Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bty_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N SER 5.A OG no hydrogen 2.922 N/A GLN 6.A NE2 GLN 274.A O no hydrogen 3.525 N/A PHE 8.A N GLN 6.A O no hydrogen 2.234 N/A ALA 9.A N GLN 6.A O no hydrogen 3.376 N/A SER 12.A N GLU 15.A OE1 no hydrogen 3.369 N/A ARG 13.A NH2 PRO 370.A O no hydrogen 2.684 N/A GLU 15.A N SER 12.A OG no hydrogen 3.102 N/A LEU 16.A N SER 12.A O no hydrogen 2.938 N/A THR 17.A N ARG 13.A O no hydrogen 2.704 N/A THR 17.A OG1 ARG 13.A O no hydrogen 2.610 N/A ALA 18.A N GLU 14.A O no hydrogen 2.748 N/A VAL 19.A N GLU 15.A O no hydrogen 3.214 N/A MET 20.A N LEU 16.A O no hydrogen 2.630 N/A ARG 21.A N THR 17.A O no hydrogen 2.796 N/A PHE 22.A N ALA 18.A O no hydrogen 2.805 N/A LEU 23.A N VAL 19.A O no hydrogen 2.965 N/A LEU 23.A N MET 20.A O no hydrogen 3.074 N/A THR 24.A N MET 20.A O no hydrogen 2.931 N/A THR 24.A OG1 MET 20.A O no hydrogen 3.035 N/A GLN 25.A N ARG 21.A O no hydrogen 3.321 N/A ARG 26.A N PHE 22.A O no hydrogen 3.448 N/A GLY 28.A N THR 24.A O no hydrogen 3.258 N/A VAL 32.A N ASN 42.A O no hydrogen 3.065 N/A ALA 35.A N ASP 33.A OD1 no hydrogen 2.608 N/A ALA 37.A N ALA 34.A O no hydrogen 2.988 N/A ARG 38.A N ASP 41.A OD2 no hydrogen 3.009 N/A ARG 38.A NH1 GLN 122.A OE1 no hydrogen 3.262 N/A ARG 38.A NH2 GLN 122.A OE1 no hydrogen 3.006 N/A ASP 41.A N ARG 38.A O no hydrogen 3.267 N/A CYS 43.A SG VAL 32.A O no hydrogen 3.989 N/A PHE 45.A N ILE 75.A O no hydrogen 2.747 N/A VAL 47.A N LEU 364.A O no hydrogen 3.291 N/A GLU 48.A N LEU 73.A O no hydrogen 3.025 N/A GLN 50.A N GLU 71.A O no hydrogen 3.240 N/A GLN 50.A NE2 LEU 51.A O no hydrogen 2.558 N/A LYS 54.A N GLU 586.A OE2 no hydrogen 2.536 N/A LYS 54.A NZ ASP 476.A OD1 no hydrogen 2.990 N/A LYS 54.A NZ ASP 476.A OD2 no hydrogen 2.722 N/A LYS 54.A NZ ASP 478.A OD1 no hydrogen 3.083 N/A LYS 54.A NZ ASP 478.A OD2 no hydrogen 3.144 N/A LYS 54.A NZ ASP 620.A OD1 no hydrogen 2.910 N/A LYS 54.A NZ ASP 620.A OD2 no hydrogen 2.782 N/A ALA 57.A N PRO 53.A O no hydrogen 3.258 N/A LEU 58.A N LYS 54.A O no hydrogen 2.875 N/A ALA 59.A N ALA 55.A O no hydrogen 3.052 N/A HIS 60.A N ALA 56.A O no hydrogen 2.943 N/A HIS 60.A ND1 SER 65.A O no hydrogen 2.642 N/A LEU 61.A N ALA 57.A O no hydrogen 2.853 N/A ASP 62.A N LEU 58.A O no hydrogen 2.636 N/A SER 65.A N ALA 59.A O no hydrogen 3.479 N/A ARG 70.A NE GLU 15.A OE1 no hydrogen 3.235 N/A ARG 70.A NH2 ALA 9.A O no hydrogen 2.598 N/A ALA 72.A N VAL 91.A O no hydrogen 3.075 N/A LEU 73.A N GLU 48.A O no hydrogen 2.897 N/A ALA 74.A N LEU 89.A O no hydrogen 2.689 N/A ILE 75.A N SER 46.A O no hydrogen 2.752 N/A VAL 76.A N SER 87.A O no hydrogen 2.744 N/A PHE 77.A N CYS 43.A O no hydrogen 2.807 N/A PHE 78.A N ASN 85.A O no hydrogen 2.812 N/A ARG 80.A N ASN 42.A OD1 no hydrogen 2.838 N/A ARG 80.A NH1 ASP 41.A OD1 no hydrogen 3.165 N/A ARG 80.A NH2 GLY 30.A O no hydrogen 2.885 N/A ARG 80.A NH2 ASP 41.A OD1 no hydrogen 3.409 N/A GLN 81.A N GLY 79.A O no hydrogen 2.785 N/A GLN 81.A NE2 GLN 83.A O no hydrogen 2.845 N/A ASN 85.A N PHE 78.A O no hydrogen 3.290 N/A VAL 86.A N LEU 112.A O no hydrogen 3.176 N/A SER 87.A N VAL 76.A O no hydrogen 2.786 N/A SER 87.A OG ASN 85.A OD1 no hydrogen 2.959 N/A SER 87.A OG VAL 86.A O no hydrogen 2.919 N/A GLU 88.A N THR 104.A OG1 no hydrogen 2.575 N/A LEU 89.A N ALA 74.A O no hydrogen 