Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 127.A O no hydrogen 3.100 N/A CYS 4.A N ASN 2.A OD1 no hydrogen 3.016 N/A CYS 4.A SG PRO 3.A O no hydrogen 3.660 N/A CYS 5.A N ASN 2.A O no hydrogen 3.437 N/A CYS 5.A SG ASN 2.A O no hydrogen 3.160 N/A ASN 7.A N CYS 4.A O no hydrogen 3.163 N/A ASN 7.A ND2 MET 132.A O no hydrogen 3.638 N/A GLN 10.A N ASN 36.A O no hydrogen 2.973 N/A GLN 10.A NE2 ASN 7.A O no hydrogen 3.597 N/A GLN 10.A NE2 PRO 8.A O no hydrogen 2.667 N/A ASN 11.A ND2 CYS 37.A O no hydrogen 2.517 N/A ARG 12.A NH2 TYR 91.A O no hydrogen 3.260 N/A GLY 13.A N GLN 10.A O no hydrogen 2.966 N/A GLU 14.A N ASP 26.A O no hydrogen 3.255 N/A MET 16.A N LYS 24.A O no hydrogen 2.846 N/A THR 18.A N GLN 22.A O no hydrogen 2.908 N/A THR 18.A OG1 GLN 22.A O no hydrogen 3.212 N/A TYR 23.A OH ASN 36.A OD1 no hydrogen 2.688 N/A LYS 24.A N MET 16.A O no hydrogen 2.879 N/A CYS 25.A SG GLU 35.A O no hydrogen 3.336 N/A ASP 26.A N GLU 14.A O no hydrogen 2.905 N/A CYS 27.A SG CYS 25.A O no hydrogen 4.011 N/A CYS 27.A SG GLY 34.A O no hydrogen 3.815 N/A THR 28.A N ASP 26.A OD1 no hydrogen 3.300 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 2.823 N/A THR 30.A N CYS 27.A O no hydrogen 3.011 N/A THR 30.A OG1 CYS 27.A O no hydrogen 2.630 N/A PHE 32.A N THR 30.A OG1 no hydrogen 2.931 N/A TYR 33.A N THR 39.A O no hydrogen 2.762 N/A CYS 37.A N GLY 34.A O no hydrogen 3.077 N/A THR 39.A N TYR 33.A O no hydrogen 2.912 N/A GLU 41.A N GLY 31.A O no hydrogen 2.921 N/A THR 44.A OG1 GLY 31.A O no hydrogen 2.969 N/A THR 44.A OG1 GLU 41.A O no hydrogen 3.371 N/A ARG 45.A N GLU 41.A O no hydrogen 3.196 N/A ILE 46.A N PHE 42.A O no hydrogen 3.166 N/A LYS 47.A N LEU 43.A O no hydrogen 2.943 N/A LEU 48.A N THR 44.A O no hydrogen 3.155 N/A LEU 48.A N ARG 45.A O no hydrogen 3.074 N/A LEU 49.A N ARG 45.A O no hydrogen 3.205 N/A LEU 49.A N ILE 46.A O no hydrogen 3.311 N/A LYS 51.A N LYS 47.A O no hydrogen 3.126 N/A THR 53.A OG1 THR 56.A OG1 no hydrogen 3.089 N/A THR 56.A N THR 53.A OG1 no hydrogen 3.337 N/A THR 56.A OG1 THR 53.A OG1 no hydrogen 3.089 N/A VAL 57.A N THR 53.A O no hydrogen 3.322 N/A HIS 58.A N PRO 54.A O no hydrogen 3.015 N/A TYR 59.A N ASN 55.A O no hydrogen 3.131 N/A ILE 60.A N THR 56.A O no hydrogen 3.365 N/A ILE 60.A N VAL 57.A O no hydrogen 3.002 N/A LEU 61.A N VAL 57.A O no hydrogen 3.180 N/A THR 62.A N TYR 59.A O no hydrogen 3.360 N/A THR 62.A OG1 HIS 58.A O no hydrogen 2.867 N/A THR 62.A OG1 TYR 59.A O no hydrogen 3.201 N/A THR 62.A OG1 HIS 63.A ND1 no hydrogen 3.363 N/A HIS 63.A ND1 TYR 59.A O no hydrogen 2.610 N/A TRP 68.A N PHE 64.A O no hydrogen 2.986 N/A TRP 68.A NE1 ILE 60.A O no hydrogen 2.943 N/A ASN 69.A N LYS 65.A O no hydrogen 2.790 N/A VAL 71.A N VAL 67.A O no hydrogen 3.331 N/A ASN 72.A N TRP 68.A O no hydrogen 3.098 N/A ASN 72.A ND2 HIS 325.A O no hydrogen 3.334 N/A ASN 73.A ND2 ASN 69.A O no hydrogen 3.129 N/A ILE 74.A N ILE 70.A O no hydrogen 3.122 N/A ILE 74.A N VAL 71.A O no hydrogen 3.261 N/A LEU 77.A N ILE 74.A O no hydrogen 3.157 N/A ARG 78.A N ILE 74.A O no hydrogen 3.294 N/A ARG 78.A NE LYS 327.A O no