Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nuf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N SER 118.A OG no hydrogen 3.131 N/A GLN 6.A N ILE 42.A O no hydrogen 2.940 N/A SER 7.A N ILE 42.A O no hydrogen 3.168 N/A ASN 9.A N LEU 40.A O no hydrogen 2.906 N/A GLN 11.A NE2 GLN 38.A O no hydrogen 3.227 N/A GLN 11.A NE2 GLN 38.A OE1 no hydrogen 2.910 N/A ASN 15.A N GLN 11.A O no hydrogen 2.867 N/A ASN 15.A ND2 TRP 10.A O no hydrogen 3.010 N/A ASN 15.A ND2 GLN 38.A O no hydrogen 2.805 N/A ARG 16.A N THR 12.A O no hydrogen 2.694 N/A ARG 16.A NE THR 21.A O no hydrogen 3.079 N/A ARG 16.A NH1 SER 26.A O no hydrogen 2.469 N/A ARG 16.A NH1 GLU 28.A O no hydrogen 2.972 N/A ARG 16.A NH2 THR 21.A O no hydrogen 2.841 N/A ARG 16.A NH2 PHE 24.A O no hydrogen 2.698 N/A ARG 16.A NH2 SER 26.A O no hydrogen 3.365 N/A GLN 17.A N ALA 13.A O no hydrogen 3.049 N/A ALA 18.A N PHE 14.A O no hydrogen 3.117 N/A HIS 19.A N ASN 15.A O no hydrogen 2.768 N/A HIS 19.A NE2 ASN 36.A O no hydrogen 2.688 N/A HIS 20.A N GLN 17.A O no hydrogen 3.363 N/A THR 21.A N ARG 16.A O no hydrogen 2.849 N/A THR 21.A OG1 ARG 16.A O no hydrogen 3.395 N/A THR 21.A OG1 ILE 30.A O no hydrogen 2.632 N/A LYS 23.A NZ GLN 156.A O no hydrogen 3.057 N/A SER 25.A N PHE 180.A O no hydrogen 3.033 N/A SER 26.A OG GLU 28.A OE1 no hydrogen 3.174 N/A GLU 28.A N SER 26.A OG no hydrogen 3.039 N/A LEU 31.A N ILE 131.A O no hydrogen 2.591 N/A ARG 32.A N HIS 19.A ND1 no hydrogen 2.838 N/A ARG 32.A NE HIS 19.A O no hydrogen 2.723 N/A ARG 32.A NE HIS 20.A O no hydrogen 3.315 N/A ARG 32.A NH1 PHE 134.A O no hydrogen 2.930 N/A ARG 32.A NH2 HIS 20.A O no hydrogen 2.652 N/A ARG 33.A N LEU 133.A O no hydrogen 2.888 N/A ARG 33.A NE ASP 141.A OD1 no hydrogen 3.066 N/A ARG 33.A NH1 ALA 105.A O no hydrogen 2.972 N/A ARG 33.A NH1 ASN 210.A O no hydrogen 2.942 N/A ARG 33.A NH2 ASP 141.A OD2 no hydrogen 2.980 N/A ARG 33.A NH2 ASN 210.A O no hydrogen 3.552 N/A GLY 34.A N SER 101.A OG no hydrogen 2.799 N/A ASN 36.A ND2 SER 98.A OG no hydrogen 2.685 N/A PHE 37.A N ILE 99.A O no hydrogen 2.902 N/A GLN 38.A N ASN 15.A OD1 no hydrogen 3.074 N/A GLN 38.A NE2 GLN 88.A OE1 no hydrogen 3.239 N/A VAL 39.A N ILE 97.A O no hydrogen 2.854 N/A LEU 40.A N ASN 9.A O no hydrogen 3.028 N/A MET 41.A N LEU 95.A O no hydrogen 2.785 N/A ILE 42.A N SER 7.A O no hydrogen 3.170 N/A MET 43.A N ASN 93.A O no hydrogen 3.109 N/A ASN 44.A N GLY 4.A O no hydrogen 3.059 N/A LYS 45.A NZ GLY 46.A O no hydrogen 2.685 N/A LYS 45.A NZ GLU 51.A OE2 no hydrogen 2.753 N/A GLY 48.A N GLU 51.A OE1 no hydrogen 2.708 N/A GLU 51.A N GLY 48.A O no hydrogen 3.080 N/A ARG 52.A N PHE 117.A O no hydrogen 3.094 N/A GLU 54.A N GLN 115.A O no hydrogen 3.025 N/A PHE 55.A N PHE 73.A O no hydrogen 2.851 N/A ILE 56.A N ALA 113.A O no hydrogen 2.869 N/A VAL 57.A N ALA 71.A O no hydrogen 3.162 N/A SER 58.A N THR 111.A O no hydrogen 3.216 N/A THR 59.A N THR 69.A O no hydrogen 2.827 N/A THR 59.A OG1 ARG 109.A O no hydrogen 2.539 N/A SER 64.A N THR 69.A OG1 no hydrogen 2.865 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.670 N/A ALA 67.A N SER 64.A O no hydrogen 3.115 N/A MET 68.A N GLU 65.A O no hydrogen 3.269 N/A THR 69.A OG1 SER 64.A O no hydrogen 3.307 N/A LYS 70.A NZ GLU 65.A OE1 no hydrogen 3.360 N/A LYS 70.A NZ GLU 65.A OE2 no hydrogen 3.090 N/A ALA 71.A N VAL 57.A O no hydrogen 3.104 N/A PHE 73.A N PHE 55.A O no hydrogen 2.997 N/A LEU 75.A N LEU 53.A O no hydrogen 2.942 N/A SER 76.A N ALA 85.A O no hydrogen 2.747 N/A SER 76.A OG PRO 74.A O no hydrogen 3.307 N/A SER 80.A OG GLY 