2.777 N/A VAL 90.A N ARG 101.A O no hydrogen 2.726 N/A VAL 91.A N ALA 72.A O no hydrogen 2.966 N/A GLY 92.A N TYR 99.A O no hydrogen 3.107 N/A LEU 94.A N ARG 70.A O no hydrogen 3.217 N/A SER 98.A N GLY 92.A O no hydrogen 2.990 N/A TYR 99.A N GLY 92.A O no hydrogen 2.901 N/A TYR 99.A OH GLU 71.A OE2 no hydrogen 2.813 N/A ARG 101.A N VAL 90.A O no hydrogen 2.758 N/A VAL 103.A N GLU 88.A O no hydrogen 3.112 N/A THR 104.A OG1 GLU 88.A O no hydrogen 3.266 N/A THR 104.A OG1 ASP 102.A OD2 no hydrogen 3.119 N/A ARG 107.A N VAL 103.A O no hydrogen 2.741 N/A ARG 107.A NH2 GLN 50.A OE1 no hydrogen 2.668 N/A HIS 108.A N THR 104.A O no hydrogen 3.064 N/A HIS 108.A NE2 GLU 88.A OE1 no hydrogen 2.615 N/A GLY 109.A N VAL 105.A O no hydrogen 2.889 N/A TYR 114.A OH PRO 39.A O no hydrogen 2.733 N/A ARG 116.A N PRO 113.A O no hydrogen 3.134 N/A ARG 116.A NH1 THR 604.A OG1 no hydrogen 2.836 N/A ARG 117.A N TYR 114.A O no hydrogen 3.062 N/A ARG 117.A NH1 TYR 114.A O no hydrogen 3.387 N/A PHE 121.A N GLU 366.A OE1 no hydrogen 2.623 N/A TYR 124.A N LEU 120.A O no hydrogen 3.106 N/A LEU 125.A N PHE 121.A O no hydrogen 3.197 N/A LEU 125.A N GLN 122.A O no hydrogen 2.952 N/A ASP 126.A N GLN 122.A O no hydrogen 3.025 N/A ILE 127.A N GLU 123.A O no hydrogen 2.762 N/A ASP 128.A N TYR 124.A O no hydrogen 2.821 N/A GLN 129.A N LEU 125.A O no hydrogen 2.691 N/A MET 130.A N ASP 126.A O no hydrogen 2.905 N/A ILE 131.A N ILE 127.A O no hydrogen 3.052 N/A PHE 132.A N ASP 128.A O no hydrogen 2.761 N/A ASN 133.A N GLN 129.A O no hydrogen 2.775 N/A ARG 134.A N MET 130.A O no hydrogen 2.911 N/A ARG 134.A N ILE 131.A O no hydrogen 3.357 N/A ARG 134.A NH1 GLN 129.A OE1 no hydrogen 3.220 N/A GLN 138.A N GLU 135.A O no hydrogen 2.603 N/A GLN 138.A NE2 ARG 134.A O no hydrogen 2.766 N/A ALA 139.A N LEU 136.A O no hydrogen 2.896 N/A SER 140.A N PRO 137.A O no hydrogen 3.142 N/A SER 140.A OG PRO 137.A O no hydrogen 2.346 N/A GLY 141.A N GLU 226.A OE2 no hydrogen 2.713 N/A LEU 142.A N GLU 226.A OE1 no hydrogen 2.970 N/A LEU 143.A N ALA 139.A O no hydrogen 3.123 N/A HIS 144.A N SER 140.A O no hydrogen 2.581 N/A HIS 145.A N GLY 141.A O no hydrogen 3.011 N/A CYS 146.A N LEU 142.A O no hydrogen 2.834 N/A CYS 146.A SG LEU 142.A O no hydrogen 3.476 N/A CYS 146.A SG LEU 143.A O no hydrogen 4.032 N/A CYS 146.A SG TYR 214.A OH no hydrogen 3.422 N/A CYS 147.A N LEU 143.A O no hydrogen 2.985 N/A TYR 149.A N LEU 143.A O no hydrogen 3.226 N/A TYR 149.A OH ARG 152.A O no hydrogen 3.415 N/A ASN 155.A ND2 CYS 147.A O no hydrogen 3.591 N/A LEU 156.A N GLY 153.A O no hydrogen 2.876 N/A THR 158.A OG1 ASP 128.A OD1 no hydrogen 2.574 N/A THR 160.A OG1 THR 161.A O no hydrogen 2.842 N/A THR 161.A N TRP 174.A O no hydrogen 3.053 N/A THR 161.A OG1 ALA 326.A O no hydrogen 3.472 N/A THR 161.A OG1 THR 330.A OG1 no hydrogen 3.219 N/A ARG 164.A NE THR 173.A OG1 no hydrogen 2.800 N/A ARG 164.A NH1 ASN 598.A OD1 no hydrogen 3.108 N/A ARG 164.A NH2 TYR 124.A OH no hydrogen 3.187 N/A ARG 164.A NH2 THR 160.A OG1 no hydrogen 2.491 N/A LEU 166.A N ASP 170.A OD2 no hydrogen 3.262 N/A SER 168.A OG ASP 599.A OD1 no hydrogen 2.623 N/A SER 168.A OG ASP 599.A OD2 no hydrogen 2.545 N/A ASP 170.A N GLN 167.A O no hydrogen 3.329 N/A ARG 171.A NE GLU 123.A OE2 no hydrogen 3.174 N/A ARG 171.A NH1 HIS 115.A O no hydrogen 2.914 N/A ARG 171.A NH1 ARG 117.A O no hydrogen 2.484 