A OD1 no hydrogen 2.970 N/A THR 376.A OG1 ASP 374.A OD1 no hydrogen 3.134 N/A GLN 378.A N TYR 385.A O no hydrogen 3.021 N/A GLN 378.A NE2 GLU 412.A OE2 no hydrogen 3.116 N/A ASP 382.A N ASN 380.A OD1 no hydrogen 2.681 N/A GLY 383.A N ASN 380.A OD1 no hydrogen 3.102 N/A TYR 385.A N GLN 378.A O no hydrogen 2.917 N/A ARG 386.A NE ARG 238.A O no hydrogen 3.022 N/A ARG 386.A NH1 ARG 386.A O no hydrogen 2.950 N/A CYS 387.A N ASP 374.A O no hydrogen 2.912 N/A CYS 387.A SG TYR 385.A O no hydrogen 3.885 N/A GLY 388.A N ASP 405.A OD2 no hydrogen 2.976 N/A ALA 390.A N ALA 372.A O no hydrogen 2.711 N/A SER 391.A OG PHE 367.A O no hydrogen 3.151 N/A VAL 392.A N TRP 370.A O no hydrogen 3.466 N/A ALA 394.A N SER 391.A OG no hydrogen 3.175 N/A ILE 395.A N SER 391.A O no hydrogen 3.092 N/A LYS 396.A N VAL 392.A O no hydrogen 2.939 N/A HIS 397.A N ALA 394.A O no hydrogen 2.712 N/A HIS 397.A ND1 GLN 393.A O no hydrogen 2.894 N/A GLY 398.A N ILE 395.A O no hydrogen 3.116 N/A HIS 399.A N ALA 394.A O no hydrogen 3.141 N/A VAL 400.A N GLY 398.A O no hydrogen 2.818 N/A PHE 402.A N HIS 399.A O no hydrogen 3.451 N/A GLN 403.A NE2 ASP 362.A OD2 no hydrogen 3.089 N/A PHE 404.A N PRO 389.A O no hydrogen 3.372 N/A PHE 408.A N ASP 405.A O no hydrogen 3.202 N/A PHE 410.A N ALA 406.A O no hydrogen 3.150 N/A ALA 411.A N PRO 407.A O no hydrogen 3.324 N/A GLU 412.A N PHE 408.A O no hydrogen 3.313 N/A VAL 413.A N PHE 410.A O no hydrogen 3.073 N/A ASN 414.A N PHE 410.A O no hydrogen 2.959 N/A ASN 414.A ND2 PHE 410.A O no hydrogen 2.976 N/A SER 415.A N ALA 411.A O no hydrogen 3.395 N/A SER 415.A OG ASN 325.A O no hydrogen 3.506 N/A SER 415.A OG ALA 411.A O no hydrogen 3.059 N/A ASP 416.A N LEU 326.A O no hydrogen 2.947 N/A LEU 417.A N ASP 434.A O no hydrogen 3.125 N/A ILE 418.A N MET 328.A O no hydrogen 2.502 N/A TYR 419.A N ASN 432.A O no hydrogen 2.707 N/A ILE 420.A N ILE 330.A O no hydrogen 2.991 N/A THR 421.A N VAL 429.A O no hydrogen 2.675 N/A THR 421.A OG1 LEU 332.A O no hydrogen 3.332 N/A ALA 422.A N LEU 332.A O no hydrogen 3.270 N/A LYS 423.A N THR 427.A O no hydrogen 2.564 N/A LYS 424.A N GLU 334.A OE2 no hydrogen 3.146 N/A GLY 426.A N LYS 423.A O no hydrogen 2.778 N/A THR 427.A N LYS 423.A O no hydrogen 3.223 N/A THR 427.A OG1 ASP 425.A OD1 no hydrogen 3.181 N/A THR 427.A OG1 ASP 425.A OD2 no hydrogen 2.539 N/A VAL 429.A N THR 421.A O no hydrogen 3.011 N/A GLU 431.A N TYR 419.A O no hydrogen 2.539 N/A ASN 432.A N TYR 419.A O no hydrogen 3.074 N/A ASN 432.A ND2 GLU 431.A O no hydrogen 3.301 N/A ASP 434.A N LEU 417.A O no hydrogen 2.860 N/A THR 436.A N