Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5buz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N ASP 4.A OD1 no hydrogen 3.337 N/A GLN 7.A N ASP 4.A O no hydrogen 3.139 N/A VAL 8.A N ALA 5.A O no hydrogen 3.260 N/A ARG 9.A N ALA 5.A O no hydrogen 3.496 N/A ARG 9.A NE GLU 6.A OE1 no hydrogen 3.181 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 3.391 N/A ARG 9.A NH1 VAL 41.A O no hydrogen 2.929 N/A ASP 10.A N GLU 6.A O no hydrogen 2.985 N/A LYS 11.A N GLN 7.A O no hydrogen 3.206 N/A LYS 11.A NZ ASP 15.A OD2 no hydrogen 2.438 N/A ALA 12.A N VAL 8.A O no hydrogen 3.013 N/A ARG 13.A N ARG 9.A O no hydrogen 2.994 N/A ARG 13.A NH2 ASP 10.A OD1 no hydrogen 3.241 N/A LYS 14.A N ASP 10.A O no hydrogen 2.895 N/A ASP 15.A N LYS 11.A O no hydrogen 2.808 N/A LEU 16.A N ALA 12.A O no hydrogen 3.145 N/A LEU 17.A N ARG 13.A O no hydrogen 2.968 N/A HIS 18.A N LYS 14.A O no hydrogen 3.066 N/A LEU 19.A N LEU 16.A O no hydrogen 3.153 N/A LEU 20.A N LEU 16.A O no hydrogen 3.305 N/A GLU 21.A N LEU 17.A O no hydrogen 2.967 N/A GLY 22.A N HIS 18.A O no hydrogen 3.379 N/A LYS 27.A N GLY 52.A O no hydrogen 2.630 N/A LYS 27.A NZ LEU 20.A O no hydrogen 3.004 N/A LYS 27.A NZ VAL 23.A O no hydrogen 3.065 N/A LYS 27.A NZ GLY 25.A O no hydrogen 2.928 N/A LYS 27.A NZ TYR 51.A O no hydrogen 2.916 N/A ASN 28.A N ASN 70.A O no hydrogen 2.843 N/A ASN 28.A ND2 GLY 65.A O no hydrogen 3.346 N/A LEU 29.A N ASN 55.A O no hydrogen 3.225 N/A VAL 30.A N VAL 72.A O no hydrogen 2.792 N/A ILE 31.A N PHE 57.A O no hydrogen 2.813 N/A GLU 32.A N ILE 74.A O no hydrogen 3.131 N/A LYS 33.A N GLU 60.A OE1 no hydrogen 3.420 N/A LYS 33.A N GLU 60.A OE2 no hydrogen 3.071 N/A ASP 34.A N ASP 34.A OD1 no hydrogen 2.420 N/A LEU 35.A N GLU 32.A O no hydrogen 2.938 N/A ALA 36.A N GLU 32.A O no hydrogen 3.173 N/A ALA 36.A N LYS 33.A O no hydrogen 3.063 N/A LEU 39.A N LEU 35.A O no hydrogen 3.119 N/A GLY 40.A N ALA 36.A O no hydrogen 3.102 N/A GLY 40.A N GLY 37.A O no hydrogen 2.934 N/A VAL 41.A N PRO 38.A O no hydrogen 3.049 N/A ILE 42.A N LEU 39.A O no hydrogen 2.926 N/A VAL 43.A N LEU 39.A O no hydrogen 3.033 N/A LEU 48.A N LYS 44.A O no hydrogen 3.293 N/A ARG 49.A N ALA 45.A O no hydrogen 2.997 N/A ASP 50.A N SER 46.A O no hydrogen 3.214 N/A TYR 51.A N LEU 48.A O no hydrogen 3.070 N/A GLY 52.A N ARG 49.A O no hydrogen 2.800 N/A ASP 54.A N LYS 27.A O no hydrogen 3.264 N/A ASN 55.A N ASN 28.A OD1 no hydrogen 3.049 N/A PHE 57.A N LEU 29.A O no hydrogen 2.943 N/A LEU 59.A N ILE 31.A O no hydrogen 2.741 N/A GLU 60.A N GLU 60.A OE2 no hydrogen 2.599 N/A ASN 61.A N PHE 58.A O no hydrogen 3.067 N/A ASN 63.A ND2 ASN 63.A O no hydrogen 2.678 N/A THR 64.A OG1 GLN 89.A OE1 no hydrogen 2.535 N/A THR 66.A OG1 GLN 98.A OE1 no hydrogen 3.501 N/A ARG 69.A NH2 ASP 102.A OD1 no hydrogen 3.542 N/A ASN 70.A ND2 ARG 24.A O no hydrogen 3.204 N/A ASN 70.A ND2 LYS 26.A O no hydrogen 3.004 N/A ILE 71.A N ASP 102.A O no hydrogen 2.813 N/A VAL 72.A N ASN 28.A O no hydrogen 2.997 N/A PHE 73.A N HIS 104.A O no hydrogen 2.618 N/A ILE 74.A N VAL 30.A O no hydrogen 2.976 N/A ALA 75.A N PHE 106.A O no hydrogen 3.449 N/A ARG 76.A N GLU 32.A OE2 no hydrogen 2.713 N/A ARG 76.A NH1 ASP 34.A O no hydrogen 3.544 N/A GLY 77.A N VAL 108.A O no hydrogen 2.872 N/A ALA 85.A N ARG 81.A O no hydrogen 3.040 N/A ILE 86.A N ASN 82.A O no hydrogen 3.065 N/A ALA 87.A N ALA 83.A O no hydrogen 3.291 N/A ALA 88.A N HIS 84.A O no hydrogen 3.029 N/A GLN 89.A N