hydrogen 2.871 N/A ARG 78.A NH2 LYS 327.A O no hydrogen 3.014 N/A SER 79.A N PRO 75.A O no hydrogen 3.325 N/A SER 79.A OG PRO 75.A O no hydrogen 3.264 N/A ILE 81.A N LEU 77.A O no hydrogen 3.171 N/A MET 82.A N ARG 78.A O no hydrogen 3.097 N/A LYS 83.A N SER 79.A O no hydrogen 2.994 N/A LYS 83.A NZ LEU 334.A O no hydrogen 3.364 N/A LYS 83.A NZ GLN 338.A OE1 no hydrogen 3.384 N/A TYR 84.A N LEU 80.A O no hydrogen 3.250 N/A VAL 85.A N ILE 81.A O no hydrogen 3.101 N/A LEU 86.A N MET 82.A O no hydrogen 2.855 N/A THR 87.A N LYS 83.A O no hydrogen 3.087 N/A THR 87.A OG1 LYS 83.A O no hydrogen 2.756 N/A SER 88.A N TYR 84.A O no hydrogen 3.000 N/A SER 88.A OG TYR 84.A O no hydrogen 3.061 N/A SER 88.A OG VAL 85.A O no hydrogen 3.500 N/A SER 90.A N THR 87.A O no hydrogen 3.210 N/A TYR 91.A OH SER 440.A OG no hydrogen 3.217 N/A LEU 92.A N ARG 89.A O no hydrogen 3.389 N/A THR 98.A OG1 ASP 94.A OD2 no hydrogen 3.298 N/A ASN 100.A N TYR 103.A O no hydrogen 3.394 N/A HIS 102.A N ASN 100.A OD1 no hydrogen 3.237 N/A HIS 102.A ND1 TYR 116.A OH no hydrogen 3.038 N/A TYR 103.A N ASN 100.A O no hydrogen 3.103 N/A TYR 103.A N ASN 100.A OD1 no hydrogen 3.005 N/A LYS 106.A NZ GLU 14.A OE1 no hydrogen 2.652 N/A LYS 106.A NZ GLU 14.A OE2 no hydrogen 3.355 N/A ALA 110.A N SER 107.A OG no hydrogen 3.026 N/A PHE 111.A N SER 107.A O no hydrogen 3.022 N/A SER 112.A N TRP 108.A O no hydrogen 2.582 N/A SER 112.A OG TRP 108.A O no hydrogen 2.782 N/A SER 112.A OG GLU 109.A O no hydrogen 3.375 N/A ASN 113.A N GLU 109.A O no hydrogen 3.299 N/A ASN 113.A ND2 GLU 109.A OE1 no hydrogen 2.965 N/A SER 115.A N ASN 113.A OD1 no hydrogen 3.044 N/A SER 115.A OG ASN 113.A OD1 no hydrogen 3.325 N/A TYR 116.A OH HIS 102.A ND1 no hydrogen 3.038 N/A TYR 117.A N GLY 188.A O no hydrogen 3.044 N/A TYR 117.A OH THR 181.A OG1 no hydrogen 3.290 N/A THR 118.A N ILE 346.A O no hydrogen 2.858 N/A THR 118.A OG1 TYR 99.A O no hydrogen 3.172 N/A ARG 119.A N TYR 99.A O no hydrogen 2.930 N/A ARG 119.A NE LEU 121.A O no hydrogen 3.402 N/A ARG 119.A NE GLU 349.A OE2 no hydrogen 3.340 N/A ARG 119.A NH1 MET 427.A O no hydrogen 3.051 N/A ARG 119.A NH2 MET 427.A O no hydrogen 3.155 N/A ARG 119.A NH2 LYS 428.A O no hydrogen 3.455 N/A ALA 120.A N GLU 349.A OE1 no hydrogen 3.271 N/A ALA 120.A N GLU 349.A OE2 no hydrogen 3.126 N/A LEU 121.A N GLU 349.A OE2 no hydrogen 3.405 N/A VAL 124.A N LYS 428.A O no hydrogen 2.964 N/A CYS 128.A SG ALA 125.A O no hydrogen 3.692 N/A THR 130.A N GLY 133.A O no hydrogen 3.370 N/A THR 130.A OG1 LYS 135.A O no hydrogen 2.986 N/A SER 143.A OG ASP 422.A OD1 no hydrogen 2.673 N/A SER 143.A OG ASP 422.A OD2 no hydrogen 3.342 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 3.507 N/A VAL 146.A N ASP 142.A O no hydrogen 3.084 N/A LEU 147.A N SER 143.A O no hydrogen 2.856 N/A GLU 148.A N LYS 144.A O no hydrogen 2.922 N/A LYS 149.A N GLU 145.A O no hydrogen 3.271 N/A LYS 149.A N VAL 146.A O no hydrogen 3.245 N/A VAL 150.A N VAL 146.A O no hydrogen 3.298 N/A LEU 151.A N LEU 147.A O no hydrogen 3.212 N/A LEU 152.A N LEU 147.A O no hydrogen 3.169 N/A ARG 153.A N VAL 409.A