Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ALA 2.A O no hydrogen 2.729 N/A ARG 5.A NH1 ASP 28.A OD1 no hydrogen 2.695 N/A ARG 5.A NH2 ASP 28.A OD2 no hydrogen 3.326 N/A SER 6.A N GLU 3.A O no hydrogen 2.869 N/A SER 6.A OG GLU 3.A O no hydrogen 2.624 N/A TRP 7.A N TRP 4.A O no hydrogen 3.250 N/A TRP 7.A NE1 GLU 3.A OE2 no hydrogen 2.995 N/A LYS 11.A N GLU 8.A O no hydrogen 2.802 N/A LYS 11.A NZ GLU 8.A OE2 no hydrogen 3.548 N/A ARG 12.A N GLU 8.A O no hydrogen 3.069 N/A ARG 12.A NE ASP 28.A OD2 no hydrogen 2.953 N/A ARG 12.A NH1 TRP 7.A O no hydrogen 2.680 N/A ARG 12.A NH2 ASP 28.A OD2 no hydrogen 2.746 N/A ARG 12.A NH2 GLU 31.A OE2 no hydrogen 3.503 N/A LEU 13.A N VAL 9.A O no hydrogen 2.804 N/A GLU 14.A N ASN 10.A O no hydrogen 3.298 N/A TYR 15.A N LYS 11.A O no hydrogen 3.141 N/A SER 16.A N ARG 12.A O no hydrogen 2.850 N/A SER 16.A OG ARG 12.A O no hydrogen 3.200 N/A SER 16.A OG LEU 13.A O no hydrogen 2.899 N/A LEU 17.A N LEU 13.A O no hydrogen 2.892 N/A VAL 18.A N GLU 14.A O no hydrogen 2.804 N/A LYS 19.A N TYR 15.A O no hydrogen 2.878 N/A GLY 20.A N LEU 17.A O no hydrogen 2.928 N/A ILE 21.A N SER 16.A O no hydrogen 2.957 N/A ILE 25.A N THR 22.A O no hydrogen 3.181 N/A ASP 28.A N PHE 24.A O no hydrogen 2.911 N/A THR 29.A N ILE 25.A O no hydrogen 2.899 N/A THR 29.A OG1 ILE 25.A O no hydrogen 2.891 N/A GLU 30.A N GLU 26.A O no hydrogen 2.554 N/A GLU 31.A N GLN 27.A O no hydrogen 2.826 N/A ALA 32.A N ASP 28.A O no hydrogen 2.916 N/A ARG 33.A N THR 29.A O no hydrogen 2.970 N/A ARG 33.A NE GLU 30.A OE1 no hydrogen 2.879 N/A ARG 33.A NH2 GLU 30.A OE2 no hydrogen 2.900 N/A GLN 34.A N GLU 30.A O no hydrogen 3.360 N/A GLN 35.A N GLU 31.A O no hydrogen 2.973 N/A ALA 36.A N ARG 33.A O no hydrogen 2.808 N/A THR 37.A N GLU 41.A OE2 no hydrogen 3.332 N/A THR 37.A OG1 GLU 41.A OE1 no hydrogen 2.920 N/A THR 37.A OG1 GLU 41.A OE2 no hydrogen 2.997 N/A ARG 38.A N GLU 41.A OE1 no hydrogen 2.911 N/A ARG 38.A NH1 GLU 41.A OE1 no hydrogen 2.799 N/A GLU 41.A N ARG 38.A O no hydrogen 2.868 N/A VAL 42.A N PRO 39.A O no hydrogen 3.008 N/A GLU 44.A N CYS 40.A O no hydrogen 3.174 N/A GLY 45.A N GLU 41.A O no hydrogen 3.109 N/A LEU 47.A N VAL 42.A O no hydrogen 3.173 N/A MET 48.A N ILE 43.A O no hydrogen 2.953 N/A ASP 49.A N GLY 45.A O no hydrogen 2.781 N/A GLY 50.A N PRO 46.A O no hydrogen 2.683 N/A MET 51.A N LEU 47.A O no hydrogen 3.016 N/A ASN 52.A N MET 48.A O no hydrogen 2.723 N/A VAL 53.A N ASP 49.A O no hydrogen 2.964 N/A VAL 54.A N GLY 50.A O no hydrogen 2.998 N/A GLY 55.A N MET 51.A O no hydrogen 2.891 N/A ASP 56.A N ASN 52.A O no hydrogen 3.100 N/A LEU 57.A N VAL 53.A O no hydrogen 2.850 N/A PHE 58.A N VAL 54.A O no hydrogen 3.004 N/A GLY 59.A N GLY 55.A O no hydrogen 2.892 N/A GLU 60.A N ASP 56.A O no hydrogen 2.796 N/A GLY 61.A N LEU 57.A O no hydrogen 2.952 N/A GLY 61.A N PHE 58.A O no hydrogen 3.011 N/A LYS 62.A N LEU 57.A O no hydrogen 2.832 N/A LYS 62.A NZ GLU 60.A OE1 no hydrogen 2.983 N/A MET 63.A N LEU 57.A O no hydrogen 3.396 N/A PHE 64.A N GLN 67.A OE1 no hydrogen 3.146 N/A VAL 68.A N PHE 64.A O no hydrogen 2.914 N/A VAL 69.A N LEU 65.A O no hydrogen 2.859 N/A LYS 70.A N PRO 66.A O no hydrogen 3.086 N/A LYS 70.A NZ ASP 329.A OD2 no hydrogen 3.046 N/A SER 71.A N GLN 67.A O no hydrogen 2.866 N/A