ALA 85.A O no hydrogen 3.266 N/A ILE 90.A N ILE 86.A O no hydrogen 2.949 N/A LYS 91.A N ALA 88.A O no hydrogen 3.357 N/A ARG 92.A N ALA 88.A O no hydrogen 3.160 N/A ILE 93.A N GLN 89.A O no hydrogen 3.120 N/A GLN 94.A N LYS 91.A O no hydrogen 3.322 N/A GLN 94.A NE2 ASP 127.A OD2 no hydrogen 2.636 N/A SER 97.A OG THR 99.A O no hydrogen 3.169 N/A GLN 98.A NE2 THR 66.A O no hydrogen 3.021 N/A HIS 101.A ND1 ARG 69.A O no hydrogen 2.614 N/A HIS 104.A N ILE 71.A O no hydrogen 2.862 N/A ILE 105.A N ASN 129.A O no hydrogen 2.811 N/A PHE 106.A N PHE 73.A O no hydrogen 2.656 N/A TRP 107.A N SER 131.A O no hydrogen 2.895 N/A VAL 108.A N ALA 75.A O no hydrogen 2.945 N/A ARG 110.A NE GLU 78.A OE2 no hydrogen 2.821 N/A ARG 111.A N GLU 132.A OE2 no hydrogen 2.915 N/A ARG 111.A NE ASP 116.A OD1 no hydrogen 2.743 N/A ARG 111.A NE ASP 116.A OD2 no hydrogen 2.718 N/A THR 112.A OG1 GLY 77.A O no hydrogen 3.451 N/A THR 112.A OG1 SER 115.A OG no hydrogen 2.209 N/A SER 115.A N THR 112.A OG1 no hydrogen 3.110 N/A SER 115.A OG GLY 77.A O no hydrogen 3.419 N/A SER 115.A OG THR 112.A O no hydrogen 3.307 N/A SER 115.A OG THR 112.A OG1 no hydrogen 2.209 N/A ASP 116.A N THR 112.A O no hydrogen 3.274 N/A LYS 117.A N LEU 113.A O no hydrogen 3.161 N/A VAL 118.A N PHE 114.A O no hydrogen 3.050 N/A LEU 119.A N SER 115.A O no hydrogen 3.005 N/A GLU 120.A N ASP 116.A O no hydrogen 2.527 N/A GLU 121.A N LYS 117.A O no hydrogen 2.929 N/A GLY 123.A N GLU 120.A O no hydrogen 2.911 N/A ASP 127.A N VAL 124.A O no hydrogen 3.256 N/A ASN 129.A N PHE 103.A O no hydrogen 2.602 N/A ASN 129.A ND2 HIS 104.A NE2 no hydrogen 3.187 N/A SER 131.A N ILE 105.A O no hydrogen 2.788 N/A LEU 133.A N TRP 107.A O no hydrogen 2.870 N/A LEU 135.A N LEU 133.A O no hydrogen 2.522 N/A PHE 138.A N SER 146.A O no hydrogen 2.782 N/A LEU 140.A N VAL 144.A O no hydrogen 2.991 N/A GLU 141.A N VAL 144.A O no hydrogen 3.365 N/A VAL 144.A N GLU 141.A O no hydrogen 3.402 N/A LEU 145.A N ILE 582.A O no hydrogen 2.623 N/A SER 146.A N PHE 138.A O no hydrogen 3.152 N/A SER 146.A OG GLU 148.A OE1 no hydrogen 2.408 N/A LEU 147.A N THR 584.A O no hydrogen 3.045 N/A GLU 148.A N SER 146.A OG no hydrogen 2.991 N/A LEU 149.A N THR 585.A O no hydrogen 3.109 N/A SER 152.A N LEU 149.A O no hydrogen 3.133 N/A SER 152.A OG LEU 149.A O no hydrogen 2.960 N/A SER 152.A OG THR 585.A OG1 no hydrogen 3.311 N/A ARG 154.A NH2 ASP 155.A OD1 no hydrogen 3.005 N/A ASP 155.A N ASP 151.A O no hydrogen 2.902 N/A LEU 156.A N SER 152.A O no hydrogen 3.028 N/A TYR 157.A N PHE 153.A O no hydrogen 3.183 N/A TYR 157.A OH ASP 233.A OD1 no hydrogen 2.653 N/A TYR 157.A OH VAL 556.A O no hydrogen 3.087 N/A LEU 158.A N ARG 154.A O no hydrogen 2.983 N/A ALA 159.A N ARG 154.A O no hydrogen 3.141 N/A ASP 161.A N ASP 155.A O no hydrogen 2.910 N/A THR 163.A N ASP 161.A OD1 no hydrogen 3.019 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 3.055 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 3.440 N/A PHE 166.A N PRO 162.A O no hydrogen 3.001 N/A LEU 167.A N THR 163.A O no hydrogen 2.951 N/A LEU 168.A N PRO 164.A O no hydrogen 2.974 N/A SER 169.A N VAL 165.A O no hydrogen 3.017 N/A SER 169.A OG VAL 165.A O no hydrogen 2.779 N/A ARG 170.A N PHE 166.A O no hydrogen 3.002 N/A ARG 170.A NE TYR 136.A OH no hydrogen 2.922 N/A ALA 171.A N LEU 167.A O no hydrogen 2.762 N/A LEU 172.A N LEU 168.A O no hydrogen 2.933 N/A MET 173.A N SER 169.A O no hydrogen 2.827 N/A GLY 174.A N ARG 