ASP 434.A OD1 no hydrogen 3.122 N/A THR 436.A OG1 ASP 434.A OD1 no hydrogen 3.043 N/A GLY 439.A N PHE 317.A O no hydrogen 2.703 N/A LYS 440.A N TYR 316.A O no hydrogen 3.181 N/A LYS 440.A NZ THR 436.A O no hydrogen 3.184 N/A ILE 442.A N THR 456.A OG1 no hydrogen 2.858 N/A VAL 443.A N THR 314.A O no hydrogen 2.775 N/A THR 444.A N MET 453.A O no hydrogen 2.955 N/A THR 444.A OG1 ILE 312.A O no hydrogen 2.845 N/A LYS 445.A NZ GLU 181.A OE1 no hydrogen 3.462 N/A LYS 445.A NZ GLU 181.A OE2 no hydrogen 3.361 N/A LYS 445.A NZ GLY 449.A O no hydrogen 3.364 N/A GLN 446.A N GLY 451.A O no hydrogen 3.205 N/A GLN 446.A NE2 MET 452.A O no hydrogen 2.980 N/A MET 453.A N THR 444.A O no hydrogen 2.565 N/A ILE 455.A N ILE 442.A O no hydrogen 3.322 N/A THR 456.A N ASP 454.A OD1 no hydrogen 2.955 N/A THR 456.A OG1 ILE 442.A O no hydrogen 3.056 N/A THR 456.A OG1 ASP 454.A OD1 no hydrogen 2.676 N/A THR 458.A N ILE 455.A O no hydrogen 3.069 N/A THR 458.A OG1 ILE 455.A O no hydrogen 2.851 N/A TYR 459.A N THR 456.A O no hydrogen 3.086 N/A TYR 459.A OH GLU 355.A OE2 no hydrogen 2.622 N/A LYS 460.A N THR 456.A O no hydrogen 3.387 N/A LYS 460.A NZ VAL 413.A O no hydrogen 2.867 N/A LYS 460.A NZ GLY 439.A O no hydrogen 3.245 N/A GLN 465.A N GLN 462.A O no hydrogen 3.180 N/A GLN 465.A NE2 GLN 462.A O no hydrogen 3.329 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 3.352 N/A GLU 468.A N GLN 465.A O no hydrogen 2.600 N/A ARG 469.A N GLN 465.A O no hydrogen 3.079 N/A LEU 470.A N GLU 466.A O no hydrogen 2.578 N/A ALA 471.A N GLU 467.A O no hydrogen 2.953 N/A LEU 472.A N GLU 468.A O no hydrogen 3.179 N/A GLU 473.A N ARG 469.A O no hydrogen 2.943 N/A THR 474.A N LEU 470.A O no hydrogen 2.793 N/A THR 474.A OG1 LEU 470.A O no hydrogen 2.664 N/A ALA 475.A N ALA 471.A O no hydrogen 2.695 N/A LEU 476.A N LEU 472.A O no hydrogen 2.808 N/A MET 477.A N THR 474.A O no hydrogen 2.785 N/A TYR 478.A N ALA 475.A O no hydrogen 2.967 N/A ALA 480.A N ALA 475.A O no hydrogen 3.169 N/A LYS 481.A N ALA 324.A O no hydrogen 2.941 N/A LYS 481.A NZ ASP 323.A O no hydrogen 3.388 N/A LEU 484.A N GLN 327.A OE1 no hydrogen 3.115 N/A VAL 489.A N GLU 487.A O no hydrogen 2.773 N/A ASP 492.A N ARG 513.A O no hydrogen 2.756 N/A ASP 494.A N THR 511.A O no hydrogen 3.251 N/A GLU 496.A N SER 509.A O no hydrogen 2.920 N/A GLU 498.A N LYS 507.A O no hydrogen 3.129 N/A ASN 499.A ND2 VAL 599.A O no hydrogen 2.867 N/A LEU 502.A N THR 601.A O no hydrogen 2.913 N/A LYS 504.A N VAL 501.A O no hydrogen 3.143 N/A PHE 506.A N ILE 562.A O no hydrogen 3.030 N/A LEU 508.A N VAL 560.A O no hydrogen 