SER 71.A OG LEU 17.A O no hydrogen 2.902 N/A SER 71.A OG GLN 67.A O no hydrogen 3.171 N/A ALA 72.A N VAL 68.A O no hydrogen 2.870 N/A ARG 73.A N VAL 69.A O no hydrogen 3.151 N/A ARG 73.A NH1 ASP 431.A OD1 no hydrogen 3.145 N/A VAL 74.A N LYS 70.A O no hydrogen 3.355 N/A VAL 74.A N SER 71.A O no hydrogen 2.739 N/A MET 75.A N SER 71.A O no hydrogen 3.042 N/A LYS 76.A N ALA 72.A O no hydrogen 2.923 N/A LYS 76.A NZ ASP 432.A OD1 no hydrogen 2.656 N/A GLN 77.A N ARG 73.A O no hydrogen 3.282 N/A ALA 78.A N VAL 74.A O no hydrogen 3.011 N/A VAL 79.A N MET 75.A O no hydrogen 3.024 N/A ALA 80.A N LYS 76.A O no hydrogen 2.963 N/A TYR 81.A N GLN 77.A O no hydrogen 3.138 N/A TYR 81.A N ALA 78.A O no hydrogen 2.927 N/A TYR 81.A OH GLU 30.A OE1 no hydrogen 2.463 N/A LEU 82.A N ALA 78.A O no hydrogen 2.969 N/A GLU 83.A N VAL 79.A O no hydrogen 2.792 N/A ILE 86.A N LEU 82.A O no hydrogen 3.052 N/A GLU 87.A N GLU 83.A O no hydrogen 2.891 N/A ALA 88.A N PRO 84.A O no hydrogen 3.001 N/A SER 89.A OG PHE 85.A O no hydrogen 3.407 N/A SER 89.A OG ILE 86.A O no hydrogen 2.862 N/A ASN 96.A N ASN 124.A O no hydrogen 2.808 N/A GLY 97.A N THR 95.A OG1 no hydrogen 3.316 N/A LYS 98.A N ASP 149.A OD2 no hydrogen 2.817 N/A LYS 98.A NZ VAL 146.A O no hydrogen 2.593 N/A MET 99.A N GLU 126.A O no hydrogen 2.977 N/A VAL 100.A N LEU 150.A O no hydrogen 3.146 N/A ILE 101.A N VAL 128.A O no hydrogen 2.965 N/A ALA 102.A N GLY 152.A O no hydrogen 3.038 N/A THR 103.A N GLY 131.A O no hydrogen 2.938 N/A VAL 104.A N SER 154.A O no hydrogen 3.017 N/A ASP 107.A N VAL 104.A O no hydrogen 2.863 N/A VAL 108.A N ASP 107.A OD2 no hydrogen 2.863 N/A HIS 109.A NE2 ASP 443.A OD1 no hydrogen 2.785 N/A LYS 113.A NZ ASP 129.A OD1 no hydrogen 2.436 N/A LYS 113.A NZ ASP 129.A OD2 no hydrogen 3.037 N/A LYS 113.A NZ GLY 131.A O no hydrogen 2.833 N/A ASN 114.A N ASP 110.A O no hydrogen 2.911 N/A ILE 115.A N ILE 111.A O no hydrogen 3.036 N/A VAL 116.A N GLY 112.A O no hydrogen 2.957 N/A GLY 117.A N LYS 113.A O no hydrogen 2.865 N/A VAL 118.A N ASN 114.A O no hydrogen 2.937 N/A VAL 119.A N ILE 115.A O no hydrogen 3.005 N/A LEU 120.A N VAL 116.A O no hydrogen 3.063 N/A LEU 120.A N GLY 117.A O no hydrogen 2.848 N/A GLN 121.A N GLY 117.A O no hydrogen 2.934 N/A CYS 122.A N VAL 118.A O no hydrogen 3.169 N/A CYS 122.A N VAL 119.A O no hydrogen 3.274 N/A CYS 122.A SG VAL 118.A O no hydrogen 3.577 N/A ASN 123.A N LEU 120.A O no hydrogen 3.113 N/A ASN 123.A ND2 VAL 119.A O no hydrogen 3.053 N/A ASN 124.A N GLN 121.A O no hydrogen 3.221 N/A ASN 124.A ND2 LYS 94.A O no hydrogen 3.465 N/A TYR 125.A N LEU 120.A O no hydrogen 3.053 N/A GLU 126.A N GLY 97.A O no hydrogen 3.038 N/A VAL 128.A N MET 99.A O no hydrogen 2.778 N/A LEU 130.A N ILE 101.A O no hydrogen 2.852 N/A GLY 131.A N ASP 129.A OD1 no hydrogen 2.774 N/A MET 133.A N ASP 107.A O no hydrogen 2.941 N/A VAL 134.A N THR 103.A O no hydrogen 2.982 N/A LYS 138.A N PRO 135.A O no hydrogen 2.791 N/A ILE 139.A N PRO 135.A O no hydrogen 3.202 N/A LEU 140.A N ALA 136.A O no hydrogen 3.069 N/A ARG 141.A N GLU 137.A O no hydrogen 3.024 N/A THR 142.A N LYS 138.A O no hydrogen 3.029 N/A THR 142.A OG1 LYS 138.A O no hydrogen 2.709 N/A ALA 143.A N ILE 139.A O no hydrogen 3.042 N/A LYS 144.A N LEU 140.A O no hydrogen 3.038 N/A LYS 