Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wpo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N THR 1.A O no hydrogen 3.113 N/A ALA 6.A N THR 2.A O no hydrogen 2.943 N/A ARG 7.A N GLU 3.A O no hydrogen 3.037 N/A ASP 8.A N GLU 4.A O no hydrogen 3.137 N/A PHE 9.A N GLU 5.A O no hydrogen 2.998 N/A LEU 10.A N ALA 6.A O no hydrogen 3.011 N/A ASP 11.A N ARG 7.A O no hydrogen 2.972 N/A LYS 12.A N ASP 8.A O no hydrogen 2.992 N/A PHE 13.A N PHE 9.A O no hydrogen 2.893 N/A ASN 14.A N LEU 10.A O no hydrogen 2.855 N/A ASN 14.A ND2 GLN 77.A OE1 no hydrogen 2.899 N/A SER 15.A N ASP 11.A O no hydrogen 3.172 N/A GLU 16.A N LYS 12.A O no hydrogen 3.431 N/A ALA 17.A N PHE 13.A O no hydrogen 2.844 N/A GLU 18.A N ASN 14.A O no hydrogen 3.114 N/A ASN 19.A N SER 15.A O no hydrogen 3.380 N/A LEU 20.A N GLU 16.A O no hydrogen 2.862 N/A SER 21.A N ALA 17.A O no hydrogen 2.858 N/A HIS 22.A N GLU 18.A O no hydrogen 3.056 N/A HIS 22.A ND1 LEU 331.A O no hydrogen 3.280 N/A GLU 23.A N ASN 19.A O no hydrogen 3.288 N/A SER 24.A N LEU 20.A O no hydrogen 3.007 N/A SER 24.A OG LEU 20.A O no hydrogen 3.370 N/A SER 24.A OG ALA 46.A O no hydrogen 2.851 N/A ALA 25.A N SER 21.A O no hydrogen 2.797 N/A LEU 26.A N HIS 22.A O no hydrogen 2.896 N/A ALA 27.A N GLU 23.A O no hydrogen 3.056 N/A SER 28.A N SER 24.A O no hydrogen 3.042 N/A TRP 29.A N ALA 25.A O no hydrogen 2.927 N/A ASP 30.A N LEU 26.A O no hydrogen 2.844 N/A TYR 31.A N ALA 27.A O no hydrogen 3.002 N/A ASN 32.A N SER 28.A O no hydrogen 3.080 N/A THR 33.A N TRP 29.A O no hydrogen 2.894 N/A THR 33.A OG1 TRP 29.A O no hydrogen 2.850 N/A ASN 34.A N ASP 30.A O no hydrogen 2.950 N/A ILE 35.A N GLN 321.A O no hydrogen 3.355 N/A ASN 39.A N THR 36.A O no hydrogen 3.182 N/A ASN 39.A ND2 ASN 34.A O no hydrogen 3.119 N/A ALA 40.A N THR 36.A O no hydrogen 3.086 N/A GLN 41.A N ASP 37.A O no hydrogen 3.031 N/A LYS 42.A N GLU 38.A O no hydrogen 3.276 N/A MET 43.A N ASN 39.A O no hydrogen 2.904 N/A ASN 44.A N ALA 40.A O no hydrogen 2.946 N/A GLU 45.A N GLN 41.A O no hydrogen 2.926 N/A ALA 46.A N LYS 42.A O no hydrogen 2.966 N/A ASP 47.A N MET 43.A O no hydrogen 2.958 N/A SER 48.A N ASN 44.A O no hydrogen 2.976 N/A SER 48.A OG ASN 44.A O no hydrogen 2.936 N/A LYS 49.A N GLU 45.A O no hydrogen 3.040 N/A TRP 50.A N ALA 46.A O no hydrogen 3.120 N/A SER 51.A N ASP 47.A O no hydrogen 3.051 N/A SER 51.A OG ASP 47.A O no hydrogen 3.308 N/A ASP 52.A N SER 48.A O no hydrogen 3.076 N/A PHE 53.A N LYS 49.A O no hydrogen 3.066 N/A TYR 54.A N TRP 50.A O no hydrogen 2.846 N/A LYS 55.A N SER 51.A O no hydrogen 2.876 N/A GLU 56.A N ASP 52.A O no hydrogen 3.019 N/A GLN 57.A N PHE 53.A O no hydrogen 3.069 N/A GLN 57.A NE2 GLU 56.A OE1 no hydrogen 3.341 N/A SER 58.A N TYR 54.A O no hydrogen 2.936 N/A SER 58.A OG LYS 55.A O no hydrogen 2.730 N/A LYS 59.A N LYS 55.A O no hydrogen 3.211 N/A LYS 59.A N GLU 56.A O no hydrogen 2.880 N/A ARG 60.A N GLU 56.A O no hydrogen 3.282 N/A ALA 61.A N GLN 57.A O no hydrogen 2.884 N/A GLN 62.A N LYS 59.A O no hydrogen 3.330 N/A GLN 62.A NE2 SER 58.A O no hydrogen 3.285 N/A GLN 62.A NE2 GLN 82.A O no hydrogen 2.890 N/A ALA 63.A N ARG 60.A O no hydrogen 2.842 N/A PHE 64.A N ALA 61.A O no hydrogen 3.276 N/A ILE 69.A N LEU 66.A O no hydrogen 3.144 N/A THR 73.A N ASN 71.A OD1 no hydrogen 2.778 N/A THR 73.A OG1 ASN 71.A OD1 no hydrogen 2.743 N/A ILE 