N/A ARG 171.A NH2 ARG 117.A O no hydrogen 3.413 N/A ARG 171.A NH2 PRO 118.A O no hydrogen 3.355 N/A ARG 171.A NH2 GLU 123.A OE1 no hydrogen 3.237 N/A ARG 171.A NH2 GLU 123.A OE2 no hydrogen 2.691 N/A THR 173.A OG1 HIS 199.A NE2 no hydrogen 2.655 N/A PHE 175.A N LEU 195.A O no hydrogen 2.878 N/A GLY 176.A N MET 159.A O no hydrogen 3.318 N/A TYR 178.A N VAL 157.A O no hydrogen 2.850 N/A TYR 179.A N HIS 189.A O no hydrogen 3.186 N/A ASN 180.A N ASN 155.A O no hydrogen 2.727 N/A GLY 185.A N TYR 441.A OH no hydrogen 3.151 N/A HIS 189.A N PHE 186.A O no hydrogen 3.108 N/A HIS 190.A NE2 GLU 194.A OE2 no hydrogen 2.730 N/A VAL 191.A N LEU 177.A O no hydrogen 3.138 N/A GLY 192.A N HIS 190.A ND1 no hydrogen 2.941 N/A GLU 194.A N PHE 213.A O no hydrogen 3.117 N/A LEU 195.A N PHE 175.A O no hydrogen 2.927 N/A LEU 196.A N LYS 211.A O no hydrogen 3.171 N/A VAL 197.A N THR 173.A O no hydrogen 2.856 N/A ASN 198.A N THR 208.A O no hydrogen 2.963 N/A HIS 199.A N ARG 171.A O no hydrogen 3.108 N/A HIS 199.A NE2 THR 173.A OG1 no hydrogen 2.655 N/A LYS 200.A NZ GLY 169.A O no hydrogen 2.548 N/A ALA 205.A N ASP 203.A OD1 no hydrogen 3.356 N/A TRP 207.A N PRO 204.A O no hydrogen 2.926 N/A TRP 207.A NE1 ALA 201.A O no hydrogen 2.773 N/A THR 208.A N ASN 198.A O no hydrogen 3.380 N/A GLN 210.A N LEU 196.A O no hydrogen 2.824 N/A LYS 211.A NZ ASP 220.A OD1 no hydrogen 3.206 N/A VAL 212.A N TYR 219.A O no hydrogen 2.965 N/A PHE 213.A N GLU 194.A O no hydrogen 3.150 N/A TYR 214.A N ARG 217.A O no hydrogen 2.643 N/A GLN 215.A N GLY 192.A O no hydrogen 2.731 N/A GLN 215.A NE2 VAL 237.A O no hydrogen 2.974 N/A ARG 217.A N TYR 214.A O no hydrogen 2.670 N/A ARG 217.A NH2 GLN 228.A OE1 no hydrogen 3.340 N/A TYR 219.A N VAL 212.A O no hydrogen 3.346 N/A ASP 220.A N GLN 224.A OE1 no hydrogen 2.867 N/A GLN 224.A N SER 221.A OG no hydrogen 3.158 N/A LEU 225.A N LEU 222.A O no hydrogen 3.114 N/A GLU 226.A N LEU 222.A O no hydrogen 3.165 N/A ALA 227.A N ALA 223.A O no hydrogen 2.773 N/A PHE 229.A N LEU 225.A O no hydrogen 2.809 N/A GLU 230.A N GLU 226.A O no hydrogen 2.832 N/A LEU 233.A N GLN 228.A O no hydrogen 3.400 N/A VAL 237.A N GLN 215.A OE1 no hydrogen 3.055 N/A ASP 241.A N ASN 242.A O no hydrogen 3.268 N/A TRP 248.A N GLY 245.A O no hydrogen 2.743 N/A SER 249.A N GLY 245.A O no hydrogen 2.998 N/A SER 249.A OG LYS 251.A O no hydrogen 3.427 N/A LYS 251.A N SER 249.A OG no hydrogen 2.795 N/A SER 252.A OG VAL 254.A O no hydrogen 3.292 N/A VAL 254.A N SER 252.A OG no hydrogen 3.300 N/A GLN 263.A NE2 GLN 382.A OE1 no hydrogen 3.084 N/A TYR 265.A OH GLU 381.A O no hydrogen 3.377 N/A ARG 270.A NE GLU 381.A OE1 no hydrogen 3.350 N/A ARG 270.A NE GLU 381.A OE2 no hydrogen 3.044 N/A ARG 270.A NH1 ASP 668.A OD1 no hydrogen 3.469 N/A ARG 270.A NH1 ASP 668.A OD2 no hydrogen 3.178 N/A ARG 270.A NH2 GLU 381.A OE2 no hydrogen 2.666 N/A ARG 270.A NH2 ASP 668.A OD2 no hydrogen 3.178 N/A SER 272.A N ALA 279.A O no hydrogen 2.852 N/A GLN 274.A N ARG 277.A O no hydrogen 2.816 N/A SER 276.A OG SER 286.A OG no hydrogen 2.964 N/A ARG 277.A N GLN 274.A O no hydrogen 3.512 N/A ARG 277.A NH2 ASP 299.A O no hydrogen 3.372 N/A VAL 278.A N PHE 285.A O no hydrogen 2.668 N/A ALA 279.A N SER 272.A O no hydrogen 2.906 N/A SER 280.A N TRP 283.A O no hydrogen 2.896 N/A SER 280.A OG TRP 283.A O no hydrogen 2.734 N/A LEU 282.A N SER 280.A OG no