O no hydrogen 2.776 N/A ARG 153.A NH1 LEU 360.A O no hydrogen 2.868 N/A ARG 153.A NH1 ASP 362.A OD2 no hydrogen 2.999 N/A ARG 153.A NH2 LEU 360.A O no hydrogen 2.704 N/A ARG 153.A NH2 ASN 408.A O no hydrogen 2.797 N/A ARG 154.A NE LEU 152.A O no hydrogen 3.560 N/A ARG 154.A NH2 GLU 148.A O no hydrogen 2.560 N/A ARG 154.A NH2 LEU 152.A O no hydrogen 3.560 N/A ILE 157.A N ASN 408.A OD1 no hydrogen 2.903 N/A ASP 159.A N ALA 400.A O no hydrogen 3.203 N/A GLN 161.A N ASP 159.A OD1 no hydrogen 2.939 N/A GLN 161.A NE2 LEU 321.A O no hydrogen 2.849 N/A GLY 162.A N ASP 159.A O no hydrogen 2.948 N/A SER 163.A N ASP 159.A OD2 no hydrogen 2.826 N/A SER 163.A OG ASP 159.A OD2 no hydrogen 2.625 N/A SER 163.A OG HIS 320.A NE2 no hydrogen 2.607 N/A ASN 164.A N PHE 549.A O no hydrogen 3.321 N/A ASN 164.A ND2 THR 396.A O no hydrogen 3.064 N/A ASN 164.A ND2 SER 548.A O no hydrogen 3.046 N/A MET 165.A N PHE 395.A O no hydrogen 3.299 N/A PHE 167.A N ASN 164.A OD1 no hydrogen 3.252 N/A ALA 168.A N ASN 164.A O no hydrogen 3.151 N/A PHE 169.A N MET 165.A O no hydrogen 2.968 N/A PHE 170.A N MET 166.A O no hydrogen 2.980 N/A ALA 171.A N PHE 167.A O no hydrogen 2.996 N/A GLN 172.A N ALA 168.A O no hydrogen 3.171 N/A HIS 173.A N PHE 169.A O no hydrogen 2.985 N/A PHE 174.A N PHE 170.A O no hydrogen 2.864 N/A THR 175.A N ALA 171.A O no hydrogen 3.052 N/A THR 175.A OG1 ALA 171.A O no hydrogen 3.096 N/A HIS 176.A N GLN 172.A O no hydrogen 3.042 N/A GLN 177.A NE2 PHE 174.A O no hydrogen 2.296 N/A PHE 178.A N THR 175.A O no hydrogen 3.260 N/A PHE 179.A N THR 175.A O no hydrogen 3.041 N/A LYS 180.A N TYR 117.A OH no hydrogen 2.959 N/A LYS 180.A NZ ASN 200.A OD1 no hydrogen 3.090 N/A THR 181.A OG1 TYR 117.A OH no hydrogen 3.290 N/A ASP 182.A N PHE 189.A O no hydrogen 3.166 N/A ARG 185.A N ASP 182.A O no hydrogen 2.945 N/A GLY 186.A N ASP 182.A O no hydrogen 3.083 N/A PHE 189.A N GLY 186.A O no hydrogen 3.255 N/A THR 190.A N SER 115.A O no hydrogen 2.694 N/A ARG 191.A N LYS 180.A O no hydrogen 2.933 N/A ARG 191.A NH2 GLU 259.A OE1 no hydrogen 3.511 N/A GLY 192.A N THR 190.A OG1 no hydrogen 2.710 N/A LEU 193.A N GLU 205.A OE2 no hydrogen 2.858 N/A HIS 195.A N GLY 192.A O no hydrogen 3.059 N/A HIS 195.A NE2 LEU 114.A O no hydrogen 2.924 N/A LEU 199.A N GLN 177.A OE1 no hydrogen 3.049 N/A ASN 200.A N ASP 198.A OD1 no hydrogen 2.918 N/A ASN 200.A ND2 GLN 177.A O no hydrogen 2.762 N/A ASN 200.A ND2 ASP 198.A OD1 no hydrogen 3.308 N/A ILE 202.A N LEU 199.A O no hydrogen 3.181 N/A TYR 203.A N LEU 199.A O no hydrogen 3.258 N/A TYR 203.A OH HIS 278.A ND1 no hydrogen 2.868 N/A GLY 204.A N ASN 200.A O no hydrogen 2.708 N/A ARG 209.A NE GLY 257.A O no hydrogen 3.042 N/A ARG 209.A NH1 GLU 241.A O no hydrogen 3.018 N/A ARG 209.A NH2 GLU 241.A O no hydrogen 2.816 N/A ARG 209.A NH2 VAL 256.A O no hydrogen 3.371 N/A ARG 209.A NH2 GLY 257.A O no hydrogen 3.478 N/A GLN 210.A N THR 206.A O no hydrogen 3.198 N/A HIS 211.A N LEU 207.A O no hydrogen 3.193 N/A LYS 212.A N ASP 208.A O no hydrogen 3.376 N/A LYS 212.A NZ GLN 239.A O no hydrogen 3.056 N/A LEU 213.A N GLN 210.A O no hydrogen 