74.A N ASN 71.A OD1 no hydrogen 3.104 N/A LYS 75.A N ASN 71.A O no hydrogen 2.978 N/A LEU 76.A N LEU 72.A O no hydrogen 3.049 N/A GLN 77.A N THR 73.A O no hydrogen 3.068 N/A GLN 77.A NE2 THR 73.A O no hydrogen 3.003 N/A LEU 78.A N ILE 74.A O no hydrogen 2.948 N/A GLN 79.A N LYS 75.A O no hydrogen 3.017 N/A ILE 80.A N LEU 76.A O no hydrogen 3.066 N/A LEU 81.A N GLN 77.A O no hydrogen 3.071 N/A GLN 82.A N LEU 78.A O no hydrogen 2.801 N/A GLN 82.A NE2 ALA 61.A O no hydrogen 2.753 N/A GLN 82.A NE2 PHE 64.A O no hydrogen 2.839 N/A GLY 85.A N ASN 174.A OD1 no hydrogen 2.903 N/A SER 87.A N ASN 84.A O no hydrogen 3.237 N/A LEU 89.A N SER 86.A O no hydrogen 3.324 N/A LYS 93.A NZ GLU 169.A OE1 no hydrogen 2.860 N/A SER 94.A N THR 90.A O no hydrogen 2.846 N/A LYS 95.A N ALA 91.A O no hydrogen 3.050 N/A ARG 96.A N GLU 92.A O no hydrogen 2.986 N/A LEU 97.A N LYS 93.A O no hydrogen 2.879 N/A SER 98.A N SER 94.A O no hydrogen 3.091 N/A THR 99.A N LYS 95.A O no hydrogen 3.005 N/A THR 99.A OG1 LYS 95.A O no hydrogen 2.945 N/A ILE 100.A N ARG 96.A O no hydrogen 2.897 N/A LEU 101.A N LEU 97.A O no hydrogen 2.847 N/A THR 102.A N SER 98.A O no hydrogen 2.900 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.957 N/A THR 103.A N THR 99.A O no hydrogen 2.918 N/A THR 103.A OG1 THR 99.A O no hydrogen 2.858 N/A MET 104.A N ILE 100.A O no hydrogen 2.966 N/A SER 105.A N LEU 101.A O no hydrogen 3.136 N/A SER 105.A OG ASN 488.A OD1 no hydrogen 2.810 N/A THR 106.A N THR 102.A O no hydrogen 3.026 N/A THR 106.A OG1 THR 102.A O no hydrogen 3.084 N/A ILE 107.A N THR 103.A O no hydrogen 2.936 N/A TYR 108.A N MET 104.A O no hydrogen 3.216 N/A SER 109.A N SER 105.A O no hydrogen 2.917 N/A THR 110.A N THR 106.A O no hydrogen 3.229 N/A GLY 111.A N TYR 108.A O no hydrogen 3.311 N/A VAL 113.A N PHE 123.A O no hydrogen 3.133 N/A ASN 115.A N GLN 121.A O no hydrogen 3.115 N/A ASN 117.A N ASN 115.A OD1 no hydrogen 2.853 N/A ASN 117.A ND2 THR 655.A O no hydrogen 2.873 N/A ASN 118.A N ASN 115.A OD1 no hydrogen 2.983 N/A ASN 118.A ND2 GLN 121.A OE1 no hydrogen 2.977 N/A GLN 120.A N ASN 118.A O no hydrogen 2.893 N/A GLN 121.A N ASN 118.A O no hydrogen 3.348 N/A PHE 123.A N VAL 113.A O no hydrogen 3.195 N/A LEU 128.A N THR 124.A O no hydrogen 2.863 N/A GLU 129.A N LEU 125.A O no hydrogen 2.969 N/A ASP 130.A N SER 126.A O no hydrogen 3.266 N/A ILE 131.A N GLY 127.A O no hydrogen 3.131 N/A MET 132.A N LEU 128.A O no hydrogen 2.809 N/A GLU 133.A N GLU 129.A O no hydrogen 2.768 N/A GLU 133.A N ASP 130.A O no hydrogen 3.274 N/A LYS 134.A N ASP 130.A O no hydrogen 3.056 N/A SER 135.A N ILE 131.A O no hydrogen 2.866 N/A SER 135.A OG ILE 131.A O no hydrogen 2.984 N/A ARG 141.A N ASP 137.A O no hydrogen 2.983 N/A ARG 141.A NE HIS 245.A O no hydrogen 2.782 N/A ARG 141.A NH1 HIS 245.A O no hydrogen 2.815 N/A ARG 141.A NH2 MET 132.A O no hydrogen 2.614 N/A ARG 141.A NH2 SER 135.A O no hydrogen 3.023 N/A LEU 142.A N TYR 138.A O no hydrogen 3.112 N/A TRP 143.A N HIS 139.A O no hydrogen 3.144 N/A VAL 144.A N GLN 140.A O no hydrogen 3.233 N/A TRP 145.A N ARG 141.A O no hydrogen 3.054 N/A GLU 146.A N LEU 142.A O no hydrogen 2.819 N/A GLY 147.A N TRP 143.A O no hydrogen 2.815 N/A TRP 148.A N VAL 144.A O no hydrogen 3.164 N/A TRP 148.A NE1 SER 482.A O no hydrogen 3.337 N/A ARG 149.A N TRP 145.A O no hydrogen 3.361 N/A ARG 149.A NH1 TRP 145.A