144.A NZ GLN 174.A OE1 no hydrogen 3.376 N/A GLU 145.A N ARG 141.A O no hydrogen 2.955 N/A ASN 147.A N LYS 144.A O no hydrogen 2.942 N/A ALA 148.A N ALA 143.A O no hydrogen 3.156 N/A ASP 149.A N LYS 98.A O no hydrogen 2.941 N/A ILE 151.A N PRO 179.A O no hydrogen 3.173 N/A GLY 152.A N VAL 100.A O no hydrogen 2.731 N/A LEU 153.A N LEU 181.A O no hydrogen 2.899 N/A SER 154.A N ALA 102.A O no hydrogen 2.977 N/A LEU 156.A N ASP 107.A OD1 no hydrogen 2.723 N/A ILE 157.A N ASP 107.A OD1 no hydrogen 3.425 N/A SER 160.A N ILE 157.A O no hydrogen 2.721 N/A SER 160.A OG ASP 107.A OD1 no hydrogen 2.431 N/A LEU 161.A N THR 158.A O no hydrogen 3.014 N/A MET 164.A N SER 160.A O no hydrogen 3.007 N/A VAL 165.A N LEU 161.A O no hydrogen 3.036 N/A ASN 166.A N ASP 162.A O no hydrogen 2.918 N/A ASN 166.A ND2 GLU 163.A OE1 no hydrogen 2.989 N/A VAL 167.A N GLU 163.A O no hydrogen 2.877 N/A ALA 168.A N MET 164.A O no hydrogen 2.988 N/A LYS 169.A N VAL 165.A O no hydrogen 3.044 N/A GLU 170.A N ASN 166.A O no hydrogen 3.120 N/A MET 171.A N VAL 167.A O no hydrogen 2.976 N/A GLU 172.A N ALA 168.A O no hydrogen 3.014 N/A ARG 173.A N LYS 169.A O no hydrogen 2.893 N/A GLN 174.A N GLU 170.A O no hydrogen 3.052 N/A GLY 175.A N GLU 172.A O no hydrogen 2.836 N/A PHE 176.A N MET 171.A O no hydrogen 2.804 N/A LEU 180.A N PRO 203.A O no hydrogen 2.818 N/A LEU 181.A N ILE 151.A O no hydrogen 2.660 N/A ILE 182.A N VAL 205.A O no hydrogen 2.885 N/A GLY 183.A N LEU 153.A O no hydrogen 3.055 N/A THR 186.A N GLY 155.A O no hydrogen 3.301 N/A THR 186.A OG1 GLY 155.A O no hydrogen 3.224 N/A THR 187.A N GLY 184.A O no hydrogen 2.985 N/A THR 187.A OG1 GLY 184.A O no hydrogen 2.753 N/A HIS 191.A N SER 188.A OG no hydrogen 3.142 N/A THR 192.A N SER 188.A O no hydrogen 2.943 N/A THR 192.A OG1 SER 188.A O no hydrogen 2.891 N/A ALA 193.A N LYS 189.A O no hydrogen 3.090 N/A VAL 194.A N ALA 190.A O no hydrogen 3.151 N/A LYS 195.A N HIS 191.A O no hydrogen 3.100 N/A ILE 196.A N THR 192.A O no hydrogen 3.003 N/A GLU 197.A N THR 192.A O no hydrogen 2.786 N/A ASN 199.A N ILE 196.A O no hydrogen 2.965 N/A TYR 200.A N GLU 197.A O no hydrogen 3.051 N/A TYR 200.A OH ILE 178.A O no hydrogen 2.566 N/A SER 201.A N GLU 172.A OE2 no hydrogen 3.151 N/A SER 201.A OG GLU 172.A OE1 no hydrogen 2.852 N/A SER 201.A OG GLU 172.A OE2 no hydrogen 2.851 N/A VAL 205.A N LEU 180.A O no hydrogen 2.886 N/A TYR 206.A N TYR 237.A OH no hydrogen 2.882 N/A VAL 207.A N ILE 182.A O no hydrogen 2.831 N/A ARG 212.A N ASN 209.A OD1 no hydrogen 2.751 N/A THR 213.A N ASN 209.A O no hydrogen 3.220 N/A THR 213.A OG1 ASN 209.A O no hydrogen 2.850 N/A VAL 214.A N SER 211.A O no hydrogen 3.269 N/A GLY 215.A N ARG 212.A O no hydrogen 3.013 N/A VAL 216.A N ARG 212.A O no hydrogen 3.076 N/A VAL 217.A N THR 213.A O no hydrogen 2.774 N/A ALA 218.A N VAL 214.A O no hydrogen 3.113 N/A ALA 219.A N GLY 215.A O no hydrogen 2.944 N/A LEU 220.A N VAL 216.A O no hydrogen 2.921 N/A LEU 221.A N VAL 217.A O no hydrogen 2.685 N/A LEU 221.A N ALA 218.A O no hydrogen 3.034 N/A SER 222.A OG ALA 219.A O no hydrogen 3.542 N/A GLN 225.A N SER 222.A OG no hydrogen 2.796 N/A GLN 225.A NE2 SER 222.A OG no hydrogen 3.051 N/A ARG 226.A N SER 222.A O no hydrogen 3.167 N/A PHE 229.A N GLN 225.A O no hydrogen 2.702 N/A VAL 