hydrogen 3.221 N/A TRP 283.A N SER 280.A OG no hydrogen 2.696 N/A THR 284.A N ARG 301.A O no hydrogen 2.962 N/A PHE 285.A N VAL 278.A O no hydrogen 2.825 N/A SER 286.A N PHE 298.A O no hydrogen 3.014 N/A SER 286.A OG SER 276.A O no hydrogen 3.406 N/A SER 286.A OG SER 276.A OG no hydrogen 2.964 N/A PHE 287.A N SER 276.A O no hydrogen 2.841 N/A LEU 289.A N ASP 10.A OD1 no hydrogen 3.227 N/A GLY 290.A N GLY 294.A O no hydrogen 3.418 N/A ALA 291.A N GLU 48.A OE1 no hydrogen 3.070 N/A SER 293.A OG GLY 294.A O no hydrogen 3.302 N/A SER 293.A OG LEU 313.A O no hydrogen 3.444 N/A GLY 294.A N GLY 290.A O no hydrogen 3.144 N/A ARG 296.A N GLY 288.A O no hydrogen 3.297 N/A ILE 297.A N ILE 311.A O no hydrogen 2.770 N/A PHE 298.A N SER 286.A O no hydrogen 2.758 N/A ASP 299.A N TYR 309.A O no hydrogen 2.769 N/A VAL 300.A N VAL 308.A O no hydrogen 3.041 N/A ARG 301.A N THR 284.A O no hydrogen 2.932 N/A ARG 301.A NE ASP 299.A OD1 no hydrogen 2.766 N/A ARG 301.A NH2 ASP 299.A OD1 no hydrogen 3.163 N/A GLN 303.A N LEU 282.A O no hydrogen 2.687 N/A GLU 305.A N PHE 302.A O no hydrogen 2.869 N/A ARG 306.A NE ASP 299.A OD1 no hydrogen 2.677 N/A ARG 306.A NH1 ASP 62.A OD2 no hydrogen 3.392 N/A ARG 306.A NH2 ASP 62.A OD1 no hydrogen 2.960 N/A ARG 306.A NH2 ASP 62.A OD2 no hydrogen 3.260 N/A ARG 306.A NH2 ASP 299.A OD1 no hydrogen 3.560 N/A LEU 307.A N VAL 300.A O no hydrogen 3.050 N/A TYR 309.A N ASP 476.A O no hydrogen 3.071 N/A ILE 311.A N ILE 297.A O no hydrogen 2.919 N/A SER 312.A N LYS 474.A O no hydrogen 3.005 N/A SER 312.A OG GLU 310.A OE2 no hydrogen 2.785 N/A LEU 313.A N PRO 295.A O no hydrogen 3.087 N/A GLN 314.A N HIS 472.A O no hydrogen 2.886 N/A GLN 314.A NE2 SER 312.A O no hydrogen 3.386 N/A GLN 314.A NE2 SER 312.A OG no hydrogen 3.405 N/A LEU 317.A N SER 470.A O no hydrogen 3.255 N/A ALA 318.A N TYR 332.A O no hydrogen 3.101 N/A ILE 319.A N THR 468.A O no hydrogen 3.251 N/A TYR 320.A N THR 330.A O no hydrogen 3.080 N/A GLY 321.A N VAL 466.A O no hydrogen 3.141 N/A ASN 323.A ND2 PHE 448.A O no hydrogen 3.301 N/A ALA 326.A N GLU 194.A OE1 no hydrogen 2.705 N/A MET 328.A N SER 324.A O no hydrogen 3.115 N/A THR 329.A N PRO 325.A O no hydrogen 3.337 N/A THR 330.A N ALA 327.A O no hydrogen 3.236 N/A THR 330.A OG1 THR 161.A OG1 no hydrogen 3.219 N/A THR 330.A OG1 ALA 326.A O no hydrogen 3.115 N/A ARG 331.A NH1 THR 330.A O no hydrogen 3.559 N/A TYR 332.A N ALA 318.A O no hydrogen 2.817 N/A TYR 332.A OH THR 160.A O no hydrogen 2.644 N/A ASP 334.A N ALA 316.A O no hydrogen 3.053 N/A GLY 335.A N GLU 315.A OE2 no hydrogen 2.665 N/A GLY 336.A N VAL 333.A O no hydrogen 2.948 N/A PHE 337.A N ASP 334.A O no hydrogen 3.212 N/A GLY 338.A N ASP 334.A O no hydrogen 2.868 N/A MET 339.A N PHE 292.A O no hydrogen 3.123 N/A GLY 340.A N ALA 291.A O no hydrogen 2.843 N/A LYS 341.A N ALA 291.A O no hydrogen 2.827 N/A LYS 341.A NZ GLU 366.A OE2 no hydrogen 3.044 N/A TYR 342.A N GLY 338.A O no hydrogen 3.046 N/A THR 343.A N GLY 340.A O no hydrogen 2.563 N/A THR 343.A OG1 MET 339.A O no hydrogen 2.901 N/A THR 343.A OG1 GLY 340.A O no hydrogen 2.505 N/A THR 344.A N MET 413.A O no hydrogen 3.082 N/A THR 344.A OG1 THR 415.A OG1 no hydrogen 3.388 N/A LEU 346.A N ASP 375.A O no hydrogen 3.041 N/A THR 347.A N ASP 351.A OD2 no hydrogen 2.990 N/A GLY 349.A N TYR 358.A OH no hydrogen 3.378 N/A VAL 350.A N THR 347.A O no hydrogen 