Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8suy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 2.A OE1 no hydrogen 3.240 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.694 N/A HIS 4.A N THR 1.A O no hydrogen 3.030 N/A LEU 5.A N THR 1.A O no hydrogen 3.298 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.336 N/A SER 7.A OG HIS 4.A O no hydrogen 2.371 N/A LEU 8.A N HIS 4.A O no hydrogen 3.118 N/A ILE 9.A N LEU 5.A O no hydrogen 3.129 N/A CYS 10.A N GLU 6.A O no hydrogen 3.356 N/A CYS 10.A SG GLU 6.A O no hydrogen 3.296 N/A LYS 11.A N SER 7.A O no hydrogen 3.151 N/A LYS 11.A N LEU 8.A O no hydrogen 3.256 N/A LYS 11.A NZ SER 7.A O no hydrogen 3.497 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.655 N/A SER 19.A OG SER 16.A O no hydrogen 2.540 N/A ASN 20.A N SER 16.A O no hydrogen 2.780 N/A LEU 21.A N LEU 17.A O no hydrogen 2.778 N/A GLU 22.A N GLU 18.A O no hydrogen 2.958 N/A GLY 23.A N SER 19.A O no hydrogen 3.091 N/A LEU 24.A N ASN 20.A O no hydrogen 3.041 N/A ALA 25.A N LEU 21.A O no hydrogen 3.199 N/A VAL 27.A N GLY 23.A O no hydrogen 3.263 N/A LEU 28.A N LEU 24.A O no hydrogen 3.116 N/A GLU 29.A N ALA 25.A O no hydrogen 2.996 N/A ALA 30.A N GLY 26.A O no hydrogen 3.248 N/A ALA 30.A N VAL 27.A O no hydrogen 3.301 N/A LEU 32.A N GLU 29.A O no hydrogen 3.298 N/A TYR 35.A N ASP 31.A O no hydrogen 3.050 N/A LYS 38.A NZ GLU 2.A O no hydrogen 2.587 N/A ILE 39.A N TYR 35.A O no hydrogen 2.864 N/A LEU 40.A N LYS 36.A O no hydrogen 2.999 N/A ARG 41.A N SER 37.A O no hydrogen 3.265 N/A LEU 42.A N LYS 38.A O no hydrogen 3.061 N/A LEU 43.A N ILE 39.A O no hydrogen 2.966 N/A CYS 44.A N LEU 40.A O no hydrogen 2.917 N/A THR 45.A N ARG 41.A O no hydrogen 2.994 N/A THR 45.A OG1 ARG 41.A O no hydrogen 3.005 N/A THR 45.A OG1 LEU 42.A O no hydrogen 2.670 N/A VAL 46.A N LEU 42.A O no hydrogen 3.039 N/A ALA 47.A N LEU 43.A O no hydrogen 3.052 N/A ARG 48.A N THR 45.A O no hydrogen 3.149 N/A LEU 49.A N THR 45.A O no hydrogen 2.773 N/A LEU 50.A N VAL 46.A O no hydrogen 3.090 N/A ILE 56.A N LYS 53.A O no hydrogen 3.062 N/A TYR 57.A N LYS 53.A O no hydrogen 3.435 N/A TYR 57.A OH ILE 9.A O no hydrogen 3.024 N/A THR 58.A N LEU 54.A O no hydrogen 2.927 N/A THR 58.A OG1 LEU 54.A O no hydrogen 3.107 N/A THR 58.A OG1 THR 55.A O no hydrogen 2.667 N/A THR 58.A OG1 ASP 104.A OD2 no hydrogen 2.774 N/A THR 59.A N THR 55.A O no hydrogen 3.389 N/A THR 59.A OG1 ILE 56.A O no hydrogen 2.567 N/A LEU 60.A N ILE 56.A O no hydrogen 3.373 N/A VAL 61.A N TYR 57.A O no hydrogen 3.009 N/A GLY 62.A N THR 58.A O no hydrogen 2.854 N/A LEU 63.A N THR 59.A O no hydrogen 2.896 N/A LEU 64.A N LEU 60.A O no hydrogen 3.108 N/A ASN 65.A N VAL 61.A O no hydrogen 2.683 N/A ALA 66.A N GLY 62.A O no hydrogen 2.739 N/A ARG 67.A N LEU 63.A O no hydrogen 3.027 N/A ASN 68.A N LEU 64.A O no hydrogen 2.788 N/A GLY 73.A N ASN 70.A O no hydrogen 3.082 N/A PHE 75.A N PHE 71.A O no hydrogen 3.414 N/A VAL 76.A N GLY 72.A O no hydrogen 3.409 N/A GLU 77.A N GLY 73.A O no hydrogen 3.426 N/A ALA 78.A N GLU 74.A O no hydrogen 2.546 N/A MET 79.A N PHE 75.A O no hydrogen 2.760 N/A ILE 80.A N VAL 76.A O no hydrogen 2.927 N/A ARG 81.A N GLU 77.A O no hydrogen 3.190 N/A GLN 82.A N ALA 78.A O no hydrogen 3.080 N/A LEU 83.A N MET 79.A O no hydrogen 2.941 N/A LYS 84.A N ILE 80.A O no hydrogen 2.552 N/A GLU 85.A N ARG 81.A O no hydrogen 2.864 N/A SER 86.A N GLN 82.A O no hydrogen 2.916 N/A SER 86.A OG ASN 91.A O no hydrogen 3.155 N/A LEU 87.A N LEU 83.A O no hydrogen 3.171 N/A ALA 89.A N GLU 85.A O no hydrogen 3.044 N/A ALA 89.A N SER 86.A O no hydrogen 3.103 N/A ASN 90.A N LEU 87.A O no hydrogen 2.958 N/A ASN 91.A N SER 86.A O no hydrogen 3.213 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.428 