Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ajl_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 THR 530.A OG1 no hydrogen 3.066 N/A TYR 3.A N SER 529.A OG no hydrogen 2.988 N/A THR 4.A N ASP 7.A OD1 no hydrogen 3.048 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.320 N/A TYR 8.A N THR 4.A O no hydrogen 3.107 N/A LEU 9.A N LEU 5.A O no hydrogen 2.720 N/A LYS 10.A N THR 6.A O no hydrogen 2.484 N/A ASN 11.A N TYR 8.A O no hydrogen 3.275 N/A THR 12.A N ASP 7.A O no hydrogen 3.129 N/A THR 12.A OG1 ASP 7.A OD2 no hydrogen 2.745 N/A LYS 16.A N ASN 457.A OD1 no hydrogen 2.650 N/A TYR 18.A OH TYR 28.A OH no hydrogen 2.637 N/A ARG 21.A N LEU 29.A O no hydrogen 2.820 N/A ARG 21.A NH1 TYR 65.A O no hydrogen 3.567 N/A ARG 21.A NH2 ASP 64.A OD1 no hydrogen 2.615 N/A ILE 23.A N GLU 27.A O no hydrogen 3.202 N/A SER 24.A N GLU 27.A O no hydrogen 3.424 N/A SER 24.A OG GLU 27.A O no hydrogen 3.497 N/A HIS 26.A N SER 24.A OG no hydrogen 3.348 N/A GLU 27.A N SER 24.A OG no hydrogen 2.759 N/A TYR 28.A N PHE 39.A O no hydrogen 3.471 N/A TYR 28.A OH TYR 18.A OH no hydrogen 2.637 N/A LEU 29.A N ARG 21.A O no hydrogen 2.657 N/A TYR 30.A N LEU 37.A O no hydrogen 3.085 N/A GLN 32.A N ASN 35.A O no hydrogen 2.570 N/A ASN 35.A N GLN 32.A O no hydrogen 3.136 N/A ILE 36.A N LEU 50.A O no hydrogen 3.136 N/A VAL 38.A N SER 47.A O no hydrogen 2.970 N/A PHE 39.A N TYR 28.A O no hydrogen 2.928 N/A ASN 40.A N ASN 45.A O no hydrogen 2.806 N/A ALA 41.A N HIS 26.A O no hydrogen 3.167 N/A GLU 42.A N ASN 40.A OD1 no hydrogen 3.369 N/A ASN 52.A N ASN 35.A OD1 no hydrogen 2.731 N/A THR 54.A OG1 GLU 51.A O no hydrogen 3.337 N/A HIS 60.A N PHE 58.A O no hydrogen 2.183 N/A ASN 63.A N GLU 77.A O no hydrogen 3.040 N/A SER 68.A N PHE 73.A O no hydrogen 2.875 N/A ASP 70.A N GLY 121.A O no hydrogen 3.237 N/A GLY 71.A N SER 68.A O no hydrogen 2.922 N/A GLY 71.A N SER 68.A OG no hydrogen 2.988 N/A GLN 72.A N SER 68.A OG no hydrogen 3.167 N/A LEU 76.A N ASP 93.A O no hydrogen 2.726 N/A TYR 78.A N SER 91.A O no hydrogen 3.040 N/A TYR 78.A OH ASP 93.A OD2 no hydrogen 2.796 N/A VAL 81.A N THR 89.A O no hydrogen 2.675 N/A LYS 82.A NZ GLN 83.A O no hydrogen 2.809 N/A LYS 82.A NZ TRP 84.A O no hydrogen 2.862 N/A LYS 82.A NZ ASP 699.A OD2 no hydrogen 3.467 N/A GLN 83.A N SER 87.A O no hydrogen 3.241 N/A TRP 84.A N SER 87.A OG no hydrogen 2.930 N/A ARG 85.A NE GLU 165.A OE1 no hydrogen 2.501 N/A ARG 85.A NE GLU 165.A OE2 no hydrogen 3.269 N/A ARG 85.A NH2 GLU 165.A OE2 no hydrogen 3.285 N/A HIS 86.A N GLU 164.A OE2 no hydrogen 2.612 N/A SER 87.A N GLU 164.A OE2 no hydrogen 3.019 N/A SER 87.A OG GLU 164.A OE1 no hydrogen 3.056 N/A TYR 88.A OH GLU 77.A OE1 no hydrogen 3.166 N/A TYR 88.A OH GLU 77.A OE2 no hydrogen 3.389 N/A THR 89.A N VAL 81.A O no hydrogen 3.363 N/A ALA 90.A N THR 112.A O no hydrogen 3.270 N/A SER 91.A N TYR 78.A O no hydrogen 2.635 N/A SER 91.A OG ASN 110.A OD1 no hydrogen 3.018 N/A TYR 92.A OH GLU 77.A OE1 no hydrogen 2.618 N/A