O no hydrogen 3.409 N/A ARG 149.A NH1 MET 250.A O no hydrogen 2.776 N/A ARG 149.A NH2 MET 250.A O no hydrogen 2.847 N/A SER 150.A N GLU 146.A O no hydrogen 3.142 N/A GLU 151.A N GLY 147.A O no hydrogen 2.794 N/A VAL 152.A N TRP 148.A O no hydrogen 2.867 N/A GLY 153.A N TRP 148.A O no hydrogen 3.389 N/A LYS 154.A N ARG 149.A O no hydrogen 3.268 N/A GLN 155.A N VAL 152.A O no hydrogen 3.105 N/A GLN 155.A NE2 GLU 151.A O no hydrogen 2.817 N/A LEU 156.A N VAL 152.A O no hydrogen 3.033 N/A LEU 156.A N GLY 153.A O no hydrogen 3.077 N/A ARG 157.A N GLY 153.A O no hydrogen 3.008 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 2.911 N/A ARG 157.A NH1 GLU 475.A OE1 no hydrogen 3.181 N/A ARG 157.A NH1 TYR 477.A O no hydrogen 2.968 N/A ARG 157.A NH2 GLU 161.A OE2 no hydrogen 3.241 N/A ARG 157.A NH2 GLU 475.A OE1 no hydrogen 3.424 N/A LEU 159.A N LEU 156.A O no hydrogen 2.941 N/A TYR 160.A N LEU 156.A O no hydrogen 2.999 N/A GLU 161.A N ARG 157.A O no hydrogen 3.310 N/A GLU 162.A N LEU 159.A O no hydrogen 3.236 N/A TYR 163.A N LEU 159.A O no hydrogen 2.859 N/A VAL 164.A N TYR 160.A O no hydrogen 2.752 N/A LEU 166.A N GLU 162.A O no hydrogen 3.110 N/A LYS 167.A N TYR 163.A O no hydrogen 2.933 N/A LYS 167.A NZ ASP 489.A OD2 no hydrogen 2.441 N/A ASN 168.A N VAL 164.A O no hydrogen 3.129 N/A ASN 168.A ND2 PHE 444.A O no hydrogen 2.847 N/A GLU 169.A N VAL 165.A O no hydrogen 3.028 N/A MET 170.A N LEU 166.A O no hydrogen 3.046 N/A ALA 171.A N LYS 167.A O no hydrogen 3.026 N/A ARG 172.A N ASN 168.A O no hydrogen 2.951 N/A GLY 173.A N GLU 169.A O no hydrogen 3.164 N/A ASN 174.A N ALA 171.A O no hydrogen 2.934 N/A ASN 174.A ND2 GLY 85.A O no hydrogen 3.103 N/A ASN 174.A ND2 MET 170.A O no hydrogen 2.860 N/A ASN 175.A N ARG 172.A O no hydrogen 3.014 N/A TYR 176.A N ALA 171.A O no hydrogen 3.123 N/A GLU 177.A N ASP 181.A OD2 no hydrogen 3.099 N/A TYR 179.A N ASN 168.A OD1 no hydrogen 2.892 N/A TYR 179.A OH ASP 489.A OD1 no hydrogen 2.863 N/A ASP 181.A N ASP 178.A OD1 no hydrogen 3.093 N/A TYR 182.A N ASP 178.A O no hydrogen 3.302 N/A TRP 183.A N TYR 179.A O no hydrogen 3.137 N/A ARG 184.A N GLY 180.A O no hydrogen 2.810 N/A ARG 184.A NH2 ASP 181.A OD1 no hydrogen 2.500 N/A GLY 185.A N ASP 181.A O no hydrogen 2.708 N/A ASP 186.A N TRP 183.A O no hydrogen 3.169 N/A TYR 187.A N ARG 184.A O no hydrogen 3.053 N/A TYR 187.A OH GLU 378.A OE2 no hydrogen 2.559 N/A TYR 187.A OH THR 497.A OG1 no hydrogen 3.384 N/A GLU 188.A N GLY 185.A O no hydrogen 3.051 N/A THR 189.A N TYR 197.A O no hydrogen 3.296 N/A GLY 191.A N TYR 195.A O no hydrogen 2.727 N/A TYR 195.A N GLU 192.A O no hydrogen 2.957 N/A TYR 197.A N THR 189.A O no hydrogen 2.953 N/A ARG 199.A NH1 GLU 188.A OE1 no hydrogen 3.180 N/A ARG 199.A NH2 ASP 181.A OD2 no hydrogen 3.192 N/A ASN 200.A N SER 198.A OG no hydrogen 2.977 N/A GLN 201.A N SER 198.A O no hydrogen 3.371 N/A LEU 202.A N ARG 199.A O no hydrogen 3.366 N/A ASP 205.A N GLN 201.A O no hydrogen 2.603 N/A VAL 206.A N LEU 202.A O no hydrogen 2.970 N/A ASP 207.A N MET 203.A O no hydrogen 3.215 N/A ARG 208.A N GLU 204.A O no hydrogen 3.126 N/A ARG 208.A NH2 MET 559.A O no hydrogen 2.894 N/A ILE 209.A N ASP 205.A O no hydrogen 2.960 N/A PHE 210.A N VAL 206.A O no hydrogen 2.858 N/A LEU 211.A N ASP 207.A O no hydrogen 3.115 N/A GLU 212.A N ARG 208.A O no hydrogen 3.268 N/A ILE 213.A N ILE 209.A