Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N SER 192.A O no hydrogen 3.483 N/A ASN 2.A N LYS 195.A O no hydrogen 3.175 N/A ASN 2.A ND2 SER 194.A O no hydrogen 2.677 N/A ASN 2.A ND2 LYS 195.A O no hydrogen 3.174 N/A PHE 3.A N ASN 227.A O no hydrogen 2.728 N/A ILE 4.A N ALA 197.A O no hydrogen 2.802 N/A GLY 6.A N PHE 199.A O no hydrogen 2.906 N/A ILE 7.A N ASN 42.A O no hydrogen 2.865 N/A HIS 8.A N ASP 201.A O no hydrogen 2.778 N/A ASN 9.A N HIS 44.A O no hydrogen 2.868 N/A HIS 10.A N GLU 204.A OE2 no hydrogen 3.462 N/A HIS 10.A ND1 SER 46.A OG no hydrogen 2.665 N/A HIS 10.A NE2 ASP 328.A OD2 no hydrogen 3.077 N/A ASN 15.A N PRO 12.A O no hydrogen 3.094 N/A PHE 20.A N PHE 16.A O no hydrogen 3.023 N/A GLU 21.A N GLY 17.A O no hydrogen 2.958 N/A GLU 22.A N TRP 18.A O no hydrogen 2.985 N/A ALA 23.A N VAL 19.A O no hydrogen 3.147 N/A TYR 24.A N PHE 20.A O no hydrogen 3.015 N/A ASN 25.A N GLU 21.A O no hydrogen 2.891 N/A ARG 26.A N GLU 22.A O no hydrogen 2.627 N/A ARG 26.A NH1 GLY 207.A O no hydrogen 2.579 N/A SER 27.A N ALA 23.A O no hydrogen 2.883 N/A SER 27.A OG ALA 23.A O no hydrogen 3.051 N/A TYR 28.A N ALA 23.A O no hydrogen 3.119 N/A TYR 28.A OH GLU 204.A OE2 no hydrogen 2.340 N/A ARG 29.A N TYR 24.A O no hydrogen 2.744 N/A PHE 31.A N SER 27.A O no hydrogen 2.881 N/A ILE 33.A N PRO 30.A O no hydrogen 2.883 N/A LEU 34.A N PHE 31.A O no hydrogen 2.797 N/A PHE 37.A N LEU 34.A O no hydrogen 3.201 N/A VAL 41.A N GLN 72.A O no hydrogen 2.712 N/A ASN 42.A N PHE 5.A O no hydrogen 2.857 N/A ASN 42.A ND2 PHE 5.A O no hydrogen 2.792 N/A VAL 43.A N GLU 74.A O no hydrogen 3.197 N/A HIS 44.A N ILE 7.A O no hydrogen 3.125 N/A HIS 44.A ND1 VAL 76.A O no hydrogen 3.030 N/A HIS 44.A NE2 GLU 82.A OE1 no hydrogen 2.898 N/A SER 46.A N ASN 9.A O no hydrogen 2.930 N/A SER 46.A OG HIS 10.A ND1 no hydrogen 2.665 N/A GLY 47.A N PHE 80.A O no hydrogen 2.803 N/A LEU 49.A N SER 46.A OG no hydrogen 3.418 N/A LEU 50.A N SER 46.A O no hydrogen 2.904 N/A GLU 51.A N GLY 47.A O no hydrogen 2.825 N/A TRP 52.A N PRO 48.A O no hydrogen 3.196 N/A ILE 53.A N LEU 49.A O no hydrogen 2.828 N/A GLU 54.A N LEU 50.A O no hydrogen 2.801 N/A GLU 55.A N GLU 51.A O no hydrogen 3.031 N/A ASN 56.A N TRP 52.A O no hydrogen 2.756 N/A ASN 56.A ND2 TRP 52.A O no hydrogen 3.252 N/A LYS 57.A N ILE 53.A O no hydrogen 2.699 N/A LYS 57.A NZ TYR 24.A OH no hydrogen 3.552 N/A LYS 57.A NZ ASP 59.A OD2 no hydrogen 2.484 N/A TYR 60.A N LYS 57.A O no hydrogen 2.982 N/A TYR 60.A OH TYR 28.A O no hydrogen 2.990 N/A LEU 61.A N PRO 58.A O no hydrogen 2.908 N/A ASP 62.A N ASP 59.A O no hydrogen 3.069 N/A LEU 63.A N ASP 59.A O no hydrogen 3.225 N/A LEU 64.A N TYR 60.A O no hydrogen 3.154 N/A ARG 65.A N LEU 61.A O no hydrogen 3.140 N/A ARG 65.A NE LYS 105.A O no hydrogen 3.311 N/A ARG 65.A NH2 LYS 105.A O no hydrogen 3.385 N/A SER 66.A N ASP 62.A O no hydrogen 3.020 N/A LEU 67.A N LEU 63.A O no hydrogen 3.061 N/A ILE 68.A N LEU 64.A O no hydrogen 2.848 N/A LYS 69.A N ARG 65.A O no hydrogen 2.876 N/A ARG 70.A N SER 66.A O no hydrogen 2.890 N/A ARG 70.A N LEU 67.A O no hydrogen 3.238 N/A GLY 71.A N ILE 68.A O no hydrogen 2.934 N/A GLN 72.A N LEU 67.A O no hydrogen 2.711 N/A GLN 72.A NE2 LEU 34.A O no hydrogen 