ASP 93.A N LEU 76.A O no hydrogen 3.287 N/A TYR 95.A OH ARG 100.A O no hydrogen 3.021 N/A LEU 97.A N GLN 72.A O no hydrogen 3.320 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.585 N/A LYS 99.A N ASP 96.A OD1 no hydrogen 2.445 N/A LYS 99.A NZ GLN 101.A OE1 no hydrogen 3.102 N/A ILE 103.A N ILE 94.A O no hydrogen 2.981 N/A THR 104.A N GLU 105.A OE1 no hydrogen 2.591 N/A THR 104.A OG1 LEU 102.A O no hydrogen 3.312 N/A THR 104.A OG1 GLU 105.A OE1 no hydrogen 3.296 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.253 N/A THR 112.A OG1 PRO 109.A O no hydrogen 3.361 N/A GLN 113.A N VAL 127.A O no hydrogen 3.162 N/A THR 116.A OG1 TRP 117.A O no hydrogen 3.085 N/A SER 118.A N LYS 123.A O no hydrogen 2.766 N/A SER 118.A OG VAL 120.A O no hydrogen 2.364 N/A HIS 122.A ND1 ASP 70.A OD2 no hydrogen 2.243 N/A HIS 122.A NE2 GLU 137.A OE1 no hydrogen 3.159 N/A LYS 123.A N SER 118.A OG no hydrogen 3.163 N/A LYS 123.A NZ GLY 180.A O no hydrogen 2.908 N/A LYS 123.A NZ THR 233.A O no hydrogen 3.433 N/A LYS 123.A NZ THR 233.A OG1 no hydrogen 3.414 N/A LEU 124.A N LYS 135.A O no hydrogen 2.724 N/A ALA 125.A N THR 116.A O no hydrogen 2.803 N/A TYR 126.A N TYR 133.A O no hydrogen 2.965 N/A TYR 126.A OH SER 142.A OG no hydrogen 3.255 N/A VAL 127.A N TRP 114.A O no hydrogen 2.641 N/A TRP 128.A N ASP 131.A O no hydrogen 2.871 N/A TRP 128.A NE1 ASN 110.A O no hydrogen 2.843 N/A ASN 130.A N GLN 113.A OE1 no hydrogen 2.748 N/A ASP 131.A N TRP 128.A O no hydrogen 2.859 N/A ILE 132.A N THR 146.A OG1 no hydrogen 2.672 N/A TYR 133.A N TYR 126.A O no hydrogen 2.849 N/A VAL 134.A N TYR 143.A O no hydrogen 2.850 N/A LYS 135.A N LEU 124.A O no hydrogen 2.623 N/A LYS 135.A NZ PRO 138.A O no hydrogen 2.812 N/A LYS 135.A NZ LEU 140.A O no hydrogen 2.450 N/A LEU 140.A N GLU 137.A O no hydrogen 2.872 N/A SER 142.A OG TYR 126.A OH no hydrogen 3.255 N/A TYR 143.A N VAL 134.A O no hydrogen 2.917 N/A ARG 144.A NH1 THR 146.A O no hydrogen 2.882 N/A ILE 145.A N ILE 132.A O no hydrogen 2.511 N/A THR 146.A OG1 ASP 131.A OD1 no hydrogen 2.784 N/A GLY 149.A N ASP 131.A OD1 no hydrogen 2.701 N/A LYS 150.A N ILE 154.A O no hydrogen 3.099 N/A ILE 154.A N LYS 150.A O no hydrogen 3.169 N/A TYR 155.A N PHE 188.A O no hydrogen 2.870 N/A ASN 156.A N ASN 130.A O no hydrogen 3.241 N/A ASN 156.A ND2 ASP 131.A OD1 no hydrogen 3.569 N/A ASN 156.A ND2 THR 148.A OG1 no hydrogen 2.702 N/A GLY 157.A N ALA 186.A O no hydrogen 3.447 N/A THR 159.A N TYR 171.A O no hydrogen 2.684 N/A THR 159.A OG1 ASP 160.A O no hydrogen 3.529 N/A THR 159.A OG1 ALA 170.A O no hydrogen 2.932 N/A THR 159.A OG1 TYR 171.A O no hydrogen 3.100 N/A TRP 161.A NE1 ASP 669.A OD2 no hydrogen 2.711 N/A TYR 163.A N ASP 160.A OD1 no hydrogen 2.720 N/A GLU 164.A N ASP 160.A O no hydrogen 3.246 N/A GLU 165.A N TRP 161.A O no hydrogen 3.218 N/A GLU 166.A N VAL 162.A O no hydrogen 2.879 N/A VAL 167.A N TYR 163.A O no hydrogen 3.071 N/A PHE 168.A N TYR 163.A O no hydrogen 2.747 N/A SER 169.A OG HIS 86.A