2.922 N/A ASP 351.A N THR 347.A O no hydrogen 2.979 N/A TYR 354.A OH PRO 700.A O no hydrogen 2.622 N/A ALA 356.A N PRO 353.A O no hydrogen 3.243 N/A THR 357.A N VAL 379.A O no hydrogen 2.997 N/A TYR 358.A OH CYS 352.A O no hydrogen 3.304 N/A TYR 358.A OH PRO 353.A O no hydrogen 2.393 N/A VAL 359.A N PHE 377.A O no hydrogen 2.969 N/A TRP 361.A N ILE 373.A O no hydrogen 3.068 N/A HIS 362.A ND1 THR 372.A OG1 no hydrogen 2.441 N/A PHE 363.A N LYS 371.A O no hydrogen 2.887 N/A GLU 366.A N PHE 45.A O no hydrogen 2.730 N/A SER 367.A OG ALA 369.A O no hydrogen 2.743 N/A LYS 371.A N PHE 363.A O no hydrogen 2.849 N/A THR 372.A OG1 HIS 362.A ND1 no hydrogen 2.441 N/A ILE 373.A N TRP 361.A O no hydrogen 2.779 N/A ASP 375.A N ASP 360.A OD1 no hydrogen 3.162 N/A PHE 377.A N VAL 359.A O no hydrogen 3.361 N/A CYS 378.A N ARG 411.A O no hydrogen 3.316 N/A VAL 379.A N THR 357.A O no hydrogen 3.072 N/A PHE 380.A N VAL 409.A O no hydrogen 2.967 N/A GLN 382.A N VAL 407.A O no hydrogen 2.884 N/A GLN 382.A NE2 ASN 383.A O no hydrogen 3.626 N/A ASN 383.A N GLN 263.A OE1 no hydrogen 3.011 N/A GLN 384.A N GLU 405.A O no hydrogen 3.112 N/A GLY 385.A N ASN 383.A OD1 no hydrogen 2.734 N/A LEU 388.A N LEU 403.A O no hydrogen 2.858 N/A ARG 389.A NE SER 663.A OG no hydrogen 2.955 N/A ARG 389.A NH2 SER 663.A O no hydrogen 3.044 N/A HIS 391.A N GLY 401.A O no hydrogen 2.882 N/A SER 393.A N TYR 399.A O no hydrogen 2.934 N/A SER 393.A OG LEU 395.A O no hydrogen 3.281 N/A SER 393.A OG SER 397.A O no hydrogen 2.956 N/A SER 397.A N LEU 395.A O no hydrogen 2.590 N/A TYR 399.A N SER 393.A O no hydrogen 3.182 N/A PHE 400.A N PHE 672.A O no hydrogen 2.882 N/A GLY 401.A N HIS 391.A O no hydrogen 3.070 N/A GLY 402.A N ILE 670.A O no hydrogen 2.839 N/A LEU 403.A N ARG 389.A O no hydrogen 2.899 N/A VAL 407.A N GLN 382.A O no hydrogen 2.797 N/A LEU 408.A N PHE 426.A O no hydrogen 3.422 N/A VAL 409.A N PHE 380.A O no hydrogen 2.813 N/A VAL 410.A N THR 424.A O no hydrogen 3.157 N/A ARG 411.A N CYS 378.A O no hydrogen 2.908 N/A ARG 411.A NE ASP 423.A OD1 no hydrogen 2.624 N/A ARG 411.A NH1 ASP 351.A O no hydrogen 3.102 N/A ARG 411.A NH2 ASP 423.A OD2 no hydrogen 3.088 N/A SER 412.A N TRP 422.A O no hydrogen 3.174 N/A SER 414.A N TYR 420.A O no hydrogen 2.929 N/A SER 414.A OG MET 339.A O no hydrogen 2.553 N/A THR 415.A OG1 THR 344.A OG1 no hydrogen 3.388 N/A THR 415.A OG1 ASP 419.A OD2 no hydrogen 2.820 N/A ASP 419.A N THR 439.A O no hydrogen 3.071 N/A TYR 420.A N SER 414.A O no hydrogen 3.217 N/A TYR 420.A OH ASP 334.A OD2 no hydrogen 2.892 N/A VAL 421.A N TYR 437.A O no hydrogen 3.015 N/A TRP 422.A N SER 412.A O no hydrogen 2.964 N/A TRP 422.A NE1 SER 414.A OG no hydrogen 3.191 N/A ASP 423.A N ARG 435.A O no hydrogen 2.892 N/A THR 424.A OG1 ASP 423.A O no hydrogen 2.337 N/A PHE 426.A N LEU 408.A O no hydrogen 2.773 N/A HIS 427.A N ALA 431.A O no hydrogen 2.938 N/A HIS 427.A ND1 GLU 405.A OE2 no hydrogen 2.314 N/A HIS 427.A NE2 GLU 433.A OE1 no hydrogen 2.478 N/A GLY 430.A N HIS 427.A O no hydrogen 2.945 N/A ALA 431.A N HIS 427.A O no hydrogen 3.327 N/A ILE 432.A N LEU 652.A O no hydrogen 3.011 N/A GLU 433.A N VAL 425.A O no hydrogen 2.838 N/A ILE 434.A N PHE 650.A O no hydrogen 3.017 N/A ARG 435.A NE GLU 433.A OE2 no hydrogen 3.479 N/A ARG 435.A NH2 GLU 433.A OE2 no hydrogen 3.023 N/A PHE 436.A N VAL 648.A O no hydrogen 