2.712 N/A GLN 72.A NE2 PHE 37.A O no hydrogen 3.005 N/A GLU 74.A N VAL 41.A O no hydrogen 3.294 N/A VAL 76.A N VAL 43.A O no hydrogen 2.707 N/A VAL 77.A N GLY 112.A O no hydrogen 2.889 N/A PHE 80.A N GLN 96.A O no hydrogen 2.811 N/A TYR 81.A N GLN 96.A OE1 no hydrogen 3.084 N/A GLU 82.A N GLY 79.A O no hydrogen 2.986 N/A ALA 87.A N VAL 84.A O no hydrogen 2.621 N/A LYS 90.A NZ GLU 130.A OE2 no hydrogen 3.300 N/A ASP 92.A N PRO 89.A O no hydrogen 2.797 N/A ARG 93.A N PRO 89.A O no hydrogen 3.190 N/A ARG 93.A NE LEU 85.A O no hydrogen 2.729 N/A ARG 93.A NE ILE 88.A O no hydrogen 3.199 N/A ARG 93.A NH1 SER 127.A OG no hydrogen 3.050 N/A ARG 93.A NH2 ILE 88.A O no hydrogen 3.397 N/A GLN 96.A N ASP 92.A O no hydrogen 2.760 N/A GLN 96.A NE2 LEU 322.A O no hydrogen 2.872 N/A GLN 96.A NE2 GLN 325.A OE1 no hydrogen 2.737 N/A ILE 97.A N ARG 93.A O no hydrogen 2.661 N/A GLU 98.A N LEU 94.A O no hydrogen 2.907 N/A LYS 100.A N ILE 97.A O no hydrogen 2.741 N/A LYS 100.A NZ ALA 131.A O no hydrogen 2.970 N/A ASP 101.A N GLU 98.A O no hydrogen 2.896 N/A TYR 102.A OH GLU 54.A OE2 no hydrogen 2.731 N/A ALA 103.A N LEU 99.A O no hydrogen 3.023 N/A ARG 104.A N LYS 100.A O no hydrogen 3.338 N/A LYS 105.A N ASP 101.A O no hydrogen 3.134 N/A LYS 105.A NZ ASP 101.A OD1 no hydrogen 3.015 N/A LEU 106.A N ALA 103.A O no hydrogen 2.835 N/A GLY 107.A N ARG 104.A O no hydrogen 2.765 N/A TYR 108.A N ALA 103.A O no hydrogen 3.024 N/A TYR 108.A OH SER 231.A OG no hydrogen 3.308 N/A LYS 111.A NZ ALA 110.A O no hydrogen 3.209 N/A VAL 113.A N TYR 135.A O no hydrogen 3.044 N/A TRP 114.A N VAL 77.A O no hydrogen 2.797 N/A THR 116.A OG1 GLU 82.A OE2 no hydrogen 2.580 N/A ARG 118.A N LEU 115.A O no hydrogen 2.853 N/A ARG 118.A NE ASP 139.A OD2 no hydrogen 2.590 N/A ARG 118.A NH2 ASP 139.A OD2 no hydrogen 3.250 N/A VAL 119.A N THR 116.A O no hydrogen 3.325 N/A TRP 120.A N ALA 248.A O no hydrogen 3.142 N/A GLU 123.A N GLN 121.A O no hydrogen 2.521 N/A LEU 124.A N GLN 121.A O no hydrogen 3.114 N/A LEU 128.A N LEU 124.A O no hydrogen 2.786 N/A ARG 129.A N VAL 125.A O no hydrogen 2.936 N/A ARG 129.A NE VAL 164.A O no hydrogen 2.754 N/A GLU 130.A N LYS 126.A O no hydrogen 3.036 N/A ALA 131.A N SER 127.A O no hydrogen 2.834 N/A GLY 132.A N ARG 129.A O no hydrogen 2.961 N/A ILE 133.A N LEU 128.A O no hydrogen 2.798 N/A GLU 134.A N LYS 111.A O no hydrogen 2.785 N/A TYR 135.A N LYS 111.A O no hydrogen 3.343 N/A TYR 135.A OH GLU 74.A OE2 no hydrogen 2.939 N/A VAL 136.A N THR 166.A O no hydrogen 2.774 N/A VAL 137.A N VAL 113.A O no hydrogen 3.262 N/A VAL 138.A N PHE 168.A O no hydrogen 2.770 N/A ASP 139.A N HIS 142.A ND1 no hydrogen 2.867 N/A ASP 140.A N ILE 170.A O no hydrogen 3.200 N/A TYR 141.A OH SER 253.A OG no hydrogen 3.208 N/A TYR 141.A OH VAL 285.A O no hydrogen 3.231 N/A HIS 142.A NE2 ARG 118.A O no hydrogen 2.753 N/A ALA 145.A N PHE 143.A O no hydrogen 3.100 N/A LEU 147.A N PHE 143.A O no hydrogen 3.467 N/A SER 148.A OG GLU 151.A OE2 no hydrogen 3.246 N/A GLU 151.A N SER 148.A O no hydrogen 2.526 N/A LEU 152.A N LYS 149.A O no hydrogen 3.183 N/A TYR 156.A N VAL 167.A O no hydrogen 2.931 N/A TYR 156.A OH GLU 151.A O no hydrogen 2.555 N/A TYR 157.A N GLY 241.A O no hydrogen 2.985 N/A