81.A O no hydrogen 2.994 N/A SER 84.A N SER 100.A O no hydrogen 3.039 N/A SER 84.A OG SER 100.A OG no hydrogen 2.544 N/A VAL 86.A N SER 98.A O no hydrogen 2.806 N/A LEU 87.A N SER 76.A O no hydrogen 2.802 N/A GLN 88.A N THR 96.A O no hydrogen 3.043 N/A ASN 91.A N THR 94.A O no hydrogen 3.063 N/A ASN 93.A ND2 MET 43.A O no hydrogen 3.303 N/A THR 94.A N ASN 91.A O no hydrogen 3.220 N/A LEU 95.A N MET 41.A O no hydrogen 2.703 N/A THR 96.A N ALA 89.A O no hydrogen 2.887 N/A ILE 97.A N VAL 39.A O no hydrogen 2.823 N/A SER 98.A N VAL 86.A O no hydrogen 3.006 N/A ILE 99.A N PHE 37.A O no hydrogen 2.889 N/A SER 100.A N SER 84.A O no hydrogen 3.030 N/A ALA 105.A N PRO 102.A O no hydrogen 2.963 N/A ILE 107.A N ARG 209.A O no hydrogen 2.847 N/A GLY 108.A N LEU 132.A O no hydrogen 3.017 N/A ARG 109.A NH1 GLU 28.A OE2 no hydrogen 3.136 N/A TYR 110.A N PHE 130.A O no hydrogen 2.988 N/A TYR 110.A OH PRO 106.A O no hydrogen 2.587 N/A THR 111.A N SER 58.A O no hydrogen 3.087 N/A MET 112.A N GLY 128.A O no hydrogen 2.757 N/A ALA 113.A N ILE 56.A O no hydrogen 2.818 N/A LEU 114.A N VAL 125.A O no hydrogen 2.961 N/A GLN 115.A N GLU 54.A O no hydrogen 2.847 N/A ILE 116.A N SER 123.A O no hydrogen 2.885 N/A PHE 117.A N ARG 52.A O no hydrogen 2.768 N/A SER 118.A N GLY 121.A O no hydrogen 3.339 N/A SER 118.A OG GLU 51.A OE2 no hydrogen 2.903 N/A GLN 119.A NE2 ALA 1.A O no hydrogen 2.751 N/A GLY 121.A N SER 118.A O no hydrogen 3.341 N/A SER 123.A N ILE 116.A O no hydrogen 3.230 N/A VAL 125.A N LEU 114.A O no hydrogen 3.165 N/A LEU 127.A N MET 112.A O no hydrogen 2.644 N/A GLY 128.A N MET 112.A O no hydrogen 3.192 N/A PHE 130.A N TYR 110.A O no hydrogen 3.368 N/A ILE 131.A N LEU 29.A O no hydrogen 2.982 N/A LEU 132.A N GLY 108.A O no hydrogen 3.116 N/A LEU 133.A N LEU 31.A O no hydrogen 2.662 N/A PHE 134.A N LEU 286.A O no hydrogen 3.103 N/A ASN 135.A N ASP 141.A OD1 no hydrogen 2.798 N/A ASN 135.A ND2 ARG 33.A O no hydrogen 2.994 N/A TRP 137.A N ASN 135.A OD1 no hydrogen 3.274 N/A LEU 138.A N ASN 135.A O no hydrogen 2.842 N/A ASP 141.A N LEU 138.A O no hydrogen 2.807 N/A SER 142.A OG ASP 141.A OD2 no hydrogen 3.469 N/A VAL 143.A N ASP 141.A OD2 no hydrogen 3.095 N/A PHE 144.A N ASP 141.A O no hydrogen 2.688 N/A MET 145.A N PRO 136.A O no hydrogen 2.964 N/A GLU 150.A N ASN 147.A OD1 no hydrogen 2.699 N/A ARG 151.A N ASN 147.A O no hydrogen 2.974 N/A ARG 151.A NE PRO 136.A O no hydrogen 3.413 N/A ARG 151.A NE MET 145.A O no hydrogen 3.256 N/A ARG 151.A NH2 MET 145.A O no hydrogen 3.148 N/A GLU 152.A N HIS 148.A O no hydrogen 2.868 N/A GLU 153.A N ALA 149.A O no hydrogen 3.031 N/A TYR 154.A N GLU 150.A O no hydrogen 2.893 N/A GLN 156.A N GLU 152.A O no hydrogen 3.113 N/A ALA 159.A N GLU 157.A OE1 no hydrogen 2.871 N/A GLY 160.A N TRP 175.A O no hydrogen 2.768 N/A ILE 162.A N ILE 173.A O no hydrogen 2.953 N/A VAL 164.A N GLY 171.A O no hydrogen 2.976 N/A SER 166.A N ARG 169.A O no hydrogen 3.505 N/A ASN 168.A N SER 166.A OG no hydrogen 3.033 N/A ARG 169.A N SER 166.A O no hydrogen 3.058 N/A ARG 169.A N SER 166.A OG no hydrogen 3.383 N/A ARG 169.A NH1 ASP 575.A OD2 no hydrogen 2.925 N/A ARG 169.A NH2 ASP 575.A OD1 no hydrogen 2.477 N/A ARG 169.A NH2 ASP 575.A OD2 no hydrogen 3.506 N/A GLY 171.A N VAL 164.A O no hydrogen 2.918 N/A ILE 173.A N ILE 162.A O no hydrogen 2.888 N/A TRP 175.A N GLY 160.A O no hydrogen 3.005 N/A TRP 175.A NE1 SER 252.A OG no hydrogen 3.044 N/A ASN 176.A N ASP 250.A O no hydrogen 2.763 N/A ASN 176.A ND2 GLU 615.A OE1 no hydrogen 2.888 N/A PHE 177.A N ASP 158.A O