2.760 N/A TYR 437.A N VAL 421.A O no hydrogen 3.104 N/A THR 439.A N ASP 419.A O no hydrogen 2.983 N/A GLY 440.A N THR 439.A OG1 no hydrogen 2.342 N/A TYR 441.A N ASN 418.A O no hydrogen 3.058 N/A SER 444.A OG PHE 187.A O no hydrogen 3.523 N/A SER 444.A OG LEU 188.A O no hydrogen 3.364 N/A SER 444.A OG ALA 445.A O no hydrogen 3.267 N/A SER 444.A OG LEU 463.A O no hydrogen 3.448 N/A LEU 447.A N HIS 461.A O no hydrogen 2.602 N/A ALA 450.A N PHE 448.A O no hydrogen 2.508 N/A THR 451.A N GLY 449.A O no hydrogen 2.768 N/A GLY 452.A N THR 451.A OG1 no hydrogen 2.296 N/A LYS 453.A N THR 451.A O no hydrogen 2.707 N/A GLN 457.A NE2 SER 459.A O no hydrogen 3.055 N/A VAL 458.A N THR 462.A O no hydrogen 3.170 N/A SER 459.A OG THR 462.A OG1 no hydrogen 2.784 N/A THR 462.A N SER 459.A O no hydrogen 3.315 N/A THR 462.A OG1 LEU 188.A O no hydrogen 3.075 N/A THR 462.A OG1 SER 459.A OG no hydrogen 2.784 N/A THR 462.A OG1 GLU 460.A O no hydrogen 3.204 N/A LEU 463.A N ALA 445.A O no hydrogen 3.108 N/A GLY 464.A N ASN 456.A O no hydrogen 2.944 N/A THR 465.A OG1 SER 443.A O no hydrogen 2.769 N/A VAL 466.A N TYR 454.A O no hydrogen 3.182 N/A HIS 467.A N HIS 631.A O no hydrogen 2.823 N/A HIS 467.A ND1 THR 465.A O no hydrogen 3.185 N/A THR 468.A N ILE 319.A O no hydrogen 2.788 N/A HIS 469.A N PHE 629.A O no hydrogen 3.054 N/A HIS 469.A NE2 HIS 467.A NE2 no hydrogen 3.071 N/A HIS 472.A N GLU 315.A O no hydrogen 2.886 N/A HIS 472.A ND1 SER 591.A OG no hydrogen 2.921 N/A PHE 473.A N VAL 625.A O no hydrogen 2.682 N/A LYS 474.A N SER 312.A O no hydrogen 3.240 N/A LYS 474.A NZ GLU 310.A OE1 no hydrogen 3.029 N/A LYS 474.A NZ GLU 310.A OE2 no hydrogen 3.397 N/A LYS 474.A NZ PRO 589.A O no hydrogen 2.919 N/A VAL 475.A N ALA 623.A O no hydrogen 2.789 N/A ASP 476.A N GLU 310.A O no hydrogen 2.896 N/A ASP 478.A N LEU 307.A O no hydrogen 2.841 N/A VAL 479.A N ASN 484.A OD1 no hydrogen 3.122 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.905 N/A ASN 484.A N LYS 619.A O no hydrogen 2.685 N/A TRP 485.A N ALA 537.A O no hydrogen 2.797 N/A TRP 487.A N TYR 535.A O no hydrogen 2.865 N/A ALA 488.A N LYS 514.A O no hydrogen 2.787 N/A GLU 489.A N TYR 533.A O no hydrogen 2.804 N/A MET 491.A N ASP 490.A OD1 no hydrogen 3.046 N/A VAL 492.A N GLN 510.A O no hydrogen 2.572 N/A VAL 494.A N ARG 508.A O no hydrogen 2.901 N/A MET 496.A N LEU 506.A O no hydrogen 2.911 N/A VAL 498.A N HIS 504.A O no hydrogen 3.188 N/A SER 501.A N VAL 498.A O no hydrogen 2.862 N/A SER 501.A OG SER 501.A O no hydrogen 2.530 N/A SER 501.A OG HIS 504.A ND1 no hydrogen 3.340 N/A HIS 504.A N SER 501.A O no hydrogen 2.822 N/A HIS 504.A ND1 SER 501.A OG no hydrogen 3.340 N/A LEU 506.A N MET 496.A O no hydrogen 2.964 N/A ARG 508.A N VAL 494.A O no hydrogen 2.776 N/A GLN 510.A N VAL 492.A O no hydrogen 2.640 N/A THR 512.A N ASP 490.A O no hydrogen 2.930 N/A ARG 513.A NH1 GLU 489.A OE2 no hydrogen 3.096 N/A LYS 514.A N ALA 488.A O no hydrogen 2.798 N/A LEU 516.A N VAL 486.A O no hydrogen 3.037 N/A MET 518.A N GLN 521.A OE1 no hydrogen 2.733 N/A GLU 519.A N GLU 614.A O no hydrogen 2.940 N/A GLN 521.A N MET 518.A O no hydrogen 3.059 N/A ALA 522.A N GLU 519.A O no hydrogen 3.090 N/A PHE 524.A N LEU 579.A O no hydrogen 2.822 N/A VAL 526.A N ARG 576.A O no hydrogen 3.235 N/A THR 530.A OG1 GLN 578.A OE1 no hydrogen 3.535 N/A ARG 532.A N ASP 490.A OD2 no hydrogen 