Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ojw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N SER 3.A OG no hydrogen 3.311 N/A LYS 7.A N SER 3.A O no hydrogen 2.836 N/A MET 8.A N PHE 4.A O no hydrogen 2.825 N/A LYS 9.A N VAL 5.A O no hydrogen 3.048 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.202 N/A LYS 9.A NZ GLU 62.A OE2 no hydrogen 2.691 N/A LYS 10.A N GLU 6.A O no hydrogen 3.071 N/A THR 11.A OG1 LYS 7.A O no hydrogen 3.440 N/A THR 11.A OG1 MET 8.A O no hydrogen 3.425 N/A GLY 12.A N LYS 9.A O no hydrogen 3.025 N/A ARG 13.A N MET 8.A O no hydrogen 2.880 N/A ARG 13.A NE THR 11.A O no hydrogen 3.028 N/A ARG 13.A NH1 GLY 44.A O no hydrogen 3.141 N/A ARG 13.A NH1 GLU 289.A O no hydrogen 2.997 N/A ARG 13.A NH2 THR 11.A O no hydrogen 3.268 N/A ARG 13.A NH2 GLU 289.A O no hydrogen 2.695 N/A ASN 14.A N ARG 43.A O no hydrogen 2.928 N/A ASN 14.A ND2 LYS 65.A O no hydrogen 2.742 N/A ILE 15.A N ARG 43.A O no hydrogen 3.175 N/A ILE 16.A N LEU 67.A O no hydrogen 3.027 N/A VAL 17.A N MET 45.A O no hydrogen 2.847 N/A PHE 18.A N VAL 69.A O no hydrogen 2.805 N/A TYR 19.A N ALA 47.A O no hydrogen 3.059 N/A GLY 20.A N ALA 71.A O no hydrogen 2.760 N/A SER 21.A N ASN 83.A OD1 no hydrogen 3.075 N/A GLU 27.A N SER 21.A OG no hydrogen 3.366 N/A GLU 28.A N GLY 24.A O no hydrogen 3.145 N/A PHE 29.A N THR 25.A O no hydrogen 3.230 N/A ALA 30.A N ALA 26.A O no hydrogen 2.944 N/A ASN 31.A N GLU 27.A O no hydrogen 2.906 N/A ARG 32.A N GLU 28.A O no hydrogen 2.901 N/A ARG 32.A NE GLU 28.A OE2 no hydrogen 2.782 N/A ARG 32.A NH1 GLU 148.A OE2 no hydrogen 2.769 N/A ARG 32.A NH2 GLU 28.A OE1 no hydrogen 2.797 N/A ARG 32.A NH2 GLU 28.A OE2 no hydrogen 3.362 N/A ARG 32.A NH2 GLU 148.A OE1 no hydrogen 3.081 N/A ARG 32.A NH2 GLU 148.A OE2 no hydrogen 3.137 N/A LEU 33.A N PHE 29.A O no hydrogen 2.869 N/A SER 34.A N ALA 30.A O no hydrogen 2.916 N/A LYS 35.A N ASN 31.A O no hydrogen 3.049 N/A LYS 35.A NZ GLN 179.A OE1 no hydrogen 3.546 N/A ASP 36.A N ARG 32.A O no hydrogen 2.909 N/A ALA 37.A N LEU 33.A O no hydrogen 3.401 N/A HIS 38.A N LYS 35.A O no hydrogen 3.299 N/A ARG 39.A N ASP 36.A O no hydrogen 2.731 N/A ARG 39.A NE ASP 36.A OD2 no hydrogen 3.293 N/A TYR 40.A N ALA 37.A O no hydrogen 3.056 N/A GLY 41.A N HIS 38.A O no hydrogen 3.026 N/A MET 42.A N ALA 37.A O no hydrogen 2.959 N/A ARG 43.A N ASN 14.A OD1 no hydrogen 3.133 N/A ARG 43.A NH1 ASP 287.A OD1 no hydrogen 2.988 N/A MET 45.A N ILE 15.A O no hydrogen 3.010 N/A SER 46.A OG ASN 31.A OD1 no hydrogen 3.026 N/A ALA 47.A N VAL 17.A O no hydrogen 2.664 N/A GLU 50.A N ASP 48.A OD1 no hydrogen 2.895 N/A GLU 51.A N ASP 48.A O no hydrogen 2.906 N/A TYR 52.A N PRO 49.A O no hydrogen 2.930 N/A ALA 55.A N ASP 53.A OD1 no hydrogen 3.228 N/A ASP 56.A N ASP 53.A O no hydrogen 2.899 N/A LEU 57.A N LEU 54.A O no hydrogen 2.946 N/A SER 58.A N ALA 55.A O no hydrogen 3.240 N/A SER 59.A N ASP 56.A O no hydrogen 2.858 N/A LEU 60.A N LEU 57.A O no hydrogen 2.954 N/A GLU 62.A N SER 59.A O no hydrogen 3.001 N/A ILE 63.A N LEU 60.A O no hydrogen 2.875 N/A SER 66.A OG LEU 60.A O no hydrogen 3.012 N/A SER 66.A OG ILE 63.A O no hydrogen 2.769 N/A LEU 67.A N ASN 14.A O no hydrogen 2.791 N/A VAL 68.A N LYS 102.A O no hydrogen 2.976 N/A VAL 69.A N ILE 16.A O no hydrogen 2.890 N/A PHE 70.A N ALA 104.A O no hydrogen 2.971 N/A ALA 71.A N PHE 