N/A VAL 96.A N TYR 92.A O no hydrogen 3.487 N/A LEU 98.A N GLU 94.A O no hydrogen 2.980 N/A VAL 99.A N ALA 95.A O no hydrogen 3.045 N/A ARG 100.A N VAL 96.A O no hydrogen 2.980 N/A ARG 100.A NE SER 146.A OG no hydrogen 2.791 N/A ARG 100.A NH1 GLU 287.A OE2 no hydrogen 2.926 N/A ARG 100.A NH2 SER 146.A OG no hydrogen 2.427 N/A PHE 101.A N TYR 97.A O no hydrogen 3.030 N/A LEU 102.A N LEU 98.A O no hydrogen 2.938 N/A SER 103.A N VAL 99.A O no hydrogen 3.037 N/A SER 103.A OG VAL 99.A O no hydrogen 3.320 N/A SER 103.A OG ARG 100.A O no hydrogen 2.420 N/A ASP 104.A N ARG 100.A O no hydrogen 3.015 N/A LEU 105.A N LEU 102.A O no hydrogen 3.064 N/A ASN 107.A N ASP 104.A O no hydrogen 3.069 N/A HIS 109.A N VAL 106.A O no hydrogen 3.079 N/A VAL 110.A N LEU 105.A O no hydrogen 3.157 N/A ALA 112.A N HIS 237.A O no hydrogen 2.713 N/A SER 115.A OG ALA 112.A O no hydrogen 2.462 N/A MET 116.A N ALA 112.A O no hydrogen 3.295 N/A VAL 117.A N ALA 113.A O no hydrogen 3.181 N/A ALA 118.A N PRO 114.A O no hydrogen 3.237 N/A MET 119.A N SER 115.A O no hydrogen 3.014 N/A PHE 120.A N MET 116.A O no hydrogen 3.031 N/A GLU 121.A N VAL 117.A O no hydrogen 2.922 N/A ASN 122.A N ALA 118.A O no hydrogen 3.416 N/A PHE 123.A N MET 119.A O no hydrogen 3.437 N/A VAL 124.A N PHE 120.A O no hydrogen 2.924 N/A SER 125.A N GLU 121.A O no hydrogen 2.812 N/A SER 125.A OG GLU 121.A O no hydrogen 3.262 N/A SER 125.A OG ASN 122.A O no hydrogen 2.627 N/A VAL 126.A N PHE 123.A O no hydrogen 3.342 N/A THR 127.A N VAL 124.A O no hydrogen 3.118 N/A GLN 128.A N SER 125.A O no hydrogen 2.971 N/A GLU 129.A N VAL 126.A O no hydrogen 2.922 N/A ARG 136.A N PRO 133.A O no hydrogen 3.132 N/A ARG 136.A NH1 PRO 245.A O no hydrogen 3.024 N/A ARG 136.A NH1 TYR 253.A OH no hydrogen 3.440 N/A ARG 136.A NH2 GLU 129.A OE1 no hydrogen 2.956 N/A ARG 136.A NH2 GLU 129.A OE2 no hydrogen 3.316 N/A ARG 136.A NH2 PRO 245.A O no hydrogen 3.133 N/A ASP 138.A N GLN 134.A O no hydrogen 3.123 N/A TRP 139.A N VAL 135.A O no hydrogen 3.196 N/A TYR 140.A N ARG 136.A O no hydrogen 3.488 N/A VAL 141.A N ARG 137.A O no hydrogen 3.326 N/A TYR 142.A N ASP 138.A O no hydrogen 2.751 N/A ALA 143.A N TRP 139.A O no hydrogen 2.691 N/A PHE 144.A N TYR 140.A O no hydrogen 3.090 N/A LEU 145.A N VAL 141.A O no hydrogen 2.973 N/A SER 146.A N TYR 142.A O no hydrogen 2.744 N/A SER 147.A N ALA 143.A O no hydrogen 3.394 N/A SER 147.A OG ALA 143.A O no hydrogen 3.305 N/A SER 147.A OG PHE 144.A O no hydrogen 2.912 N/A LEU 148.A N LEU 145.A O no hydrogen 3.104 N/A VAL 151.A N LEU 148.A O no hydrogen 2.729 N/A LEU 155.A N VAL 151.A O no hydrogen 3.226 N/A TYR 156.A N GLY 152.A O no hydrogen 3.155 N/A GLU 157.A N LYS 153.A O no hydrogen 3.422 N/A LYS 159.A N LEU 155.A O no hydrogen 3.383 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.588 N/A MET 163.A N LYS 159.A O no hydrogen 3.328 N/A ASP 164.A N ASP 160.A O no hydrogen 2.939 N/A ILE 166.A N GLU 162.A O no hydrogen 3.228 N/A PHE 167.A N MET 163.A O no hydrogen 2.547 N/A ALA 168.A N ASP 164.A O no hydrogen 2.874 N/A ASN 169.A N ARG 165.A O no hydrogen 2.887 N/A THR 170.A N ILE 166.A O no hydrogen 2.911 N/A THR 170.A OG1 ILE 166.A O no hydrogen 3.223 N/A THR 170.A OG1 PHE 167.A O no hydrogen 2.582 N/A GLU 171.A N PHE 167.A O no hydrogen 2.748 N/A SER 172.A N ALA 168.A O no hydrogen 2.704 N/A TYR 173.A N ASN 169.A O no hydrogen 2.936 N/A TYR 173.A OH ASP 138.A OD1 no hydrogen 2.220 N/A LEU 174.A N THR 170.A O no hydrogen 3.043 N/A LYS 175.A N SER 172.A O no hydrogen 3.345 N/A ARG 176.A N TYR 173.A O no hydrogen 3.101 N/A ARG 177.A NE ASP 138.A OD1 no hydrogen 2.754 N/A ARG 177.A NE ASP 138.A OD2 no hydrogen 3.211 N/A ARG 177.A NH1 GLU 198.A OE1 no hydrogen 2.573 N/A ARG 177.A