THR 158.A N ILE 165.A O no hydrogen 3.056 N/A THR 158.A OG1 VAL 243.A O no hydrogen 2.815 N/A ASP 160.A N GLU 163.A O no hydrogen 3.090 N/A ILE 165.A N THR 158.A O no hydrogen 3.051 N/A THR 166.A N GLU 134.A O no hydrogen 3.156 N/A THR 166.A OG1 GLU 134.A O no hydrogen 3.497 N/A VAL 167.A N TYR 156.A O no hydrogen 2.693 N/A PHE 168.A N VAL 136.A O no hydrogen 2.925 N/A ASP 171.A N VAL 198.A O no hydrogen 3.260 N/A LYS 173.A N ASP 171.A OD1 no hydrogen 2.554 N/A LYS 173.A NZ ASP 171.A OD1 no hydrogen 3.222 N/A LYS 173.A NZ ASP 171.A OD2 no hydrogen 2.847 N/A ARG 175.A NH1 ASP 139.A OD1 no hydrogen 3.246 N/A ARG 175.A NH2 GLU 252.A OE1 no hydrogen 2.511 N/A TYR 176.A N LYS 173.A O no hydrogen 2.537 N/A TYR 176.A OH GLU 252.A OE2 no hydrogen 3.392 N/A LEU 177.A N LYS 173.A O no hydrogen 2.718 N/A ILE 178.A N LEU 174.A O no hydrogen 2.712 N/A LYS 184.A NZ LEU 177.A O no hydrogen 3.224 N/A LYS 184.A NZ PHE 180.A O no hydrogen 2.601 N/A LYS 185.A NZ GLU 224.A OE2 no hydrogen 2.601 N/A THR 186.A N VAL 183.A O no hydrogen 2.627 N/A ILE 187.A N VAL 183.A O no hydrogen 3.226 N/A GLU 188.A N LYS 184.A O no hydrogen 2.571 N/A TYR 189.A N LYS 185.A O no hydrogen 2.739 N/A LEU 190.A N THR 186.A O no hydrogen 2.490 N/A SER 192.A N TYR 189.A O no hydrogen 3.270 N/A SER 192.A OG GLU 191.A O no hydrogen 2.531 N/A LYS 195.A NZ GLU 191.A O no hydrogen 2.840 N/A VAL 196.A N PHE 153.A O no hydrogen 2.715 N/A PHE 199.A N ILE 4.A O no hydrogen 2.832 N/A HIS 200.A ND1 TYR 230.A OH no hydrogen 2.499 N/A HIS 200.A NE2 ILE 7.A O no hydrogen 3.210 N/A ASP 201.A N GLY 6.A O no hydrogen 3.358 N/A ASP 202.A N ASP 201.A OD1 no hydrogen 2.619 N/A GLY 203.A N HIS 8.A O no hydrogen 3.080 N/A LYS 205.A NZ ARG 175.A O no hydrogen 3.051 N/A LYS 205.A NZ ILE 178.A O no hydrogen 2.972 N/A LYS 205.A NZ ASP 201.A OD2 no hydrogen 2.975 N/A PHE 206.A N GLY 203.A O no hydrogen 2.700 N/A GLY 207.A N THR 212.A OG1 no hydrogen 2.908 N/A VAL 208.A N GLU 204.A O no hydrogen 2.866 N/A TRP 209.A N GLU 204.A O no hydrogen 3.055 N/A THR 212.A N TRP 209.A O no hydrogen 3.155 N/A THR 212.A OG1 LYS 205.A O no hydrogen 3.221 N/A THR 212.A OG1 TRP 209.A O no hydrogen 3.302 N/A ARG 216.A NH1 GLU 36.A OE2 no hydrogen 2.447 N/A PHE 218.A N TRP 214.A O no hydrogen 2.887 N/A PHE 219.A N LEU 215.A O no hydrogen 2.912 N/A ALA 221.A N GLU 217.A O no hydrogen 3.129 N/A ILE 222.A N PHE 218.A O no hydrogen 3.007 N/A THR 223.A N PHE 219.A O no hydrogen 2.972 N/A THR 223.A OG1 PHE 219.A O no hydrogen 2.809 N/A ASN 227.A N ILE 1.A O no hydrogen 3.014 N/A THR 229.A OG1 ASN 42.A OD1 no hydrogen 2.495 N/A THR 229.A OG1 GLU 74.A OE1 no hydrogen 2.921 N/A TYR 230.A N ASN 42.A OD1 no hydrogen 3.031 N/A TYR 230.A OH HIS 200.A ND1 no hydrogen 2.499 N/A SER 231.A N GLU 74.A OE1 no hydrogen 2.801 N/A SER 231.A OG GLU 74.A OE2 no hydrogen 2.310 N/A SER 231.A OG TYR 108.A OH no hydrogen 3.308 N/A TYR 233.A N THR 229.A O no hydrogen 2.995 N/A LEU 234.A N TYR 230.A O no hydrogen 3.011 N/A SER 235.A N TYR 233.A O no hydrogen 2.646 N/A SER 235.A OG SER 231.A O no hydrogen 3.475 N/A SER 235.A OG GLU 232.A O no hydrogen 2.402 N/A LYS 236.A N TYR 233.A O no hydrogen 2.892 N/A PHE 237.A N TYR 233.A O no hydrogen 2.963 N/A THR 238.A OG1 