18.A O no hydrogen 2.874 N/A MET 72.A N PHE 106.A O no hydrogen 3.075 N/A ALA 73.A N GLY 20.A O no hydrogen 2.932 N/A THR 74.A N LEU 108.A O no hydrogen 3.076 N/A TYR 75.A N ASP 79.A O no hydrogen 2.638 N/A GLY 78.A N TYR 75.A O no hydrogen 2.803 N/A ASP 79.A N GLY 76.A O no hydrogen 3.183 N/A THR 81.A OG1 ASN 83.A OD1 no hydrogen 2.617 N/A CYS 82.A N GLN 22.A OE1 no hydrogen 2.864 N/A CYS 82.A SG GLN 22.A OE1 no hydrogen 3.315 N/A ASN 83.A ND2 TYR 19.A O no hydrogen 2.690 N/A ASN 83.A ND2 ASP 48.A OD1 no hydrogen 3.134 N/A ALA 84.A N THR 81.A O no hydrogen 2.966 N/A GLN 85.A N CYS 82.A O no hydrogen 3.253 N/A GLN 85.A NE2 LYS 446.A O no hydrogen 2.638 N/A TYR 88.A N ALA 84.A O no hydrogen 2.874 N/A ASP 89.A N GLN 85.A O no hydrogen 2.850 N/A TRP 90.A N ASP 86.A O no hydrogen 2.897 N/A LEU 91.A N PHE 87.A O no hydrogen 2.904 N/A GLN 92.A N TYR 88.A O no hydrogen 3.177 N/A GLN 92.A NE2 TYR 88.A O no hydrogen 3.385 N/A GLU 93.A N ASP 89.A O no hydrogen 3.242 N/A GLU 93.A N TRP 90.A O no hydrogen 3.063 N/A THR 94.A N TRP 90.A O no hydrogen 2.889 N/A VAL 96.A N THR 94.A OG1 no hydrogen 3.164 N/A LEU 98.A N LEU 130.A O no hydrogen 2.799 N/A THR 99.A N ASP 97.A OD1 no hydrogen 3.127 N/A THR 99.A OG1 ASP 97.A OD1 no hydrogen 2.670 N/A THR 99.A OG1 ASP 97.A OD2 no hydrogen 3.508 N/A VAL 101.A N LEU 98.A O no hydrogen 2.982 N/A LYS 102.A NZ GLY 100.A O no hydrogen 2.997 N/A PHE 103.A N GLN 133.A O no hydrogen 2.903 N/A ALA 104.A N VAL 68.A O no hydrogen 3.281 N/A PHE 106.A N PHE 70.A O no hydrogen 2.764 N/A GLY 107.A N GLY 139.A O no hydrogen 2.785 N/A LEU 108.A N MET 72.A O no hydrogen 2.820 N/A GLY 109.A N GLY 141.A O no hydrogen 3.076 N/A LYS 111.A N ASP 142.A OD1 no hydrogen 3.160 N/A LYS 111.A NZ ASP 142.A OD2 no hydrogen 3.429 N/A THR 112.A N ASN 110.A OD1 no hydrogen 2.811 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 2.555 N/A TYR 113.A N ASN 110.A O no hydrogen 3.023 N/A TYR 113.A OH SER 609.A O no hydrogen 3.311 N/A TYR 113.A OH SER 609.A OXT no hydrogen 2.945 N/A ALA 118.A N HIS 115.A O no hydrogen 3.285 N/A MET 119.A N THR 74.A OG1 no hydrogen 2.907 N/A LYS 121.A N ASN 117.A O no hydrogen 2.975 N/A LYS 121.A NZ PHE 116.A O no hydrogen 3.111 N/A TYR 122.A N ALA 118.A O no hydrogen 2.852 N/A VAL 123.A N MET 119.A O no hydrogen 2.967 N/A ASP 124.A N GLY 120.A O no hydrogen 3.077 N/A GLN 125.A N LYS 121.A O no hydrogen 3.068 N/A GLN 125.A NE2 TYR 122.A O no hydrogen 3.442 N/A GLN 125.A NE2 GLN 129.A OE1 no hydrogen 3.451 N/A ARG 126.A N TYR 122.A O no hydrogen 2.833 N/A ARG 126.A NE LEU 91.A O no hydrogen 2.944 N/A ARG 126.A NH1 GLN 129.A OE1 no hydrogen 2.969 N/A ARG 126.A NH2 LEU 91.A O no hydrogen 3.315 N/A LEU 127.A N VAL 123.A O no hydrogen 3.086 N/A GLN 129.A N GLN 125.A O no hydrogen 3.046 N/A LEU 130.A N ARG 126.A O no hydrogen 3.034 N/A GLY 131.A N GLU 128.A O no hydrogen 2.706 N/A ALA 132.A N LEU 127.A O no hydrogen 3.062 N/A GLN 133.A N VAL 101.A O no hydrogen 2.571 N/A ARG 134.A NE ASP 124.A OD2 no hydrogen 2.900 N/A ARG 134.A NH1 GLU 128.A OE2 no hydrogen 3.146 N/A ARG 134.A NH2 ASP 124.A OD1 no hydrogen 2.807 N/A ARG 134.A NH2 ASP 124.A OD2 no hydrogen 3.484 N/A ARG 134.A NH2 GLU 128.A OE2 no hydrogen 2.810 N/A ILE 135.A N PHE 103.A O no hydrogen 2.869 N/A GLY 139.A N VAL 105.A O no hydrogen 2.796 N/A GLY 141.A N GLY 107.A O no