NH2 ASP 138.A OD2 no hydrogen 2.345 N/A ARG 177.A NH2 GLU 198.A OE2 no hydrogen 2.327 N/A LYS 179.A NZ ASP 201.A OD2 no hydrogen 2.534 N/A LEU 185.A N VAL 182.A O no hydrogen 2.793 N/A GLN 186.A N VAL 182.A O no hydrogen 2.901 N/A GLN 196.A NE2 ARG 261.A O no hydrogen 3.376 N/A CYS 202.A N GLU 198.A O no hydrogen 2.949 N/A CYS 202.A SG GLU 197.A OE2 no hydrogen 3.277 N/A CYS 202.A SG GLN 206.A OE1 no hydrogen 3.313 N/A LEU 203.A N TYR 199.A O no hydrogen 2.647 N/A TRP 204.A N LEU 200.A O no hydrogen 2.769 N/A ALA 205.A N ASP 201.A O no hydrogen 3.195 N/A GLN 206.A N CYS 202.A O no hydrogen 3.167 N/A GLN 206.A NE2 SER 279.A O no hydrogen 2.578 N/A ILE 207.A N LEU 203.A O no hydrogen 2.981 N/A GLN 208.A N TRP 204.A O no hydrogen 2.932 N/A LYS 209.A N ALA 205.A O no hydrogen 3.059 N/A LEU 210.A N GLN 206.A O no hydrogen 2.925 N/A LYS 211.A N ILE 207.A O no hydrogen 2.689 N/A LYS 212.A N GLN 208.A O no hydrogen 2.757 N/A ASP 213.A N LYS 209.A O no hydrogen 3.187 N/A TRP 215.A N LEU 210.A O no hydrogen 2.853 N/A HIS 219.A NE2 TYR 310.A OH no hydrogen 3.221 N/A ARG 222.A NE GLU 217.A OE2 no hydrogen 2.949 N/A ARG 222.A NH1 TRP 150.A O no hydrogen 3.251 N/A ARG 222.A NH1 TYR 224.A OH no hydrogen 2.374 N/A ARG 222.A NH2 PRO 149.A O no hydrogen 3.000 N/A ARG 222.A NH2 GLU 217.A OE2 no hydrogen 2.407 N/A LEU 225.A N ARG 222.A O no hydrogen 3.151 N/A ALA 226.A N PRO 223.A O no hydrogen 3.122 N/A SER 229.A N ASP 228.A OD1 no hydrogen 2.710 N/A CYS 232.A N SER 229.A O no hydrogen 3.429 N/A CYS 232.A SG ASP 228.A O no hydrogen 3.110 N/A ALA 234.A N LEU 231.A O no hydrogen 3.335 N/A GLN 236.A N GLN 236.A OE1 no hydrogen 2.557 N/A HIS 237.A N VAL 110.A O no hydrogen 2.581 N/A HIS 237.A ND1 VAL 110.A O no hydrogen 3.162 N/A HIS 237.A NE2 TYR 69.A O no hydrogen 3.099 N/A PHE 242.A N PRO 240.A O no hydrogen 2.617 N/A THR 243.A OG1 PRO 244.A O no hydrogen 3.317 N/A HIS 247.A ND1 TYR 253.A OH no hydrogen 2.601 N/A THR 248.A OG1 ASP 250.A OD1 no hydrogen 2.499 N/A SER 251.A N THR 248.A O no hydrogen 3.134 N/A SER 251.A OG HIS 247.A ND1 no hydrogen 3.091 N/A SER 251.A OG THR 248.A O no hydrogen 2.361 N/A SER 251.A OG TYR 253.A OH no hydrogen 2.910 N/A TYR 253.A OH HIS 247.A ND1 no hydrogen 2.601 N/A TYR 253.A OH SER 251.A OG no hydrogen 2.910 N/A ARG 261.A NH1 PHE 260.A O no hydrogen 3.507 N/A ASP 264.A N ASP 267.A OD2 no hydrogen 2.455 N/A THR 266.A N ASP 264.A OD2 no hydrogen 3.082 N/A THR 266.A OG1 ASP 264.A OD2 no hydrogen 2.631 N/A ASP 267.A N ASP 264.A O no hydrogen 2.751 N/A GLY 271.A N ASP 268.A OD1 no hydrogen 3.264 N/A SER 279.A OG GLY 276.A O no hydrogen 2.249 N/A GLU 281.A N GLU 281.A OE1 no hydrogen 2.483 N/A ARG 282.A N SER 279.A O no hydrogen 2.927 N/A ARG 282.A NE PRO 275.A O no hydrogen 3.033 N/A ARG 282.A NE GLY 276.A O no hydrogen 3.210 N/A ARG 282.A NH1 GLU 286.A OE2 no hydrogen 3.526 N/A ARG 282.A NH1 GLU 324.A OE1 no hydrogen 3.093 N/A ARG 282.A NH2 PRO 275.A O no hydrogen 3.116 N/A VAL 284.A N VAL 280.A O no hydrogen 3.253 N/A GLU 286.A N ARG 282.A O no hydrogen 3.115 N/A GLU 287.A N PHE 283.A O no hydrogen 2.889 N/A ASN 288.A N VAL 284.A O no hydrogen 2.972 N/A LEU 289.A N ILE 285.A O no hydrogen 3.063 N/A HIS 290.A N GLU 286.A O no hydrogen 2.888 N/A CYS 291.A N GLU 287.A O no hydrogen 3.184 N/A CYS 291.A SG TYR 97.A OH no hydrogen 3.240 N/A CYS 291.A SG GLU 287.A O no hydrogen 3.264 N/A ILE 292.A N ASN 288.A O no hydrogen 2.928 N/A ILE 293.A N LEU 289.A O no hydrogen 3.040 N/A LYS 294.A N HIS 290.A O no hydrogen 2.842 N/A SER 295.A N CYS 291.A O no hydrogen 2.737 N/A HIS 296.A N ILE 292.A O no hydrogen 3.202 N/A CYS 303.A N GLU 299.A O no hydrogen 2.908 N/A ALA 304.A N ARG 300.A O no hydrogen 2.908 N/A ALA 305.A N LYS 301.A O no hydrogen 