170.A O no hydrogen 2.869 N/A ILE 175.A N ALA 171.A O no hydrogen 3.362 N/A GLN 176.A N LEU 172.A O no hydrogen 3.216 N/A LYS 177.A N MET 173.A O no hydrogen 2.917 N/A LYS 178.A N GLY 174.A O no hydrogen 3.333 N/A HIS 179.A N ILE 175.A O no hydrogen 2.962 N/A HIS 179.A NE2 GLN 7.A OE1 no hydrogen 2.609 N/A GLY 180.A N GLN 176.A O no hydrogen 2.661 N/A LEU 181.A N SER 221.A O no hydrogen 3.143 N/A PHE 182.A N GLN 176.A OE1 no hydrogen 2.727 N/A ARG 184.A NH1 ASP 541.A OD2 no hydrogen 2.580 N/A ILE 185.A N GLU 542.A O no hydrogen 2.819 N/A ILE 186.A N VAL 229.A O no hydrogen 2.884 N/A GLY 187.A N PHE 540.A O no hydrogen 3.134 N/A LYS 188.A N ILE 231.A O no hydrogen 2.839 N/A LYS 188.A NZ VAL 532.A O no hydrogen 3.146 N/A LYS 188.A NZ ALA 535.A O no hydrogen 2.973 N/A LYS 188.A NZ GLY 537.A O no hydrogen 2.637 N/A LYS 188.A NZ THR 539.A OG1 no hydrogen 2.614 N/A GLY 189.A N PRO 538.A O no hydrogen 2.939 N/A ASN 191.A N ASP 233.A OD2 no hydrogen 2.748 N/A ASN 191.A ND2 ASP 233.A OD1 no hydrogen 3.554 N/A ASN 191.A ND2 ASP 233.A OD2 no hydrogen 2.760 N/A LYS 193.A N GLY 189.A O no hydrogen 3.203 N/A ARG 194.A N GLU 190.A O no hydrogen 3.120 N/A ARG 194.A NH1 ASN 191.A OD1 no hydrogen 3.411 N/A VAL 195.A N ASN 191.A O no hydrogen 3.051 N/A ALA 196.A N ALA 192.A O no hydrogen 3.062 N/A ASP 197.A N LYS 193.A O no hydrogen 2.737 N/A LEU 198.A N ARG 194.A O no hydrogen 2.903 N/A LEU 199.A N VAL 195.A O no hydrogen 2.898 N/A SER 200.A N ALA 196.A O no hydrogen 3.133 N/A SER 200.A N ASP 197.A O no hydrogen 3.233 N/A ARG 201.A N ASP 197.A O no hydrogen 2.887 N/A MET 202.A N LEU 198.A O no hydrogen 2.886 N/A ARG 203.A N LEU 199.A O no hydrogen 3.398 N/A GLN 204.A N SER 200.A O no hydrogen 3.229 N/A GLN 204.A NE2 SER 200.A O no hydrogen 3.227 N/A GLU 205.A N ARG 201.A O no hydrogen 3.227 N/A LEU 206.A N MET 202.A O no hydrogen 3.020 N/A LEU 206.A N ARG 203.A O no hydrogen 3.080 N/A LEU 207.A N ARG 203.A O no hydrogen 3.055 N/A LEU 207.A N GLN 204.A O no hydrogen 3.064 N/A ALA 208.A N GLN 204.A O no hydrogen 2.644 N/A GLY 209.A N GLU 205.A O no hydrogen 3.074 N/A GLU 210.A N LEU 206.A O no hydrogen 3.171 N/A GLU 211.A N LEU 207.A O no hydrogen 3.166 N/A ALA 212.A N ALA 208.A O no hydrogen 3.256 N/A GLU 214.A N GLY 209.A O no hydrogen 2.934 N/A ALA 218.A N ASP 216.A O no hydrogen 2.360 N/A SER 223.A N LEU 181.A O no hydrogen 2.913 N/A SER 223.A OG HIS 179.A O no hydrogen 2.830 N/A THR 225.A N SER 223.A OG no hydrogen 2.978 N/A GLU 227.A N THR 550.A O no hydrogen 2.920 N/A VAL 229.A N ARG 184.A O no hydrogen 3.068 N/A ILE 230.A N PHE 552.A O no hydrogen 2.769 N/A ILE 231.A N ILE 186.A O no hydrogen 2.625 N/A ILE 232.A N VAL 554.A O no hydrogen 2.872 N/A ASP 233.A N LYS 188.A O no hydrogen 2.893 N/A ARG 234.A N VAL 556.A O no hydrogen 3.001 N/A ARG 234.A NE ARG 234.A O no hydrogen 3.243 N/A ARG 234.A NE ASP 237.A O no hydrogen 3.428 N/A ARG 234.A NH1 GLY 558.A O no hydrogen 3.083 N/A ARG 234.A NH1 GLU 563.A OE1 no hydrogen 3.372 N/A ARG 234.A NH1 GLU 563.A OE2 no hydrogen 2.828 N/A ARG 234.A NH2 ASP 237.A O no hydrogen 3.011 N/A ARG 234.A NH2 GLU 563.A OE1 no hydrogen 2.715 N/A GLU 235.A N ASP 233.A OD1 no hydrogen 3.099 N/A VAL 236.A N ASP 233.A O no hydrogen 3.056 N/A ASP 237.A N ARG 234.A O no hydrogen 3.065 N/A VAL 239.A N TYR 465.A OH no hydrogen 3.498 N/A THR 240.A N ASP 237.A OD1 no hydrogen 3.466 N/A THR 240.A OG1 ASP 237.A OD1 no hydrogen 3.441 N/A THR 240.A OG1 ASP 237.A OD2 