3.050 N/A SER 509.A N GLU 496.A O no hydrogen 2.913 N/A ILE 510.A N GLU 558.A O no hydrogen 2.801 N/A THR 511.A N ASP 494.A O no hydrogen 2.800 N/A THR 511.A OG1 ASP 494.A O no hydrogen 3.319 N/A PHE 512.A N LYS 556.A O no hydrogen 2.861 N/A ARG 513.A N ASP 492.A O no hydrogen 2.831 N/A ASN 514.A N SER 554.A O no hydrogen 2.920 N/A ASN 514.A ND2 ASN 518.A O no hydrogen 3.067 N/A ASN 515.A N ASN 490.A O no hydrogen 3.148 N/A ASN 515.A ND2 ASN 490.A O no hydrogen 2.693 N/A ASN 515.A ND2 ASP 492.A OD1 no hydrogen 3.062 N/A SER 516.A OG ASN 514.A OD1 no hydrogen 3.200 N/A SER 516.A OG ASN 518.A O no hydrogen 3.455 N/A TYR 520.A N LEU 550.A O no hydrogen 2.917 N/A THR 521.A N GLU 587.A OE1 no hydrogen 2.749 N/A THR 521.A OG1 GLU 587.A OE2 no hydrogen 2.569 N/A ILE 522.A N VAL 548.A O no hydrogen 2.662 N/A THR 523.A N ARG 584.A O no hydrogen 3.096 N/A ALA 524.A N PHE 546.A O no hydrogen 2.976 N/A TYR 525.A N THR 582.A O no hydrogen 3.053 N/A TYR 525.A OH ASP 335.A O no hydrogen 3.058 N/A LEU 526.A N GLU 544.A O no hydrogen 2.653 N/A SER 527.A N PHE 580.A O no hydrogen 2.966 N/A ALA 528.A N LYS 542.A O no hydrogen 2.728 N/A ASN 529.A N HIS 578.A O no hydrogen 2.846 N/A ILE 530.A N ALA 539.A O no hydrogen 2.727 N/A THR 531.A OG1 PHE 532.A O no hydrogen 3.362 N/A PHE 532.A N VAL 536.A O no hydrogen 3.027 N/A GLY 535.A N PHE 532.A O no hydrogen 2.846 N/A LYS 538.A N ILE 530.A O no hydrogen 2.641 N/A LYS 542.A N ALA 528.A O no hydrogen 3.402 N/A LYS 542.A NZ GLU 544.A OE1 no hydrogen 3.148 N/A LYS 542.A NZ GLU 566.A OE2 no hydrogen 3.081 N/A LYS 543.A NZ ASN 337.A OD1 no hydrogen 2.676 N/A GLU 544.A N LEU 526.A O no hydrogen 2.825 N/A PHE 546.A N ALA 524.A O no hydrogen 2.941 N/A VAL 548.A N ILE 522.A O no hydrogen 3.045 N/A LEU 550.A N TYR 520.A O no hydrogen 3.053 N/A LEU 553.A N ASN 514.A OD1 no hydrogen 3.158 N/A LEU 553.A N SER 516.A O no hydrogen 3.185 N/A LYS 556.A N PHE 512.A O no hydrogen 3.038 N/A LYS 556.A NZ THR 549.A O no hydrogen 2.746 N/A LYS 556.A NZ SER 554.A OG no hydrogen 3.158 N/A GLU 558.A N ILE 510.A O no hydrogen 2.867 N/A VAL 560.A N LEU 508.A O no hydrogen 3.106 N/A ILE 562.A N PHE 506.A O no hydrogen 2.729 N/A GLN 563.A N GLU 566.A OE1 no hydrogen 3.148 N/A ALA 564.A N ASP 505.A OD1 no hydrogen 3.029 N/A GLY 565.A N GLN 563.A OE1 no hydrogen 3.264 N/A GLU 566.A N GLN 563.A O no hydrogen 2.760 N/A TYR 567.A N ALA 564.A O no hydrogen 2.987 N/A TYR 567.A OH LYS 504.A O no hydrogen 2.500 N/A MET 568.A N ALA 564.A O no hydrogen 2.764 N/A GLN 570.A N TYR 567.A O no hydrogen 2.773 N/A ALA 575.A N LEU 572.A O no hydrogen 