3.166 N/A GLN 306.A N THR 302.A O no hydrogen 2.959 N/A LEU 307.A N CYS 303.A O no hydrogen 3.200 N/A VAL 308.A N ALA 304.A O no hydrogen 3.368 N/A SER 309.A N ALA 305.A O no hydrogen 3.358 N/A SER 309.A OG ALA 305.A O no hydrogen 2.740 N/A SER 309.A OG GLN 306.A O no hydrogen 3.135 N/A TYR 310.A OH HIS 219.A NE2 no hydrogen 3.221 N/A TYR 310.A OH ASN 288.A OD1 no hydrogen 2.736 N/A LYS 313.A NZ TYR 310.A O no hydrogen 3.048 N/A LYS 315.A NZ ARG 218.A O no hydrogen 2.795 N/A ASN 319.A ND2 GLN 354.A OE1 no hydrogen 2.714 N/A TYR 320.A OH GLN 364.A OE1 no hydrogen 2.994 N/A ILE 322.A N LEU 318.A O no hydrogen 2.798 N/A VAL 323.A N ASN 319.A O no hydrogen 3.263 N/A GLU 324.A N TYR 320.A O no hydrogen 3.285 N/A VAL 325.A N HIS 321.A O no hydrogen 2.852 N/A ILE 326.A N ILE 322.A O no hydrogen 3.021 N/A PHE 327.A N VAL 323.A O no hydrogen 3.135 N/A ALA 328.A N GLU 324.A O no hydrogen 2.770 N/A GLU 329.A N VAL 325.A O no hydrogen 2.839 N/A LEU 330.A N ILE 326.A O no hydrogen 2.895 N/A PHE 331.A N PHE 327.A O no hydrogen 2.907 N/A HIS 338.A N TYR 343.A OH no hydrogen 3.350 N/A MET 342.A N ILE 339.A O no hydrogen 3.135 N/A THR 344.A OG1 VAL 341.A O no hydrogen 2.702 N/A THR 345.A N VAL 341.A O no hydrogen 3.438 N/A LEU 346.A N MET 342.A O no hydrogen 2.905 N/A LEU 347.A N TYR 343.A O no hydrogen 3.219 N/A GLU 349.A N THR 345.A O no hydrogen 3.172 N/A LEU 350.A N LEU 346.A O no hydrogen 2.938 N/A CYS 351.A N LEU 347.A O no hydrogen 2.642 N/A LYS 352.A N ILE 348.A O no hydrogen 3.099 N/A LEU 353.A N GLU 349.A O no hydrogen 2.884 N/A LEU 353.A N LEU 350.A O no hydrogen 3.096 N/A GLN 354.A N LEU 350.A O no hydrogen 3.059 N/A SER 357.A OG ASN 319.A OD1 no hydrogen 2.762 N/A LEU 358.A N GLN 354.A O no hydrogen 3.321 N/A GLN 360.A N SER 357.A O no hydrogen 2.979 N/A GLN 360.A N GLN 360.A OE1 no hydrogen 2.637 N/A VAL 361.A N SER 357.A O no hydrogen 3.326 N/A LEU 362.A N LEU 358.A O no hydrogen 2.952 N/A ALA 363.A N PRO 359.A O no hydrogen 2.944 N/A GLN 364.A N GLN 360.A O no hydrogen 2.874 N/A GLN 364.A NE2 ASP 267.A O no hydrogen 3.662 N/A ALA 365.A N VAL 361.A O no hydrogen 2.536 N/A THR 366.A N LEU 362.A O no hydrogen 2.903 N/A THR 366.A OG1 LEU 362.A O no hydrogen 3.167 N/A GLU 367.A N ALA 363.A O no hydrogen 3.184 N/A MET 368.A N GLN 364.A O no hydrogen 2.981 N/A LEU 369.A N ALA 365.A O no hydrogen 3.052 N/A TYR 370.A N THR 366.A O no hydrogen 2.986 N/A TYR 370.A OH ASP 406.A OD1 no hydrogen 3.107 N/A MET 371.A N GLU 367.A O no hydrogen 3.095 N/A ARG 372.A N LEU 369.A O no hydrogen 3.229 N/A ARG 372.A NH1 MET 368.A O no hydrogen 3.162 N/A LEU 373.A N TYR 370.A O no hydrogen 3.287 N/A ASN 377.A N VAL 187.A O no hydrogen 2.830 N/A ASN 377.A ND2 MET 184.A O no hydrogen 3.439 N/A THR 378.A N GLU 705.A OE1 no hydrogen 2.343 N/A THR 378.A OG1 GLU 705.A OE1 no hydrogen 2.496 N/A THR 379.A N ASN 377.A OD1 no hydrogen 3.425 N/A CYS 380.A N ASN 377.A O no hydrogen 3.003 N/A CYS 380.A SG PHE 331.A O no hydrogen 3.931 N/A VAL 381.A N ASN 377.A O no hydrogen 3.135 N/A ASP 382.A N THR 378.A O no hydrogen 3.110 N/A ARG 383.A NH1 LEU 330.A O no hydrogen 3.015 N/A ARG 383.A NH1 GLN 332.A O no hydrogen 2.917 N/A PHE 384.A N CYS 380.A O no hydrogen 2.868 N/A ILE 385.A N VAL 381.A O no hydrogen 2.548 N/A ASN 386.A N ASP 382.A O no hydrogen 2.902 N/A TRP 387.A N ARG 383.A O no hydrogen 3.053 N/A PHE 388.A N PHE 384.A O no hydrogen 2.971 N/A SER 389.A N ILE 385.A O no hydrogen 3.162 N/A SER 389.A OG ILE 385.A O no hydrogen 2.879 N/A SER 389.A OG ASN 386.A O no hydrogen 2.963 N/A HIS 390.A N ASN 386.A O no hydrogen 3.061 N/A HIS 391.A N TRP 387.A O no hydrogen 2.641 N/A LEU 392.A N PHE 388.A O no hydrogen 2.867 N/A SER 393.A N SER 389.A O no hydrogen 2.822 N/A SER 393.A