230.A N ARG 226.A O no hydrogen 2.836 N/A ALA 231.A N ASP 227.A O no hydrogen 3.110 N/A ARG 232.A N ASP 228.A O no hydrogen 3.129 N/A ARG 232.A NH2 ASP 228.A OD2 no hydrogen 3.269 N/A THR 233.A N PHE 229.A O no hydrogen 2.908 N/A THR 233.A OG1 PHE 229.A O no hydrogen 2.901 N/A ARG 234.A N VAL 230.A O no hydrogen 3.008 N/A ARG 234.A NH1 GLU 197.A OE2 no hydrogen 3.395 N/A ARG 234.A NH2 SER 201.A O no hydrogen 3.181 N/A LYS 235.A N ALA 231.A O no hydrogen 2.855 N/A GLU 236.A N ARG 232.A O no hydrogen 2.746 N/A TYR 237.A N THR 233.A O no hydrogen 2.639 N/A GLU 238.A N ARG 234.A O no hydrogen 2.868 N/A THR 239.A N LYS 235.A O no hydrogen 3.113 N/A THR 239.A OG1 LYS 235.A O no hydrogen 2.775 N/A VAL 240.A N GLU 236.A O no hydrogen 2.993 N/A ARG 241.A N TYR 237.A O no hydrogen 2.881 N/A ARG 241.A NE ALA 193.A O no hydrogen 3.045 N/A ARG 241.A NH1 GLU 238.A OE2 no hydrogen 2.469 N/A ARG 241.A NH2 GLU 197.A OE1 no hydrogen 3.341 N/A ILE 242.A N GLU 238.A O no hydrogen 3.006 N/A ILE 242.A N THR 239.A O no hydrogen 3.135 N/A GLN 243.A N THR 239.A O no hydrogen 2.852 N/A HIS 244.A N VAL 240.A O no hydrogen 3.096 N/A ARG 246.A N ILE 242.A O no hydrogen 3.442 N/A LYS 247.A NZ ASP 575.A OD2 no hydrogen 3.365 N/A LYS 248.A N ARG 246.A O no hydrogen 2.267 N/A VAL 254.A N GLN 382.A O no hydrogen 3.133 N/A LEU 256.A N ASP 548.A OD1 no hydrogen 2.769 N/A ALA 258.A N THR 255.A OG1 no hydrogen 2.911 N/A ALA 259.A N THR 255.A O no hydrogen 3.004 N/A ARG 260.A N LEU 256.A O no hydrogen 2.959 N/A ARG 260.A NE ASP 359.A OD2 no hydrogen 2.740 N/A ARG 260.A NH2 ASP 359.A OD2 no hydrogen 2.978 N/A ARG 260.A NH2 ASP 552.A OD2 no hydrogen 2.672 N/A ASP 261.A N GLU 257.A O no hydrogen 3.063 N/A ASN 262.A N ALA 258.A O no hydrogen 3.192 N/A ASN 262.A ND2 PHE 388.A O no hydrogen 2.965 N/A ASN 262.A ND2 ASN 390.A OD1 no hydrogen 2.759 N/A PHE 264.A N ASP 395.A OD2 no hydrogen 3.027 N/A GLN 269.A NE2 SER 402.A O no hydrogen 2.749 N/A TYR 271.A N TRP 268.A O no hydrogen 3.045 N/A HIS 277.A N TRP 462.A O no hydrogen 2.818 N/A ARG 278.A N TYR 461.A O no hydrogen 2.722 N/A GLY 280.A N LEU 351.A O no hydrogen 2.750 N/A GLN 282.A N VAL 349.A O no hydrogen 2.881 N/A VAL 284.A N GLY 347.A O no hydrogen 2.861 N/A SER 287.A OG THR 290.A OG1 no hydrogen 2.879 N/A THR 290.A N SER 287.A OG no hydrogen 2.732 N/A THR 290.A OG1 SER 287.A OG no hydrogen 2.879 N/A LEU 291.A N SER 287.A O no hydrogen 2.949 N/A ARG 292.A N ILE 288.A O no hydrogen 2.941 N/A ARG 292.A NH1 GLU 289.A OE2 no hydrogen 3.238 N/A ARG 292.A NH1 ASP 335.A OD1 no hydrogen 2.722 N/A ARG 292.A NH2 ASN 331.A O no hydrogen 3.556 N/A ARG 292.A NH2 ASN 331.A OD1 no hydrogen 2.696 N/A ARG 292.A NH2 ASP 335.A OD1 no hydrogen 3.414 N/A TYR 294.A N LEU 291.A O no hydrogen 2.780 N/A TYR 294.A OH GLU 455.A OE2 no hydrogen 2.377 N/A ILE 295.A N ARG 292.A O no hydrogen 3.269 N/A THR 298.A N ASP 296.A OD1 no hydrogen 3.318 N/A PHE 300.A N TRP 297.A O no hydrogen 2.947 N/A PHE 301.A N TRP 297.A O no hydrogen 3.048 N/A MET 302.A N THR 298.A O no hydrogen 2.885 N/A THR 303.A N PRO 299.A O no hydrogen 2.914 N/A THR 303.A OG1 PRO 299.A O no hydrogen 2.765 N/A TRP 304.A N PHE 300.A O no hydrogen 3.051 N/A SER 305.A N MET 302.A O no hydrogen 2.962 N/A SER 305.A OG SER 305.A O no hydrogen 2.426 N/A LEU 