hydrogen 2.872 N/A ASP 142.A N ASP 150.A OD2 no hydrogen 2.832 N/A ASP 143.A N GLY 109.A O no hydrogen 2.725 N/A ASP 144.A N ASP 142.A OD1 no hydrogen 2.589 N/A GLY 145.A N ASP 142.A O no hydrogen 3.123 N/A GLU 149.A N ASN 146.A OD1 no hydrogen 3.018 N/A ASP 150.A N ASN 146.A O no hydrogen 3.207 N/A PHE 151.A N LEU 147.A O no hydrogen 2.892 N/A ILE 152.A N GLU 148.A O no hydrogen 2.785 N/A THR 153.A N GLU 149.A O no hydrogen 2.694 N/A THR 153.A OG1 GLU 149.A O no hydrogen 2.884 N/A TRP 154.A N ASP 150.A O no hydrogen 2.964 N/A TRP 154.A NE1 GLU 137.A O no hydrogen 3.010 N/A ARG 155.A N PHE 151.A O no hydrogen 2.799 N/A ARG 155.A NE ASP 36.A OD1 no hydrogen 2.794 N/A ARG 155.A NH2 ASP 36.A OD1 no hydrogen 3.362 N/A ARG 155.A NH2 ASP 36.A OD2 no hydrogen 2.878 N/A GLU 156.A N ILE 152.A O no hydrogen 2.957 N/A GLN 157.A N TRP 154.A O no hydrogen 2.981 N/A PHE 158.A N TRP 154.A O no hydrogen 2.744 N/A TRP 159.A N ARG 155.A O no hydrogen 3.177 N/A TRP 159.A NE1 ASP 36.A OD1 no hydrogen 2.945 N/A ALA 161.A N GLN 157.A O no hydrogen 3.308 N/A VAL 162.A N PHE 158.A O no hydrogen 2.896 N/A ALA 163.A N TRP 159.A O no hydrogen 2.744 N/A GLU 164.A N PRO 160.A O no hydrogen 2.988 N/A PHE 165.A N ALA 161.A O no hydrogen 3.103 N/A PHE 166.A N VAL 162.A O no hydrogen 2.959 N/A GLY 167.A N GLU 164.A O no hydrogen 3.121 N/A VAL 168.A N ALA 163.A O no hydrogen 2.871 N/A THR 171.A N ARG 39.A O no hydrogen 2.959 N/A GLU 173.A N THR 171.A OG1 no hydrogen 3.405 N/A ARG 178.A N SER 176.A O no hydrogen 2.938 N/A ARG 178.A NE GLU 381.A OE2 no hydrogen 3.025 N/A ARG 178.A NH1 ASP 377.A OD2 no hydrogen 2.610 N/A ARG 178.A NH2 GLU 381.A OE2 no hydrogen 3.134 N/A GLN 179.A N GLU 381.A OE1 no hydrogen 2.984 N/A TYR 180.A N GLU 381.A OE2 no hydrogen 2.966 N/A GLU 181.A N ASN 284.A O no hydrogen 2.877 N/A VAL 183.A N SER 282.A O no hydrogen 2.981 N/A HIS 185.A N ILE 280.A O no hydrogen 3.095 N/A LYS 192.A N ASP 189.A O no hydrogen 3.371 N/A VAL 193.A N VAL 190.A O no hydrogen 3.241 N/A TYR 194.A N PRO 299.A O no hydrogen 2.801 N/A TYR 194.A OH GLY 199.A O no hydrogen 3.138 N/A THR 195.A N GLU 197.A OE1 no hydrogen 2.694 N/A THR 195.A OG1 GLU 197.A OE1 no hydrogen 3.555 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.728 N/A LYS 202.A N GLU 197.A OE2 no hydrogen 2.609 N/A SER 203.A N ARG 200.A O no hydrogen 2.991 N/A SER 203.A OG ARG 200.A O no hydrogen 2.663 N/A GLU 205.A N LYS 202.A O no hydrogen 3.255 N/A ASN 206.A N LYS 202.A O no hydrogen 2.941 N/A GLN 207.A NE2 SER 203.A O no hydrogen 2.926 N/A GLN 207.A NE2 PRO 216.A O no hydrogen 3.443 N/A ASP 212.A N ASN 215.A O no hydrogen 2.934 N/A LYS 214.A NZ ASP 48.A OD2 no hydrogen 3.483 N/A LYS 214.A NZ GLU 51.A OE2 no hydrogen 2.733 N/A ASN 215.A N ASP 212.A O no hydrogen 2.950 N/A ASN 215.A N ASP 212.A OD1 no hydrogen 3.122 N/A PHE 217.A N MET 442.A O no hydrogen 2.773 N/A LEU 218.A N GLN 207.A OE1 no hydrogen 2.685 N/A ALA 219.A N VAL 440.A O no hydrogen 2.950 N/A VAL 221.A N ALA 438.A O no hydrogen 2.968 N/A THR 222.A N GLU 239.A O no hydrogen 2.885 N/A THR 222.A OG1 GLU 239.A O no hydrogen 3.124 N/A ASN 224.A ND2 LEU 429.A O no hydrogen 3.011 N/A ASN 224.A ND2 ARG 430.A O no hydrogen 3.553 N/A ASN 224.A ND2 LYS 432.A O no hydrogen 2.747 N/A ARG 225.A N HIS 237.A O no hydrogen 3.002 N/A ARG 225.A NH2 GLU 509.A OE2 no hydrogen 3.390 