no hydrogen 2.997 N/A GLY 178.A N ASP 158.A O no hydrogen 3.314 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.510 N/A GLN 179.A NE2 VAL 155.A O no hydrogen 3.529 N/A GLN 179.A NE2 GLU 157.A O no hydrogen 2.978 N/A GLU 181.A N GLY 178.A O no hydrogen 2.888 N/A ILE 184.A N GLU 181.A O no hydrogen 3.026 N/A ILE 187.A N ASP 183.A O no hydrogen 2.945 N/A CYS 188.A N ILE 184.A O no hydrogen 3.017 N/A CYS 188.A SG ILE 184.A O no hydrogen 3.465 N/A LEU 189.A N LEU 185.A O no hydrogen 3.058 N/A SER 190.A N SER 186.A O no hydrogen 2.941 N/A SER 190.A OG SER 186.A O no hydrogen 3.396 N/A ILE 191.A N ILE 187.A O no hydrogen 2.988 N/A ILE 191.A N CYS 188.A O no hydrogen 3.250 N/A ASP 193.A N SER 190.A O no hydrogen 2.893 N/A ARG 194.A N ILE 191.A O no hydrogen 2.883 N/A SER 195.A OG LEU 192.A O no hydrogen 3.477 N/A PHE 198.A N SER 195.A OG no hydrogen 3.194 N/A ARG 199.A N SER 195.A O no hydrogen 3.140 N/A ARG 199.A N LEU 196.A O no hydrogen 3.197 N/A ARG 200.A N LEU 196.A O no hydrogen 2.947 N/A ASP 201.A N ASN 197.A O no hydrogen 2.880 N/A THR 204.A N ASP 201.A OD2 no hydrogen 2.610 N/A THR 204.A OG1 ASP 201.A OD1 no hydrogen 2.861 N/A THR 204.A OG1 ASP 201.A OD2 no hydrogen 3.295 N/A ASP 205.A N ASP 201.A O no hydrogen 3.136 N/A VAL 206.A N ALA 202.A O no hydrogen 3.076 N/A ALA 207.A N ALA 203.A O no hydrogen 3.280 N/A SER 208.A N THR 204.A O no hydrogen 3.127 N/A SER 208.A N ASP 205.A O no hydrogen 2.951 N/A SER 208.A OG THR 204.A O no hydrogen 2.829 N/A ARG 209.A N VAL 206.A O no hydrogen 3.288 N/A ARG 209.A NE ASP 205.A OD2 no hydrogen 2.928 N/A ARG 209.A NH1 ASP 193.A OD1 no hydrogen 2.895 N/A ARG 209.A NH2 ASP 193.A OD1 no hydrogen 2.622 N/A ARG 209.A NH2 ASP 205.A OD2 no hydrogen 2.732 N/A ASP 211.A N SER 208.A O no hydrogen 3.240 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 2.812 N/A LYS 213.A NZ ASP 211.A OD1 no hydrogen 2.653 N/A LYS 213.A NZ ASP 211.A OD2 no hydrogen 2.549 N/A TYR 214.A OH ASP 205.A OD1 no hydrogen 2.688 N/A VAL 215.A N ASP 211.A O no hydrogen 2.953 N/A GLY 216.A N PRO 212.A O no hydrogen 2.624 N/A ARG 217.A N LYS 213.A O no hydrogen 3.060 N/A ARG 217.A NE GLN 361.A OE1 no hydrogen 3.338 N/A ARG 217.A NH1 GLY 367.A O no hydrogen 2.871 N/A ARG 217.A NH1 ASP 384.A OD2 no hydrogen 3.229 N/A ARG 217.A NH2 SER 360.A OG no hydrogen 2.948 N/A ARG 217.A NH2 GLN 361.A OE1 no hydrogen 2.551 N/A VAL 218.A N TYR 214.A O no hydrogen 2.954 N/A LEU 219.A N VAL 215.A O no hydrogen 3.180 N/A SER 220.A N GLY 216.A O no hydrogen 3.128 N/A SER 220.A OG ARG 217.A O no hydrogen 2.816 N/A SER 220.A OG CYS 366.A O no hydrogen 3.220 N/A ALA 221.A N VAL 218.A O no hydrogen 2.978 N/A MET 222.A N VAL 218.A O no hydrogen 2.967 N/A ILE 223.A N LEU 219.A O no hydrogen 3.108 N/A ASN 224.A ND2 ALA 354.A O no hydrogen 2.757 N/A ASN 224.A ND2 PHE 364.A O no hydrogen 3.334 N/A SER 225.A N LEU 232.A O no hydrogen 2.826 N/A ASN 229.A N SER 225.A O no hydrogen 3.205 N/A ASN 229.A N ASN 226.A O no hydrogen 3.353 N/A ASN 229.A ND2 ARG 194.A O no hydrogen 2.851 N/A LEU 232.A N ILE 223.A O no hydrogen 2.704 N/A ALA 233.A N VAL 267.A O no hydrogen 3.004 N/A ASN 235.A N GLY 270.A O no hydrogen 3.055 N/A ASN 235.A ND2 SER 237.A OG no hydrogen 3.002 N/A TRP 236.A NE1 TYR 508.A OH no hydrogen 2.908 N/A THR 239.A N SER 237.A OG no hydrogen 3.037 N/A GLY 243.A N TYR 240.A O no hydrogen 3.234 N/A ARG 244.A N ARG 268.A O no hydrogen 2.784 N/A ARG 247.A N ASP 245.A OD2 no hydrogen 2.897 N/A SER 248.A N ASP 245.A O no hydrogen 2.783 N/A SER 248.A OG ASP 245.A O no hydrogen 