N HIS 390.A O no hydrogen 2.985 N/A ASN 394.A N HIS 390.A O no hydrogen 3.369 N/A PHE 395.A N LEU 392.A O no hydrogen 3.239 N/A PHE 397.A N LEU 392.A O no hydrogen 2.992 N/A ARG 398.A N PHE 395.A O no hydrogen 3.344 N/A TRP 401.A N TRP 399.A O no hydrogen 2.932 N/A GLU 402.A N GLU 402.A OE1 no hydrogen 2.481 N/A ASP 403.A N SER 400.A O no hydrogen 3.163 N/A TRP 404.A N TRP 401.A O no hydrogen 2.992 N/A SER 405.A OG GLU 402.A O no hydrogen 2.286 N/A CYS 407.A SG TRP 404.A O no hydrogen 3.220 N/A SER 409.A OG ASP 406.A O no hydrogen 3.419 N/A SER 414.A N ASP 411.A O no hydrogen 2.924 N/A SER 414.A OG ASP 411.A O no hydrogen 3.362 N/A LYS 418.A N SER 414.A O no hydrogen 2.977 N/A LYS 418.A NZ THR 593.A O no hydrogen 2.909 N/A PHE 419.A N PRO 415.A O no hydrogen 2.710 N/A VAL 420.A N LYS 416.A O no hydrogen 3.124 N/A ARG 421.A N PRO 417.A O no hydrogen 2.906 N/A ARG 421.A NH2 PRO 412.A O no hydrogen 2.887 N/A GLU 422.A N LYS 418.A O no hydrogen 2.953 N/A VAL 423.A N PHE 419.A O no hydrogen 3.012 N/A LEU 424.A N VAL 420.A O no hydrogen 3.148 N/A GLU 425.A N ARG 421.A O no hydrogen 3.079 N/A LYS 426.A N GLU 422.A O no hydrogen 2.830 N/A CYS 427.A N VAL 423.A O no hydrogen 2.752 N/A CYS 427.A SG VAL 423.A O no hydrogen 3.198 N/A MET 428.A N LEU 424.A O no hydrogen 2.678 N/A ARG 429.A N GLU 425.A O no hydrogen 3.231 N/A ARG 429.A N LYS 426.A O no hydrogen 2.929 N/A LEU 430.A N CYS 427.A O no hydrogen 3.272 N/A SER 431.A N MET 428.A O no hydrogen 3.112 N/A GLN 434.A NE2 ASP 438.A OD2 no hydrogen 3.438 N/A ILE 436.A N TYR 432.A O no hydrogen 3.311 N/A LEU 437.A N HIS 433.A O no hydrogen 3.499 N/A ASP 438.A N GLN 434.A O no hydrogen 3.184 N/A ASP 438.A N ARG 435.A O no hydrogen 3.291 N/A VAL 440.A N ILE 436.A O no hydrogen 3.268 N/A PHE 444.A N PRO 441.A O no hydrogen 3.049 N/A SER 445.A N PRO 442.A O no hydrogen 3.013 N/A SER 445.A OG PRO 442.A O no hydrogen 3.073 N/A LEU 447.A N PHE 444.A O no hydrogen 2.811 N/A CYS 448.A N SER 445.A O no hydrogen 3.377 N/A CYS 448.A SG PHE 444.A O no hydrogen 3.526 N/A THR 453.A N ASN 451.A O no hydrogen 2.951 N/A ILE 455.A N VAL 553.A O no hydrogen 2.959 N/A LYS 457.A N GLN 509.A OE1 no hydrogen 3.328 N/A LYS 457.A NZ GLU 505.A OE2 no hydrogen 2.373 N/A GLU 461.A N GLU 461.A OE1 no hydrogen 2.598 N/A SER 463.A OG SER 465.A OG no hydrogen 2.725 N/A SER 465.A N SER 463.A OG no hydrogen 3.110 N/A SER 465.A OG SER 463.A OG no hydrogen 2.725 N/A HIS 469.A N LEU 466.A O no hydrogen 3.303 N/A ALA 472.A N GLY 468.A O no hydrogen 2.638 N/A LEU 473.A N HIS 469.A O no hydrogen 3.001 N/A CYS 474.A N SER 470.A O no hydrogen 3.428 N/A CYS 474.A SG SER 470.A O no hydrogen 3.232 N/A LEU 475.A N VAL 471.A O no hydrogen 3.125 N/A ALA 476.A N ALA 472.A O no hydrogen 3.273 N/A VAL 477.A N LEU 473.A O no hydrogen 3.415 N/A ALA 478.A N CYS 474.A O no hydrogen 3.145 N/A PHE 479.A N LEU 475.A O no hydrogen 2.932 N/A LYS 480.A N ALA 476.A O no hydrogen 3.074 N/A SER 481.A N VAL 477.A O no hydrogen 2.889 N/A SER 481.A N ALA 478.A O no hydrogen 3.196 N/A SER 481.A OG VAL 477.A O no hydrogen 2.926 N/A SER 481.A OG ALA 478.A O no hydrogen 2.732 N/A LYS 482.A N PHE 479.A O no hydrogen 3.047 N/A ALA 483.A N ALA 478.A O no hydrogen 3.005 N/A THR 484.A OG1 ASP 486.A OD1 no hydrogen 2.224 N/A THR 484.A OG1 GLU 487.A OE1 no hydrogen 2.448 N/A GLU 487.A N ASP 486.A OD1 no hydrogen 2.561 N/A ILE 488.A N THR 484.A O no hydrogen 3.317 N/A PHE 489.A N ASN 485.A O no hydrogen 3.364 N/A SER 490.A OG GLU 487.A O no hydrogen 2.329 N/A ILE 491.A N GLU 487.A O no hydrogen 3.444 N/A LEU 492.A N ILE 488.A O no hydrogen 3.124 N/A LYS 493.A N PHE 489.A O no hydrogen 2.917 N/A LYS 493.A N SER 490.A O no hydrogen 3.164 N/A ASP 494.A N ILE 491.A O no hydrogen 3.266 