306.A N PHE 301.A O no hydrogen 2.989 N/A LYS 309.A NZ TYR 310.A O no hydrogen 3.007 N/A LYS 309.A NZ GLU 473.A OE2 no hydrogen 3.158 N/A TYR 310.A N THR 298.A OG1 no hydrogen 3.056 N/A ILE 313.A N LYS 309.A O no hydrogen 2.905 N/A LEU 314.A N PRO 311.A O no hydrogen 3.019 N/A GLU 315.A N ARG 312.A O no hydrogen 2.772 N/A ASP 316.A N ILE 313.A O no hydrogen 3.008 N/A VAL 318.A N ASP 316.A OD1 no hydrogen 2.624 N/A VAL 319.A N ASP 316.A OD1 no hydrogen 2.901 N/A GLY 320.A N ASP 316.A O no hydrogen 2.970 N/A ALA 323.A N VAL 319.A O no hydrogen 2.646 N/A GLN 324.A N GLY 320.A O no hydrogen 2.895 N/A GLN 324.A NE2 LEU 314.A O no hydrogen 2.873 N/A ARG 325.A N VAL 321.A O no hydrogen 3.158 N/A ARG 325.A NH1 GLU 322.A OE2 no hydrogen 3.401 N/A LEU 326.A N GLU 322.A O no hydrogen 2.918 N/A PHE 327.A N ALA 323.A O no hydrogen 2.839 N/A LYS 328.A N GLN 324.A O no hydrogen 2.862 N/A LYS 328.A NZ ASP 332.A OD1 no hydrogen 3.211 N/A LYS 328.A NZ ASP 332.A OD2 no hydrogen 3.474 N/A ASP 329.A N ARG 325.A O no hydrogen 2.856 N/A ALA 330.A N LEU 326.A O no hydrogen 2.931 N/A ASN 331.A N PHE 327.A O no hydrogen 2.872 N/A ASN 331.A ND2 PHE 327.A O no hydrogen 2.776 N/A ASP 332.A N LYS 328.A O no hydrogen 2.940 N/A MET 333.A N ASP 329.A O no hydrogen 2.893 N/A LEU 334.A N ALA 330.A O no hydrogen 2.932 N/A ASP 335.A N ASN 331.A O no hydrogen 2.978 N/A LYS 336.A N ASP 332.A O no hydrogen 3.106 N/A LEU 337.A N MET 333.A O no hydrogen 3.016 N/A SER 338.A N LEU 334.A O no hydrogen 3.059 N/A SER 338.A OG GLU 289.A OE2 no hydrogen 2.863 N/A ALA 339.A N ASP 335.A O no hydrogen 2.931 N/A GLU 340.A N LYS 336.A O no hydrogen 2.780 N/A LYS 341.A NZ SER 338.A O no hydrogen 2.632 N/A THR 342.A N LEU 337.A O no hydrogen 3.242 N/A ASN 344.A N GLU 418.A OE1 no hydrogen 3.054 N/A ASN 344.A ND2 LYS 341.A O no hydrogen 2.846 N/A ASN 344.A ND2 GLU 418.A OE2 no hydrogen 2.902 N/A ARG 346.A N THR 414.A O no hydrogen 2.951 N/A GLY 347.A N VAL 284.A O no hydrogen 3.035 N/A VAL 348.A N ALA 412.A O no hydrogen 2.805 N/A VAL 349.A N GLN 282.A O no hydrogen 2.657 N/A GLY 350.A N ALA 410.A O no hydrogen 2.915 N/A LEU 351.A N GLY 280.A O no hydrogen 2.922 N/A PHE 352.A N ILE 408.A O no hydrogen 2.855 N/A ALA 354.A N ASP 406.A O no hydrogen 2.931 N/A ASN 355.A N GLU 362.A O no hydrogen 3.068 N/A ASN 355.A ND2 ALA 398.A O no hydrogen 2.784 N/A ASN 355.A ND2 PRO 399.A O no hydrogen 3.432 N/A ASN 355.A ND2 LYS 404.A O no hydrogen 2.880 N/A ARG 356.A N ALA 398.A O no hydrogen 3.051 N/A ARG 356.A NE GLY 358.A O no hydrogen 2.781 N/A ARG 356.A NH1 ASP 263.A OD2 no hydrogen 2.937 N/A ARG 356.A NH2 ASP 263.A OD2 no hydrogen 2.942 N/A VAL 357.A N ASP 360.A O no hydrogen 3.011 N/A ASP 360.A N VAL 357.A O no hydrogen 3.110 N/A ILE 361.A N SER 376.A O no hydrogen 2.815 N/A GLU 362.A N ASN 355.A O no hydrogen 2.773 N/A ILE 363.A N ASN 374.A O no hydrogen 3.010 N/A TYR 364.A N PRO 353.A O no hydrogen 3.005 N/A TYR 364.A OH GLU 362.A OE1 no hydrogen 2.555 N/A ARG 365.A N HIS 371.A O no hydrogen 2.804 N/A THR 368.A N ASP 366.A OD1 no hydrogen 2.980 N/A THR 368.A OG1 ASP 366.A OD1 no hydrogen 2.939 N/A THR 368.A OG1 THR 370.A OG1 no hydrogen 2.811 N/A ARG 369.A N ASP 366.A O no hydrogen 3.030 N/A ARG 369.A NH1 ASN 355.A OD1 no hydrogen 2.983 N/A ARG 369.A NH1 ASP 406.A