O no hydrogen 3.333 N/A ILE 213.A N PHE 210.A O no hydrogen 3.297 N/A LYS 214.A N LEU 211.A O no hydrogen 2.937 N/A TYR 217.A N ILE 213.A O no hydrogen 3.215 N/A TYR 217.A OH VAL 465.A O no hydrogen 2.703 N/A GLU 218.A N LYS 214.A O no hydrogen 2.852 N/A GLN 219.A N PRO 215.A O no hydrogen 3.129 N/A LEU 220.A N LEU 216.A O no hydrogen 3.034 N/A HIS 221.A N TYR 217.A O no hydrogen 2.784 N/A HIS 221.A NE2 GLY 240.A O no hydrogen 2.953 N/A ALA 222.A N GLU 218.A O no hydrogen 3.057 N/A TYR 223.A N GLN 219.A O no hydrogen 3.198 N/A TYR 223.A OH THR 262.A O no hydrogen 2.743 N/A VAL 224.A N LEU 220.A O no hydrogen 2.905 N/A ARG 225.A N HIS 221.A O no hydrogen 2.855 N/A ARG 225.A NH1 GLY 240.A O no hydrogen 3.250 N/A ARG 225.A NH1 GLY 584.A O no hydrogen 2.990 N/A ARG 225.A NH2 SER 582.A O no hydrogen 3.054 N/A ALA 226.A N ALA 222.A O no hydrogen 2.982 N/A LYS 227.A N TYR 223.A O no hydrogen 3.101 N/A LEU 228.A N VAL 224.A O no hydrogen 2.734 N/A MET 229.A N ARG 225.A O no hydrogen 2.919 N/A ASN 230.A N LYS 227.A O no hydrogen 3.135 N/A ALA 231.A N LEU 228.A O no hydrogen 2.875 N/A TYR 232.A N LEU 228.A O no hydrogen 3.078 N/A ARG 235.A N TYR 232.A O no hydrogen 3.320 N/A ARG 235.A NH1 SER 658.A O no hydrogen 3.039 N/A SER 237.A OG THR 239.A O no hydrogen 3.439 N/A CYS 241.A SG ARG 462.A O no hydrogen 3.909 N/A CYS 241.A SG SER 586.A O no hydrogen 3.567 N/A LEU 242.A N GLY 466.A O no hydrogen 2.909 N/A ALA 244.A N VAL 468.A O no hydrogen 3.071 N/A LEU 246.A N PRO 243.A O no hydrogen 3.130 N/A LEU 247.A N ALA 244.A O no hydrogen 3.359 N/A MET 250.A N ASP 249.A OD1 no hydrogen 2.674 N/A TRP 251.A NE1 SER 482.A O no hydrogen 2.890 N/A TRP 255.A N LEU 424.A O no hydrogen 3.235 N/A ASN 257.A ND2 GLU 133.A OE2 no hydrogen 3.004 N/A ASN 257.A ND2 GLY 248.A O no hydrogen 2.996 N/A LEU 258.A N TRP 255.A O no hydrogen 3.080 N/A TYR 259.A N THR 256.A O no hydrogen 3.281 N/A LEU 261.A N LEU 258.A O no hydrogen 2.915 N/A THR 262.A N TYR 259.A O no hydrogen 2.903 N/A THR 262.A OG1 LEU 258.A O no hydrogen 3.031 N/A THR 262.A OG1 TYR 259.A O no hydrogen 3.121 N/A PHE 265.A N ASN 417.A OD1 no hydrogen 3.023 N/A LYS 268.A N PHE 265.A O no hydrogen 3.092 N/A MET 277.A N VAL 273.A O no hydrogen 2.788 N/A LYS 278.A N THR 274.A O no hydrogen 3.160 N/A LYS 278.A NZ VAL 344.A O no hydrogen 3.194 N/A LYS 279.A N GLU 275.A O no hydrogen 3.044 N/A GLN 280.A N THR 276.A O no hydrogen 2.841 N/A SER 281.A N LYS 278.A O no hydrogen 2.982 N/A TRP 282.A N MET 277.A O no hydrogen 3.042 N/A LYS 286.A N ASP 283.A OD1 no hydrogen 2.960 N/A ILE 287.A N ASP 283.A O no hydrogen 3.022 N/A PHE 288.A N ALA 284.A O no hydrogen 3.043 N/A LYS 289.A N GLU 285.A O no hydrogen 2.669 N/A GLU 290.A N LYS 286.A O no hydrogen 2.753 N/A ALA 291.A N ILE 287.A O no hydrogen 3.175 N/A GLU 292.A N PHE 288.A O no hydrogen 3.081 N/A LYS 293.A N LYS 289.A O no hydrogen 3.070 N/A LYS 293.A NZ GLU 290.A OE1 no hydrogen 3.015 N/A PHE 294.A N GLU 290.A O no hydrogen 3.128 N/A TYR 295.A N ALA 291.A O no hydrogen 3.093 N/A TYR 295.A OH HIS 353.A O no hydrogen 2.690 N/A LEU 296.A N GLU 292.A O no hydrogen 2.924 N/A SER 297.A N LYS 293.A O no hydrogen 2.925 N/A SER 297.A OG PHE 294.A O no hydrogen 3.104 N/A VAL 298.A N PHE 294.A O no hydrogen 3.112 N/A GLY 299.A N TYR 295.A O no hydrogen 3.060 N/A LEU 300.A N TYR 295.A O no hydrogen 3.006 N/A TYR 