N/A LYS 226.A NZ ASN 228.A OD1 no hydrogen 2.878 N/A LYS 226.A NZ ARG 233.A O no hydrogen 3.078 N/A LEU 227.A N LEU 235.A O no hydrogen 2.848 N/A ASN 228.A ND2 ARG 233.A O no hydrogen 2.678 N/A GLN 229.A N GLU 502.A O no hydrogen 3.188 N/A GLY 230.A N GLU 502.A O no hydrogen 3.228 N/A ARG 233.A NH1 ASP 503.A OD2 no hydrogen 3.299 N/A LEU 235.A N ASN 228.A OD1 no hydrogen 2.932 N/A MET 236.A N ALA 408.A O no hydrogen 2.786 N/A HIS 237.A N ARG 225.A O no hydrogen 2.969 N/A LEU 238.A N ILE 406.A O no hydrogen 2.984 N/A GLU 239.A N ALA 223.A O no hydrogen 2.995 N/A LEU 240.A N VAL 404.A O no hydrogen 2.938 N/A ASP 241.A N ALA 220.A O no hydrogen 2.686 N/A ILE 242.A N ASN 402.A O no hydrogen 3.043 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.119 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.779 N/A SER 245.A N ILE 242.A O no hydrogen 3.221 N/A SER 245.A OG ILE 242.A O no hydrogen 2.638 N/A ILE 247.A N SER 245.A OG no hydrogen 3.006 N/A TYR 249.A OH SER 395.A OG no hydrogen 2.884 N/A TYR 249.A OH HIS 400.A O no hydrogen 2.741 N/A TYR 249.A OH SER 403.A O no hydrogen 2.874 N/A GLU 250.A N ASP 253.A OD2 no hydrogen 2.736 N/A SER 251.A OG SER 395.A O no hydrogen 3.552 N/A SER 251.A OG GLU 477.A OE1 no hydrogen 3.232 N/A ASP 253.A N GLU 250.A O no hydrogen 2.932 N/A HIS 254.A N CYS 445.A O no hydrogen 3.105 N/A HIS 254.A NE2 ASP 606.A OD1 no hydrogen 2.899 N/A VAL 255.A N TYR 391.A O no hydrogen 2.824 N/A ALA 256.A N PHE 443.A O no hydrogen 2.940 N/A VAL 257.A N ARG 389.A O no hydrogen 2.972 N/A TYR 258.A N PRO 441.A O no hydrogen 3.146 N/A TYR 258.A OH ALA 213.A O no hydrogen 2.436 N/A ASN 261.A N THR 307.A O no hydrogen 2.924 N/A ASN 261.A ND2 LEU 306.A O no hydrogen 3.013 N/A ASN 261.A ND2 LEU 310.A O no hydrogen 2.825 N/A LEU 265.A N ASP 262.A OD1 no hydrogen 3.091 N/A VAL 266.A N ASP 262.A O no hydrogen 3.096 N/A ASN 267.A N SER 263.A O no hydrogen 3.030 N/A GLN 268.A N ALA 264.A O no hydrogen 3.073 N/A ILE 269.A N LEU 265.A O no hydrogen 3.111 N/A GLY 270.A N VAL 266.A O no hydrogen 3.067 N/A GLU 271.A N ASN 267.A O no hydrogen 2.811 N/A ILE 272.A N GLN 268.A O no hydrogen 2.833 N/A LEU 273.A N ILE 269.A O no hydrogen 3.183 N/A GLY 274.A N GLU 271.A O no hydrogen 2.854 N/A ALA 275.A N GLY 270.A O no hydrogen 2.965 N/A ASP 278.A N ASP 276.A OD2 no hydrogen 2.995 N/A VAL 279.A N ASP 276.A O no hydrogen 3.214 N/A MET 281.A N THR 300.A O no hydrogen 3.047 N/A SER 282.A N VAL 183.A O no hydrogen 2.963 N/A ASN 284.A N GLU 181.A O no hydrogen 3.096 N/A ASN 285.A N LYS 293.A O no hydrogen 2.888 N/A LEU 286.A N GLN 179.A O no hydrogen 3.027 N/A GLU 289.A N ASP 287.A OD2 no hydrogen 2.825 N/A SER 290.A N ASP 287.A O no hydrogen 3.200 N/A SER 290.A OG ASN 285.A OD1 no hydrogen 2.984 N/A LYS 292.A N SER 290.A OG no hydrogen 3.114 N/A LYS 293.A NZ SER 290.A O no hydrogen 2.975 N/A THR 298.A OG1 HIS 294.A ND1 no hydrogen 2.729 N/A THR 300.A N MET 281.A O no hydrogen 3.051 N/A THR 300.A OG1 TYR 194.A O no hydrogen 2.887 N/A THR 301.A OG1 THR 304.A OG1 no hydrogen 2.890 N/A TYR 302.A N VAL 279.A O no hydrogen 3.373 N/A ARG 303.A N LEU 277.A O no hydrogen 2.888 N/A ARG 303.A NE ASP 278.A OD2 no hydrogen 2.666 N/A ARG 303.A NH2 ASP 278.A OD2 no hydrogen 3.204 N/A THR 304.A N THR 301.A OG1 no hydrogen 3.006 N/A THR 304.A OG1 THR 301.A OG1 no hydrogen 2.890 