N/A VAL 495.A N LEU 492.A O no hydrogen 3.142 N/A ASN 500.A ND2 PRO 496.A O no hydrogen 3.028 N/A LEU 502.A N ASN 500.A OD1 no hydrogen 2.957 N/A GLU 505.A N PRO 501.A O no hydrogen 3.246 N/A VAL 506.A N LEU 502.A O no hydrogen 3.145 N/A PHE 507.A N LYS 503.A O no hydrogen 3.100 N/A VAL 508.A N ILE 504.A O no hydrogen 2.923 N/A GLN 509.A N GLU 505.A O no hydrogen 3.018 N/A THR 510.A N VAL 506.A O no hydrogen 3.291 N/A THR 510.A OG1 VAL 506.A O no hydrogen 2.846 N/A THR 510.A OG1 PHE 507.A O no hydrogen 3.006 N/A LEU 511.A N PHE 507.A O no hydrogen 3.062 N/A LEU 512.A N VAL 508.A O no hydrogen 2.937 N/A HIS 513.A N GLN 509.A O no hydrogen 3.121 N/A LEU 514.A N THR 510.A O no hydrogen 3.000 N/A ALA 515.A N LEU 511.A O no hydrogen 3.209 N/A SER 522.A N SER 518.A O no hydrogen 3.175 N/A SER 522.A OG ALA 515.A O no hydrogen 2.580 N/A SER 522.A OG SER 518.A O no hydrogen 3.174 N/A PHE 523.A N PHE 519.A O no hydrogen 2.715 N/A SER 524.A N SER 520.A O no hydrogen 2.922 N/A SER 524.A OG SER 520.A O no hydrogen 3.194 N/A SER 524.A OG HIS 521.A O no hydrogen 2.490 N/A ALA 525.A N HIS 521.A O no hydrogen 2.952 N/A LEU 526.A N SER 522.A O no hydrogen 3.192 N/A ALA 527.A N PHE 523.A O no hydrogen 3.080 N/A LYS 528.A N SER 524.A O no hydrogen 2.619 N/A PHE 529.A N ALA 525.A O no hydrogen 2.980 N/A VAL 532.A N PHE 529.A O no hydrogen 3.265 N/A LYS 534.A N HIS 530.A O no hydrogen 3.323 N/A THR 535.A N GLU 531.A O no hydrogen 2.992 N/A THR 535.A OG1 GLU 531.A O no hydrogen 3.048 N/A LEU 536.A N VAL 532.A O no hydrogen 2.968 N/A ALA 537.A N PHE 533.A O no hydrogen 2.807 N/A SER 539.A OG GLU 541.A OE2 no hydrogen 2.897 N/A GLY 542.A N SER 539.A OG no hydrogen 2.865 N/A LYS 543.A N SER 539.A O no hydrogen 2.842 N/A LEU 544.A N ASP 540.A O no hydrogen 2.939 N/A HIS 545.A N GLU 541.A O no hydrogen 2.916 N/A VAL 546.A N GLY 542.A O no hydrogen 3.242 N/A VAL 546.A N LYS 543.A O no hydrogen 3.208 N/A LEU 547.A N LEU 544.A O no hydrogen 3.058 N/A ARG 548.A N LEU 544.A O no hydrogen 3.402 N/A VAL 549.A N HIS 545.A O no hydrogen 3.376 N/A MET 550.A N VAL 546.A O no hydrogen 3.077 N/A PHE 551.A N LEU 547.A O no hydrogen 2.771 N/A GLU 552.A N ARG 548.A O no hydrogen 3.233 N/A VAL 553.A N VAL 549.A O no hydrogen 3.312 N/A VAL 553.A N MET 550.A O no hydrogen 3.256 N/A TRP 554.A N MET 550.A O no hydrogen 3.414 N/A HIS 557.A N TRP 554.A O no hydrogen 3.275 N/A MET 560.A N HIS 557.A O no hydrogen 3.027 N/A ILE 561.A N HIS 557.A O no hydrogen 3.485 N/A ALA 562.A N PRO 558.A O no hydrogen 2.928 N/A ALA 562.A N GLN 559.A O no hydrogen 3.081 N/A VAL 563.A N GLN 559.A O no hydrogen 3.428 N/A LEU 564.A N MET 560.A O no hydrogen 3.091 N/A LYS 567.A N VAL 563.A O no hydrogen 3.047 N/A MET 568.A N LEU 564.A O no hydrogen 3.244 N/A ILE 569.A N VAL 565.A O no hydrogen 3.112 N/A ARG 570.A N ASP 566.A O no hydrogen 3.363 N/A THR 571.A N LYS 567.A O no hydrogen 3.163 N/A THR 571.A N MET 568.A O no hydrogen 3.285 N/A THR 571.A OG1 LYS 567.A O no hydrogen 2.740 N/A THR 571.A OG1 MET 568.A O no hydrogen 2.887 N/A GLN 572.A N ILE 569.A O no hydrogen 2.956 N/A ILE 573.A N MET 568.A O no hydrogen 2.953 N/A CYS 576.A SG GLU 665.A OE1 no hydrogen 3.246 N/A CYS 576.A SG GLU 665.A OE2 no hydrogen 3.725 N/A ALA 578.A N ASP 575.A OD1 no hydrogen 3.195 N/A VAL 579.A N ASP 575.A O no hydrogen 3.451 N/A ALA 580.A N CYS 576.A O no hydrogen 3.094 N/A ASN 581.A N ALA 577.A O no hydrogen 3.176 N/A TRP 582.A N ALA 578.A O no hydrogen 2.957 N/A ILE 583.A N VAL 579.A O no hydrogen 3.072 N/A ILE 583.A N ALA 580.A O no hydrogen 3.289 N/A SER 585.A N TRP 582.A O no hydrogen 3.258 N/A SER 585.A OG TRP 582.A O no hydrogen 2.529 N/A SER 585.A OG GLU 587.A OE1 no hydrogen 3.276 N/A SER 586.A OG GLU 587.A OE1 no hydrogen 