PRO 239.A O no hydrogen 3.517 N/A ARG 240.A N PRO 155.A O no hydrogen 2.507 N/A VAL 243.A N TYR 157.A O no hydrogen 2.719 N/A TYR 244.A OH GLU 159.A OE2 no hydrogen 2.697 N/A SER 249.A OG GLU 117.A O no hydrogen 2.832 N/A TYR 250.A OH GLU 117.A OE1 no hydrogen 2.758 N/A SER 253.A OG TYR 141.A OH no hydrogen 3.208 N/A SER 253.A OG PHE 251.A O no hydrogen 3.122 N/A GLU 254.A N GLU 252.A O no hydrogen 3.352 N/A LEU 257.A N GLU 254.A O no hydrogen 3.076 N/A ALA 262.A N PRO 258.A O no hydrogen 2.923 N/A LYS 263.A N ALA 259.A O no hydrogen 2.980 N/A LYS 263.A NZ GLU 267.A OE2 no hydrogen 2.887 N/A LEU 264.A N LYS 260.A O no hydrogen 2.973 N/A PHE 265.A N GLN 261.A O no hydrogen 2.808 N/A VAL 266.A N ALA 262.A O no hydrogen 2.970 N/A GLU 267.A N LYS 263.A O no hydrogen 3.254 N/A PHE 268.A N LEU 264.A O no hydrogen 3.114 N/A VAL 269.A N PHE 265.A O no hydrogen 3.018 N/A VAL 269.A N VAL 266.A O no hydrogen 3.046 N/A GLU 270.A N VAL 266.A O no hydrogen 2.792 N/A GLN 271.A N GLU 267.A O no hydrogen 2.625 N/A LEU 272.A N PHE 268.A O no hydrogen 3.185 N/A LYS 273.A N VAL 269.A O no hydrogen 3.092 N/A GLU 274.A N GLU 270.A O no hydrogen 2.797 N/A GLU 275.A N GLN 271.A O no hydrogen 3.047 N/A GLY 276.A N LYS 273.A O no hydrogen 2.609 N/A LYS 277.A N LEU 272.A O no hydrogen 2.939 N/A LYS 277.A NZ GLU 275.A OE1 no hydrogen 3.407 N/A ARG 282.A N PHE 278.A O no hydrogen 2.864 N/A PHE 284.A N TYR 281.A O no hydrogen 2.630 N/A VAL 285.A N ARG 282.A O no hydrogen 2.508 N/A ARG 286.A NH1 VAL 283.A O no hydrogen 2.854 N/A GLY 288.A N SER 253.A O no hydrogen 2.862 N/A LYS 291.A NZ ALA 86.A O no hydrogen 3.537 N/A ASN 292.A N ILE 289.A O no hydrogen 2.798 N/A PHE 293.A N TRP 290.A O no hydrogen 2.847 N/A PHE 294.A N LYS 291.A O no hydrogen 3.305 N/A PHE 295.A N ASN 292.A O no hydrogen 3.034 N/A LYS 296.A N ASN 292.A O no hydrogen 2.911 N/A LYS 296.A NZ TRP 255.A O no hydrogen 2.636 N/A LYS 296.A NZ LEU 257.A O no hydrogen 2.732 N/A TYR 297.A N PHE 293.A O no hydrogen 2.729 N/A TYR 297.A OH GLU 414.A OE1 no hydrogen 3.382 N/A TYR 297.A OH GLU 414.A OE2 no hydrogen 2.913 N/A SER 300.A N TYR 297.A O no hydrogen 2.863 N/A SER 300.A OG TYR 330.A O no hydrogen 2.552 N/A ASN 301.A N TYR 297.A O no hydrogen 3.191 N/A ASN 301.A ND2 ASP 368.A O no hydrogen 2.766 N/A PHE 302.A N PRO 298.A O no hydrogen 2.906 N/A HIS 303.A NE2 ALA 87.A O no hydrogen 2.885 N/A LYS 304.A N ASN 301.A O no hydrogen 2.826 N/A LYS 304.A NZ ASN 301.A OD1 no hydrogen 3.061 N/A LYS 304.A NZ HIS 303.A ND1 no hydrogen 2.672 N/A ARG 305.A N PHE 302.A O no hydrogen 2.860 N/A ARG 305.A NE GLU 395.A OE1 no hydrogen 2.779 N/A ARG 305.A NH1 GLN 355.A OE1 no hydrogen 3.436 N/A ARG 305.A NH2 GLN 355.A OE1 no hydrogen 3.010 N/A ARG 305.A NH2 GLU 395.A OE1 no hydrogen 3.503 N/A ARG 305.A NH2 GLU 395.A OE2 no hydrogen 3.031 N/A SER 308.A OG ASP 92.A OD1 no hydrogen 2.594 N/A LYS 309.A N LEU 306.A O no hydrogen 3.286 N/A ARG 312.A N LYS 309.A O no hydrogen 3.456 N/A ARG 312.A NH1 GLU 91.A OE1 no hydrogen 2.638 N/A ARG 312.A NH2 SER 308.A OG no hydrogen 2.917 N/A ASN 314.A N VAL 311.A O no hydrogen 2.982 N/A ALA 317.A N ASN 314.A OD1 no hydrogen 3.398 N/A ARG 318.A N ASN 314.A O no hydrogen 2.693 N/A ARG 318.A NE ASP 