301.A N GLN 360.A OE1 no hydrogen 2.831 N/A PHE 307.A N THR 304.A O no hydrogen 3.212 N/A ASN 309.A N GLN 305.A O no hydrogen 3.034 N/A ASN 309.A ND2 GLN 305.A O no hydrogen 3.478 N/A ASN 310.A N GLY 306.A O no hydrogen 2.522 N/A SER 311.A N PHE 307.A O no hydrogen 3.088 N/A SER 311.A OG PHE 307.A O no hydrogen 2.878 N/A MET 312.A N ILE 338.A O no hydrogen 3.033 N/A ARG 320.A NH2 ASP 318.A OD2 no hydrogen 3.133 N/A THR 327.A N LYS 339.A O no hydrogen 3.195 N/A TRP 329.A N ARG 337.A O no hydrogen 2.929 N/A LEU 331.A N ASP 335.A O no hydrogen 3.071 N/A GLY 332.A N ASP 330.A OD1 no hydrogen 2.893 N/A ASP 335.A N GLY 332.A O no hydrogen 2.943 N/A ARG 337.A N TRP 329.A O no hydrogen 3.112 N/A ARG 337.A NE ASP 335.A OD1 no hydrogen 2.907 N/A ARG 337.A NH2 ASP 335.A OD2 no hydrogen 2.904 N/A ILE 338.A N SER 311.A OG no hydrogen 3.121 N/A LYS 339.A N THR 327.A O no hydrogen 3.171 N/A LYS 339.A NZ VAL 323.A O no hydrogen 2.776 N/A MET 340.A N MET 312.A O no hydrogen 2.806 N/A THR 342.A N LEU 313.A O no hydrogen 2.952 N/A THR 342.A OG1 LEU 313.A O no hydrogen 3.025 N/A LYS 343.A N ASP 348.A OD2 no hydrogen 2.854 N/A MET 346.A N THR 274.A OG1 no hydrogen 3.389 N/A PHE 349.A N THR 345.A O no hydrogen 2.912 N/A LEU 350.A N MET 346.A O no hydrogen 3.078 N/A THR 351.A N ASP 347.A O no hydrogen 2.961 N/A THR 351.A OG1 ASP 347.A O no hydrogen 2.798 N/A ALA 352.A N ASP 348.A O no hydrogen 2.899 N/A HIS 353.A N LEU 350.A O no hydrogen 3.200 N/A HIS 353.A ND1 PHE 349.A O no hydrogen 3.013 N/A HIS 354.A N LEU 350.A O no hydrogen 3.255 N/A HIS 354.A NE2 GLU 382.A OE1 no hydrogen 2.973 N/A GLU 355.A N THR 351.A O no hydrogen 3.016 N/A MET 356.A N ALA 352.A O no hydrogen 3.036 N/A GLY 357.A N HIS 353.A O no hydrogen 2.824 N/A HIS 358.A N HIS 354.A O no hydrogen 3.134 N/A ILE 359.A N GLU 355.A O no hydrogen 3.238 N/A GLN 360.A N MET 356.A O no hydrogen 2.993 N/A GLN 360.A NE2 TYR 301.A O no hydrogen 2.606 N/A TYR 361.A N GLY 357.A O no hydrogen 3.185 N/A ASP 362.A N HIS 358.A O no hydrogen 2.879 N/A MET 363.A N ILE 359.A O no hydrogen 2.803 N/A ALA 364.A N GLN 360.A O no hydrogen 3.224 N/A TYR 365.A N TYR 361.A O no hydrogen 3.199 N/A ALA 366.A N MET 363.A O no hydrogen 2.973 N/A GLN 368.A N TYR 365.A O no hydrogen 2.987 N/A GLN 368.A NE2 GLU 539.A O no hydrogen 2.857 N/A LEU 372.A N PRO 369.A O no hydrogen 2.799 N/A ARG 373.A N TYR 370.A O no hydrogen 3.202 N/A ARG 373.A NE GLN 368.A O no hydrogen 2.629 N/A ARG 373.A NH2 GLN 368.A O no hydrogen 3.511 N/A ASN 374.A N LEU 372.A O no hydrogen 2.911 N/A GLY 375.A N ASN 374.A OD1 no hydrogen 2.743 N/A ALA 376.A N TYR 361.A OH no hydrogen 3.336 N/A GLY 379.A N ASN 377.A OD1 no hydrogen 2.785 N/A PHE 380.A N ASN 377.A O no hydrogen 3.305 N/A PHE 380.A N ASN 377.A OD1 no hydrogen 3.354 N/A ALA 383.A N GLY 379.A O no hydrogen 3.002 N/A VAL 384.A N PHE 380.A O no hydrogen 3.039 N/A GLU 386.A N GLU 382.A O no hydrogen 2.887 N/A VAL 387.A N ALA 383.A O no hydrogen 3.226 N/A MET 388.A N VAL 384.A O no hydrogen 3.224 N/A SER 389.A N GLY 385.A O no hydrogen 3.087 N/A LEU 390.A N GLU 386.A O no hydrogen 2.945 N/A SER 391.A N VAL 387.A O no hydrogen 3.141 N/A VAL 392.A N SER 389.A O no hydrogen 3.062 N/A ALA 393.A N SER 389.A O no hydrogen 3.022 N/A THR 394.A N LEU 390.A O no hydrogen 3.462 N/A LYS 396.A N THR 394.A OG1 no hydrogen 3.355 N/A HIS 397.A N THR 394.A O