2.885 N/A TRP 249.A NE1 TYR 269.A O no hydrogen 2.815 N/A SER 252.A N ASN 176.A O no hydrogen 2.880 N/A SER 252.A OG GLY 277.A O no hydrogen 2.951 N/A SER 252.A OG THR 281.A OG1 no hydrogen 2.636 N/A LEU 256.A N SER 252.A O no hydrogen 2.907 N/A LYS 257.A N VAL 253.A O no hydrogen 3.108 N/A ASN 258.A N GLU 254.A O no hydrogen 3.005 N/A TRP 259.A N ILE 255.A O no hydrogen 3.078 N/A TRP 259.A NE1 GLY 230.A O no hydrogen 2.827 N/A LYS 260.A N LEU 256.A O no hydrogen 3.225 N/A LYS 260.A NZ ASP 183.A OD1 no hydrogen 2.855 N/A LYS 261.A N LYS 257.A O no hydrogen 2.883 N/A LYS 261.A NZ ASN 258.A OD1 no hydrogen 3.250 N/A SER 262.A N ASN 258.A O no hydrogen 2.797 N/A SER 262.A OG ASN 258.A O no hydrogen 2.791 N/A SER 262.A OG TRP 259.A O no hydrogen 2.695 N/A SER 262.A OG SER 265.A O no hydrogen 3.051 N/A GLY 263.A N LYS 260.A O no hydrogen 2.644 N/A LEU 264.A N TRP 259.A O no hydrogen 2.885 N/A VAL 267.A N VAL 231.A O no hydrogen 2.939 N/A ARG 268.A NH1 TYR 269.A OH no hydrogen 3.183 N/A TYR 269.A N ARG 244.A O no hydrogen 3.055 N/A GLY 270.A N ALA 233.A O no hydrogen 2.807 N/A GLN 271.A NE2 ASN 235.A O no hydrogen 2.965 N/A CYS 272.A N TYR 508.A OH no hydrogen 3.311 N/A CYS 272.A SG TYR 508.A OH no hydrogen 2.842 N/A VAL 274.A N GLN 271.A O no hydrogen 2.756 N/A PHE 275.A N GLN 271.A O no hydrogen 3.357 N/A ALA 276.A N CYS 272.A O no hydrogen 3.053 N/A GLY 277.A N TRP 273.A O no hydrogen 2.783 N/A THR 278.A N VAL 274.A O no hydrogen 3.061 N/A THR 278.A OG1 VAL 274.A O no hydrogen 2.758 N/A LEU 279.A N PHE 275.A O no hydrogen 2.723 N/A ASN 280.A N ALA 276.A O no hydrogen 2.859 N/A THR 281.A N GLY 277.A O no hydrogen 3.258 N/A THR 281.A OG1 PHE 177.A O no hydrogen 2.995 N/A THR 281.A OG1 SER 252.A OG no hydrogen 2.636 N/A THR 281.A OG1 GLY 277.A O no hydrogen 3.249 N/A ALA 282.A N THR 278.A O no hydrogen 3.245 N/A LEU 283.A N LEU 279.A O no hydrogen 2.813 N/A ARG 284.A N ASN 280.A O no hydrogen 2.790 N/A ARG 284.A NE SER 290.A O no hydrogen 2.817 N/A ARG 284.A NH1 GLU 157.A O no hydrogen 2.585 N/A ARG 284.A NH2 SER 290.A O no hydrogen 3.004 N/A SER 285.A N THR 281.A O no hydrogen 2.925 N/A SER 285.A OG THR 281.A O no hydrogen 3.068 N/A SER 285.A OG ALA 282.A O no hydrogen 2.883 N/A LEU 286.A N ALA 282.A O no hydrogen 3.315 N/A GLY 287.A N LEU 283.A O no hydrogen 3.214 N/A GLY 287.A N ARG 284.A O no hydrogen 3.232 N/A ILE 288.A N LEU 283.A O no hydrogen 3.073 N/A SER 290.A N TYR 154.A O no hydrogen 2.912 N/A SER 290.A OG ASN 280.A O no hydrogen 3.548 N/A SER 290.A OG ILE 288.A O no hydrogen 3.227 N/A ARG 291.A N GLU 334.A O no hydrogen 3.441 N/A ARG 291.A NE GLU 334.A OE1 no hydrogen 2.638 N/A ARG 291.A NH1 TYR 154.A OH no hydrogen 3.099 N/A ARG 291.A NH2 GLU 334.A OE1 no hydrogen 2.807 N/A ILE 293.A N TRP 332.A O no hydrogen 2.757 N/A THR 294.A N SER 423.A O no hydrogen 2.833 N/A THR 294.A OG1 PHE 163.A O no hydrogen 2.745 N/A ASN 295.A N HIS 330.A O no hydrogen 2.938 N/A ASN 295.A ND2 SER 298.A OG no hydrogen 3.095 N/A ASN 295.A ND2 GLU 391.A O no hydrogen 3.249 N/A PHE 296.A N ARG 420.A O no hydrogen 3.151 N/A ASN 297.A N ASN 328.A O no hydrogen 2.975 N/A ASN 297.A ND2 THR 417.A O no hydrogen 3.007 N/A SER 298.A N TRP 327.A O no hydrogen 2.958 N/A ALA 299.A N GLU 391.A O no hydrogen 3.423 N/A HIS 300.A N SER 325.A O no hydrogen 2.525 N/A HIS 300.A NE2 GLU 358.A OE1 no hydrogen 3.390 N/A ASP 303.A N ASP 301.A OD2 no hydrogen 3.076 N/A ASN 305.A N ASP 301.A OD1 no hydrogen 3.282 N/A ASN 305.A ND2 ASP 303.A OD1 no hydrogen 2.614 N/A VAL 308.A N ASP 395.A O no hydrogen 