3.541 N/A GLU 587.A N GLU 587.A OE1 no hydrogen 2.508 N/A LEU 588.A N SER 585.A O no hydrogen 3.105 N/A SER 589.A N SER 586.A O no hydrogen 3.269 N/A SER 589.A OG SER 586.A O no hydrogen 2.606 N/A PHE 592.A N SER 589.A O no hydrogen 3.297 N/A THR 593.A OG1 GLU 413.A OE1 no hydrogen 3.565 N/A ARG 594.A N ASP 591.A O no hydrogen 3.017 N/A ARG 594.A NH2 GLU 425.A OE2 no hydrogen 2.778 N/A LEU 595.A N GLU 422.A OE2 no hydrogen 3.162 N/A TRP 598.A N LEU 595.A O no hydrogen 3.266 N/A GLU 599.A N LEU 595.A O no hydrogen 3.457 N/A ILE 600.A N PHE 596.A O no hydrogen 3.236 N/A LEU 601.A N VAL 597.A O no hydrogen 3.155 N/A HIS 602.A N TRP 598.A O no hydrogen 3.086 N/A HIS 602.A NE2 GLN 709.A OE1 no hydrogen 2.607 N/A SER 603.A N GLU 599.A O no hydrogen 3.106 N/A THR 604.A N ILE 600.A O no hydrogen 2.967 N/A THR 604.A OG1 ILE 600.A O no hydrogen 3.206 N/A THR 604.A OG1 LEU 601.A O no hydrogen 2.380 N/A ILE 605.A N LEU 601.A O no hydrogen 2.975 N/A ARG 606.A N HIS 602.A O no hydrogen 2.807 N/A LYS 607.A N SER 603.A O no hydrogen 3.070 N/A LYS 607.A NZ ASP 566.A OD1 no hydrogen 3.018 N/A LYS 607.A NZ SER 603.A O no hydrogen 2.773 N/A MET 608.A N THR 604.A O no hydrogen 3.212 N/A ASN 609.A N ILE 605.A O no hydrogen 2.873 N/A LYS 610.A N ARG 606.A O no hydrogen 2.684 N/A HIS 611.A N LYS 607.A O no hydrogen 2.883 N/A VAL 612.A N MET 608.A O no hydrogen 3.065 N/A LEU 613.A N ASN 609.A O no hydrogen 3.216 N/A LYS 614.A N LYS 610.A O no hydrogen 3.148 N/A ILE 615.A N HIS 611.A O no hydrogen 3.173 N/A GLN 616.A N VAL 612.A O no hydrogen 2.979 N/A LYS 617.A N LEU 613.A O no hydrogen 2.758 N/A GLU 618.A N LYS 614.A O no hydrogen 2.867 N/A LEU 619.A N ILE 615.A O no hydrogen 2.992 N/A GLU 620.A N GLN 616.A O no hydrogen 3.019 N/A GLU 621.A N LYS 617.A O no hydrogen 3.160 N/A ALA 622.A N GLU 618.A O no hydrogen 3.174 N/A LYS 623.A N LEU 619.A O no hydrogen 2.802 N/A GLU 624.A N GLU 620.A O no hydrogen 2.843 N/A LYS 625.A N GLU 621.A O no hydrogen 3.049 N/A LEU 626.A N ALA 622.A O no hydrogen 3.448 N/A ALA 627.A N LYS 623.A O no hydrogen 3.320 N/A ARG 628.A N GLU 624.A O no hydrogen 2.681 N/A GLN 629.A N LYS 625.A O no hydrogen 2.841 N/A HIS 630.A N LEU 626.A O no hydrogen 2.898 N/A LYS 631.A N ALA 627.A O no hydrogen 3.051 N/A ARG 632.A N ARG 628.A O no hydrogen 3.093 N/A ARG 633.A N GLN 629.A O no hydrogen 2.601 N/A ARG 633.A NH1 ASP 645.A OD2 no hydrogen 2.352 N/A SER 634.A N HIS 630.A O no hydrogen 2.921 N/A ASP 635.A N LYS 631.A O no hydrogen 3.052 N/A ASP 636.A N ARG 632.A O no hydrogen 2.548 N/A SER 640.A N ASP 638.A OD1 no hydrogen 3.120 N/A SER 640.A OG ASP 638.A OD1 no hydrogen 2.916 N/A SER 640.A OG ASP 638.A OD2 no hydrogen 2.680 N/A SER 641.A OG ASP 638.A O no hydrogen 3.002 N/A ASP 645.A N SER 641.A O no hydrogen 2.772 N/A GLY 646.A N ASP 642.A O no hydrogen 3.017 N/A VAL 647.A N ARG 643.A O no hydrogen 3.008 N/A LEU 648.A N LYS 644.A O no hydrogen 3.385 N/A GLU 649.A N ASP 645.A O no hydrogen 2.796 N/A GLU 650.A N GLY 646.A O no hydrogen 3.162 N/A GLN 651.A N VAL 647.A O no hydrogen 3.155 N/A ILE 652.A N LEU 648.A O no hydrogen 2.737 N/A GLU 653.A N GLU 649.A O no hydrogen 3.454 N/A LEU 655.A N GLN 651.A O no hydrogen 3.187 N/A GLN 656.A N ILE 652.A O no hydrogen 2.717 N/A GLU 657.A N GLU 653.A O no hydrogen 2.984 N/A LYS 658.A N ARG 654.A O no hydrogen 2.981 N/A VAL 659.A N LEU 655.A O no hydrogen 2.797 N/A GLU 660.A N GLN 656.A O no hydrogen 3.127 N/A SER 661.A N GLU 657.A O no hydrogen 2.820 N/A ALA 662.A N LYS 658.A O no hydrogen 2.503 N/A GLN 663.A N VAL 659.A O no hydrogen 2.485 N/A SER 664.A N GLU 660.A O no hydrogen 2.867 N/A SER 664.A OG GLU 660.A O no hydrogen 2.867 N/A SER 664.A OG SER 661.A O no hydrogen 2.649 N/A GLU 665.A N SER 661.A