2.818 N/A LEU 577.A N THR 598.A O no hydrogen 2.886 N/A HIS 578.A N ASN 529.A O no hydrogen 2.960 N/A HIS 578.A NE2 GLN 595.A OE1 no hydrogen 2.870 N/A PHE 579.A N LYS 596.A O no hydrogen 2.849 N/A PHE 580.A N SER 527.A O no hydrogen 2.939 N/A VAL 581.A N LYS 594.A O no hydrogen 2.803 N/A THR 582.A N TYR 525.A O no hydrogen 3.224 N/A THR 582.A OG1 GLY 336.A O no hydrogen 2.989 N/A ALA 583.A N LEU 592.A O no hydrogen 2.921 N/A ARG 584.A N THR 523.A O no hydrogen 2.945 N/A ARG 584.A NE ASP 335.A O no hydrogen 3.137 N/A ARG 584.A NH1 ASN 586.A OD1 no hydrogen 3.146 N/A ARG 584.A NH2 ASP 335.A O no hydrogen 3.062 N/A ILE 585.A N ASP 590.A O no hydrogen 2.953 N/A ASN 586.A N THR 521.A O no hydrogen 2.939 N/A ASN 586.A ND2 THR 521.A O no hydrogen 2.761 N/A ASN 586.A ND2 THR 523.A OG1 no hydrogen 2.744 N/A ARG 589.A N ILE 585.A O no hydrogen 2.646 N/A LEU 592.A N ALA 583.A O no hydrogen 2.889 N/A GLN 595.A NE2 TYR 419.A OH no hydrogen 3.023 N/A LYS 596.A N PHE 579.A O no hydrogen 2.838 N/A LYS 596.A NZ ASP 494.A OD1 no hydrogen 3.287 N/A LYS 596.A NZ PHE 495.A O no hydrogen 3.113 N/A SER 597.A OG ASN 349.A OD1 no hydrogen 3.200 N/A THR 598.A N LEU 577.A O no hydrogen 3.043 N/A LEU 600.A N ALA 575.A O no hydrogen 2.886 N/A THR 601.A N ALA 500.A O no hydrogen 2.981 N/A THR 601.A OG1 ALA 500.A O no hydrogen 3.455 N/A ILE 605.A N TYR 691.A O no hydrogen 3.374 N/A ILE 606.A N GLU 624.A O no hydrogen 3.084 N/A LYS 608.A N THR 622.A O no hydrogen 2.817 N/A LYS 608.A NZ GLU 624.A OE1 no hydrogen 3.545 N/A ARG 610.A N THR 620.A O no hydrogen 3.174 N/A ARG 610.A NH2 GLU 665.A OE2 no hydrogen 3.236 N/A THR 612.A OG1 ASP 618.A O no hydrogen 3.139 N/A VAL 614.A N THR 612.A O no hydrogen 2.783 N/A VAL 615.A N GLN 699.A O no hydrogen 2.843 N/A GLY 616.A N PRO 670.A O no hydrogen 2.915 N/A SER 617.A N VAL 614.A O no hydrogen 3.014 N/A MET 619.A N CYS 668.A O no hydrogen 2.830 N/A THR 620.A N ARG 610.A O no hydrogen 3.213 N/A VAL 621.A N GLU 666.A O no hydrogen 2.613 N/A THR 622.A N LYS 608.A O no hydrogen 2.694 N/A THR 622.A OG1 GLU 665.A OE2 no hydrogen 2.943 N/A VAL 623.A N TRP 664.A O no hydrogen 2.618 N/A GLU 624.A N ILE 606.A O no hydrogen 2.909 N/A THR 626.A OG1 THR 661.A OG1 no hydrogen 2.940 N/A ASN 627.A N SER 660.A O no hydrogen 3.213 N/A ASN 627.A ND2 GLU 631.A O no hydrogen 2.799 N/A ASN 627.A ND2 ILE 656.A O no hydrogen 2.942 N/A ASN 627.A ND2 ARG 657.A O no hydrogen 3.016 N/A LEU 629.A N ASN 627.A OD1 no hydrogen 3.053 N/A LYS 630.A NZ ASN 659.A OD1 no hydrogen 3.471 N/A LEU 633.A N ILE 656.A O no hydrogen 3.079 N/A ASN 635.A N