no hydrogen 2.639 N/A LEU 242.A N PHE 238.A O no hydrogen 3.369 N/A LEU 243.A N VAL 239.A O no hydrogen 3.051 N/A THR 244.A N GLN 363.A OE1 no hydrogen 2.859 N/A GLN 245.A N GLU 254.A OE1 no hydrogen 3.430 N/A TYR 248.A N ALA 288.A O no hydrogen 2.926 N/A TYR 248.A OH HIS 340.A ND1 no hydrogen 2.801 N/A GLU 249.A N ARG 286.A O no hydrogen 3.271 N/A GLY 250.A N THR 247.A OG1 no hydrogen 3.000 N/A LEU 251.A N THR 247.A O no hydrogen 2.798 N/A ILE 252.A N TYR 248.A O no hydrogen 3.008 N/A ASP 253.A N GLU 249.A O no hydrogen 2.980 N/A GLU 254.A N GLY 250.A O no hydrogen 2.851 N/A TYR 255.A N ILE 252.A O no hydrogen 3.281 N/A TYR 255.A OH GLU 346.A OE2 no hydrogen 3.288 N/A PHE 256.A N ILE 252.A O no hydrogen 2.595 N/A GLY 257.A N ILE 252.A O no hydrogen 3.008 N/A ILE 258.A N ASP 253.A OD1 no hydrogen 2.729 N/A GLN 259.A N GLN 262.A O no hydrogen 3.033 N/A ASN 260.A ND2 GLU 148.A OE2 no hydrogen 3.009 N/A ASN 261.A ND2 LEU 140.A O no hydrogen 3.303 N/A GLN 262.A N GLN 259.A O no hydrogen 2.877 N/A THR 263.A N ILE 273.A O no hydrogen 2.964 N/A THR 263.A OG1 GLY 257.A O no hydrogen 3.023 N/A VAL 265.A N ARG 271.A O no hydrogen 2.902 N/A ARG 271.A N VAL 265.A O no hydrogen 2.844 N/A LYS 272.A NZ ASP 264.A OD1 no hydrogen 2.864 N/A ILE 273.A N THR 263.A O no hydrogen 2.693 N/A GLN 274.A NE2 ASP 276.A OD2 no hydrogen 3.186 N/A LEU 275.A N ASN 261.A O no hydrogen 2.636 N/A GLY 277.A N GLU 141.A OE2 no hydrogen 2.485 N/A SER 278.A N ASP 276.A OD1 no hydrogen 3.066 N/A SER 278.A OG ASP 276.A OD1 no hydrogen 2.446 N/A LEU 281.A N ASP 279.A OD1 no hydrogen 3.388 N/A TYR 282.A OH GLU 249.A OE1 no hydrogen 2.887 N/A SER 283.A N ASP 279.A O no hydrogen 3.140 N/A SER 283.A OG ASP 279.A O no hydrogen 3.316 N/A GLN 284.A N LEU 281.A O no hydrogen 3.144 N/A LEU 285.A N LEU 281.A O no hydrogen 3.178 N/A ARG 286.A N TYR 282.A O no hydrogen 2.798 N/A ARG 286.A NE GLU 249.A OE1 no hydrogen 3.321 N/A ARG 286.A NE GLU 249.A OE2 no hydrogen 3.085 N/A ARG 286.A NH1 GLU 141.A OE2 no hydrogen 2.996 N/A ARG 286.A NH2 GLU 249.A OE1 no hydrogen 2.559 N/A ALA 288.A N LEU 285.A O no hydrogen 3.181 N/A ASN 289.A ND2 TYR 489.A O no hydrogen 2.882 N/A ASN 289.A ND2 SER 492.A OG no hydrogen 3.167 N/A PHE 290.A N LEU 246.A O no hydrogen 3.066 N/A ALA 291.A N ASN 289.A OD1 no hydrogen 2.942 N/A ILE 292.A N ASN 289.A O no hydrogen 3.279 N/A VAL 293.A N PHE 290.A O no hydrogen 3.199 N/A LEU 296.A N ILE 292.A O no hydrogen 2.899 N/A LEU 297.A N VAL 293.A O no hydrogen 2.458 N/A ASN 298.A N GLY 294.A O no hydrogen 2.910 N/A THR 299.A OG1 SER 295.A O no hydrogen 2.344 N/A VAL 300.A N LEU 296.A O no hydrogen 3.188 N/A ALA 301.A N LEU 297.A O no hydrogen 3.155 N/A ARG 302.A N ASN 298.A O no hydrogen 2.478 N/A ARG 303.A N VAL 300.A O no hydrogen 3.282 N/A ARG 303.A NH2 GLU 333.A OE1 no hydrogen 3.115 N/A LEU 304.A N VAL 300.A O no hydrogen 2.970 N/A LYS 305.A N ALA 301.A O no hydrogen 3.496 N/A SER 306.A OG ARG 302.A O no hydrogen 3.167 N/A ASP 307.A N LEU 304.A O no hydrogen 3.073 N/A TYR 308.A N LEU 304.A O no hydrogen 2.984 N/A GLU 309.A N LYS 305.A O no hydrogen 3.326 N/A SER 310.A OG ASP 307.A O no hydrogen 3.286 N/A HIS 312.A NE2 GLU 309.A OE2 no hydrogen 2.446 N/A THR 314.A OG1 GLU 319.A OE1 no hydrogen 3.384 N/A THR 316.A N THR 314.A O no hydrogen 2.457 N/A LEU 320.A N THR 317.A O no hydrogen 3.226 N/A LYS 321.A N THR 317.A O no hydrogen 2.558 N/A GLU 322.A N ALA 318.A O no hydrogen 2.333 N/A VAL 324.A N