N/A ALA 305.A N THR 301.A O no hydrogen 3.092 N/A LEU 306.A N TYR 302.A O no hydrogen 3.024 N/A THR 307.A N ARG 303.A O no hydrogen 2.923 N/A THR 307.A N THR 304.A O no hydrogen 3.266 N/A THR 307.A OG1 ARG 303.A O no hydrogen 2.634 N/A TYR 308.A N THR 304.A O no hydrogen 2.867 N/A TYR 309.A N ALA 305.A O no hydrogen 2.994 N/A TYR 309.A OH GLU 197.A O no hydrogen 2.646 N/A ASP 311.A N PRO 384.A O no hydrogen 2.755 N/A THR 313.A N ASP 311.A OD2 no hydrogen 2.952 N/A THR 313.A OG1 ASP 311.A OD2 no hydrogen 3.526 N/A ASN 314.A N ASP 311.A OD2 no hydrogen 3.053 N/A ASN 314.A ND2 ASP 311.A OD1 no hydrogen 2.763 N/A ARG 317.A NH2 GLU 148.A OE1 no hydrogen 2.956 N/A VAL 320.A N ARG 317.A O no hydrogen 3.113 N/A LEU 321.A N ARG 317.A O no hydrogen 3.167 N/A TYR 322.A N THR 318.A O no hydrogen 2.856 N/A GLU 323.A N ASN 319.A O no hydrogen 2.982 N/A LEU 324.A N VAL 320.A O no hydrogen 2.987 N/A ALA 325.A N LEU 321.A O no hydrogen 3.112 N/A ALA 325.A N TYR 322.A O no hydrogen 3.206 N/A TYR 327.A N LEU 324.A O no hydrogen 2.887 N/A TYR 327.A OH HIS 378.A ND1 no hydrogen 2.525 N/A ALA 328.A N ALA 325.A O no hydrogen 3.119 N/A SER 329.A N SER 371.A O no hydrogen 2.910 N/A SER 329.A OG SER 371.A O no hydrogen 3.428 N/A GLU 330.A N SER 371.A OG no hydrogen 2.937 N/A SER 332.A N GLU 330.A OE2 no hydrogen 3.419 N/A SER 332.A OG GLU 330.A OE2 no hydrogen 3.092 N/A GLN 334.A N GLU 330.A O no hydrogen 2.883 N/A GLU 335.A N PRO 331.A O no hydrogen 2.768 N/A HIS 336.A N SER 332.A O no hydrogen 2.992 N/A HIS 336.A ND1 TYR 369.A OH no hydrogen 2.451 N/A LEU 337.A N GLU 333.A O no hydrogen 3.014 N/A HIS 338.A N GLN 334.A O no hydrogen 3.098 N/A LYS 339.A N GLU 335.A O no hydrogen 2.975 N/A MET 340.A N HIS 336.A O no hydrogen 3.048 N/A ALA 341.A N LEU 337.A O no hydrogen 3.019 N/A SER 342.A N LYS 339.A O no hydrogen 3.350 N/A SER 342.A OG LYS 339.A O no hydrogen 2.890 N/A SER 342.A OG SER 344.A OG no hydrogen 3.146 N/A SER 344.A OG SER 342.A OG no hydrogen 3.146 N/A GLY 347.A N SER 344.A OG no hydrogen 2.799 N/A LYS 348.A N SER 344.A O no hydrogen 2.914 N/A GLU 349.A N GLY 345.A O no hydrogen 2.947 N/A LEU 350.A N GLU 346.A O no hydrogen 2.851 N/A TYR 351.A N GLY 347.A O no hydrogen 3.008 N/A TYR 351.A OH PRO 316.A O no hydrogen 2.634 N/A LEU 352.A N LYS 348.A O no hydrogen 2.905 N/A SER 353.A N GLU 349.A O no hydrogen 3.132 N/A TRP 354.A N LEU 350.A O no hydrogen 2.833 N/A VAL 355.A N TYR 351.A O no hydrogen 3.014 N/A VAL 356.A N TYR 351.A O no hydrogen 3.086 N/A GLU 357.A N LEU 352.A O no hydrogen 2.767 N/A ARG 359.A N VAL 356.A O no hydrogen 3.002 N/A ARG 359.A NE TYR 413.A OH no hydrogen 3.124 N/A ARG 359.A NH1 ASN 314.A OD1 no hydrogen 2.887 N/A ARG 360.A N VAL 355.A O no hydrogen 3.003 N/A ARG 360.A NE ASP 368.A OD1 no hydrogen 2.668 N/A ARG 360.A NH1 TRP 354.A O no hydrogen 2.826 N/A ILE 365.A N HIS 361.A O no hydrogen 3.057 N/A LEU 366.A N ILE 362.A O no hydrogen 3.116 N/A GLN 367.A N LEU 363.A O no hydrogen 2.911 N/A ASP 368.A N ALA 364.A O no hydrogen 2.791 N/A TYR 369.A N ILE 365.A O no hydrogen 2.982 N/A TYR 369.A OH HIS 336.A ND1 no hydrogen 2.451 N/A SER 371.A N GLU 333.A OE2 no hydrogen 2.997 N/A SER 371.A OG GLU 333.A OE2 no hydrogen 2.604 N/A LEU 372.A N TYR 369.A O no hydrogen 2.966 N/A ARG 373.A N TYR 327.A O no hydrogen 3.155 N/A ARG 373.A NH2 SER 329.A OG no