ARG 654.A O no hydrogen 2.924 N/A ASN 635.A ND2 ASP 685.A OD2 no hydrogen 3.055 N/A VAL 636.A N PHE 653.A O no hydrogen 2.923 N/A TRP 637.A N SER 683.A O no hydrogen 2.860 N/A VAL 638.A N LYS 651.A O no hydrogen 2.901 N/A HIS 639.A N SER 681.A O no hydrogen 2.847 N/A LEU 640.A N MET 649.A O no hydrogen 2.796 N/A ASP 641.A N ILE 679.A O no hydrogen 2.897 N/A GLY 642.A N ASP 641.A OD1 no hydrogen 2.808 N/A GLY 644.A N GLU 209.A OE2 no hydrogen 3.222 N/A VAL 645.A N GLY 642.A O no hydrogen 3.183 N/A THR 646.A N GLY 642.A O no hydrogen 2.714 N/A THR 646.A OG1 ARG 647.A O no hydrogen 2.757 N/A MET 649.A N LEU 640.A O no hydrogen 2.814 N/A LYS 651.A N VAL 638.A O no hydrogen 3.006 N/A PHE 653.A N VAL 636.A O no hydrogen 2.750 N/A ILE 656.A N LEU 633.A O no hydrogen 2.855 N/A ASN 659.A N ASN 627.A O no hydrogen 2.885 N/A ASN 659.A ND2 ASN 627.A O no hydrogen 3.320 N/A SER 660.A N ARG 657.A O no hydrogen 3.125 N/A SER 660.A OG ARG 657.A O no hydrogen 2.718 N/A THR 661.A OG1 THR 626.A OG1 no hydrogen 2.940 N/A VAL 662.A N PHE 625.A O no hydrogen 2.950 N/A TRP 664.A N VAL 623.A O no hydrogen 2.609 N/A GLU 666.A N VAL 621.A O no hydrogen 2.814 N/A CYS 668.A N MET 619.A O no hydrogen 2.736 N/A TRP 671.A N GLY 644.A O no hydrogen 2.732 N/A GLY 674.A N ILE 698.A O no hydrogen 2.748 N/A HIS 675.A NE2 ASP 695.A OD1 no hydrogen 3.113 N/A ARG 676.A N VAL 696.A O no hydrogen 3.038 N/A ARG 676.A NE HIS 675.A O no hydrogen 2.999 N/A ARG 676.A NH1 ASP 186.A OD1 no hydrogen 3.161 N/A ARG 676.A NH1 PRO 643.A O no hydrogen 3.169 N/A ARG 676.A NH2 ASP 186.A OD1 no hydrogen 3.222 N/A LYS 677.A NZ ASP 450.A OD2 no hydrogen 2.522 N/A LYS 677.A NZ GLU 693.A OE2 no hydrogen 3.327 N/A LEU 678.A N LEU 694.A O no hydrogen 2.866 N/A ILE 679.A N ASP 641.A O no hydrogen 2.762 N/A ALA 680.A N GLY 692.A O no hydrogen 2.583 N/A SER 681.A N HIS 639.A O no hydrogen 3.085 N/A SER 681.A OG ALA 269.A O no hydrogen 2.785 N/A MET 682.A N VAL 690.A O no hydrogen 2.645 N/A SER 683.A N TRP 637.A O no hydrogen 3.038 N/A SER 684.A N LEU 687.A O no hydrogen 2.963 N/A SER 684.A OG LEU 687.A O no hydrogen 2.497 N/A ASP 685.A N ARG 634.A O no hydrogen 3.209 N/A ARG 688.A NH1 ASN 259.A O no hydrogen 3.191 N/A ARG 688.A NH1 GLU 573.A OE1 no hydrogen 3.181 N/A ARG 688.A NH2 SER 684.A O no hydrogen 3.212 N/A TYR 691.A OH SER 268.A O no hydrogen 2.678 N/A GLY 692.A N ALA 680.A O no hydrogen 2.905 N/A LEU 694.A N LEU 678.A O no hydrogen 2.902 N/A ILE 698.A N GLY 674.A O no hydrogen 2.828 N/A GLN 699.A N GLN 613.A O no hydrogen 2.603 N/A GLN 699.A NE2 ILE 698.A O no hydrogen 2.969 N/A