2.863 N/A ARG 214.A N HIS 211.A O no hydrogen 3.329 N/A ARG 214.A NH1 GLN 210.A OE1 no hydrogen 3.219 N/A ARG 214.A NH1 GLU 295.A OE1 no hydrogen 2.956 N/A ARG 214.A NH2 ASP 294.A OD2 no hydrogen 2.715 N/A ARG 214.A NH2 GLU 295.A OE1 no hydrogen 3.284 N/A LEU 215.A N LYS 220.A O no hydrogen 3.043 N/A GLY 219.A N ASP 294.A OD1 no hydrogen 2.664 N/A LYS 220.A N LYS 217.A O no hydrogen 3.218 N/A LYS 220.A NZ ASP 283.A OD1 no hydrogen 3.217 N/A LEU 221.A N ASN 279.A OD1 no hydrogen 2.835 N/A LYS 222.A N LEU 213.A O no hydrogen 3.123 N/A LYS 222.A NZ ASP 237.A OD2 no hydrogen 3.035 N/A GLN 224.A N TYR 231.A O no hydrogen 2.912 N/A GLN 224.A NE2 PRO 232.A O no hydrogen 3.049 N/A ILE 226.A N GLU 229.A O no hydrogen 3.024 N/A GLU 229.A N ILE 226.A O no hydrogen 3.304 N/A TYR 231.A N GLN 224.A O no hydrogen 2.872 N/A VAL 235.A N GLN 253.A O no hydrogen 2.928 N/A ASP 237.A N THR 234.A OG1 no hydrogen 2.974 N/A THR 238.A OG1 THR 234.A O no hydrogen 2.975 N/A GLN 239.A N VAL 235.A O no hydrogen 2.744 N/A VAL 240.A N THR 238.A OG1 no hydrogen 3.107 N/A ILE 243.A N GLU 259.A O no hydrogen 3.274 N/A TYR 244.A OH PHE 254.A O no hydrogen 2.996 N/A ILE 248.A N PRO 245.A O no hydrogen 3.180 N/A LEU 252.A N PRO 249.A O no hydrogen 3.138 N/A GLN 253.A NE2 ILE 248.A O no hydrogen 2.701 N/A ALA 255.A N PRO 233.A O no hydrogen 2.738 N/A GLN 258.A N HIS 201.A O no hydrogen 3.279 N/A GLN 258.A NE2 HIS 176.A O no hydrogen 3.175 N/A VAL 260.A N GLN 258.A OE1 no hydrogen 2.828 N/A PHE 261.A N GLN 258.A O no hydrogen 3.361 N/A LEU 263.A N VAL 260.A O no hydrogen 3.172 N/A VAL 264.A N PHE 261.A O no hydrogen 3.487 N/A MET 268.A N VAL 264.A O no hydrogen 3.224 N/A MET 269.A N PRO 265.A O no hydrogen 3.185 N/A TYR 270.A OH MET 166.A O no hydrogen 3.038 N/A ALA 271.A N LEU 267.A O no hydrogen 3.048 N/A THR 272.A N MET 268.A O no hydrogen 3.042 N/A THR 272.A OG1 MET 268.A O no hydrogen 2.898 N/A ILE 273.A N MET 269.A O no hydrogen 2.976 N/A TRP 274.A N TYR 270.A O no hydrogen 2.904 N/A LEU 275.A N ALA 271.A O no hydrogen 3.279 N/A ARG 276.A N THR 272.A O no hydrogen 3.079 N/A ARG 276.A NH2 GLU 229.A OE1 no hydrogen 2.960 N/A GLU 277.A N ILE 273.A O no hydrogen 2.979 N/A HIS 278.A N TRP 274.A O no hydrogen 2.930 N/A HIS 278.A ND1 TYR 203.A OH no hydrogen 2.868 N/A HIS 278.A NE2 GLY 219.A O no hydrogen 2.949 N/A ASN 279.A N LEU 275.A O no hydrogen 3.272 N/A ASN 279.A ND2 LEU 221.A O no hydrogen 3.285 N/A ARG 280.A N ARG 276.A O no hydrogen 2.982 N/A ARG 280.A NH1 GLU 277.A OE2 no hydrogen 3.114 N/A VAL 281.A N GLU 277.A O no hydrogen 2.841 N/A CYS 282.A N HIS 278.A O no hydrogen 3.072 N/A CYS 282.A SG GLY 219.A O no hydrogen 3.456 N/A CYS 282.A SG HIS 278.A NE2 no hydrogen 3.503 N/A CYS 282.A SG HIS 278.A O no hydrogen 3.481 N/A CYS 282.A SG SER 301.A OG no hydrogen 3.264 N/A ASP 283.A N ASN 279.A O no hydrogen 3.232 N/A ILE 284.A N ARG 280.A O no hydrogen 3.408 N/A LEU 285.A N VAL 281.A O no hydrogen 3.022 N/A LYS 286.A N ASP 283.A O no hydrogen 3.290 N/A LYS 286.A NZ ASP 218.A OD2 no hydrogen 3.374 N/A GLN 287.A N ASP 283.A O no hydrogen 3.383 N/A GLU 