NE2 no hydrogen 3.387 N/A SER 169.A OG SER 169.A O no hydrogen 2.505 N/A ALA 170.A N GLU 164.A O no hydrogen 2.844 N/A ALA 173.A N GLY 157.A O no hydrogen 2.547 N/A TRP 175.A N ALA 184.A O no hydrogen 2.683 N/A SER 177.A N PHE 182.A O no hydrogen 2.941 N/A SER 177.A OG PHE 182.A O no hydrogen 3.069 N/A GLY 180.A N SER 177.A O no hydrogen 2.798 N/A THR 181.A N ASN 179.A OD1 no hydrogen 3.201 N/A THR 181.A OG1 ASN 179.A OD1 no hydrogen 2.514 N/A PHE 182.A N SER 177.A OG no hydrogen 2.657 N/A LEU 183.A N VAL 231.A O no hydrogen 2.836 N/A ALA 184.A N TRP 175.A O no hydrogen 2.915 N/A TYR 185.A N PHE 229.A O no hydrogen 3.324 N/A TYR 185.A OH SER 244.A OG no hydrogen 3.087 N/A ALA 186.A N ALA 173.A O no hydrogen 3.140 N/A GLN 187.A N LYS 227.A O no hydrogen 2.662 N/A GLN 187.A NE2 ASN 156.A OD1 no hydrogen 2.787 N/A PHE 188.A N TYR 155.A O no hydrogen 2.936 N/A ASN 189.A N THR 225.A O no hydrogen 3.042 N/A ASP 190.A N ILE 153.A O no hydrogen 2.797 N/A VAL 193.A N ASP 190.A O no hydrogen 2.558 N/A ILE 196.A N VAL 214.A O no hydrogen 3.058 N/A TYR 198.A N VAL 212.A O no hydrogen 3.173 N/A PHE 200.A N LYS 210.A O no hydrogen 2.605 N/A TYR 201.A N ASP 697.A OD1 no hydrogen 2.981 N/A SER 202.A N ASP 697.A OD2 no hydrogen 2.846 N/A LEU 206.A N ASP 203.A O no hydrogen 2.552 N/A LYS 210.A N PHE 200.A O no hydrogen 2.678 N/A VAL 212.A N TYR 198.A O no hydrogen 2.834 N/A ARG 213.A NH1 GLU 197.A OE2 no hydrogen 3.192 N/A VAL 214.A N ILE 196.A O no hydrogen 3.149 N/A TYR 216.A N PRO 194.A O no hydrogen 2.868 N/A TYR 216.A OH ASN 670.A O no hydrogen 2.936 N/A LYS 218.A NZ TYR 621.A O no hydrogen 2.858 N/A LYS 218.A NZ HIS 672.A ND1 no hydrogen 2.742 N/A LYS 218.A NZ GLN 674.A OE1 no hydrogen 3.006 N/A ALA 219.A N TYR 622.A O no hydrogen 3.090 N/A GLY 220.A N GLU 628.A OE2 no hydrogen 2.771 N/A ALA 221.A N LYS 218.A O no hydrogen 2.747 N/A ASN 223.A ND2 SER 624.A OG no hydrogen 2.790 N/A THR 225.A N ASN 189.A O no hydrogen 3.067 N/A LYS 227.A N GLN 187.A O no hydrogen 2.964 N/A PHE 229.A N TYR 185.A O no hydrogen 3.101 N/A VAL 230.A N ILE 245.A O no hydrogen 2.814 N/A VAL 231.A N LEU 183.A O no hydrogen 2.964 N/A ASN 232.A ND2 THR 181.A O no hydrogen 3.161 N/A THR 233.A N THR 181.A O no hydrogen 2.892 N/A THR 233.A OG1 THR 181.A O no hydrogen 3.046 N/A ASP 234.A N ASN 232.A O no hydrogen 3.013 N/A SER 235.A N ASN 232.A O no hydrogen 3.392 N/A SER 235.A OG ASN 232.A OD1 no hydrogen 3.209 N/A SER 237.A OG THR 240.A OG1 no hydrogen 2.743 N/A VAL 239.A N SER 237.A OG no hydrogen 3.155 N/A THR 240.A N SER 237.A OG no hydrogen 2.804 N/A THR 240.A OG1 SER 237.A OG no hydrogen 2.743 N/A SER 244.A OG TYR 185.A OH no hydrogen 3.087 N/A ILE 245.A N VAL 230.A O no hydrogen 2.958 N/A ILE 247.A N PHE 228.A O no hydrogen 2.857 N/A MET 253.A N PRO 250.A O no hydrogen 2.735 N/A LEU 254.A N PRO 250.A O no hydrogen 2.833 N/A ILE 255.A N ALA 251.A O no hydrogen 3.106 N/A GLY 256.A N MET 253.A O no hydrogen 3.160 N/A HIS 258.A ND1 GLY 256.A O