hydrogen 2.565 N/A HIS 378.A ND1 TYR 327.A OH no hydrogen 2.525 N/A LEU 379.A N PRO 375.A O no hydrogen 3.177 N/A LEU 380.A N ILE 376.A O no hydrogen 3.024 N/A LEU 382.A N LEU 379.A O no hydrogen 2.900 N/A LEU 383.A N LEU 379.A O no hydrogen 3.137 N/A ARG 385.A NE TYR 309.A O no hydrogen 2.956 N/A ARG 385.A NH1 PRO 295.A O no hydrogen 3.535 N/A LEU 386.A N TYR 309.A O no hydrogen 2.834 N/A GLN 387.A NE2 GLN 22.A O no hydrogen 3.393 N/A ARG 389.A N VAL 257.A O no hydrogen 3.017 N/A ARG 389.A NH2 GLN 387.A O no hydrogen 2.684 N/A TYR 391.A N VAL 255.A O no hydrogen 2.966 N/A SER 392.A OG ASP 606.A OD2 no hydrogen 2.908 N/A ILE 393.A N ASP 253.A O no hydrogen 3.032 N/A ALA 394.A N HIS 405.A O no hydrogen 2.842 N/A SER 395.A OG TYR 249.A OH no hydrogen 2.884 N/A SER 395.A OG SER 403.A O no hydrogen 3.399 N/A SER 396.A N GLN 476.A OE1 no hydrogen 3.085 N/A SER 396.A OG GLU 477.A OE1 no hydrogen 2.771 N/A SER 397.A OG TYR 249.A O no hydrogen 2.776 N/A SER 397.A OG GLU 250.A OE1 no hydrogen 3.523 N/A LYS 398.A N SER 396.A OG no hydrogen 3.063 N/A LYS 398.A NZ GLU 477.A OE2 no hydrogen 3.477 N/A VAL 399.A N SER 396.A O no hydrogen 2.865 N/A HIS 400.A N SER 396.A O no hydrogen 2.662 N/A SER 403.A N HIS 400.A O no hydrogen 3.208 N/A SER 403.A OG LEU 240.A O no hydrogen 3.522 N/A SER 403.A OG HIS 405.A NE2 no hydrogen 3.324 N/A VAL 404.A N LEU 240.A O no hydrogen 2.947 N/A HIS 405.A N SER 395.A OG no hydrogen 3.304 N/A ILE 406.A N LEU 238.A O no hydrogen 2.933 N/A THR 407.A OG1 TYR 506.A OH no hydrogen 2.636 N/A ALA 408.A N MET 236.A O no hydrogen 3.004 N/A ALA 410.A N HIS 234.A O no hydrogen 2.829 N/A VAL 411.A N THR 426.A OG1 no hydrogen 2.972 N/A TYR 413.A N ASN 421.A O no hydrogen 3.125 N/A ALA 415.A N ARG 419.A O no hydrogen 2.781 N/A GLY 418.A N ALA 415.A O no hydrogen 2.917 N/A ARG 419.A N SER 417.A OG no hydrogen 3.359 N/A ARG 419.A NE GLN 367.A OE1 no hydrogen 3.122 N/A ARG 419.A NH1 GLN 367.A OE1 no hydrogen 3.160 N/A ARG 419.A NH1 ASP 368.A OD2 no hydrogen 2.797 N/A ASN 421.A N TYR 413.A O no hydrogen 2.747 N/A GLY 423.A N VAL 411.A O no hydrogen 2.708 N/A SER 427.A N GLY 423.A O no hydrogen 3.284 N/A SER 427.A OG GLY 423.A O no hydrogen 2.714 N/A TRP 428.A N VAL 424.A O no hydrogen 3.244 N/A LEU 429.A N ALA 425.A O no hydrogen 2.656 N/A ARG 430.A N THR 426.A O no hydrogen 2.945 N/A ALA 431.A N SER 427.A O no hydrogen 3.374 N/A LYS 432.A N LEU 429.A O no hydrogen 3.000 N/A LYS 432.A NZ LEU 439.A O no hydrogen 2.863 N/A VAL 440.A N ALA 219.A O no hydrogen 2.777 N/A MET 442.A N PHE 217.A O no hydrogen 2.854 N/A PHE 443.A N ALA 256.A O no hydrogen 3.158 N/A CYS 445.A N HIS 254.A O no hydrogen 2.920 N/A CYS 445.A SG LYS 446.A O no hydrogen 3.362 N/A LYS 446.A NZ ASP 253.A OD2 no hydrogen 2.752 N/A SER 447.A N ASP 253.A OD1 no hydrogen 3.100 N/A SER 447.A OG GLY 252.A O no hydrogen 2.646 N/A PHE 449.A N SER 447.A OG no hydrogen 2.993 N/A ARG 450.A NH1 ASP 253.A OD1 no hydrogen 2.688 N/A ARG 450.A NH2 ASP 253.A OD1 no hydrogen 2.573 N/A SER 455.A OG GLU 487.A O no hydrogen 2.775 N/A THR 457.A N LYS 454.A O no hydrogen 3.135 N/A THR 457.A OG1 LYS 454.A O no hydrogen 3.371 N/A VAL 459.A N GLU 490.A O no hydrogen 2.864 N/A ILE 460.A N HIS 557.A O no hydrogen 2.973 N/A MET 461.A N LEU 492.A O no hydrogen 2.905 N/A VAL 462.A N TYR 559.A O no hydrogen 2.676 N/A GLY 