O no hydrogen 2.777 N/A ARG 369.A NH2 GLU 367.A OE2 no hydrogen 2.788 N/A ARG 369.A NH2 ASP 406.A O no hydrogen 3.030 N/A THR 370.A OG1 THR 368.A OG1 no hydrogen 2.811 N/A ILE 373.A N ILE 363.A O no hydrogen 2.829 N/A ASN 374.A N ILE 363.A O no hydrogen 3.443 N/A ASN 374.A ND2 GLU 503.A OE1 no hydrogen 2.875 N/A VAL 375.A N ASN 374.A OD1 no hydrogen 2.822 N/A SER 376.A N ILE 361.A O no hydrogen 2.915 N/A SER 376.A OG HIS 378.A NE2 no hydrogen 3.232 N/A HIS 377.A N GLU 497.A OE1 no hydrogen 3.135 N/A HIS 378.A N ASP 360.A OD1 no hydrogen 3.025 N/A ARG 380.A N GLN 549.A OE1 no hydrogen 2.597 N/A ARG 380.A NE ASP 359.A OD1 no hydrogen 2.903 N/A ARG 380.A NH1 ASN 390.A O no hydrogen 2.928 N/A ARG 380.A NH1 ASP 395.A OD1 no hydrogen 3.180 N/A ARG 380.A NH1 ASP 395.A OD2 no hydrogen 2.840 N/A ARG 380.A NH2 ASP 359.A OD1 no hydrogen 2.579 N/A ARG 380.A NH2 ASP 395.A OD1 no hydrogen 2.753 N/A GLN 381.A N TYR 391.A O no hydrogen 2.978 N/A GLN 381.A NE2 ALA 541.A O no hydrogen 2.857 N/A GLN 382.A NE2 VAL 254.A O no hydrogen 2.574 N/A GLN 382.A NE2 ASP 548.A OD2 no hydrogen 2.891 N/A GLU 384.A N PRO 252.A O no hydrogen 2.883 N/A LYS 385.A NZ GLN 381.A OE1 no hydrogen 2.957 N/A ASN 390.A N ASN 262.A O no hydrogen 2.823 N/A ASN 390.A ND2 GLN 381.A O no hydrogen 2.627 N/A ASN 390.A ND2 THR 383.A O no hydrogen 2.817 N/A TYR 391.A N GLN 381.A OE1 no hydrogen 2.841 N/A CYS 392.A SG ASP 359.A O no hydrogen 3.578 N/A CYS 392.A SG LEU 379.A O no hydrogen 3.210 N/A ASP 395.A N CYS 392.A O no hydrogen 2.999 N/A PHE 396.A N LEU 393.A O no hydrogen 3.002 N/A VAL 397.A N ALA 394.A O no hydrogen 2.789 N/A ALA 398.A N ASP 406.A OD2 no hydrogen 2.707 N/A LYS 400.A N ARG 356.A O no hydrogen 2.911 N/A LYS 400.A NZ GLU 362.A OE1 no hydrogen 3.241 N/A SER 402.A N PRO 399.A O no hydrogen 3.102 N/A SER 402.A OG PRO 399.A O no hydrogen 3.060 N/A GLY 403.A N LYS 400.A O no hydrogen 3.266 N/A LYS 404.A N SER 402.A OG no hydrogen 2.588 N/A LYS 404.A NZ GLN 269.A O no hydrogen 3.490 N/A LYS 404.A NZ TYR 271.A O no hydrogen 3.142 N/A TYR 407.A N ASP 406.A OD1 no hydrogen 2.876 N/A TYR 407.A OH GLU 367.A OE1 no hydrogen 2.527 N/A TYR 407.A OH GLU 367.A OE2 no hydrogen 3.258 N/A ILE 408.A N PHE 352.A O no hydrogen 2.819 N/A GLY 409.A N TYR 531.A O no hydrogen 3.214 N/A ALA 410.A N GLY 350.A O no hydrogen 3.043 N/A PHE 411.A N GLY 529.A O no hydrogen 2.923 N/A ALA 412.A N VAL 348.A O no hydrogen 3.211 N/A VAL 413.A N VAL 527.A O no hydrogen 2.779 N/A THR 414.A N ARG 346.A O no hydrogen 2.822 N/A THR 414.A OG1 ALA 525.A O no hydrogen 2.781 N/A THR 414.A OG1 SER 526.A OG no hydrogen 3.362 N/A GLY 415.A N ALA 525.A O no hydrogen 2.949 N/A GLY 416.A N THR 414.A OG1 no hydrogen 3.376 N/A GLU 418.A N GLU 418.A OE1 no hydrogen 2.650 N/A GLU 419.A N GLY 416.A O no hydrogen 3.185 N/A LEU 422.A N GLU 418.A O no hydrogen 2.926 N/A ALA 423.A N GLU 419.A O no hydrogen 2.946 N/A ASP 424.A N ASP 420.A O no hydrogen 2.897 N/A ALA 425.A N ALA 421.A O no hydrogen 3.031 N/A PHE 426.A N LEU 422.A O no hydrogen 3.234 N/A GLU 427.A N ALA 423.A O no hydrogen 2.906 N/A ALA 428.A N ASP 424.A O no hydrogen 2.687 N/A GLN 429.A N ALA 425.A O no hydrogen 3.042 N/A HIS 430.A N GLU 427.A O no hydrogen 2.859 N/A ASP 431.A N PHE 426.A O no hydrogen 2.882 N/A TYR 433.A OH