92.A OD2 no hydrogen 3.097 N/A ARG 318.A NH2 ASP 92.A OD2 no hydrogen 3.244 N/A LYS 319.A N PRO 315.A O no hydrogen 3.194 N/A ILE 321.A N ALA 317.A O no hydrogen 3.134 N/A LEU 322.A N ARG 318.A O no hydrogen 2.983 N/A LEU 322.A N LYS 319.A O no hydrogen 3.173 N/A LYS 323.A N LYS 319.A O no hydrogen 3.216 N/A LYS 323.A N TYR 320.A O no hydrogen 2.952 N/A ALA 324.A N TYR 320.A O no hydrogen 3.218 N/A GLN 325.A N LEU 322.A O no hydrogen 3.208 N/A GLN 325.A NE2 ASP 92.A OD1 no hydrogen 2.751 N/A CYS 326.A N LYS 323.A O no hydrogen 3.110 N/A CYS 326.A SG ASP 328.A OD2 no hydrogen 3.336 N/A ASN 327.A N GLU 82.A O no hydrogen 2.742 N/A ASN 327.A ND2 GLU 82.A O no hydrogen 3.052 N/A TYR 330.A N ASN 327.A O no hydrogen 3.054 N/A TYR 330.A OH ALA 324.A O no hydrogen 2.710 N/A TRP 331.A NE1 ASN 327.A OD1 no hydrogen 2.725 N/A HIS 332.A ND1 PHE 335.A O no hydrogen 2.713 N/A HIS 332.A NE2 TYR 416.A OH no hydrogen 2.755 N/A ILE 338.A N TRP 331.A O no hydrogen 2.828 N/A TYR 339.A N GLY 336.A O no hydrogen 3.080 N/A TYR 339.A OH GLU 414.A OE2 no hydrogen 2.689 N/A LEU 340.A N GLY 337.A O no hydrogen 3.025 N/A HIS 342.A ND1 GLY 14.A O no hydrogen 3.022 N/A LEU 343.A N LEU 340.A O no hydrogen 2.952 N/A ARG 344.A N LEU 340.A O no hydrogen 3.410 N/A ARG 344.A NE ILE 338.A O no hydrogen 3.208 N/A ARG 344.A NH2 ILE 338.A O no hydrogen 3.532 N/A ARG 344.A NH2 GLN 593.A OE1 no hydrogen 2.489 N/A ARG 345.A N PRO 341.A O no hydrogen 2.719 N/A THR 346.A N HIS 342.A O no hydrogen 3.240 N/A THR 346.A OG1 HIS 342.A O no hydrogen 2.885 N/A TRP 348.A N ARG 344.A O no hydrogen 3.191 N/A GLU 349.A N ARG 345.A O no hydrogen 3.030 N/A ASN 350.A N THR 346.A O no hydrogen 3.189 N/A ILE 351.A N VAL 347.A O no hydrogen 2.945 N/A ILE 352.A N TRP 348.A O no hydrogen 3.061 N/A LYS 353.A N GLU 349.A O no hydrogen 2.744 N/A LYS 353.A NZ GLU 349.A OE2 no hydrogen 3.380 N/A ALA 354.A N ASN 350.A O no hydrogen 3.057 N/A GLN 355.A N ILE 351.A O no hydrogen 3.272 N/A GLN 355.A N ILE 352.A O no hydrogen 3.037 N/A ARG 356.A N LYS 353.A O no hydrogen 3.434 N/A ARG 356.A NE LYS 399.A O no hydrogen 3.243 N/A ARG 356.A NH2 LYS 399.A O no hydrogen 2.715 N/A LEU 358.A N GLN 355.A O no hydrogen 3.208 N/A GLU 361.A N GLU 377.A OE1 no hydrogen 3.517 N/A LEU 365.A N GLU 374.A O no hydrogen 3.305 N/A VAL 367.A N GLU 374.A OE1 no hydrogen 2.878 N/A ASP 370.A N ASP 366.A OD1 no hydrogen 3.042 N/A GLY 371.A N ASP 366.A OD2 no hydrogen 2.906 N/A ARG 372.A N ASP 370.A OD1 no hydrogen 2.847 N/A GLU 374.A N LEU 365.A O no hydrogen 2.790 N/A ILE 375.A N ILE 385.A O no hydrogen 2.897 N/A GLU 377.A N ASN 362.A OD1 no hydrogen 2.736 N/A ASN 378.A N PHE 381.A O no hydrogen 3.054 N/A ASN 378.A ND2 THR 510.A O no hydrogen 3.309 N/A GLY 380.A N ASN 378.A OD1 no hydrogen 2.791 N/A PHE 381.A N ASN 378.A OD1 no hydrogen 2.765 N/A ILE 382.A N SER 397.A O no hydrogen 3.263 N/A ALA 383.A N VAL 376.A O no hydrogen 2.770 N/A THR 384.A N GLU 395.A O no hydrogen 2.881 N/A THR 384.A OG1 GLU 395.A OE1 no hydrogen 2.574 N/A ILE 385.A N ILE 375.A O no hydrogen 2.741 N/A LYS 386.A N SER 392.A O no hydrogen 2.899 N/A LYS 386.A NZ ASP 368.A OD1 no hydrogen 3.154 N/A LYS 386.A NZ GLU 374.A OE2 no hydrogen 3.129 N/A LYS 386.A NZ HIS 388.A