LEU 320.A O no hydrogen 2.650 N/A LYS 325.A N LYS 321.A O no hydrogen 3.099 N/A LYS 326.A N GLU 322.A O no hydrogen 3.228 N/A LEU 327.A N VAL 324.A O no hydrogen 3.353 N/A TYR 330.A N LEU 327.A O no hydrogen 3.222 N/A TYR 330.A OH ASP 307.A OD2 no hydrogen 2.316 N/A GLN 331.A N LEU 327.A O no hydrogen 3.263 N/A ALA 332.A N PRO 328.A O no hydrogen 3.194 N/A GLU 333.A N GLY 329.A O no hydrogen 3.417 N/A GLN 334.A N TYR 330.A O no hydrogen 2.756 N/A GLN 335.A N GLN 331.A O no hydrogen 2.982 N/A SER 336.A N ALA 332.A O no hydrogen 2.865 N/A SER 336.A OG ASP 279.A OD1 no hydrogen 3.220 N/A SER 336.A OG ASP 279.A OD2 no hydrogen 2.778 N/A LEU 337.A N GLU 333.A O no hydrogen 3.062 N/A LYS 338.A N GLN 334.A O no hydrogen 3.270 N/A ILE 339.A N GLN 335.A O no hydrogen 3.235 N/A HIS 340.A N SER 336.A O no hydrogen 3.036 N/A HIS 340.A ND1 TYR 248.A OH no hydrogen 2.801 N/A SER 341.A OG LEU 337.A O no hydrogen 2.416 N/A ASN 342.A N LYS 338.A O no hydrogen 3.222 N/A ASN 342.A ND2 VAL 268.A O no hydrogen 2.447 N/A ILE 343.A N ILE 339.A O no hydrogen 2.817 N/A ALA 344.A N HIS 340.A O no hydrogen 3.360 N/A GLU 345.A N SER 341.A O no hydrogen 3.024 N/A GLU 346.A N ASN 342.A O no hydrogen 3.002 N/A ILE 347.A N ILE 343.A O no hydrogen 3.092 N/A ILE 348.A N ALA 344.A O no hydrogen 3.064 N/A ASN 349.A N GLU 345.A O no hydrogen 3.293 N/A ASN 349.A N GLU 346.A O no hydrogen 3.224 N/A TYR 350.A N GLU 346.A O no hydrogen 3.212 N/A THR 351.A N ILE 347.A O no hydrogen 3.043 N/A THR 351.A OG1 ILE 347.A O no hydrogen 3.152 N/A THR 351.A OG1 ILE 348.A O no hydrogen 2.973 N/A ARG 352.A N ASN 349.A O no hydrogen 3.300 N/A THR 353.A OG1 TYR 350.A O no hydrogen 3.516 N/A PHE 356.A N THR 353.A OG1 no hydrogen 3.181 N/A ASN 357.A N THR 353.A O no hydrogen 3.453 N/A ASN 357.A ND2 THR 351.A O no hydrogen 3.122 N/A ASN 357.A ND2 THR 353.A O no hydrogen 2.478 N/A LYS 358.A N GLU 354.A O no hydrogen 2.706 N/A LYS 358.A NZ GLU 381.A OE1 no hydrogen 2.789 N/A LYS 358.A NZ GLU 381.A OE2 no hydrogen 3.023 N/A LEU 359.A N ILE 355.A O no hydrogen 2.916 N/A LEU 360.A N PHE 356.A O no hydrogen 2.836 N/A GLU 361.A N ASN 357.A O no hydrogen 2.808 N/A VAL 362.A N LYS 358.A O no hydrogen 3.242 N/A GLN 363.A N LEU 359.A O no hydrogen 2.949 N/A GLN 363.A NE2 THR 244.A OG1 no hydrogen 3.140 N/A GLN 364.A N LEU 360.A O no hydrogen 2.850 N/A ASN 365.A N GLU 361.A O no hydrogen 3.265 N/A LEU 366.A N VAL 362.A O no hydrogen 3.097 N/A ALA 367.A N GLN 363.A O no hydrogen 3.050 N/A ALA 368.A N GLN 364.A O no hydrogen 2.921 N/A GLY 369.A N ASN 365.A O no hydrogen 3.074 N/A GLY 369.A N LEU 366.A O no hydrogen 3.249 N/A ALA 370.A N ASN 365.A O no hydrogen 2.907 N/A SER 373.A OG ASP 371.A OD1 no hydrogen 3.464 N/A SER 373.A OG GLU 410.A OE1 no hydrogen 2.541 N/A SER 374.A N ASP 371.A O no hydrogen 2.853 N/A SER 374.A OG ASP 371.A O no hydrogen 2.510 N/A GLN 375.A N PRO 372.A O no hydrogen 3.127 N/A GLN 375.A NE2 SER 374.A OG no hydrogen 2.988 N/A PHE 376.A N SER 373.A O no hydrogen 3.042 N/A ILE 379.A N GLN 375.A O no hydrogen 3.120 N/A GLU 380.A N PHE 376.A O no hydrogen 3.060 N/A GLU 381.A N ASP 377.A O no hydrogen 2.990 N/A LEU 382.A N SER 378.A O no hydrogen 3.019 N/A VAL 383.A N ILE 379.A O no hydrogen 3.018 N/A ALA 384.A N GLU 380.A O no hydrogen 3.035 N/A ARG 385.A N GLU 381.A O no hydrogen 2.838 N/A ARG 385.A NH1 GLU 354.A OE1 no hydrogen 3.001 N/A ARG 385.A NH1 GLU 381.A OE1 no hydrogen 3.345 N/A ARG 385.A NH2 GLU 354.A