ASP 329.A OD2 no hydrogen 2.513 N/A ASN 434.A N ASP 431.A OD1 no hydrogen 3.141 N/A LYS 435.A N ASP 431.A O no hydrogen 3.195 N/A LYS 435.A NZ GLU 427.A OE1 no hydrogen 2.862 N/A ILE 436.A N ASP 432.A O no hydrogen 3.012 N/A MET 437.A N TYR 433.A O no hydrogen 2.954 N/A VAL 438.A N ASN 434.A O no hydrogen 2.987 N/A ALA 440.A N ILE 436.A O no hydrogen 2.939 N/A LEU 441.A N MET 437.A O no hydrogen 2.807 N/A ALA 442.A N VAL 438.A O no hydrogen 2.772 N/A ASP 443.A N LYS 439.A O no hydrogen 3.151 N/A ARG 444.A N ALA 440.A O no hydrogen 3.140 N/A ARG 444.A NH1 ASP 296.A O no hydrogen 3.424 N/A LEU 445.A N LEU 441.A O no hydrogen 2.695 N/A ALA 446.A N ALA 442.A O no hydrogen 2.796 N/A GLU 447.A N ASP 443.A O no hydrogen 3.089 N/A ALA 448.A N ARG 444.A O no hydrogen 2.921 N/A PHE 449.A N LEU 445.A O no hydrogen 2.861 N/A ALA 450.A N ALA 446.A O no hydrogen 2.836 N/A GLU 451.A N GLU 447.A O no hydrogen 2.922 N/A TYR 452.A N ALA 448.A O no hydrogen 2.839 N/A LEU 453.A N PHE 449.A O no hydrogen 2.846 N/A HIS 454.A N ALA 450.A O no hydrogen 2.952 N/A GLU 455.A N GLU 451.A O no hydrogen 2.960 N/A ARG 456.A N TYR 452.A O no hydrogen 2.871 N/A ARG 456.A NE TYR 461.A OH no hydrogen 3.398 N/A VAL 457.A N LEU 453.A O no hydrogen 2.856 N/A VAL 457.A N HIS 454.A O no hydrogen 2.931 N/A ARG 458.A N HIS 454.A O no hydrogen 2.948 N/A ARG 458.A NE GLU 468.A OE1 no hydrogen 3.331 N/A ARG 458.A NE GLU 468.A OE2 no hydrogen 2.563 N/A ARG 458.A NH2 GLU 468.A OE1 no hydrogen 2.771 N/A LYS 459.A N GLU 455.A O no hydrogen 2.921 N/A LYS 459.A NZ GLU 468.A O no hydrogen 2.935 N/A VAL 460.A N ARG 456.A O no hydrogen 2.712 N/A TYR 461.A N ARG 456.A O no hydrogen 3.170 N/A TRP 462.A N VAL 457.A O no hydrogen 2.919 N/A GLY 463.A N VAL 457.A O no hydrogen 3.147 N/A TYR 464.A OH GLN 481.A O no hydrogen 2.711 N/A ALA 465.A N ARG 458.A O no hydrogen 3.107 N/A GLU 468.A N ALA 465.A O no hydrogen 3.306 N/A SER 471.A N GLU 474.A OE1 no hydrogen 3.142 N/A ASN 472.A ND2 ILE 295.A O no hydrogen 3.298 N/A GLU 474.A N SER 471.A OG no hydrogen 3.145 N/A LEU 475.A N SER 471.A O no hydrogen 3.010 N/A ILE 476.A N ASN 472.A O no hydrogen 2.961 N/A ARG 477.A N GLU 473.A O no hydrogen 3.064 N/A ARG 477.A NE GLU 473.A OE1 no hydrogen 2.431 N/A GLU 478.A N LEU 475.A O no hydrogen 2.868 N/A ASN 479.A N GLU 474.A O no hydrogen 3.151 N/A ILE 483.A N PHE 532.A O no hydrogen 3.134 N/A ARG 484.A N TYR 539.A OH no hydrogen 2.863 N/A ARG 484.A NH1 GLU 451.A OE1 no hydrogen 3.122 N/A ARG 484.A NH1 HIS 454.A ND1 no hydrogen 2.890 N/A ARG 484.A NH2 GLU 447.A OE1 no hydrogen 2.923 N/A GLY 488.A N CYS 492.A O no hydrogen 2.717 N/A TYR 489.A N ALA 486.A O no hydrogen 3.031 N/A CYS 492.A N TYR 489.A O no hydrogen 2.914 N/A THR 496.A N GLU 494.A OE1 no hydrogen 2.567 N/A THR 496.A OG1 GLU 494.A OE1 no hydrogen 2.718 N/A THR 496.A OG1 GLU 494.A OE2 no hydrogen 2.866 N/A GLU 497.A N GLU 494.A O no hydrogen 3.071 N/A LYS 498.A N HIS 495.A O no hydrogen 3.142 N/A LYS 498.A NZ HIS 495.A O no hydrogen 3.275 N/A LYS 498.A NZ PHE 519.A O no hydrogen 2.774 N/A ALA 499.A N THR 496.A O no hydrogen 2.995 N/A THR 500.A N GLU 497.A O no hydrogen 2.915 N/A THR 500.A OG1 GLU 497.A OE1 no hydrogen 2.710 N/A ILE 501.A N GLU 497.A O no hydrogen 3.428 N/A TRP 502.A N LYS 498.A O no hydrogen 