NE2 no hydrogen 3.210 N/A HIS 388.A N HIS 388.A ND1 no hydrogen 2.751 N/A HIS 388.A NE2 ASP 370.A OD2 no hydrogen 3.127 N/A TYR 389.A N LYS 386.A O no hydrogen 2.615 N/A GLY 390.A N GLN 475.A O no hydrogen 2.711 N/A GLY 391.A N PRO 387.A O no hydrogen 3.264 N/A SER 392.A N TYR 389.A O no hydrogen 3.290 N/A SER 392.A OG TYR 389.A O no hydrogen 3.554 N/A SER 392.A OG LEU 447.A O no hydrogen 3.083 N/A ILE 393.A N ILE 446.A O no hydrogen 2.929 N/A PHE 394.A N THR 384.A O no hydrogen 2.701 N/A GLU 395.A N THR 384.A O no hydrogen 3.118 N/A LEU 396.A N ASN 404.A OD1 no hydrogen 3.402 N/A SER 397.A N ILE 382.A O no hydrogen 2.995 N/A SER 397.A OG GLU 395.A OE2 no hydrogen 2.363 N/A SER 398.A N VAL 403.A O no hydrogen 2.740 N/A SER 398.A OG GLU 614.A OE1 no hydrogen 3.517 N/A SER 398.A OG GLU 614.A OE2 no hydrogen 2.456 N/A LYS 399.A N GLY 380.A O no hydrogen 3.022 N/A LYS 399.A NZ GLU 377.A OE2 no hydrogen 2.822 N/A LYS 399.A NZ PHE 381.A O no hydrogen 3.369 N/A LYS 401.A N SER 398.A OG no hydrogen 2.817 N/A LYS 401.A NZ TYR 405.A OH no hydrogen 2.505 N/A ALA 402.A N SER 398.A O no hydrogen 2.514 N/A TYR 405.A N LEU 396.A O no hydrogen 3.003 N/A TYR 405.A OH GLU 614.A OE2 no hydrogen 2.380 N/A ASN 406.A N ASN 404.A OD1 no hydrogen 2.899 N/A ASN 406.A ND2 PHE 394.A O no hydrogen 2.928 N/A ASN 406.A ND2 ARG 444.A O no hydrogen 3.314 N/A ASP 407.A N ASN 404.A O no hydrogen 2.791 N/A VAL 408.A N ASN 406.A O no hydrogen 2.595 N/A ARG 411.A N ASP 440.A OD2 no hydrogen 2.914 N/A ARG 411.A NE ASP 440.A OD2 no hydrogen 2.749 N/A ARG 411.A NH1 ARG 462.A O no hydrogen 3.147 N/A ARG 411.A NH2 ASP 440.A OD1 no hydrogen 2.723 N/A ARG 411.A NH2 ASP 440.A OD2 no hydrogen 3.561 N/A ARG 411.A NH2 ARG 462.A O no hydrogen 3.284 N/A ARG 412.A NH1 GLU 299.A OE1 no hydrogen 2.922 N/A ARG 412.A NH2 GLU 299.A OE2 no hydrogen 3.012 N/A GLU 414.A N HIS 417.A ND1 no hydrogen 3.221 N/A HIS 415.A NE2 GLU 254.A OE2 no hydrogen 2.473 N/A TYR 416.A OH HIS 332.A NE2 no hydrogen 2.755 N/A HIS 417.A N GLU 414.A O no hydrogen 2.805 N/A HIS 417.A ND1 TYR 439.A OH no hydrogen 2.580 N/A HIS 417.A NE2 LEU 581.A O no hydrogen 2.586 N/A ALA 422.A N PRO 420.A O no hydrogen 2.606 N/A LYS 427.A NZ GLN 583.A OE1 no hydrogen 3.248 N/A ILE 433.A N PRO 430.A O no hydrogen 2.614 N/A ARG 434.A N PRO 430.A O no hydrogen 3.043 N/A ARG 434.A NH1 ILE 429.A O no hydrogen 3.175 N/A ARG 435.A N GLU 431.A O no hydrogen 2.867 N/A ARG 435.A NH1 GLU 431.A OE2 no hydrogen 2.531 N/A ARG 435.A NH2 GLU 431.A OE2 no hydrogen 3.187 N/A GLU 436.A N ILE 433.A O no hydrogen 2.680 N/A LEU 437.A N ARG 434.A O no hydrogen 3.309 N/A TYR 439.A OH HIS 417.A ND1 no hydrogen 2.580 N/A ASP 440.A N ARG 411.A O no hydrogen 2.937 N/A GLN 442.A NE2 LEU 443.A O no hydrogen 3.425 N/A GLN 442.A NE2 GLU 533.A OE1 no hydrogen 2.677 N/A LEU 443.A N TYR 389.A OH no hydrogen 2.928 N/A ARG 444.A NE ASP 440.A OD2 no hydrogen 3.134 N/A ARG 444.A NH1 GLU 533.A OE2 no hydrogen 2.915 N/A ARG 444.A NH1 ASN 535.A OD1 no hydrogen 2.984 N/A ARG 444.A NH2 ASP 440.A OD1 no hydrogen 2.722 N/A ILE 446.A N ILE 393.A O no hydrogen 2.988 N/A LEU 447.A N GLU 533.A O no hydrogen 2.591 N/A GLN 448.A N GLU 533.A O no hydrogen 2.860 N/A GLN 448.A NE2 LEU 443.A O