3.045 N/A VAL 310.A N ILE 397.A O no hydrogen 3.101 N/A TYR 312.A N TRP 399.A O no hydrogen 3.008 N/A TYR 312.A OH GLU 569.A OE2 no hydrogen 2.619 N/A ASP 313.A N ASN 317.A O no hydrogen 3.043 N/A MET 315.A N ASP 313.A OD1 no hydrogen 2.788 N/A GLY 316.A N ASP 313.A O no hydrogen 2.783 N/A ASN 317.A N ASP 313.A OD1 no hydrogen 3.007 N/A ASN 317.A ND2 ASP 313.A OD2 no hydrogen 3.538 N/A LEU 319.A N TYR 311.A O no hydrogen 3.221 N/A SER 323.A OG GLY 510.A O no hydrogen 3.157 N/A TRP 327.A N SER 298.A O no hydrogen 2.703 N/A ASN 328.A N TYR 508.A O no hydrogen 2.946 N/A ASN 328.A ND2 TYR 508.A O no hydrogen 3.072 N/A ASN 328.A ND2 ASP 571.A OD2 no hydrogen 3.071 N/A HIS 330.A N ASN 295.A O no hydrogen 2.973 N/A HIS 330.A NE2 ASP 353.A OD2 no hydrogen 2.570 N/A TRP 332.A N ILE 293.A O no hydrogen 2.827 N/A TRP 332.A NE1 TYR 439.A OH no hydrogen 3.113 N/A ASN 333.A N LEU 352.A O no hydrogen 2.882 N/A ASN 333.A ND2 ALA 276.A O no hydrogen 2.846 N/A GLU 334.A N ARG 291.A O no hydrogen 3.302 N/A GLY 335.A N GLN 350.A O no hydrogen 2.663 N/A TRP 336.A N PRO 289.A O no hydrogen 2.943 N/A TRP 336.A NE1 PHE 144.A O no hydrogen 2.883 N/A PHE 337.A N GLY 348.A O no hydrogen 3.214 N/A VAL 338.A N SER 142.A O no hydrogen 3.071 N/A ARG 339.A NE ASP 341.A OD1 no hydrogen 2.968 N/A ARG 339.A NH1 GLN 350.A OE1 no hydrogen 2.673 N/A ARG 339.A NH1 PRO 368.A O no hydrogen 3.091 N/A ARG 339.A NH2 ASP 341.A OD2 no hydrogen 3.124 N/A ARG 339.A NH2 ASN 382.A O no hydrogen 2.927 N/A LEU 342.A N ARG 339.A O no hydrogen 2.833 N/A GLY 343.A N ARG 339.A O no hydrogen 2.739 N/A TYR 346.A OH ASP 378.A OD2 no hydrogen 2.969 N/A GLN 350.A N GLY 335.A O no hydrogen 2.695 N/A GLN 350.A NE2 TYR 346.A O no hydrogen 3.204 N/A GLN 350.A NE2 GLY 348.A O no hydrogen 2.925 N/A VAL 351.A N ALA 369.A O no hydrogen 2.930 N/A LEU 352.A N ASN 333.A O no hydrogen 2.920 N/A ASP 353.A N CYS 366.A O no hydrogen 3.252 N/A THR 355.A N ASP 353.A OD1 no hydrogen 2.734 N/A THR 355.A OG1 ASP 353.A OD1 no hydrogen 3.319 N/A ARG 359.A NE GLY 362.A O no hydrogen 3.109 N/A SER 360.A N VAL 363.A O no hydrogen 2.482 N/A SER 360.A OG ASP 384.A OD1 no hydrogen 2.574 N/A VAL 363.A N SER 360.A O no hydrogen 2.690 N/A PHE 364.A N ASP 227.A OD2 no hydrogen 2.939 N/A GLN 365.A NE2 SER 360.A O no hydrogen 2.874 N/A CYS 366.A N SER 220.A OG no hydrogen 2.980 N/A GLY 367.A N ASP 384.A OD2 no hydrogen 2.790 N/A ALA 369.A N VAL 351.A O no hydrogen 3.419 N/A SER 370.A OG TYR 346.A O no hydrogen 3.084 N/A VAL 371.A N TRP 349.A O no hydrogen 3.151 N/A GLY 373.A N SER 370.A OG no hydrogen 3.232 N/A VAL 374.A N SER 370.A O no hydrogen 2.878 N/A ARG 375.A N VAL 371.A O no hydrogen 3.067 N/A ARG 375.A NE GLU 376.A OE2 no hydrogen 3.168 N/A GLU 376.A N GLY 373.A O no hydrogen 2.783 N/A ASP 378.A N GLY 373.A O no hydrogen 3.419 N/A LEU 381.A N ASP 378.A O no hydrogen 3.229 N/A PHE 383.A N PRO 368.A O no hydrogen 2.802 N/A ILE 388.A N ASP 384.A O no hydrogen 3.353 N/A PHE 389.A N MET 385.A O no hydrogen 2.880 N/A ALA 390.A N PRO 386.A O no hydrogen 3.220 N/A GLU 391.A N PHE 387.A O no hydrogen 3.069 N/A VAL 392.A N PHE 389.A O no hydrogen 2.918 N/A ASN 393.A N PHE 389.A O no hydrogen 2.835 N/A ALA 394.A N ALA 390.A O no hydrogen 3.091 N/A ASP 395.A N LEU 306.A O no hydrogen 2.894 N/A ARG 396.A N ASN 414.A O no hydrogen 2.657 N/A ARG 396.A NH2 GLU 569.A OE1 no hydrogen 2.542 N/A ILE 397.A N VAL 308.A O no hydrogen 3.037 N/A THR 398.A N SER 412.A O no hydrogen 2.934 N/A TRP 399.A N VAL 310.A O no hydrogen 2.918 N/A TRP 399.A NE1 ASP 309.A OD1 no