2.809 N/A TRP 502.A NE1 MET 513.A O no hydrogen 3.091 N/A GLU 503.A N ALA 499.A O no hydrogen 2.849 N/A LEU 504.A N THR 500.A O no hydrogen 2.716 N/A LEU 505.A N ILE 501.A O no hydrogen 3.004 N/A GLU 506.A N GLU 503.A O no hydrogen 3.308 N/A VAL 507.A N TRP 502.A O no hydrogen 3.239 N/A HIS 510.A N GLU 506.A O no hydrogen 3.034 N/A HIS 510.A N VAL 507.A O no hydrogen 2.977 N/A HIS 510.A ND1 LEU 505.A O no hydrogen 2.737 N/A THR 511.A N VAL 507.A O no hydrogen 2.905 N/A THR 511.A OG1 VAL 507.A O no hydrogen 3.105 N/A GLY 512.A N GLU 508.A O no hydrogen 2.890 N/A MET 513.A N THR 511.A OG1 no hydrogen 3.099 N/A LYS 514.A N TRP 522.A O no hydrogen 3.076 N/A THR 516.A N ALA 520.A O no hydrogen 2.959 N/A THR 516.A OG1 GLY 106.A O no hydrogen 2.595 N/A SER 518.A N THR 516.A OG1 no hydrogen 3.167 N/A PHE 519.A N THR 516.A O no hydrogen 3.007 N/A ALA 520.A N THR 516.A OG1 no hydrogen 3.178 N/A TRP 522.A N LYS 514.A O no hydrogen 2.860 N/A TRP 522.A NE1 ASP 420.A OD1 no hydrogen 2.586 N/A ALA 525.A N GLU 419.A OE2 no hydrogen 3.187 N/A SER 526.A OG THR 414.A OG1 no hydrogen 3.362 N/A SER 526.A OG PRO 523.A O no hydrogen 2.590 N/A VAL 527.A N VAL 413.A O no hydrogen 2.866 N/A GLY 529.A N PHE 411.A O no hydrogen 3.048 N/A TRP 530.A N PRO 485.A O no hydrogen 3.038 N/A TYR 531.A N GLY 409.A O no hydrogen 2.939 N/A PHE 532.A N ILE 483.A O no hydrogen 3.208 N/A SER 537.A N HIS 534.A O no hydrogen 3.204 N/A SER 537.A OG HIS 534.A O no hydrogen 2.809 N/A VAL 542.A N PRO 490.A O no hydrogen 2.887 N/A ILE 545.A N ASN 571.A O no hydrogen 2.804 N/A GLN 546.A N GLN 382.A OE1 no hydrogen 2.912 N/A GLN 546.A NE2 GLY 573.A O no hydrogen 3.574 N/A ARG 547.A NE GLU 565.A OE2 no hydrogen 3.223 N/A ARG 547.A NH1 GLU 551.A OE2 no hydrogen 2.277 N/A GLN 549.A NE2 ARG 380.A O no hydrogen 3.046 N/A GLN 549.A NE2 GLN 382.A OE1 no hydrogen 2.889 N/A VAL 550.A N GLN 546.A O no hydrogen 3.066 N/A GLU 551.A N ARG 547.A O no hydrogen 2.926 N/A ASP 552.A N ASP 548.A O no hydrogen 3.119 N/A TYR 553.A N GLN 549.A O no hydrogen 2.737 N/A TYR 553.A OH GLU 494.A OE2 no hydrogen 2.446 N/A ALA 554.A N VAL 550.A O no hydrogen 2.773 N/A ARG 555.A N GLU 551.A O no hydrogen 2.956 N/A ARG 556.A N ASP 552.A O no hydrogen 3.063 N/A ARG 556.A NE ASP 360.A OD1 no hydrogen 3.225 N/A ARG 556.A NH1 ASP 552.A OD2 no hydrogen 2.903 N/A ARG 556.A NH2 ASP 360.A OD1 no hydrogen 3.307 N/A LYS 557.A NZ GLU 494.A OE2 no hydrogen 3.099 N/A LYS 557.A NZ THR 496.A OG1 no hydrogen 2.792 N/A LYS 557.A NZ GLU 497.A OE2 no hydrogen 2.915 N/A GLY 558.A N ARG 555.A O no hydrogen 3.343 N/A MET 559.A N ALA 554.A O no hydrogen 2.910 N/A SER 560.A OG THR 562.A OG1 no hydrogen 3.020 N/A THR 562.A OG1 SER 560.A OG no hydrogen 3.020 N/A GLU 563.A N SER 560.A OG no hydrogen 3.193 N/A VAL 564.A N SER 560.A O no hydrogen 2.990 N/A GLU 565.A N VAL 561.A O no hydrogen 2.725 N/A ARG 566.A N THR 562.A O no hydrogen 2.938 N/A TRP 567.A N GLU 563.A O no hydrogen 3.049 N/A LEU 568.A N VAL 564.A O no hydrogen 2.803 N/A ALA 569.A N ARG 566.A O no hydrogen 3.116 N/A ASN 571.A N LEU 568.A O no hydrogen 2.890 N/A ASN 571.A ND2 ALA 543.A O no hydrogen 3.057 N/A LEU 572.A N ALA 569.A O no hydrogen 3.296 N/A GLY 573.A N ILE 545.A O no hydrogen 2.804 N/A TYR 574.A OH GLU 565.A OE2 no hydrogen 2.710 N/A