no hydrogen 2.521 N/A HIS 450.A N GLY 531.A O no hydrogen 2.753 N/A HIS 450.A ND1 GLU 468.A OE1 no hydrogen 3.062 N/A HIS 450.A NE2 GLU 533.A OE1 no hydrogen 3.020 N/A PHE 451.A N GLU 468.A OE2 no hydrogen 3.006 N/A ILE 452.A N LEU 529.A O no hydrogen 2.863 N/A GLU 456.A N LYS 453.A O no hydrogen 2.729 N/A THR 457.A N GLU 456.A OE2 no hydrogen 3.174 N/A ASN 460.A N THR 457.A O no hydrogen 3.117 N/A ASN 460.A N THR 457.A OG1 no hydrogen 3.191 N/A ASN 460.A ND2 GLU 456.A OE2 no hydrogen 3.139 N/A TYR 461.A N THR 457.A O no hydrogen 3.079 N/A ARG 462.A N LEU 458.A O no hydrogen 2.567 N/A ARG 462.A NE ASP 459.A OD1 no hydrogen 3.096 N/A ARG 462.A NH1 GLU 436.A OE1 no hydrogen 2.320 N/A ARG 462.A NH2 GLU 436.A OE2 no hydrogen 2.817 N/A ARG 462.A NH2 ASP 459.A OD1 no hydrogen 3.401 N/A LEU 463.A N ASP 459.A O no hydrogen 3.204 N/A LYS 465.A N ASN 460.A O no hydrogen 2.829 N/A HIS 467.A N GLU 456.A OE1 no hydrogen 3.417 N/A LEU 469.A N PHE 451.A O no hydrogen 2.637 N/A GLY 470.A N GLU 468.A OE2 no hydrogen 3.020 N/A TYR 477.A N PRO 387.A O no hydrogen 2.843 N/A TYR 477.A OH ASP 449.A OD2 no hydrogen 2.810 N/A TYR 477.A OH PHE 472.A O no hydrogen 3.291 N/A GLU 478.A N TRP 488.A O no hydrogen 2.810 N/A GLU 480.A N LYS 486.A O no hydrogen 3.075 N/A VAL 485.A N ILE 507.A O no hydrogen 2.778 N/A LYS 486.A N GLU 480.A O no hydrogen 3.097 N/A LYS 486.A NZ GLU 504.A OE1 no hydrogen 2.733 N/A LEU 487.A N LYS 505.A O no hydrogen 2.883 N/A TRP 488.A N GLU 478.A O no hydrogen 3.060 N/A ARG 489.A N VAL 503.A O no hydrogen 3.168 N/A ARG 489.A NE ASP 471.A O no hydrogen 2.931 N/A ARG 489.A NH1 PRO 476.A O no hydrogen 3.129 N/A ARG 489.A NH2 ASP 471.A OD2 no hydrogen 3.080 N/A GLY 492.A N ASP 471.A OD1 no hydrogen 2.701 N/A VAL 493.A N ILE 499.A O no hydrogen 3.324 N/A ALA 495.A N GLU 497.A O no hydrogen 3.348 N/A LYS 498.A NZ TYR 494.A OH no hydrogen 3.206 N/A ALA 501.A N GLY 491.A O no hydrogen 3.011 N/A VAL 503.A N ARG 489.A O no hydrogen 3.153 N/A GLU 504.A N ARG 519.A O no hydrogen 2.776 N/A LYS 505.A N LEU 487.A O no hydrogen 3.186 N/A LYS 505.A NZ GLY 390.A O no hydrogen 2.831 N/A LYS 505.A NZ GLY 391.A O no hydrogen 3.209 N/A LYS 505.A NZ LEU 447.A O no hydrogen 2.894 N/A LYS 506.A N LYS 517.A O no hydrogen 3.048 N/A ILE 507.A N VAL 485.A O no hydrogen 2.950 N/A GLU 508.A N ILE 515.A O no hydrogen 3.152 N/A LEU 509.A N ASN 483.A O no hydrogen 3.183 N/A THR 510.A N GLY 513.A O no hydrogen 2.548 N/A THR 510.A OG1 ASP 512.A OD1 no hydrogen 2.950 N/A ASP 512.A N THR 510.A OG1 no hydrogen 3.424 N/A GLY 513.A N THR 510.A O no hydrogen 3.124 N/A PHE 514.A N PHE 612.A O no hydrogen 3.119 N/A ILE 515.A N GLU 508.A O no hydrogen 3.244 N/A ALA 516.A N VAL 610.A O no hydrogen 2.845 N/A LYS 517.A N LYS 506.A O no hydrogen 3.359 N/A TYR 518.A N PHE 608.A O no hydrogen 2.914 N/A TYR 518.A OH ASP 449.A OD1 no hydrogen 2.471 N/A ARG 519.A N GLU 504.A O no hydrogen 2.821 N/A VAL 520.A N LEU 606.A O no hydrogen 2.903 N/A LEU 521.A N ARG 502.A O no hydrogen 3.453 N/A LEU 522.A N LYS 604.A O no hydrogen 2.910 N/A GLU 523.A N PRO 500.A O no hydrogen 3.090 N/A LYS 524.A NZ GLU 497.A OE2 no hydrogen 2.625 N/A TYR 526.A N GLU 603.A O no hydrogen 2.732 N/A LYS 527.A NZ GLU 603.A OE1 