288.A N ILE 284.A O no hydrogen 3.362 N/A HIS 289.A N LEU 285.A O no hydrogen 3.077 N/A HIS 289.A NE2 GLY 520.A O no hydrogen 2.439 N/A TRP 292.A N HIS 289.A O no hydrogen 3.076 N/A LEU 297.A N GLY 293.A O no hydrogen 3.180 N/A PHE 298.A N ASP 294.A O no hydrogen 2.958 N/A GLN 299.A N GLU 295.A O no hydrogen 2.814 N/A GLN 299.A NE2 GLU 295.A OE2 no hydrogen 3.409 N/A THR 300.A N GLN 296.A O no hydrogen 3.068 N/A THR 300.A OG1 GLN 296.A O no hydrogen 2.561 N/A SER 301.A N LEU 297.A O no hydrogen 3.047 N/A SER 301.A OG LEU 297.A O no hydrogen 2.681 N/A ARG 302.A N PHE 298.A O no hydrogen 3.085 N/A ARG 302.A NH2 ASP 198.A O no hydrogen 3.254 N/A LEU 303.A N GLN 299.A O no hydrogen 3.169 N/A ILE 304.A N THR 300.A O no hydrogen 2.920 N/A LEU 305.A N SER 301.A O no hydrogen 2.894 N/A ILE 306.A N ARG 302.A O no hydrogen 3.377 N/A GLY 307.A N LEU 303.A O no hydrogen 3.349 N/A GLU 308.A N ILE 304.A O no hydrogen 3.054 N/A THR 309.A N LEU 305.A O no hydrogen 2.961 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.906 N/A ILE 310.A N ILE 306.A O no hydrogen 3.045 N/A LYS 311.A N GLY 307.A O no hydrogen 2.895 N/A LYS 311.A NZ GLU 315.A OE1 no hydrogen 2.752 N/A LYS 311.A NZ GLU 315.A OE2 no hydrogen 3.023 N/A LYS 311.A NZ ASN 529.A O no hydrogen 3.437 N/A ILE 312.A N GLU 308.A O no hydrogen 2.928 N/A VAL 313.A N THR 309.A O no hydrogen 2.816 N/A ILE 314.A N ILE 310.A O no hydrogen 3.119 N/A GLU 315.A N LYS 311.A O no hydrogen 2.998 N/A ASP 316.A N ILE 312.A O no hydrogen 3.061 N/A TYR 317.A N ILE 312.A O no hydrogen 3.161 N/A TYR 317.A OH TYR 354.A OH no hydrogen 2.448 N/A VAL 318.A N VAL 313.A O no hydrogen 2.764 N/A GLN 319.A N ILE 314.A O no hydrogen 3.353 N/A GLN 319.A NE2 PHE 326.A O no hydrogen 3.063 N/A HIS 320.A N ASP 316.A O no hydrogen 2.866 N/A HIS 320.A NE2 SER 163.A OG no hydrogen 2.607 N/A LEU 321.A N TYR 317.A O no hydrogen 3.447 N/A SER 322.A N VAL 318.A O no hydrogen 3.008 N/A SER 322.A OG GLN 319.A O no hydrogen 2.479 N/A TYR 324.A N SER 322.A OG no hydrogen 3.103 N/A HIS 325.A N LEU 61.A O no hydrogen 3.073 N/A LYS 327.A N ASN 72.A OD1 no hydrogen 3.041 N/A LEU 328.A N GLN 319.A OE1 no hydrogen 2.721 N/A LYS 329.A NZ SER 79.A OG no hydrogen 3.036 N/A PHE 330.A N GLU 315.A OE2 no hydrogen 2.707 N/A GLU 333.A N ASP 331.A OD1 no hydrogen 3.173 N/A LEU 334.A N ASP 331.A O no hydrogen 3.241 N/A LEU 335.A N PRO 332.A O no hydrogen 3.434 N/A GLN 338.A N LEU 335.A O no hydrogen 3.043 N/A ASN 344.A ND2 HIS 195.A O no hydrogen 3.198 N/A ARG 345.A NH2 PHE 111.A O no hydrogen 2.343 N/A ILE 346.A N HIS 195.A ND1 no hydrogen 3.275 N/A SER 348.A N THR 118.A O no hydrogen 3.001 N/A SER 348.A OG TYR 429.A OH no hydrogen 2.846 N/A GLU 349.A N GLU 349.A OE1 no hydrogen 2.753 N/A ASN 351.A N ALA 347.A O no hydrogen 3.061 N/A THR 352.A N SER 348.A O no hydrogen 2.765 N/A THR 352.A OG1 SER 348.A O no hydrogen 3.281 N/A THR 352.A OG1 TYR 429.A OH no hydrogen 2.556 N/A LEU 353.A N GLU 349.A O no hydrogen 2.921 N/A TYR 354.A N PHE 350.A O no hydrogen 3.177 N/A TYR 354.A OH TYR 317.A OH no hydrogen 2.448 N/A HIS 355.A N THR 352.A O no hydrogen 