no hydrogen 2.994 N/A LEU 398.A N THR 394.A O no hydrogen 3.399 N/A LYS 399.A N PRO 395.A O no hydrogen 2.820 N/A LYS 399.A NZ SER 406.A O no hydrogen 3.460 N/A LYS 399.A NZ PHE 408.A O no hydrogen 2.722 N/A GLY 400.A N LYS 396.A O no hydrogen 3.177 N/A MET 401.A N HIS 397.A O no hydrogen 2.866 N/A GLY 402.A N LYS 399.A O no hydrogen 2.901 N/A LEU 403.A N LEU 398.A O no hydrogen 3.005 N/A LEU 404.A N LEU 398.A O no hydrogen 3.222 N/A PHE 408.A N PRO 405.A O no hydrogen 2.898 N/A GLU 415.A N ASP 411.A O no hydrogen 3.120 N/A ASN 417.A N GLU 413.A O no hydrogen 3.107 N/A ASN 417.A ND2 PHE 265.A O no hydrogen 3.432 N/A PHE 418.A N THR 414.A O no hydrogen 3.012 N/A LEU 419.A N GLU 415.A O no hydrogen 3.087 N/A LEU 420.A N ILE 416.A O no hydrogen 2.963 N/A LYS 421.A N ASN 417.A O no hydrogen 3.142 N/A GLN 422.A N PHE 418.A O no hydrogen 3.044 N/A ALA 423.A N LEU 419.A O no hydrogen 2.831 N/A LEU 424.A N LEU 420.A O no hydrogen 2.834 N/A ASN 425.A N LYS 421.A O no hydrogen 3.163 N/A ILE 426.A N GLN 422.A O no hydrogen 2.705 N/A GLY 428.A N ALA 423.A O no hydrogen 2.921 N/A THR 429.A OG1 ARG 253.A O no hydrogen 3.027 N/A LEU 430.A N ILE 426.A O no hydrogen 3.119 N/A PHE 432.A N THR 429.A O no hydrogen 2.853 N/A THR 433.A N THR 429.A O no hydrogen 3.052 N/A TYR 434.A N LEU 430.A O no hydrogen 3.025 N/A TYR 434.A OH ASP 207.A OD1 no hydrogen 3.328 N/A MET 435.A N PRO 431.A O no hydrogen 3.021 N/A LEU 436.A N PHE 432.A O no hydrogen 2.968 N/A GLU 437.A N THR 433.A O no hydrogen 3.181 N/A LYS 438.A N TYR 434.A O no hydrogen 2.940 N/A TRP 439.A N MET 435.A O no hydrogen 3.004 N/A TRP 439.A NE1 TRP 453.A O no hydrogen 3.195 N/A ARG 440.A N LEU 436.A O no hydrogen 2.839 N/A ARG 440.A NH1 TYR 490.A O no hydrogen 2.834 N/A TRP 441.A N GLU 437.A O no hydrogen 2.855 N/A MET 442.A N LYS 438.A O no hydrogen 3.296 N/A VAL 443.A N TRP 439.A O no hydrogen 2.968 N/A PHE 444.A N ARG 440.A O no hydrogen 3.045 N/A GLU 445.A N TRP 441.A O no hydrogen 2.831 N/A GLY 446.A N MET 442.A O no hydrogen 2.909 N/A LYS 447.A N MET 442.A O no hydrogen 2.877 N/A GLU 451.A N GLU 451.A OE1 no hydrogen 2.692 N/A GLN 452.A N PRO 449.A O no hydrogen 2.828 N/A TRP 453.A N LYS 450.A O no hydrogen 3.208 N/A TRP 453.A NE1 ILE 448.A O no hydrogen 3.039 N/A MET 454.A N GLU 475.A OE1 no hydrogen 2.861 N/A GLU 455.A N GLU 475.A OE2 no hydrogen 3.061 N/A LYS 456.A N GLN 452.A O no hydrogen 3.020 N/A TRP 457.A N TRP 453.A O no hydrogen 3.054 N/A TRP 458.A N MET 454.A O no hydrogen 3.197 N/A TRP 458.A NE1 ASP 479.A OD2 no hydrogen 2.994 N/A GLU 459.A N GLU 455.A O no hydrogen 3.150 N/A MET 460.A N LYS 456.A O no hydrogen 2.890 N/A LYS 461.A N TRP 457.A O no hydrogen 3.037 N/A ARG 462.A N TRP 458.A O no hydrogen 3.170 N/A ARG 462.A NH1 TRP 589.A O no hydrogen 3.436 N/A GLU 463.A N GLU 459.A O no hydrogen 3.211 N/A ILE 464.A N MET 460.A O no hydrogen 2.879 N/A VAL 465.A N LYS 461.A O no hydrogen 2.847 N/A GLY 466.A N LYS 461.A O no hydrogen 3.079 N/A VAL 468.A N LEU 242.A O no hydrogen 2.977 N/A TYR 477.A N ASP 474.A O no hydrogen 3.477 N/A SER 482.A N ASP 479.A O no hydrogen 2.869 N/A LEU 483.A N PRO 480.A O no hydrogen 3.402 N/A HIS 485.A NE2 TYR 495.A OH no hydrogen 3.013 N/A VAL 486.A N LEU 483.A O no hydrogen 3.213 N/A ALA 487.A N LEU 483.A O no hydrogen 3.127 N/A ASN 488.A N PHE 484.A O no hydrogen 2.877 N/A ASN 488.A ND2 PHE 