hydrogen 3.091 N/A LEU 400.A N TRP 409.A O no hydrogen 2.903 N/A TYR 401.A N TYR 312.A O no hydrogen 2.825 N/A ASP 402.A N LYS 407.A O no hydrogen 3.165 N/A THR 404.A OG1 ASP 402.A OD1 no hydrogen 2.474 N/A THR 405.A N ASP 402.A OD1 no hydrogen 2.984 N/A LYS 407.A N THR 405.A OG1 no hydrogen 3.052 N/A TRP 409.A N LEU 400.A O no hydrogen 2.913 N/A TRP 409.A NE1 GLU 565.A OE2 no hydrogen 2.901 N/A ASN 411.A N THR 398.A O no hydrogen 2.870 N/A ASN 411.A ND2 GLU 565.A O no hydrogen 2.837 N/A SER 412.A OG ASN 411.A OD1 no hydrogen 3.299 N/A ASN 414.A N ARG 396.A O no hydrogen 2.809 N/A GLY 419.A N ASN 297.A O no hydrogen 3.110 N/A ARG 420.A N PHE 296.A O no hydrogen 2.884 N/A ILE 422.A N THR 436.A OG1 no hydrogen 3.257 N/A SER 423.A N THR 294.A O no hydrogen 2.773 N/A SER 423.A OG TYR 421.A O no hydrogen 2.816 N/A THR 424.A N MET 433.A O no hydrogen 3.118 N/A THR 424.A OG1 VAL 292.A O no hydrogen 2.790 N/A LYS 425.A NZ GLU 153.A OE1 no hydrogen 2.838 N/A LYS 425.A NZ ALA 426.A O no hydrogen 2.977 N/A LYS 425.A NZ SER 429.A O no hydrogen 3.084 N/A ALA 426.A N ALA 431.A O no hydrogen 3.077 N/A GLY 428.A N GLU 153.A OE2 no hydrogen 2.919 N/A SER 429.A N ALA 426.A O no hydrogen 3.375 N/A ALA 431.A N SER 429.A OG no hydrogen 3.354 N/A ARG 432.A NH1 SER 423.A OG no hydrogen 2.833 N/A ARG 432.A NH1 ASP 434.A OD2 no hydrogen 3.374 N/A MET 433.A N THR 424.A O no hydrogen 2.938 N/A VAL 435.A N ILE 422.A O no hydrogen 2.842 N/A THR 436.A N ASP 434.A OD1 no hydrogen 2.893 N/A THR 436.A OG1 ASP 434.A OD1 no hydrogen 2.714 N/A THR 436.A OG1 ASP 434.A OD2 no hydrogen 3.371 N/A LYS 438.A N VAL 435.A O no hydrogen 3.131 N/A TYR 439.A N THR 436.A O no hydrogen 2.966 N/A TYR 439.A OH GLU 334.A OE2 no hydrogen 2.583 N/A LYS 440.A N THR 436.A O no hydrogen 3.226 N/A LYS 440.A NZ VAL 392.A O no hydrogen 2.660 N/A LYS 440.A NZ GLY 419.A O no hydrogen 2.734 N/A TYR 441.A OH GLU 376.A OE1 no hydrogen 3.293 N/A TYR 441.A OH GLU 376.A OE2 no hydrogen 2.450 N/A SER 445.A OG PRO 442.A O no hydrogen 2.403 N/A GLU 448.A N SER 445.A OG no hydrogen 3.368 N/A ARG 449.A N SER 445.A O no hydrogen 3.443 N/A ARG 449.A NH1 ASP 446.A OD2 no hydrogen 2.667 N/A ARG 449.A NH2 ASP 446.A OD2 no hydrogen 2.685 N/A GLN 450.A N ASP 446.A O no hydrogen 2.876 N/A VAL 451.A N GLN 447.A O no hydrogen 2.846 N/A PHE 452.A N GLU 448.A O no hydrogen 2.885 N/A GLN 453.A N ARG 449.A O no hydrogen 2.829 N/A LYS 454.A N GLN 450.A O no hydrogen 2.743 N/A LYS 454.A NZ GLU 376.A O no hydrogen 2.740 N/A LYS 454.A NZ ASP 378.A OD1 no hydrogen 2.486 N/A ALA 455.A N VAL 451.A O no hydrogen 2.750 N/A LEU 456.A N PHE 452.A O no hydrogen 2.996 N/A GLY 457.A N GLN 453.A O no hydrogen 2.821 N/A LYS 458.A N LYS 454.A O no hydrogen 3.050 N/A LYS 458.A N ALA 455.A O no hydrogen 3.013 N/A LEU 459.A N ALA 455.A O no hydrogen 2.887 N/A LYS 460.A N LEU 456.A O no hydrogen 2.788 N/A SER 464.A OG SER 491.A OG no hydrogen 3.426 N/A SER 464.A OG GLU 563.A OE2 no hydrogen 3.241 N/A ILE 466.A N LYS 488.A O no hydrogen 3.273 N/A LYS 468.A N LEU 486.A O no hydrogen 3.028 N/A LYS 470.A N VAL 484.A O no hydrogen 3.020 N/A ALA 472.A N ASN 482.A O no hydrogen 3.111 N/A VAL 477.A N ASP 575.A O no hydrogen 2.848 N/A GLY 478.A N TYR 542.A OH no hydrogen 3.157 N/A LYS 479.A N ALA 476.A O no hydrogen 2.916 N/A LYS 479.A NZ MET 474.A O no hydrogen 2.940 N/A VAL 481.A N ILE 537.A O no hydrogen 2.612 N/A ASN 482.A ND2 GLU 480.A OE2 no hydrogen 2.880 N/A LEU 483.A N ILE 535.A O no hydrogen 2.698 N/A VAL 484.A N LYS 470.A O no hydrogen 3.056 N/A LEU 485.A N HIS 