3.166 N/A ARG 532.A NH1 ASP 490.A OD1 no hydrogen 2.937 N/A TYR 533.A N GLU 489.A O no hydrogen 3.060 N/A TYR 535.A N TRP 487.A O no hydrogen 3.021 N/A TYR 535.A OH GLU 489.A OE2 no hydrogen 2.778 N/A LEU 536.A N TYR 550.A O no hydrogen 2.969 N/A ALA 537.A N TRP 485.A O no hydrogen 2.702 N/A SER 538.A N ARG 548.A O no hydrogen 3.013 N/A SER 538.A OG ALA 480.A O no hydrogen 2.779 N/A SER 541.A OG ASN 542.A O no hydrogen 3.344 N/A SER 541.A OG GLY 545.A O no hydrogen 3.468 N/A ASN 542.A N HIS 546.A O no hydrogen 2.800 N/A ASN 542.A ND2 PHE 658.A O no hydrogen 3.349 N/A LYS 543.A N ASP 659.A OD1 no hydrogen 3.058 N/A TRP 544.A NE1 ASP 659.A O no hydrogen 3.210 N/A GLY 545.A N ASN 542.A O no hydrogen 3.060 N/A GLY 545.A N ASN 542.A OD1 no hydrogen 2.780 N/A ARG 548.A NE PHE 657.A O no hydrogen 2.788 N/A ARG 548.A NH2 GLU 305.A OE1 no hydrogen 3.319 N/A ARG 548.A NH2 GLU 305.A OE2 no hydrogen 3.522 N/A ARG 548.A NH2 PHE 657.A O no hydrogen 3.329 N/A TYR 550.A N LEU 536.A O no hydrogen 2.986 N/A TYR 550.A OH GLY 430.A O no hydrogen 2.413 N/A ARG 551.A N ARG 653.A O no hydrogen 2.595 N/A ARG 551.A NH2 ARG 532.A O no hydrogen 3.292 N/A ILE 552.A N LEU 534.A O no hydrogen 2.872 N/A GLN 553.A N PHE 651.A O no hydrogen 2.883 N/A LEU 555.A N GLY 649.A O no hydrogen 3.209 N/A SER 556.A OG THR 626.A O no hydrogen 3.524 N/A PHE 557.A N GLY 628.A O no hydrogen 2.922 N/A LEU 562.A N GLU 575.A OE1 no hydrogen 3.061 N/A LEU 562.A N GLU 575.A OE2 no hydrogen 3.156 N/A SER 566.A N PRO 563.A O no hydrogen 3.193 N/A MET 568.A N SER 566.A OG no hydrogen 3.385 N/A ARG 570.A NH1 ASP 606.A OD2 no hydrogen 3.040 N/A ARG 570.A NH2 ASP 606.A OD2 no hydrogen 2.706 N/A GLY 571.A N MET 568.A O no hydrogen 2.786 N/A PHE 572.A N ALA 569.A O no hydrogen 3.012 N/A SER 573.A OG ALA 569.A O no hydrogen 3.380 N/A SER 573.A OG ARG 570.A O no hydrogen 3.220 N/A SER 573.A OG ASP 606.A OD1 no hydrogen 2.443 N/A GLU 575.A N PHE 572.A O no hydrogen 3.026 N/A ARG 576.A N SER 573.A O no hydrogen 3.029 N/A ARG 576.A NH1 SER 573.A O no hydrogen 3.340 N/A ARG 576.A NH2 GLN 564.A OE1 no hydrogen 3.271 N/A TYR 577.A N TRP 574.A O no hydrogen 3.340 N/A GLN 578.A N PHE 524.A O no hydrogen 2.737 N/A LEU 579.A N PHE 524.A O no hydrogen 3.388 N/A ALA 580.A N TRP 624.A O no hydrogen 3.144 N/A VAL 581.A N ALA 522.A O no hydrogen 2.874 N/A THR 582.A N VAL 622.A O no hydrogen 3.127 N/A THR 582.A OG1 GLU 519.A OE2 no hydrogen 3.365 N/A THR 582.A OG1 PHE 610.A O no hydrogen 3.462 N/A GLN 583.A N GLU 519.A OE2 no hydrogen 2.937 N/A GLN 583.A NE2 THR 615.A O no hydrogen 2.682 N/A ARG 584.A N ASP 620.A O no hydrogen 2.819 N/A ARG 584.A NE ASP 476.A OD2 no hydrogen 3.306 N/A ARG 584.A NH2 GLU 586.A OE2 no hydrogen 3.351 N/A LYS 585.A NZ GLU 614.A OE1 no hydrogen 2.985 N/A GLU 587.A N GLU 587.A OE1 no hydrogen 2.256 N/A GLU 588.A N LYS 585.A O no hydrogen 3.064 N/A SER 590.A OG GLN 314.A OE1 no hydrogen 3.257 N/A SER 591.A N GLN 314.A OE1 no hydrogen 3.006 N/A SER 591.A OG GLN 314.A OE1 no hydrogen 3.248 N/A SER 591.A OG HIS 472.A ND1 no hydrogen 2.921 N/A SER 592.A OG GLU 315.A OE1 no hydrogen 3.001 N/A PHE 595.A N SER 593.A OG no hydrogen 3.071 N/A ASN 596.A N SER 593.A O no hydrogen 2.626 N/A ASN 596.A ND2 GLY 571.A O no hydrogen 3.607 N/A ASN 596.A ND2 VAL 605.A O no hydrogen 2.871 N/A ASN 598.A ND2 ARG 117.A O no hydrogen 3.204 N/A ASP 599.A