3.302 N/A HIS 355.A NE2 ASN 351.A OD1 no hydrogen 3.077 N/A LEU 359.A N TRP 356.A O no hydrogen 3.191 N/A LEU 360.A N HIS 357.A O no hydrogen 3.206 N/A THR 363.A OG1 ASN 365.A OD1 no hydrogen 2.753 N/A PHE 364.A N TYR 371.A O no hydrogen 2.944 N/A ASN 365.A N GLN 398.A OE1 no hydrogen 3.006 N/A ILE 366.A N GLN 369.A O no hydrogen 2.852 N/A GLU 367.A N SER 394.A OG no hydrogen 3.044 N/A GLN 369.A N ILE 366.A O no hydrogen 2.597 N/A TYR 371.A N PHE 364.A O no hydrogen 3.007 N/A TYR 371.A OH HIS 386.A NE2 no hydrogen 2.737 N/A SER 372.A N GLN 375.A OE1 no hydrogen 3.001 N/A GLN 375.A N SER 372.A OG no hydrogen 3.356 N/A PHE 376.A N SER 372.A O no hydrogen 2.727 N/A LEU 377.A N PHE 373.A O no hydrogen 3.015 N/A TYR 378.A N LEU 263.A O no hydrogen 2.771 N/A ASN 379.A ND2 GLN 375.A O no hydrogen 3.681 N/A ASN 380.A ND2 GLY 262.A O no hydrogen 3.551 N/A LEU 384.A N ASN 380.A O no hydrogen 3.191 N/A GLU 385.A N SER 381.A O no hydrogen 2.699 N/A HIS 386.A N ILE 382.A O no hydrogen 3.242 N/A HIS 386.A ND1 GLU 367.A OE1 no hydrogen 3.015 N/A HIS 386.A NE2 TYR 371.A OH no hydrogen 2.737 N/A GLY 387.A N LEU 383.A O no hydrogen 2.958 N/A THR 389.A OG1 LYS 542.A O no hydrogen 2.617 N/A PHE 391.A N GLY 387.A O no hydrogen 2.994 N/A VAL 392.A N LEU 388.A O no hydrogen 3.053 N/A GLU 393.A N THR 389.A O no hydrogen 3.086 N/A SER 394.A N GLN 390.A O no hydrogen 3.234 N/A SER 394.A OG GLN 390.A O no hydrogen 3.023 N/A SER 394.A OG GLN 390.A OE1 no hydrogen 3.500 N/A PHE 395.A N PHE 391.A O no hydrogen 3.040 N/A THR 396.A N VAL 392.A O no hydrogen 2.780 N/A THR 396.A OG1 VAL 392.A O no hydrogen 3.003 N/A THR 396.A OG1 THR 547.A OG1 no hydrogen 2.856 N/A ARG 397.A N GLU 393.A O no hydrogen 3.365 N/A GLN 398.A NE2 THR 363.A O no hydrogen 2.871 N/A ALA 400.A N SER 163.A O no hydrogen 2.746 N/A GLY 401.A N LEU 359.A O no hydrogen 2.932 N/A ARG 402.A N ILE 157.A O no hydrogen 2.955 N/A ARG 402.A NE ALA 485.A O no hydrogen 3.148 N/A ARG 402.A NH2 ALA 485.A O no hydrogen 2.868 N/A ALA 404.A N ILE 486.A O no hydrogen 3.245 N/A GLY 405.A N GLU 479.A O no hydrogen 2.999 N/A ARG 407.A N VAL 150.A O no hydrogen 2.923 N/A ARG 407.A NE LYS 149.A O no hydrogen 3.008 N/A ARG 407.A NH1 GLU 455.A OE1 no hydrogen 2.980 N/A ARG 407.A NH2 LYS 149.A O no hydrogen 2.827 N/A ASN 408.A N LEU 151.A O no hydrogen 3.047 N/A ASN 408.A ND2 ILE 157.A O no hydrogen 3.407 N/A ASN 408.A ND2 ARG 402.A O no hydrogen 2.681 N/A VAL 409.A N LEU 151.A O no hydrogen 3.223 N/A VAL 413.A N PRO 410.A O no hydrogen 3.272 N/A GLN 414.A N ILE 411.A O no hydrogen 3.002 N/A LYS 418.A N GLN 414.A O no hydrogen 3.127 N/A LYS 418.A NZ SER 143.A OG no hydrogen 3.181 N/A LYS 418.A NZ ASP 422.A OD2 no hydrogen 3.102 N/A ALA 419.A N ALA 415.A O no hydrogen 2.970 N/A SER 420.A N VAL 416.A O no hydrogen 2.927 N/A SER 420.A OG HIS 355.A ND1 no hydrogen 2.948 N/A SER 420.A OG VAL 416.A O no hydrogen 3.386 N/A ILE 421.A N ALA 417.A O no hydrogen 3.151 N/A ASP 422.A N LYS 418.A O no hydrogen 2.823 N/A GLN 423.A N ALA 419.A O no hydrogen 2.850 N/A SER 424.A N ILE 421.A O no hydrogen 3.114 N/A SER 424.A