OE1 no hydrogen 3.313 N/A ASP 386.A N VAL 383.A O no hydrogen 2.965 N/A THR 387.A N LEU 382.A O no hydrogen 3.096 N/A THR 387.A OG1 LEU 382.A O no hydrogen 3.234 N/A GLN 391.A N PRO 388.A O no hydrogen 2.988 N/A VAL 392.A N PRO 388.A O no hydrogen 3.327 N/A LEU 393.A N LEU 389.A O no hydrogen 3.004 N/A ARG 394.A N PRO 390.A O no hydrogen 3.159 N/A ARG 394.A NE LEU 242.A O no hydrogen 2.863 N/A ARG 394.A NH1 GLU 254.A OE2 no hydrogen 3.168 N/A ARG 394.A NH2 LEU 242.A O no hydrogen 2.752 N/A ARG 394.A NH2 LEU 243.A O no hydrogen 3.209 N/A ARG 394.A NH2 GLU 254.A OE1 no hydrogen 2.952 N/A LEU 395.A N GLN 391.A O no hydrogen 3.352 N/A LEU 396.A N VAL 392.A O no hydrogen 3.078 N/A CYS 397.A N LEU 393.A O no hydrogen 2.804 N/A CYS 397.A SG LEU 393.A O no hydrogen 3.428 N/A CYS 397.A SG MET 438.A O no hydrogen 3.553 N/A LEU 398.A N ARG 394.A O no hydrogen 2.901 N/A TYR 399.A N LEU 395.A O no hydrogen 2.823 N/A TYR 399.A OH GLU 410.A OE2 no hydrogen 2.607 N/A SER 400.A N LEU 396.A O no hydrogen 2.952 N/A CYS 401.A N CYS 397.A O no hydrogen 2.771 N/A CYS 401.A SG CYS 397.A O no hydrogen 3.260 N/A CYS 401.A SG MET 438.A O no hydrogen 3.606 N/A ILE 402.A N LEU 398.A O no hydrogen 3.085 N/A GLY 405.A N SER 400.A O no hydrogen 2.864 N/A ILE 406.A N LEU 440.A O no hydrogen 2.978 N/A LYS 407.A NZ SER 373.A OG no hydrogen 3.271 N/A THR 408.A OG1 SER 443.A OG no hydrogen 3.346 N/A LEU 411.A N LYS 407.A O no hydrogen 2.788 N/A ASP 412.A N THR 408.A O no hydrogen 3.450 N/A PHE 414.A N GLU 410.A O no hydrogen 3.111 N/A ARG 415.A N LEU 411.A O no hydrogen 3.101 N/A ARG 416.A N ASP 412.A O no hydrogen 3.220 N/A LEU 417.A N HIS 413.A O no hydrogen 2.878 N/A VAL 418.A N PHE 414.A O no hydrogen 2.939 N/A LEU 419.A N ARG 415.A O no hydrogen 2.929 N/A GLN 420.A N ARG 416.A O no hydrogen 3.043 N/A GLY 421.A N LEU 417.A O no hydrogen 2.767 N/A TYR 422.A N VAL 418.A O no hydrogen 2.941 N/A TYR 422.A OH THR 387.A O no hydrogen 2.662 N/A GLY 423.A N LEU 419.A O no hydrogen 2.812 N/A HIS 426.A N GLY 423.A O no hydrogen 3.057 N/A HIS 426.A ND1 THR 429.A OG1 no hydrogen 2.654 N/A LEU 427.A N HIS 424.A O no hydrogen 3.095 N/A LEU 428.A N GLN 425.A O no hydrogen 3.025 N/A THR 429.A OG1 HIS 426.A ND1 no hydrogen 2.654 N/A LEU 430.A N HIS 426.A O no hydrogen 2.973 N/A HIS 431.A N LEU 427.A O no hydrogen 3.188 N/A ASN 432.A N LEU 428.A O no hydrogen 2.834 N/A ASN 432.A ND2 ALA 597.A O no hydrogen 3.051 N/A LEU 433.A N THR 429.A O no hydrogen 3.161 N/A GLU 434.A N LEU 430.A O no hydrogen 2.987 N/A ARG 435.A N HIS 431.A O no hydrogen 2.949 N/A LEU 436.A N ASN 432.A O no hydrogen 2.943 N/A GLN 437.A N GLU 434.A O no hydrogen 2.960 N/A MET 438.A N LEU 433.A O no hydrogen 3.036 N/A LEU 440.A N SER 400.A OG no hydrogen 2.955 N/A SER 441.A OG SER 443.A OG no hydrogen 2.573 N/A LYS 442.A N ILE 406.A O no hydrogen 2.721 N/A LYS 442.A NZ SER 403.A O no hydrogen 3.398 N/A LYS 442.A NZ GLY 405.A O no hydrogen 2.929 N/A SER 443.A N SER 441.A OG no hydrogen 3.189 N/A SER 443.A OG THR 408.A OG1 no hydrogen 3.346 N/A SER 443.A OG SER 441.A OG no hydrogen 2.573 N/A SER 444.A N SER 441.A O no hydrogen 2.893 N/A LEU 446.A N SER 444.A OG no hydrogen 3.378 N/A ALA 447.A N SER 444.A O no hydrogen 3.150 N/A SER 448.A OG PRO 445.A O no hydrogen 3.530 N/A ILE 450.A N LYS 462.A O no hydrogen 3.088 N/A GLN 461.A NE2 GLY 457.A O no hydrogen 2.265 N/A LYS 462.A N SER 448.A O no hydrogen 2.749 N/A LYS 462.A NZ GLN 437.A OE1 no hydrogen 