N ASN 596.A O no hydrogen 3.001 N/A TRP 601.A N ASP 599.A OD1 no hydrogen 3.306 N/A ALA 602.A N ASP 599.A OD1 no hydrogen 2.988 N/A THR 604.A N ASN 596.A OD1 no hydrogen 2.604 N/A THR 604.A OG1 PHE 595.A O no hydrogen 3.448 N/A THR 604.A OG1 ASN 596.A OD1 no hydrogen 3.214 N/A VAL 605.A N ASN 596.A OD1 no hydrogen 3.439 N/A SER 608.A N ASP 606.A OD1 no hydrogen 3.207 N/A SER 608.A OG ASP 606.A OD1 no hydrogen 3.098 N/A SER 608.A OG ASP 606.A OD2 no hydrogen 2.942 N/A ASP 609.A N ASP 606.A O no hydrogen 2.976 N/A PHE 610.A N PHE 607.A O no hydrogen 2.976 N/A ILE 611.A N SER 608.A O no hydrogen 2.847 N/A ASN 612.A N GLU 519.A OE1 no hydrogen 3.041 N/A THR 615.A OG1 GLU 517.A O no hydrogen 3.476 N/A ILE 616.A N GLU 517.A O no hydrogen 2.632 N/A ALA 617.A N THR 615.A OG1 no hydrogen 3.084 N/A LYS 619.A N ASN 484.A O no hydrogen 3.134 N/A VAL 622.A N THR 582.A O no hydrogen 2.954 N/A ALA 623.A N VAL 475.A O no hydrogen 2.630 N/A TRP 624.A N ALA 580.A O no hydrogen 2.910 N/A THR 626.A N GLN 578.A O no hydrogen 3.161 N/A THR 626.A OG1 TRP 574.A O no hydrogen 3.065 N/A THR 626.A OG1 TYR 577.A O no hydrogen 2.824 N/A ALA 627.A N ALA 471.A O no hydrogen 2.966 N/A PHE 629.A N HIS 469.A O no hydrogen 3.073 N/A HIS 631.A N HIS 467.A O no hydrogen 2.701 N/A HIS 631.A NE2 ASP 637.A OD2 no hydrogen 2.803 N/A HIS 634.A N ASP 637.A OD2 no hydrogen 3.233 N/A HIS 634.A ND1 ILE 632.A O no hydrogen 2.974 N/A ASP 637.A N HIS 634.A O no hydrogen 3.044 N/A ILE 638.A N ALA 635.A O no hydrogen 3.189 N/A THR 641.A N GLY 440.A O no hydrogen 2.916 N/A ASN 646.A N THR 643.A O no hydrogen 2.656 N/A ASN 646.A ND2 ALA 438.A O no hydrogen 3.552 N/A GLY 649.A N LEU 555.A O no hydrogen 3.430 N/A PHE 650.A N ILE 434.A O no hydrogen 3.089 N/A PHE 651.A N GLN 553.A O no hydrogen 2.655 N/A LEU 652.A N ILE 432.A O no hydrogen 2.837 N/A ARG 653.A N ARG 551.A O no hydrogen 2.955 N/A ARG 653.A NE GLN 553.A OE1 no hydrogen 2.787 N/A TYR 655.A N GLY 549.A O no hydrogen 2.648 N/A TYR 655.A OH GLU 489.A OE1 no hydrogen 2.542 N/A SER 663.A N ASP 661.A OD1 no hydrogen 3.136 N/A SER 663.A OG ASP 661.A OD2 no hydrogen 2.359 N/A PHE 664.A N ASP 661.A O no hydrogen 2.891 N/A TYR 665.A N PRO 662.A O no hydrogen 3.199 N/A TYR 665.A OH GLU 660.A OE2 no hydrogen 2.838 N/A SER 666.A N SER 663.A O no hydrogen 3.092 N/A ASP 668.A N SER 666.A OG no hydrogen 2.926 N/A SER 669.A N SER 666.A OG no hydrogen 3.205 N/A ILE 670.A N GLY 402.A O no hydrogen 2.751 N/A PHE 672.A N PHE 400.A O no hydrogen 2.985 N/A ARG 673.A N GLN 676.A OE1 no hydrogen 3.014 N/A ARG 673.A NE ASP 675.A OD1 no hydrogen 3.192 N/A ARG 673.A NE ASP 675.A OD2 no hydrogen 2.982 N/A ARG 673.A NH2 ASP 675.A OD1 no hydrogen 3.144 N/A GLY 674.A N HIS 398.A O no hydrogen 2.699 N/A GLN 676.A N ARG 673.A O no hydrogen 3.148 N/A GLY 679.A N ASP 677.A OD1 no hydrogen 2.740 N/A VAL 683.A N ALA 680.A O no hydrogen 3.169 N/A ASN 684.A N ALA 680.A O no hydrogen 2.708 N/A ASN 684.A ND2 ALA 678.A O no hydrogen 3.347 N/A LEU 686.A N ASN 684.A OD1 no hydrogen 2.600 N/A ALA 687.A N ASN 684.A O no hydrogen 3.002 N/A CYS 688.A N PRO 685.A O no hydrogen 3.076 N/A CYS 688.A SG CYS 681.A O no hydrogen 4.002 N/A CYS 688.A SG ASN 684.A O no hydrogen 4.019 N/A LEU 689.A N LEU 686.A O no hydrogen 3.285 N/A SER 708.A OG HIS 709.A ND1 no hydrogen 2.844 N/A ASN 710.A ND2 HIS 709.A O no hydrogen 3.383 N/A