OG SER 420.A O no hydrogen 2.884 N/A ARG 425.A N ILE 421.A O no hydrogen 3.393 N/A ARG 425.A NE GLU 471.A OE1 no hydrogen 3.092 N/A ARG 425.A NE GLU 471.A OE2 no hydrogen 3.052 N/A ARG 425.A NH1 PRO 141.A O no hydrogen 2.773 N/A ARG 425.A NH2 PRO 141.A O no hydrogen 2.944 N/A ARG 425.A NH2 GLU 471.A OE2 no hydrogen 2.708 N/A GLU 426.A N ASP 422.A O no hydrogen 2.913 N/A MET 427.A N GLN 423.A O no hydrogen 2.931 N/A LYS 428.A N ARG 425.A O no hydrogen 3.154 N/A LYS 428.A NZ VAL 124.A O no hydrogen 3.559 N/A LYS 428.A NZ ALA 125.A O no hydrogen 2.957 N/A TYR 429.A N SER 424.A O no hydrogen 3.325 N/A TYR 429.A OH SER 348.A OG no hydrogen 2.846 N/A TYR 429.A OH THR 352.A OG1 no hydrogen 2.556 N/A GLN 430.A NE2 PRO 122.A O no hydrogen 2.865 N/A LEU 432.A N MET 470.A O no hydrogen 2.777 N/A ASN 433.A ND2 TYR 444.A O no hydrogen 3.162 N/A ASN 433.A ND2 ASP 468.A OD1 no hydrogen 3.246 N/A GLU 434.A N SER 431.A OG no hydrogen 2.910 N/A TYR 435.A N SER 431.A O no hydrogen 3.255 N/A TYR 435.A OH GLU 349.A OE2 no hydrogen 2.695 N/A ARG 436.A N LEU 432.A O no hydrogen 2.884 N/A ARG 436.A NE LYS 442.A O no hydrogen 2.693 N/A ARG 436.A NH1 GLU 489.A OE2 no hydrogen 2.984 N/A ARG 436.A NH1 THR 490.A OG1 no hydrogen 3.041 N/A ARG 436.A NH2 LYS 442.A O no hydrogen 2.747 N/A ARG 436.A NH2 GLU 489.A OE2 no hydrogen 2.703 N/A LYS 437.A N ASN 433.A O no hydrogen 2.965 N/A LYS 437.A NZ GLN 10.A OE1 no hydrogen 3.084 N/A ARG 438.A N GLU 434.A O no hydrogen 3.216 N/A ARG 438.A NE ALA 120.A O no hydrogen 3.313 N/A ARG 438.A NH1 LEU 92.A O no hydrogen 2.612 N/A ARG 438.A NH1 ARG 438.A O no hydrogen 3.384 N/A ARG 438.A NH2 LEU 92.A O no hydrogen 3.057 N/A PHE 439.A N TYR 435.A O no hydrogen 3.292 N/A PHE 439.A N ARG 436.A O no hydrogen 3.240 N/A SER 440.A N LYS 437.A O no hydrogen 2.886 N/A SER 440.A OG TYR 91.A OH no hydrogen 3.217 N/A LEU 441.A N ARG 436.A O no hydrogen 2.873 N/A LYS 442.A NZ GLU 449.A OE1 no hydrogen 2.612 N/A LYS 442.A NZ GLU 449.A OE2 no hydrogen 3.522 N/A TYR 444.A N ASN 433.A OD1 no hydrogen 2.828 N/A TYR 444.A OH GLU 479.A OE2 no hydrogen 2.508 N/A THR 445.A N GLU 449.A OE2 no hydrogen 3.017 N/A THR 445.A OG1 GLU 449.A OE2 no hydrogen 2.702 N/A GLU 449.A N SER 446.A OG no hydrogen 3.221 N/A LEU 450.A N SER 446.A O no hydrogen 3.347 N/A THR 451.A N PHE 447.A O no hydrogen 3.192 N/A THR 451.A OG1 PHE 447.A O no hydrogen 3.380 N/A THR 451.A OG1 GLU 453.A OE1 no hydrogen 2.699 N/A GLY 452.A N GLU 448.A O no hydrogen 2.963 N/A GLU 453.A N THR 451.A OG1 no hydrogen 3.118 N/A MET 456.A N GLU 453.A OE2 no hydrogen 2.715 N/A ALA 457.A N GLU 453.A OE1 no hydrogen 3.103 N/A ALA 458.A N LYS 454.A O no hydrogen 3.055 N/A GLU 459.A N GLU 455.A O no hydrogen 3.380 N/A LEU 460.A N MET 456.A O no hydrogen 2.917 N/A LYS 461.A N ALA 457.A O no hydrogen 2.901 N/A ALA 462.A N ALA 458.A O no hydrogen 3.002 N/A LEU 463.A N GLU 459.A O no hydrogen 3.246 N/A TYR 464.A N LEU 460.A O no hydrogen 2.971 N/A TYR 464.A OH GLU 471.A OE2 no hydrogen 2.919 N/A SER 465.A N LYS 461.A O no hydrogen 2.790 N/A ASP 468.A N ASP 466.A OD2 no hydrogen 3.317 N/A VAL 469.A