463.A N TYR 494.A O no hydrogen 3.116 N/A GLY 465.A N GLY 496.A O no hydrogen 2.777 N/A GLY 467.A N PRO 464.A O no hydrogen 2.860 N/A ILE 468.A N GLY 465.A O no hydrogen 3.254 N/A ALA 469.A N THR 466.A O no hydrogen 2.983 N/A MET 472.A N ILE 468.A O no hydrogen 3.219 N/A MET 472.A N ALA 469.A O no hydrogen 3.097 N/A GLY 473.A N PRO 470.A O no hydrogen 3.127 N/A PHE 474.A N PRO 470.A O no hydrogen 3.054 N/A ILE 475.A N PHE 471.A O no hydrogen 2.852 N/A GLN 476.A N MET 472.A O no hydrogen 2.939 N/A GLU 477.A N GLY 473.A O no hydrogen 2.873 N/A ARG 478.A N PHE 474.A O no hydrogen 2.850 N/A ARG 478.A NE THR 491.A OG1 no hydrogen 3.020 N/A ARG 478.A NH1 THR 457.A O no hydrogen 3.281 N/A ARG 478.A NH2 THR 457.A O no hydrogen 3.022 N/A ARG 478.A NH2 GLU 490.A O no hydrogen 3.155 N/A ARG 478.A NH2 THR 491.A OG1 no hydrogen 3.381 N/A ALA 479.A N ILE 475.A O no hydrogen 2.891 N/A TRP 480.A N GLN 476.A O no hydrogen 2.994 N/A LEU 481.A N GLU 477.A O no hydrogen 2.863 N/A ARG 482.A N ARG 478.A O no hydrogen 3.078 N/A ARG 482.A NH2 ASP 516.A O no hydrogen 3.037 N/A GLU 483.A N ALA 479.A O no hydrogen 3.073 N/A GLN 484.A N TRP 480.A O no hydrogen 2.894 N/A GLY 485.A N ARG 482.A O no hydrogen 2.928 N/A LYS 486.A N LEU 481.A O no hydrogen 2.971 N/A GLY 489.A N SER 455.A O no hydrogen 3.008 N/A THR 491.A N THR 520.A OG1 no hydrogen 2.786 N/A LEU 492.A N VAL 459.A O no hydrogen 2.920 N/A LEU 493.A N GLN 521.A O no hydrogen 3.089 N/A TYR 494.A N MET 461.A O no hydrogen 2.830 N/A TYR 494.A OH ASP 543.A OD2 no hydrogen 3.196 N/A TYR 495.A N ASN 523.A O no hydrogen 2.738 N/A TYR 495.A OH ASP 503.A O no hydrogen 3.218 N/A GLY 496.A N GLY 463.A O no hydrogen 3.463 N/A ALA 497.A N ALA 525.A O no hydrogen 2.637 N/A ARG 498.A N ASP 503.A OD1 no hydrogen 3.233 N/A GLU 502.A N ARG 499.A O no hydrogen 3.410 N/A ASP 503.A N ARG 499.A O no hydrogen 3.063 N/A TYR 506.A OH THR 407.A OG1 no hydrogen 2.636 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.458 N/A LEU 510.A N TYR 506.A O no hydrogen 2.963 N/A ALA 511.A N ARG 507.A O no hydrogen 2.949 N/A ARG 512.A N GLU 508.A O no hydrogen 3.027 N/A PHE 513.A N GLU 509.A O no hydrogen 3.041 N/A HIS 514.A N LEU 510.A O no hydrogen 2.846 N/A HIS 514.A ND1 LEU 519.A O no hydrogen 2.852 N/A LYS 515.A N ALA 511.A O no hydrogen 2.822 N/A LYS 515.A NZ ASP 516.A OD1 no hydrogen 2.574 N/A ASP 516.A N ARG 512.A O no hydrogen 2.978 N/A GLY 517.A N HIS 514.A O no hydrogen 3.032 N/A ALA 518.A N PHE 513.A O no hydrogen 2.830 N/A LEU 519.A N PHE 513.A O no hydrogen 3.004 N/A THR 520.A OG1 THR 491.A O no hydrogen 3.494 N/A GLN 521.A N THR 491.A O no hydrogen 3.405 N/A ASN 523.A N LEU 493.A O no hydrogen 2.903 N/A ASN 523.A ND2 LEU 493.A O no hydrogen 3.524 N/A ALA 525.A N TYR 495.A O no hydrogen 2.811 N/A SER 527.A N ALA 497.A O no hydrogen 2.755 N/A SER 527.A OG ALA 497.A O no hydrogen 3.190 N/A ARG 528.A N ARG 498.A O no hydrogen 3.201 N/A LYS 533.A NZ SER 527.A O no hydrogen 2.662 N/A LYS 533.A NZ TYR 535.A OH no hydrogen 2.475 N/A VAL 534.A N PHE 526.A O no hydrogen 3.460 N/A TYR 535.A N HIS 538.A ND1 no hydrogen 2.889 N/A HIS 538.A N TYR 535.A O no hydrogen 2.845 N/A LEU 539.A N TYR 535.A O no hydrogen 3.300 N/A LEU 540.A N VAL 536.A O no hydrogen 3.029 N/A LYS 541.A N GLN 537.A O no hydrogen 3.074 N/A ARG 542.A N HIS 538.A O no hydrogen 2.899 