no hydrogen 2.666 N/A LYS 527.A NZ GLU 603.A OE2 no hydrogen 2.638 N/A ALA 528.A N ILE 602.A O no hydrogen 3.101 N/A LEU 529.A N ILE 452.A O no hydrogen 2.898 N/A PHE 530.A N PHE 600.A O no hydrogen 2.685 N/A GLY 531.A N HIS 450.A O no hydrogen 2.965 N/A GLU 533.A N GLN 448.A O no hydrogen 2.756 N/A ILE 534.A N TYR 597.A O no hydrogen 3.105 N/A ASN 535.A N ALA 445.A O no hydrogen 3.199 N/A ASN 535.A ND2 ALA 445.A O no hydrogen 2.822 N/A LEU 536.A N VAL 595.A O no hydrogen 3.037 N/A HIS 539.A N ASP 556.A OD2 no hydrogen 2.751 N/A SER 540.A N ASP 556.A OD1 no hydrogen 3.090 N/A SER 540.A OG ASP 556.A OD1 no hydrogen 2.558 N/A SER 540.A OG PRO 557.A O no hydrogen 2.312 N/A GLU 545.A N LYS 575.A O no hydrogen 2.924 N/A PHE 547.A N VAL 573.A O no hydrogen 3.156 N/A ALA 549.A N ALA 571.A O no hydrogen 3.110 N/A PHE 552.A N ILE 565.A O no hydrogen 3.152 N/A VAL 554.A N VAL 563.A O no hydrogen 2.935 N/A ASP 556.A N GLY 561.A O no hydrogen 3.262 N/A GLY 559.A N ASP 556.A O no hydrogen 2.678 N/A ILE 560.A N ASP 556.A OD2 no hydrogen 3.043 N/A VAL 563.A N VAL 554.A O no hydrogen 3.251 N/A ARG 564.A N ARG 613.A O no hydrogen 2.800 N/A ILE 565.A N PHE 552.A O no hydrogen 2.970 N/A GLU 566.A N ARG 611.A O no hydrogen 2.878 N/A LEU 567.A N LYS 550.A O no hydrogen 2.844 N/A LYS 569.A NZ GLU 607.A O no hydrogen 2.762 N/A ALA 571.A N ALA 549.A O no hydrogen 2.837 N/A LYS 572.A N LEU 599.A O no hydrogen 2.902 N/A VAL 573.A N PHE 547.A O no hydrogen 2.774 N/A TRP 574.A N THR 598.A O no hydrogen 2.960 N/A LYS 575.A N GLU 545.A O no hydrogen 3.088 N/A LYS 575.A NZ GLU 542.A OE2 no hydrogen 2.742 N/A LYS 575.A NZ GLU 545.A OE2 no hydrogen 2.883 N/A PHE 576.A N SER 596.A O no hydrogen 3.037 N/A ILE 578.A N GLY 594.A O no hydrogen 2.940 N/A THR 580.A N ILE 591.A O no hydrogen 3.044 N/A SER 582.A N ASP 589.A O no hydrogen 2.467 N/A SER 582.A OG GLN 583.A O no hydrogen 3.398 N/A GLN 583.A NE2 GLY 333.A O no hydrogen 3.265 N/A SER 584.A OG GLY 587.A O no hydrogen 3.082 N/A GLY 587.A N SER 584.A OG no hydrogen 3.140 N/A TRP 588.A NE1 LYS 427.A O no hydrogen 2.908 N/A ASP 589.A N SER 582.A O no hydrogen 2.447 N/A ILE 591.A N THR 580.A O no hydrogen 2.905 N/A GLN 592.A NE2 VAL 538.A O no hydrogen 3.340 N/A GLN 592.A NE2 VAL 541.A O no hydrogen 2.809 N/A GLN 593.A N ILE 578.A O no hydrogen 2.786 N/A GLN 593.A NE2 TYR 339.A O no hydrogen 2.938 N/A VAL 595.A N LEU 536.A O no hydrogen 2.955 N/A SER 596.A N PHE 576.A O no hydrogen 3.035 N/A SER 596.A OG GLU 533.A OE2 no hydrogen 2.442 N/A TYR 597.A N ILE 534.A O no hydrogen 3.088 N/A THR 598.A N TRP 574.A O no hydrogen 2.901 N/A THR 598.A OG1 TYR 461.A OH no hydrogen 3.390 N/A PHE 600.A N PHE 530.A O no hydrogen 2.667 N/A ILE 602.A N ALA 528.A O no hydrogen 2.809 N/A PHE 608.A N TYR 518.A O no hydrogen 3.312 N/A THR 609.A N ASP 568.A OD1 no hydrogen 2.768 N/A VAL 610.A N ALA 516.A O no hydrogen 2.957 N/A ARG 611.A N GLU 566.A O no hydrogen 3.055 N/A PHE 612.A N PHE 514.A O no hydrogen 2.802 N/A ARG 613.A N ARG 564.A O no hydrogen 2.793 N/A ARG 613.A NE GLU 566.A OE1 no hydrogen 3.002 N/A ARG 613.A NH1 ASP 512.A OD2 no hydrogen 2.586 N/A GLU 614.A N ASP 512.A O no hydrogen 2.837 N/A LEU 615.A N LYS 562.A O no hydrogen 2.660 N/A