N ASP 466.A O no hydrogen 2.792 N/A MET 470.A N ILE 467.A O no hydrogen 3.106 N/A TYR 473.A OH HIS 355.A O no hydrogen 3.381 N/A ALA 475.A N GLU 471.A O no hydrogen 3.338 N/A LEU 476.A N LEU 472.A O no hydrogen 3.027 N/A VAL 478.A N ALA 475.A O no hydrogen 3.059 N/A LYS 480.A N LEU 450.A O no hydrogen 2.925 N/A ARG 482.A N PHE 487.A O no hydrogen 3.170 N/A ARG 482.A NE ASN 55.A OD1 no hydrogen 3.485 N/A ARG 482.A NH2 ASN 55.A OD1 no hydrogen 3.232 N/A ALA 485.A N ARG 482.A O no hydrogen 2.866 N/A ILE 486.A N GLN 161.A OE1 no hydrogen 3.440 N/A THR 490.A N GLU 479.A OE1 no hydrogen 3.155 N/A THR 490.A OG1 GLU 479.A OE2 no hydrogen 2.855 N/A GLU 493.A N GLU 489.A O no hydrogen 3.103 N/A LEU 494.A N THR 490.A O no hydrogen 3.150 N/A GLY 495.A N MET 491.A O no hydrogen 2.930 N/A ALA 496.A N VAL 492.A O no hydrogen 2.700 N/A SER 499.A N GLY 495.A O no hydrogen 3.076 N/A LEU 500.A N ALA 496.A O no hydrogen 2.849 N/A LYS 501.A N PRO 497.A O no hydrogen 3.330 N/A LYS 501.A NZ SER 95.A OG no hydrogen 3.339 N/A LYS 501.A NZ GLN 343.A O no hydrogen 3.296 N/A GLY 502.A N SER 499.A O no hydrogen 2.730 N/A LEU 503.A N SER 499.A O no hydrogen 2.817 N/A MET 504.A N LEU 500.A O no hydrogen 2.766 N/A ASN 506.A N LEU 503.A O no hydrogen 3.451 N/A ASN 506.A ND2 VAL 197.A O no hydrogen 3.220 N/A ILE 508.A N ASN 506.A OD1 no hydrogen 3.066 N/A CYS 509.A N ASN 506.A O no hydrogen 2.962 N/A CYS 509.A SG LEU 503.A O no hydrogen 3.976 N/A SER 510.A OG PRO 507.A O no hydrogen 3.385 N/A TRP 514.A N SER 510.A O no hydrogen 3.156 N/A LYS 515.A N TYR 513.A O no hydrogen 3.129 N/A THR 518.A N LYS 515.A O no hydrogen 3.188 N/A THR 518.A OG1 TYR 513.A O no hydrogen 2.619 N/A PHE 519.A N PRO 516.A O no hydrogen 2.763 N/A GLY 520.A N SER 517.A O no hydrogen 3.237 N/A GLY 521.A N PRO 516.A O no hydrogen 3.357 N/A PHE 525.A N GLY 521.A O no hydrogen 3.163 N/A LYS 526.A N GLU 522.A O no hydrogen 3.029 N/A LYS 526.A N VAL 523.A O no hydrogen 3.160 N/A ILE 527.A N GLY 524.A O no hydrogen 3.272 N/A ASN 529.A N PHE 525.A O no hydrogen 3.098 N/A ASN 529.A ND2 PHE 525.A O no hydrogen 2.722 N/A THR 530.A N LYS 526.A O no hydrogen 3.097 N/A THR 530.A OG1 LYS 526.A O no hydrogen 2.961 N/A ALA 531.A N ILE 528.A O no hydrogen 3.143 N/A SER 532.A OG SER 535.A OG no hydrogen 2.828 N/A ILE 533.A N ASP 316.A OD2 no hydrogen 2.936 N/A GLN 534.A NE2 GLN 534.A O no hydrogen 3.211 N/A GLN 534.A NE2 PRO 545.A O no hydrogen 3.564 N/A SER 535.A N SER 532.A OG no hydrogen 3.185 N/A SER 535.A OG SER 532.A O no hydrogen 3.098 N/A SER 535.A OG SER 532.A OG no hydrogen 2.828 N/A LEU 536.A N SER 532.A O no hydrogen 3.065 N/A ILE 537.A N ILE 533.A O no hydrogen 3.242 N/A CYS 538.A N GLN 534.A O no hydrogen 2.970 N/A ASN 539.A N SER 535.A O no hydrogen 3.019 N/A ASN 540.A N ILE 537.A O no hydrogen 3.210 N/A ASN 540.A ND2 GLU 277.A OE2 no hydrogen 2.749 N/A ASN 540.A ND2 LEU 536.A O no hydrogen 2.927 N/A CYS 544.A N VAL 541.A O no hydrogen 3.075 N/A THR 547.A OG1 THR 396.A OG1 no hydrogen 2.856 N/A SER 548.A OG ASN 550.A OD1 no hydrogen 3.311 N/A VAL 551.A N GLY 162.A O no hydrogen 2.883 N/A