N/A ASP 543.A N LEU 539.A O no hydrogen 3.229 N/A ASP 543.A N LEU 540.A O no hydrogen 2.956 N/A ARG 544.A N LYS 541.A O no hydrogen 3.200 N/A ARG 544.A NH1 LYS 541.A O no hydrogen 2.778 N/A HIS 546.A NE2 GLU 490.A OE1 no hydrogen 2.739 N/A LEU 547.A N ASP 543.A O no hydrogen 3.097 N/A TRP 548.A N ARG 544.A O no hydrogen 2.968 N/A LYS 549.A N GLU 545.A O no hydrogen 3.171 N/A LYS 549.A NZ GLU 553.A OE1 no hydrogen 2.623 N/A LEU 550.A N HIS 546.A O no hydrogen 3.029 N/A ILE 551.A N LEU 547.A O no hydrogen 2.856 N/A HIS 552.A N TRP 548.A O no hydrogen 2.706 N/A HIS 552.A ND1 TYR 593.A OH no hydrogen 2.968 N/A GLU 553.A N LYS 549.A O no hydrogen 2.699 N/A GLY 554.A N LYS 549.A O no hydrogen 2.814 N/A ALA 556.A N LEU 550.A O no hydrogen 2.806 N/A HIS 557.A N PRO 458.A O no hydrogen 2.943 N/A ILE 558.A N ARG 602.A O no hydrogen 2.638 N/A TYR 559.A N ILE 460.A O no hydrogen 2.756 N/A TYR 559.A OH ARG 450.A O no hydrogen 2.615 N/A VAL 560.A N SER 604.A O no hydrogen 3.023 N/A CYS 561.A N VAL 462.A O no hydrogen 2.962 N/A CYS 561.A SG GLY 467.A O no hydrogen 3.262 N/A CYS 561.A SG ASP 606.A O no hydrogen 3.336 N/A CYS 561.A SG ASP 606.A OD2 no hydrogen 3.702 N/A GLY 562.A N ASP 606.A O no hydrogen 3.263 N/A ARG 565.A NH1 THR 112.A OG1 no hydrogen 3.121 N/A ARG 565.A NH2 THR 112.A OG1 no hydrogen 3.151 N/A MET 567.A N ALA 564.A O no hydrogen 3.197 N/A ALA 568.A N ALA 564.A O no hydrogen 3.419 N/A LYS 569.A N ARG 565.A O no hydrogen 2.975 N/A LYS 569.A NZ ASP 570.A OD1 no hydrogen 3.371 N/A ASP 570.A N ASN 566.A O no hydrogen 2.925 N/A VAL 571.A N MET 567.A O no hydrogen 2.934 N/A GLN 572.A N ALA 568.A O no hydrogen 2.855 N/A ASN 573.A N LYS 569.A O no hydrogen 2.881 N/A THR 574.A N ASP 570.A O no hydrogen 2.939 N/A THR 574.A OG1 ASP 570.A O no hydrogen 2.786 N/A PHE 575.A N VAL 571.A O no hydrogen 3.024 N/A TYR 576.A N GLN 572.A O no hydrogen 2.974 N/A ASP 577.A N ASN 573.A O no hydrogen 3.090 N/A ILE 578.A N THR 574.A O no hydrogen 3.060 N/A VAL 579.A N PHE 575.A O no hydrogen 3.032 N/A ALA 580.A N TYR 576.A O no hydrogen 2.885 N/A GLU 581.A N ASP 577.A O no hydrogen 2.975 N/A PHE 582.A N ILE 578.A O no hydrogen 3.013 N/A GLY 583.A N VAL 579.A O no hydrogen 2.880 N/A MET 585.A N ALA 580.A O no hydrogen 3.003 N/A ALA 590.A N GLU 586.A O no hydrogen 2.902 N/A VAL 591.A N HIS 587.A O no hydrogen 2.857 N/A ASP 592.A N THR 588.A O no hydrogen 3.304 N/A TYR 593.A N GLN 589.A O no hydrogen 2.982 N/A TYR 593.A OH HIS 552.A ND1 no hydrogen 2.968 N/A VAL 594.A N ALA 590.A O no hydrogen 2.973 N/A LYS 595.A N VAL 591.A O no hydrogen 2.997 N/A LYS 596.A N ASP 592.A O no hydrogen 2.872 N/A LEU 597.A N TYR 593.A O no hydrogen 3.114 N/A MET 598.A N VAL 594.A O no hydrogen 3.166 N/A THR 599.A N LYS 595.A O no hydrogen 2.996 N/A THR 599.A OG1 LYS 596.A O no hydrogen 3.045 N/A LYS 600.A N LYS 596.A O no hydrogen 2.778 N/A GLY 601.A N MET 598.A O no hydrogen 2.945 N/A ARG 602.A N LEU 597.A O no hydrogen 2.692 N/A ARG 602.A NE ALA 556.A O no hydrogen 3.155 N/A ARG 602.A NH2 ILE 551.A O no hydrogen 2.812 N/A ARG 602.A NH2 ALA 556.A O no hydrogen 2.954 N/A SER 604.A N ILE 558.A O no hydrogen 2.807 N/A ASP 606.A N VAL 560.A O no hydrogen 2.818 N/A TRP 608.A N GLY 562.A O no hydrogen 3.040 N/A TRP 608.A NE1 ASP 606.A OD2 no hydrogen 3.037 N/A SER 609.A OG ASP 563.A O no hydrogen 2.470 N/A