484.A O no hydrogen 3.097 N/A ASP 489.A N VAL 486.A O no hydrogen 3.286 N/A TYR 490.A N HIS 485.A O no hydrogen 2.870 N/A PHE 492.A N GLU 437.A OE2 no hydrogen 3.135 N/A TYR 495.A N PHE 492.A O no hydrogen 2.953 N/A TYR 495.A OH HIS 485.A NE2 no hydrogen 3.013 N/A PHE 496.A N ILE 493.A O no hydrogen 2.894 N/A THR 497.A N ILE 493.A O no hydrogen 3.251 N/A THR 497.A OG1 TYR 187.A OH no hydrogen 3.384 N/A ARG 498.A N ARG 494.A O no hydrogen 3.053 N/A THR 499.A OG1 TYR 495.A O no hydrogen 3.178 N/A ILE 500.A N PHE 496.A O no hydrogen 3.303 N/A LEU 501.A N THR 497.A O no hydrogen 2.876 N/A GLU 502.A N ARG 498.A O no hydrogen 2.840 N/A PHE 503.A N THR 499.A O no hydrogen 3.321 N/A GLN 504.A N ILE 500.A O no hydrogen 3.189 N/A GLN 504.A NE2 GLU 558.A O no hydrogen 2.993 N/A PHE 505.A N LEU 501.A O no hydrogen 2.851 N/A GLN 506.A N GLU 502.A O no hydrogen 2.986 N/A GLU 507.A N PHE 503.A O no hydrogen 3.014 N/A ALA 508.A N GLN 504.A O no hydrogen 3.248 N/A LEU 509.A N PHE 505.A O no hydrogen 3.009 N/A CYS 510.A N GLN 506.A O no hydrogen 3.033 N/A CYS 510.A SG GLN 506.A O no hydrogen 3.154 N/A LYS 511.A N GLU 507.A O no hydrogen 3.112 N/A ILE 512.A N ALA 508.A O no hydrogen 3.076 N/A ALA 513.A N LEU 509.A O no hydrogen 2.953 N/A LYS 514.A N LYS 511.A O no hydrogen 3.030 N/A HIS 515.A N CYS 510.A O no hydrogen 2.983 N/A HIS 515.A NE2 PRO 518.A O no hydrogen 2.898 N/A LYS 521.A N PRO 518.A O no hydrogen 3.174 N/A CYS 522.A N LEU 519.A O no hydrogen 3.050 N/A CYS 522.A SG ASP 523.A O no hydrogen 3.913 N/A SER 525.A N ASP 523.A OD1 no hydrogen 2.905 N/A SER 525.A OG ASP 523.A OD1 no hydrogen 3.020 N/A ALA 530.A N SER 527.A O no hydrogen 3.205 N/A GLY 531.A N SER 527.A O no hydrogen 3.136 N/A LYS 532.A N THR 528.A O no hydrogen 2.844 N/A LYS 532.A NZ ASP 536.A OD1 no hydrogen 2.772 N/A LYS 532.A NZ ASP 536.A OD2 no hydrogen 3.005 N/A LYS 533.A N GLU 529.A O no hydrogen 3.352 N/A LEU 534.A N ALA 530.A O no hydrogen 3.174 N/A LYS 535.A N GLY 531.A O no hydrogen 2.963 N/A ASP 536.A N LYS 532.A O no hydrogen 3.143 N/A MET 537.A N LYS 533.A O no hydrogen 3.438 N/A LEU 538.A N LEU 534.A O no hydrogen 3.072 N/A GLU 539.A N LYS 535.A O no hydrogen 3.109 N/A LEU 540.A N MET 537.A O no hydrogen 3.126 N/A GLY 541.A N LEU 538.A O no hydrogen 3.318 N/A LYS 542.A N LEU 372.A O no hydrogen 3.176 N/A SER 543.A N LEU 540.A O no hydrogen 3.101 N/A SER 543.A OG LEU 540.A O no hydrogen 2.824 N/A TRP 546.A NE1 TYR 187.A O no hydrogen 2.864 N/A TYR 548.A N PRO 545.A O no hydrogen 2.794 N/A ALA 549.A N PRO 545.A O no hydrogen 3.211 N/A LEU 550.A N TRP 546.A O no hydrogen 2.893 N/A ASN 551.A N THR 547.A O no hydrogen 2.950 N/A GLN 552.A N TYR 548.A O no hydrogen 3.042 N/A ALA 554.A N LEU 550.A O no hydrogen 2.879 N/A ARG 555.A N ASN 551.A O no hydrogen 2.846 N/A THR 556.A OG1 GLU 558.A O no hydrogen 3.488 N/A ALA 561.A N GLU 212.A OE1 no hydrogen 3.326 N/A LEU 564.A N ALA 561.A O no hydrogen 2.940 N/A LEU 565.A N ALA 561.A O no hydrogen 3.206 N/A ASN 566.A N LYS 562.A O no hydrogen 3.394 N/A TYR 567.A N PRO 563.A O no hydrogen 3.145 N/A PHE 568.A N LEU 564.A O no hydrogen 3.147 N/A GLU 569.A N ASN 566.A O no hydrogen 3.128 N/A LEU 571.A N PHE 568.A O no hydrogen 2.923 N/A PHE 572.A N PHE 568.A O no hydrogen 2.967 N/A SER 573.A N GLU 569.A O no hydrogen 3.127 N/A SER 573.A OG GLU 569.A O no hydrogen 3.521 N/A TRP 