533.A O no hydrogen 2.668 N/A LEU 486.A N LYS 468.A O no hydrogen 2.788 N/A LEU 487.A N ALA 531.A O no hydrogen 3.345 N/A ASN 489.A ND2 SER 464.A O no hydrogen 2.674 N/A ASN 489.A ND2 SER 491.A OG no hydrogen 2.964 N/A LEU 490.A N SER 464.A O no hydrogen 2.808 N/A SER 491.A OG SER 464.A OG no hydrogen 3.426 N/A THR 494.A N ASP 493.A OD1 no hydrogen 2.590 N/A THR 494.A OG1 ASP 526.A OD1 no hydrogen 2.678 N/A VAL 497.A N MET 523.A O no hydrogen 2.773 N/A THR 498.A N LYS 559.A O no hydrogen 3.042 N/A VAL 499.A N ALA 521.A O no hydrogen 2.717 N/A ASN 500.A N VAL 557.A O no hydrogen 2.958 N/A MET 501.A N ASP 519.A O no hydrogen 2.744 N/A THR 502.A N THR 555.A O no hydrogen 3.214 N/A THR 502.A OG1 GLY 316.A O no hydrogen 2.494 N/A ALA 503.A N TRP 517.A O no hydrogen 2.630 N/A TRP 504.A N ARG 553.A O no hydrogen 2.887 N/A TRP 504.A NE1 ASN 317.A OD1 no hydrogen 2.925 N/A THR 505.A N HIS 514.A O no hydrogen 2.925 N/A THR 505.A OG1 HIS 514.A O no hydrogen 3.269 N/A THR 505.A OG1 TYR 545.A O no hydrogen 3.006 N/A ILE 506.A N MET 551.A O no hydrogen 3.166 N/A ILE 507.A N THR 511.A O no hydrogen 3.176 N/A TYR 508.A N ASP 549.A OD1 no hydrogen 3.065 N/A GLY 510.A N ILE 507.A O no hydrogen 2.859 N/A THR 511.A OG1 TRP 236.A O no hydrogen 3.404 N/A THR 511.A OG1 ASN 509.A OD1 no hydrogen 3.025 N/A VAL 513.A N THR 505.A O no hydrogen 2.910 N/A HIS 514.A ND1 GLU 515.A O no hydrogen 2.703 N/A VAL 516.A N ALA 503.A O no hydrogen 2.863 N/A ASP 519.A N MET 501.A O no hydrogen 2.829 N/A ALA 521.A N VAL 499.A O no hydrogen 3.089 N/A MET 523.A N VAL 497.A O no hydrogen 2.873 N/A SER 524.A OG LYS 495.A O no hydrogen 3.255 N/A ASP 526.A N GLU 529.A OE2 no hydrogen 2.634 N/A GLU 529.A N ASP 526.A O no hydrogen 2.642 N/A ALA 531.A N LEU 487.A O no hydrogen 2.904 N/A HIS 533.A N LEU 485.A O no hydrogen 2.878 N/A ILE 535.A N LEU 483.A O no hydrogen 2.637 N/A LYS 536.A NZ ASN 482.A OD1 no hydrogen 2.697 N/A ILE 537.A N VAL 481.A O no hydrogen 2.969 N/A SER 538.A N GLN 541.A OE1 no hydrogen 3.057 N/A SER 538.A OG GLN 541.A OE1 no hydrogen 3.543 N/A GLN 541.A N SER 538.A OG no hydrogen 3.015 N/A TYR 542.A N SER 538.A O no hydrogen 3.184 N/A TYR 542.A N TYR 539.A O no hydrogen 2.970 N/A TYR 542.A OH LYS 479.A O no hydrogen 2.476 N/A GLU 543.A N TYR 539.A O no hydrogen 2.662 N/A TYR 545.A N TYR 542.A O no hydrogen 2.832 N/A LEU 546.A N TYR 542.A O no hydrogen 2.867 N/A SER 548.A OG ASP 245.A OD1 no hydrogen 3.122 N/A SER 548.A OG ASP 245.A OD2 no hydrogen 3.085 N/A ASN 550.A N LYS 547.A O no hydrogen 2.796 N/A ASN 550.A ND2 LYS 547.A O no hydrogen 3.049 N/A ILE 552.A N ILE 572.A O no hydrogen 3.173 N/A ARG 553.A N TRP 504.A O no hydrogen 2.575 N/A ARG 553.A NH1 SER 323.A O no hydrogen 3.001 N/A ARG 553.A NH2 ASP 571.A OD1 no hydrogen 3.157 N/A ILE 554.A N ARG 570.A O no hydrogen 2.904 N/A THR 555.A N THR 502.A O no hydrogen 3.079 N/A ALA 556.A N VAL 568.A O no hydrogen 2.878 N/A VAL 557.A N ASN 500.A O no hydrogen 2.907 N/A CYS 558.A N VAL 566.A O no hydrogen 3.042 N/A CYS 558.A SG ALA 556.A O no hydrogen 4.046 N/A LYS 559.A N THR 498.A O no hydrogen 2.959 N/A LYS 559.A NZ GLU 563.A O no hydrogen 2.820 N/A GLU 563.A N VAL 560.A O no hydrogen 2.937 N/A GLU 565.A N GLU 565.A OE1 no hydrogen 2.485 N/A VAL 566.A N CYS 558.A O no hydrogen 2.695 N/A VAL 568.A N ALA 556.A O no hydrogen 2.866 N/A ARG 570.A N ILE 554.A O no hydrogen 3.041 N/A ARG 570.A NE ASP 571.A O no hydrogen 3.363 N/A ILE 572.A N ILE 552.A O no hydrogen 2.906 N/A LEU 574.A N ASN 550.A O no hydrogen 2.887 N/A ASP 575.A N LEU 475.A O