2.573 N/A LYS 462.A NZ LEU 446.A O no hydrogen 2.480 N/A LYS 462.A NZ ASP 460.A O no hydrogen 3.317 N/A THR 463.A OG1 VAL 236.A O no hydrogen 2.514 N/A ASN 464.A N HIS 534.A O no hydrogen 3.044 N/A ASN 464.A ND2 ILE 450.A O no hydrogen 3.011 N/A TYR 465.A OH ASP 237.A OD1 no hydrogen 3.015 N/A TYR 467.A N ASN 464.A OD1 no hydrogen 2.735 N/A LEU 468.A N ASN 464.A O no hydrogen 3.142 N/A ARG 469.A N TYR 465.A O no hydrogen 2.761 N/A ARG 469.A NE ALA 367.A O no hydrogen 2.678 N/A ARG 469.A NH2 ALA 367.A O no hydrogen 3.259 N/A GLN 471.A N TYR 467.A O no hydrogen 3.124 N/A LEU 472.A N LEU 468.A O no hydrogen 2.971 N/A ARG 473.A N LYS 470.A O no hydrogen 3.134 N/A ARG 473.A NE ILE 475.A O no hydrogen 3.187 N/A ARG 473.A NH1 ILE 514.A O no hydrogen 3.138 N/A ARG 473.A NH2 GLU 478.A OE2 no hydrogen 3.315 N/A LEU 474.A N ARG 469.A O no hydrogen 2.850 N/A VAL 476.A N GLY 493.A O no hydrogen 2.948 N/A GLU 478.A N GLU 478.A OE1 no hydrogen 3.330 N/A ASN 480.A ND2 ASP 483.A O no hydrogen 3.023 N/A ASP 483.A N ASN 480.A OD1 no hydrogen 2.820 N/A ASN 485.A N ASN 485.A OD1 no hydrogen 2.576 N/A ALA 488.A N ASP 486.A OD2 no hydrogen 3.042 N/A TYR 489.A N ASP 486.A O no hydrogen 3.202 N/A TYR 489.A OH ASP 287.A O no hydrogen 2.554 N/A VAL 490.A N ILE 487.A O no hydrogen 3.244 N/A TYR 491.A N ALA 488.A O no hydrogen 3.437 N/A SER 492.A N TYR 489.A O no hydrogen 3.073 N/A SER 492.A OG GLU 481.A OE1 no hydrogen 3.088 N/A GLY 493.A N ALA 488.A O no hydrogen 2.915 N/A ALA 495.A N LEU 474.A O no hydrogen 3.012 N/A SER 498.A N ASP 237.A OD2 no hydrogen 3.099 N/A SER 498.A OG ASP 237.A OD2 no hydrogen 3.543 N/A SER 498.A OG GLU 563.A OE1 no hydrogen 2.448 N/A ARG 500.A N PRO 496.A O no hydrogen 3.093 N/A ARG 500.A NE GLN 503.A OE1 no hydrogen 2.911 N/A ARG 500.A NH1 LEU 472.A O no hydrogen 2.927 N/A LEU 501.A N LEU 497.A O no hydrogen 2.950 N/A VAL 502.A N SER 498.A O no hydrogen 3.251 N/A GLN 503.A N ILE 499.A O no hydrogen 2.961 N/A GLN 503.A NE2 GLN 507.A OE1 no hydrogen 3.144 N/A CYS 504.A N ARG 500.A O no hydrogen 3.034 N/A CYS 504.A N LEU 501.A O no hydrogen 2.951 N/A CYS 504.A SG ARG 500.A O no hydrogen 3.366 N/A VAL 505.A N VAL 502.A O no hydrogen 2.944 N/A LEU 506.A N VAL 502.A O no hydrogen 2.920 N/A GLN 507.A N GLN 503.A O no hydrogen 2.936 N/A GLN 507.A NE2 GLN 573.A OE1 no hydrogen 2.920 N/A GLN 507.A NE2 GLU 574.A OE1 no hydrogen 3.452 N/A LYS 508.A NZ CYS 504.A O no hydrogen 3.177 N/A LYS 508.A NZ GLY 524.A O no hydrogen 2.579 N/A LYS 508.A NZ LYS 526.A O no hydrogen 2.760 N/A TYR 510.A OH ASP 486.A OD1 no hydrogen 2.518 N/A LEU 511.A N GLN 507.A O no hydrogen 3.230 N/A LEU 512.A N LYS 508.A O no hydrogen 3.217 N/A SER 513.A N GLN 509.A O no hydrogen 3.032 N/A ILE 514.A N TYR 510.A O no hydrogen 3.185 N/A ILE 514.A N LEU 511.A O no hydrogen 3.130 N/A THR 515.A N LEU 512.A O no hydrogen 3.208 N/A THR 515.A OG1 LEU 511.A O no hydrogen 2.634 N/A LYS 516.A N LEU 512.A O no hydrogen 3.301 N/A GLY 517.A N LEU 512.A O no hydrogen 3.357 N/A GLY 521.A N GLY 519.A O no hydrogen 2.691 N/A GLY 524.A N GLN 523.A OE1 no hydrogen 2.936 N/A TRP 525.A NE1 PHE 540.A O no hydrogen 2.786 N/A PHE 528.A N TRP 525.A O no hydrogen 2.882 N/A VAL 532.A N PHE 528.A O no hydrogen 3.167 N/A LYS 533.A N GLU 529.A O no hydrogen 3.170 N/A HIS 534.A N ILE 531.A O no hydrogen 3.005 N/A HIS 534.A ND1 GLU 530.A O no hydrogen 2.943 N/A ALA 535.A N VAL 532.A O no hydrogen 2.960 N/A ARG 536.A N THR 463.A OG1 