574.A N PRO 570.A O no hydrogen 3.238 N/A LEU 575.A N LEU 571.A O no hydrogen 2.803 N/A LYS 576.A N PHE 572.A O no hydrogen 2.940 N/A LYS 577.A N SER 573.A O no hydrogen 3.206 N/A GLN 578.A N TRP 574.A O no hydrogen 3.144 N/A ASN 579.A N LEU 575.A O no hydrogen 2.752 N/A ASN 579.A ND2 GLN 219.A O no hydrogen 2.694 N/A ASN 579.A ND2 GLN 219.A OE1 no hydrogen 2.933 N/A GLY 580.A N LYS 576.A O no hydrogen 2.906 N/A SER 582.A N ASN 579.A O no hydrogen 3.001 N/A SER 582.A OG ASN 579.A O no hydrogen 3.462 N/A TRP 585.A NE1 ARG 462.A O no hydrogen 2.878 N/A SER 593.A N SER 590.A O no hydrogen 3.093 N/A SER 593.A OG SER 590.A O no hydrogen 2.905 N/A SER 596.A N SER 593.A O no hydrogen 3.142 N/A LEU 597.A N PHE 649.A O no hydrogen 2.893 N/A VAL 599.A N PHE 647.A O no hydrogen 2.820 N/A ILE 601.A N VAL 645.A O no hydrogen 2.934 N/A ASN 605.A N ASN 603.A OD1 no hydrogen 2.930 N/A GLU 606.A N ASN 603.A O no hydrogen 2.829 N/A MET 607.A N ASN 603.A O no hydrogen 3.060 N/A TYR 608.A N ASP 604.A O no hydrogen 3.026 N/A LEU 609.A N ASN 605.A O no hydrogen 3.038 N/A PHE 610.A N GLU 606.A O no hydrogen 2.895 N/A ARG 611.A N MET 607.A O no hydrogen 2.937 N/A ARG 611.A NE VAL 636.A O no hydrogen 2.967 N/A ARG 611.A NH2 VAL 636.A O no hydrogen 3.010 N/A SER 612.A N TYR 608.A O no hydrogen 2.829 N/A SER 613.A N LEU 609.A O no hydrogen 2.931 N/A SER 613.A OG LEU 609.A O no hydrogen 3.155 N/A VAL 614.A N PHE 610.A O no hydrogen 2.919 N/A ALA 615.A N ARG 611.A O no hydrogen 2.946 N/A TYR 616.A N SER 612.A O no hydrogen 2.899 N/A ALA 617.A N SER 613.A O no hydrogen 2.904 N/A MET 618.A N VAL 614.A O no hydrogen 2.976 N/A ARG 619.A N ALA 615.A O no hydrogen 2.985 N/A ARG 619.A NH2 PHE 631.A O no hydrogen 3.241 N/A VAL 620.A N TYR 616.A O no hydrogen 2.966 N/A TYR 621.A N ALA 617.A O no hydrogen 3.010 N/A PHE 622.A N MET 618.A O no hydrogen 3.111 N/A SER 623.A N ARG 619.A O no hydrogen 2.799 N/A LYS 624.A N VAL 620.A O no hydrogen 3.260 N/A MET 625.A N PHE 622.A O no hydrogen 2.839 N/A PHE 631.A N ILE 629.A O no hydrogen 2.860 N/A ASP 635.A N THR 632.A O no hydrogen 2.909 N/A VAL 636.A N ALA 633.A O no hydrogen 3.026 N/A ARG 637.A N PHE 650.A O no hydrogen 2.766 N/A SER 639.A N LYS 648.A O no hydrogen 2.901 N/A LYS 642.A N SER 646.A O no hydrogen 2.964 N/A VAL 645.A N LYS 642.A O no hydrogen 2.973 N/A SER 646.A N LYS 642.A O no hydrogen 3.219 N/A PHE 647.A N VAL 599.A O no hydrogen 3.093 N/A PHE 649.A N LEU 597.A O no hydrogen 2.913 N/A PHE 650.A N ARG 637.A O no hydrogen 3.050 N/A THR 652.A N ASP 635.A O no hydrogen 3.223 N/A SER 653.A N ASP 659.A OD2 no hydrogen 2.855 N/A ASN 656.A N SER 653.A O no hydrogen 3.206 N/A ILE 657.A N SER 653.A O no hydrogen 3.214 N/A SER 658.A OG ASN 656.A OD1 no hydrogen 2.843 N/A ILE 661.A N VAL 651.A O no hydrogen 3.294 N/A ARG 663.A N GLN 595.A OE1 no hydrogen 2.780 N/A ARG 663.A NE GLU 667.A OE1 no hydrogen 3.226 N/A GLU 665.A N PRO 662.A O no hydrogen 2.858 N/A VAL 666.A N PRO 662.A O no hydrogen 3.141 N/A GLU 667.A N ARG 663.A O no hydrogen 2.811 N/A ASP 668.A N SER 664.A O no hydrogen 3.361 N/A ALA 669.A N GLU 665.A O no hydrogen 3.205 N/A ILE 670.A N VAL 666.A O no hydrogen 3.006 N/A ARG 671.A N GLU 667.A O no hydrogen 3.006 N/A MET 672.A N ASP 668.A O no hydrogen 2.572 N/A SER 673.A N ALA 669.A O no hydrogen 3.087 N/A ARG 674.A N ARG 671.A O no hydrogen 3.005 N/A