no hydrogen 3.259 N/A THR 580.A N LEU 598.A O no hydrogen 2.836 N/A GLU 582.A N GLN 596.A O no hydrogen 2.979 N/A LEU 584.A N ASN 594.A O no hydrogen 2.957 N/A ARG 588.A NE GLU 675.A O no hydrogen 3.456 N/A ARG 588.A NH2 GLU 675.A O no hydrogen 3.210 N/A VAL 589.A N ALA 674.A O no hydrogen 2.952 N/A ARG 590.A N PRO 645.A O no hydrogen 3.026 N/A LYS 591.A N ARG 588.A O no hydrogen 3.146 N/A VAL 593.A N ILE 643.A O no hydrogen 3.097 N/A ASN 594.A N ASN 585.A OD1 no hydrogen 3.240 N/A VAL 595.A N PHE 641.A O no hydrogen 2.852 N/A GLN 596.A N GLU 582.A O no hydrogen 2.935 N/A MET 597.A N VAL 639.A O no hydrogen 2.760 N/A LEU 598.A N THR 580.A O no hydrogen 2.768 N/A PHE 599.A N SER 637.A O no hydrogen 2.991 N/A ASN 601.A N GLU 635.A O no hydrogen 2.960 N/A ASN 601.A ND2 GLU 605.A O no hydrogen 2.846 N/A ASN 601.A ND2 LEU 631.A O no hydrogen 3.630 N/A ASN 601.A ND2 GLY 632.A O no hydrogen 3.303 N/A LEU 603.A N ASN 601.A OD1 no hydrogen 3.161 N/A VAL 607.A N LEU 631.A O no hydrogen 3.152 N/A ARG 608.A N ASN 660.A OD1 no hydrogen 2.565 N/A CYS 610.A SG VAL 607.A O no hydrogen 3.535 N/A CYS 610.A SG ARG 608.A O no hydrogen 3.655 N/A CYS 610.A SG PRO 629.A O no hydrogen 4.037 N/A VAL 611.A N SER 658.A O no hydrogen 2.958 N/A LEU 612.A N ILE 626.A O no hydrogen 2.657 N/A MET 613.A N ASP 656.A O no hydrogen 2.824 N/A VAL 614.A N LEU 624.A O no hydrogen 2.896 N/A GLU 615.A N LEU 654.A O no hydrogen 2.995 N/A SER 617.A OG ASN 176.A OD1 no hydrogen 2.739 N/A LEU 619.A N GLY 616.A O no hydrogen 2.952 N/A LEU 620.A N GLY 616.A O no hydrogen 2.916 N/A ASN 623.A N GLU 254.A OE2 no hydrogen 2.990 N/A LEU 624.A N VAL 614.A O no hydrogen 2.783 N/A LYS 625.A NZ ASP 627.A OD1 no hydrogen 3.433 N/A ILE 626.A N LEU 612.A O no hydrogen 2.853 N/A VAL 628.A N CYS 610.A O no hydrogen 2.822 N/A LEU 631.A N VAL 607.A O no hydrogen 3.250 N/A GLU 635.A N GLY 632.A O no hydrogen 3.253 N/A SER 637.A N PHE 599.A O no hydrogen 2.611 N/A VAL 639.A N MET 597.A O no hydrogen 2.963 N/A PHE 641.A N VAL 595.A O no hydrogen 2.990 N/A ILE 643.A N VAL 593.A O no hydrogen 3.243 N/A SER 646.A N GLY 618.A O no hydrogen 2.750 N/A SER 646.A OG GLY 618.A O no hydrogen 3.460 N/A SER 648.A OG GLU 675.A OE1 no hydrogen 2.994 N/A SER 648.A OG GLU 675.A OE2 no hydrogen 3.159 N/A GLY 649.A N VAL 673.A O no hydrogen 2.981 N/A LYS 651.A N ILE 671.A O no hydrogen 2.807 N/A GLN 652.A NE2 GLY 160.A O no hydrogen 3.004 N/A LEU 653.A N LEU 669.A O no hydrogen 3.013 N/A LEU 654.A N GLU 615.A O no hydrogen 2.983 N/A ALA 655.A N ALA 667.A O no hydrogen 2.908 N/A ASP 656.A N MET 613.A O no hydrogen 2.807 N/A PHE 657.A N ILE 665.A O no hydrogen 2.837 N/A SER 658.A N VAL 611.A O no hydrogen 3.153 N/A SER 658.A OG ASP 656.A OD2 no hydrogen 2.754 N/A CYS 659.A N PHE 662.A O no hydrogen 3.207 N/A CYS 659.A SG PHE 662.A O no hydrogen 3.875 N/A ASN 660.A N ARG 608.A O no hydrogen 3.194 N/A LYS 661.A NZ GLU 605.A OE2 no hydrogen 3.210 N/A PHE 662.A N CYS 659.A O no hydrogen 2.857 N/A ALA 664.A N SER 658.A OG no hydrogen 3.166 N/A ILE 665.A N PHE 657.A O no hydrogen 2.959 N/A LYS 666.A NZ ARG 247.A O no hydrogen 3.203 N/A LYS 666.A NZ SER 248.A O no hydrogen 2.840 N/A LYS 666.A NZ TRP 249.A O no hydrogen 3.478 N/A LYS 666.A NZ ASP 250.A OD1 no hydrogen 2.991 N/A LYS 666.A NZ ASP 656.A OD1 no hydrogen 2.416 N/A ALA 667.A N ALA 655.A O no hydrogen 3.057 N/A LEU 669.A N LEU 653.A O no hydrogen 2.936 N/A ILE 671.A N LYS 651.A O no hydrogen 2.883 N/A VAL 673.A N GLY 649.A O no hydrogen 2.879 N/A ALA 674.A N ALA 587.A O no hydrogen 2.750 N/A