no hydrogen 3.008 N/A ARG 536.A NE ASP 460.A OD1 no hydrogen 3.046 N/A ARG 536.A NH1 GLU 235.A O no hydrogen 3.047 N/A ARG 536.A NH2 ASP 460.A OD2 no hydrogen 2.730 N/A PHE 540.A N GLY 187.A O no hydrogen 3.021 N/A GLU 542.A N ILE 185.A O no hydrogen 3.107 N/A GLN 544.A N PRO 183.A O no hydrogen 3.191 N/A GLN 544.A NE2 GLN 176.A OE1 no hydrogen 2.937 N/A GLN 544.A NE2 PHE 182.A O no hydrogen 2.750 N/A ASP 547.A N ASP 547.A OD1 no hydrogen 2.473 N/A LYS 548.A NZ GLU 575.A O no hydrogen 3.109 N/A THR 550.A N THR 225.A O no hydrogen 3.275 N/A VAL 551.A N ASN 579.A O no hydrogen 2.581 N/A PHE 552.A N SER 228.A O no hydrogen 3.198 N/A VAL 553.A N VAL 581.A O no hydrogen 2.981 N/A VAL 554.A N ILE 230.A O no hydrogen 2.726 N/A PHE 555.A N CYS 583.A O no hydrogen 2.766 N/A VAL 556.A N ILE 232.A O no hydrogen 3.089 N/A GLY 557.A N THR 585.A OG1 no hydrogen 3.223 N/A ILE 559.A N SER 586.A O no hydrogen 3.203 N/A THR 560.A N GLU 563.A OE2 no hydrogen 2.955 N/A THR 560.A OG1 THR 562.A OG1 no hydrogen 2.714 N/A THR 560.A OG1 GLU 563.A OE2 no hydrogen 3.205 N/A THR 562.A N GLN 245.A OE1 no hydrogen 3.366 N/A THR 562.A OG1 GLN 245.A OE1 no hydrogen 3.246 N/A THR 562.A OG1 TYR 491.A OH no hydrogen 2.939 N/A THR 562.A OG1 THR 560.A OG1 no hydrogen 2.714 N/A GLU 563.A N THR 560.A OG1 no hydrogen 2.984 N/A ILE 564.A N THR 560.A O no hydrogen 2.813 N/A ALA 565.A N PHE 561.A O no hydrogen 2.800 N/A ALA 566.A N THR 562.A O no hydrogen 2.866 N/A LEU 567.A N GLU 563.A O no hydrogen 2.974 N/A ARG 568.A N ILE 564.A O no hydrogen 2.841 N/A ARG 568.A NE ASP 143.A OD2 no hydrogen 3.029 N/A ARG 568.A NH1 ASP 287.A OD1 no hydrogen 3.008 N/A ARG 568.A NH1 ASP 287.A OD2 no hydrogen 3.537 N/A PHE 569.A N ALA 565.A O no hydrogen 2.824 N/A ILE 570.A N ALA 566.A O no hydrogen 3.208 N/A ILE 570.A N LEU 567.A O no hydrogen 3.132 N/A ALA 571.A N LEU 567.A O no hydrogen 2.836 N/A LYS 572.A N ARG 568.A O no hydrogen 3.138 N/A GLU 574.A N ALA 571.A O no hydrogen 3.278 N/A GLU 575.A N LYS 572.A O no hydrogen 3.117 N/A ARG 578.A N GLU 574.A O no hydrogen 2.884 N/A ARG 578.A NE GLU 227.A OE1 no hydrogen 2.851 N/A ARG 578.A NE GLU 227.A OE2 no hydrogen 3.303 N/A ARG 578.A NH1 LEU 506.A O no hydrogen 3.298 N/A ARG 578.A NH1 GLU 574.A OE2 no hydrogen 3.210 N/A ARG 578.A NH2 GLU 227.A OE2 no hydrogen 3.003 N/A ASN 579.A N LYS 549.A O no hydrogen 2.845 N/A VAL 581.A N VAL 551.A O no hydrogen 2.825 N/A ILE 582.A N ASP 143.A O no hydrogen 2.751 N/A CYS 583.A N VAL 553.A O no hydrogen 2.946 N/A CYS 583.A SG VAL 581.A O no hydrogen 4.029 N/A THR 584.A N LEU 145.A O no hydrogen 2.940 N/A THR 584.A OG1 PHE 555.A O no hydrogen 3.400 N/A THR 584.A OG1 SER 586.A O no hydrogen 2.503 N/A THR 585.A N PHE 555.A O no hydrogen 3.333 N/A THR 585.A OG1 SER 152.A OG no hydrogen 3.311 N/A SER 586.A N THR 584.A OG1 no hydrogen 3.159 N/A ILE 588.A N ILE 559.A O no hydrogen 2.679 N/A ASN 589.A ND2 ASP 253.A OD2 no hydrogen 2.754 N/A ARG 592.A N ASN 589.A OD1 no hydrogen 2.918 N/A ARG 592.A NH2 ILE 258.A O no hydrogen 2.909 N/A MET 593.A N ASN 589.A O no hydrogen 3.076 N/A MET 594.A N GLY 590.A O no hydrogen 3.100 N/A ASN 595.A N ASN 591.A O no hydrogen 3.033 N/A ALA 596.A N ARG 592.A O no hydrogen 3.332 N/A ALA 596.A N MET 593.A O no hydrogen 3.194 N/A ALA 597.A N MET 594.A O no hydrogen 2.750 N/A ILE 598.A N MET 594.A O no hydrogen 2.986 N/A GLU 599.A N THR 429.A OG1 no hydrogen 2.952 N/A ALA 601.A N GLU 599.A OE1 no hydrogen 3.000 N/A