O no hydrogen 3.038 N/A GLN 666.A N ALA 662.A O no hydrogen 2.823 N/A LYS 667.A N GLN 663.A O no hydrogen 2.658 N/A LYS 667.A NZ THR 724.A OG1 no hydrogen 2.998 N/A ASN 668.A N SER 664.A O no hydrogen 2.786 N/A LEU 669.A N GLU 665.A O no hydrogen 3.016 N/A PHE 670.A N GLN 666.A O no hydrogen 3.311 N/A LEU 671.A N LYS 667.A O no hydrogen 3.032 N/A VAL 672.A N ASN 668.A O no hydrogen 2.791 N/A ILE 673.A N LEU 669.A O no hydrogen 3.086 N/A PHE 674.A N PHE 670.A O no hydrogen 2.979 N/A GLN 675.A N LEU 671.A O no hydrogen 2.833 N/A ARG 676.A N VAL 672.A O no hydrogen 2.715 N/A PHE 677.A N ILE 673.A O no hydrogen 2.665 N/A ILE 678.A N PHE 674.A O no hydrogen 2.997 N/A LEU 681.A N PHE 677.A O no hydrogen 3.449 N/A THR 682.A N ILE 678.A O no hydrogen 2.826 N/A THR 682.A OG1 ILE 678.A O no hydrogen 2.855 N/A THR 682.A OG1 MET 679.A O no hydrogen 2.747 N/A GLU 683.A N MET 679.A O no hydrogen 3.001 N/A HIS 684.A N ILE 680.A O no hydrogen 3.108 N/A LEU 685.A N LEU 681.A O no hydrogen 2.902 N/A VAL 686.A N THR 682.A O no hydrogen 2.985 N/A ARG 687.A N GLU 683.A O no hydrogen 3.199 N/A CYS 688.A N HIS 684.A O no hydrogen 3.104 N/A CYS 688.A SG HIS 684.A O no hydrogen 3.168 N/A CYS 688.A SG THR 693.A OG1 no hydrogen 3.431 N/A GLU 689.A N LEU 685.A O no hydrogen 2.989 N/A THR 690.A N VAL 686.A O no hydrogen 2.697 N/A THR 690.A OG1 VAL 686.A O no hydrogen 2.848 N/A ASP 691.A N ARG 687.A O no hydrogen 2.822 N/A GLY 692.A N GLU 689.A O no hydrogen 3.313 N/A TYR 700.A N THR 697.A OG1 no hydrogen 3.128 N/A LYS 701.A N THR 697.A O no hydrogen 2.763 N/A LYS 701.A NZ MET 376.A O no hydrogen 3.379 N/A LYS 701.A NZ GLU 705.A OE2 no hydrogen 2.479 N/A ASN 702.A N PRO 698.A O no hydrogen 3.132 N/A ASN 702.A ND2 THR 593.A O no hydrogen 3.380 N/A CYS 703.A N TRP 699.A O no hydrogen 2.927 N/A ILE 704.A N TYR 700.A O no hydrogen 2.839 N/A GLU 705.A N LYS 701.A O no hydrogen 3.370 N/A ARG 706.A N ASN 702.A O no hydrogen 3.323 N/A ARG 706.A NH1 ASP 382.A OD2 no hydrogen 2.453 N/A ARG 706.A NH2 ASP 382.A OD1 no hydrogen 3.118 N/A ARG 706.A NH2 ASP 382.A OD2 no hydrogen 2.877 N/A LEU 707.A N CYS 703.A O no hydrogen 3.366 N/A GLN 708.A N ILE 704.A O no hydrogen 3.290 N/A GLN 709.A N GLU 705.A O no hydrogen 2.906 N/A ILE 710.A N ARG 706.A O no hydrogen 3.018 N/A PHE 711.A N LEU 707.A O no hydrogen 3.335 N/A LEU 712.A N GLN 708.A O no hydrogen 2.885 N/A GLN 713.A N GLN 709.A O no hydrogen 2.957 N/A HIS 715.A ND1 LEU 712.A O no hydrogen 3.014 N/A ILE 718.A N HIS 714.A O no hydrogen 2.987 N/A GLN 719.A N HIS 715.A O no hydrogen 2.930 N/A GLN 719.A NE2 GLN 749.A OE1 no hydrogen 2.942 N/A GLN 720.A N ILE 717.A O no hydrogen 3.099 N/A TYR 721.A N ILE 718.A O no hydrogen 2.889 N/A LEU 725.A N TYR 721.A O no hydrogen 2.991 N/A GLU 726.A N MET 722.A O no hydrogen 3.087 N/A ASN 727.A N VAL 723.A O no hydrogen 3.104 N/A LEU 728.A N THR 724.A O no hydrogen 3.032 N/A LEU 729.A N LEU 725.A O no hydrogen 3.080 N/A PHE 730.A N LEU 725.A O no hydrogen 2.772 N/A THR 731.A OG1 GLU 733.A OE1 no hydrogen 2.933 N/A GLU 733.A N GLU 733.A OE1 no hydrogen 2.666 N/A LEU 734.A N THR 731.A O no hydrogen 3.205 N/A HIS 737.A N ASP 735.A OD1 no hydrogen 2.640 N/A LEU 739.A N ASP 735.A O no hydrogen 2.901 N/A ALA 740.A N PRO 736.A O no hydrogen 2.744 N/A VAL 741.A N ILE 738.A O no hydrogen 3.148 N/A GLN 743.A N LEU 739.A O no hydrogen 2.724 N/A GLN 744.A N ALA 740.A O no hydrogen 3.036 N/A PHE 745.A N VAL 741.A O no hydrogen 3.147 N/A CYS 746.A N PHE 742.A O no hydrogen 3.106 N/A CYS 746.A SG PHE 742.A O no hydrogen 3.344 N/A CYS 746.A SG GLN 743.A O no hydrogen 3.106 N/A ALA 747.A N GLN 743.A O no hydrogen 3.448 N/A LEU 748.A N PHE 745.A O no hydrogen 3.064 N/A ALA 750.A N CYS 746.A O no hydrogen 3.116 N/A