no hydrogen 2.681 N/A TYR 259.A N LEU 276.A O no hydrogen 2.662 N/A TYR 259.A OH ASN 223.A OD1 no hydrogen 2.937 N/A LEU 260.A N TYR 163.A OH no hydrogen 2.842 N/A CYS 261.A N GLN 274.A O no hydrogen 2.805 N/A CYS 261.A SG GLN 274.A O no hydrogen 2.979 N/A THR 264.A N SER 272.A O no hydrogen 3.007 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.771 N/A TRP 265.A NE1 TRP 175.A O no hydrogen 2.934 N/A ALA 266.A N ARG 270.A O no hydrogen 2.733 N/A THR 267.A N ARG 270.A O no hydrogen 3.002 N/A GLU 269.A N THR 267.A OG1 no hydrogen 3.348 N/A ARG 270.A N THR 267.A O no hydrogen 3.444 N/A ARG 270.A NE GLY 328.A O no hydrogen 3.149 N/A ARG 270.A NH1 ASP 289.A OD1 no hydrogen 3.342 N/A ARG 270.A NH1 ASP 289.A OD2 no hydrogen 3.127 N/A ARG 270.A NH2 GLY 328.A O no hydrogen 2.725 N/A ILE 271.A N CYS 288.A O no hydrogen 2.880 N/A SER 272.A N THR 264.A O no hydrogen 2.851 N/A SER 272.A OG THR 264.A O no hydrogen 2.461 N/A LEU 273.A N ASP 286.A O no hydrogen 2.908 N/A GLN 274.A N ASP 262.A O no hydrogen 3.165 N/A GLN 274.A NE2 GLU 307.A OE1 no hydrogen 3.526 N/A TRP 275.A N VAL 284.A O no hydrogen 2.628 N/A LEU 276.A N TYR 259.A O no hydrogen 2.889 N/A ARG 277.A N TYR 282.A O no hydrogen 3.194 N/A ARG 277.A NE SER 252.A O no hydrogen 2.910 N/A ARG 277.A NH2 SER 252.A O no hydrogen 3.025 N/A ARG 278.A N ASP 257.A O no hydrogen 2.805 N/A ARG 278.A NE GLU 628.A OE1 no hydrogen 2.595 N/A ARG 278.A NH1 ALA 221.A O no hydrogen 3.077 N/A ARG 278.A NH1 ASP 257.A OD2 no hydrogen 2.723 N/A ARG 278.A NH2 ALA 221.A O no hydrogen 2.618 N/A ARG 278.A NH2 GLU 628.A OE2 no hydrogen 2.979 N/A GLN 280.A NE2 VAL 625.A O no hydrogen 3.056 N/A ASN 281.A N ILE 279.A O no hydrogen 2.959 N/A SER 283.A N GLU 307.A O no hydrogen 2.766 N/A SER 283.A OG TRP 275.A O no hydrogen 3.043 N/A VAL 284.A N TRP 275.A O no hydrogen 2.863 N/A MET 285.A N HIS 305.A O no hydrogen 2.837 N/A ASP 286.A N LEU 273.A O no hydrogen 2.782 N/A CYS 288.A N ILE 271.A O no hydrogen 2.944 N/A ASP 289.A N ASN 298.A O no hydrogen 2.825 N/A TYR 290.A N GLU 269.A O no hydrogen 2.733 N/A ASP 291.A N ARG 296.A O no hydrogen 3.213 N/A GLY 295.A N ASP 291.A O no hydrogen 3.219 N/A ASN 298.A N ASP 289.A O no hydrogen 3.123 N/A ARG 303.A N LEU 300.A O no hydrogen 2.819 N/A GLN 304.A N VAL 301.A O no hydrogen 3.055 N/A HIS 305.A N MET 285.A O no hydrogen 2.890 N/A GLU 307.A N SER 283.A O no hydrogen 2.783 N/A SER 309.A N ASN 281.A O no hydrogen 2.709 N/A SER 309.A OG GLY 312.A O no hydrogen 3.276 N/A SER 309.A OG TRP 313.A O no hydrogen 3.492 N/A THR 311.A OG1 HIS 552.A ND1 no hydrogen 2.765 N/A VAL 314.A N GLN 280.A O no hydrogen 2.826 N/A ARG 316.A NH1 VAL 364.A O no hydrogen 2.759 N/A ARG 316.A NH2 GLU 363.A OE1 no hydrogen 2.877 N/A ARG 316.A NH2 VAL 364.A O no hydrogen 3.284 N/A ARG 318.A NE CYS 261.A O no hydrogen 3.527 N/A ARG 318.A NH2 CYS 261.A O no hydrogen 3.412 N/A SER 320.A OG ILE 334.A O no hydrogen 2.434 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.398 N/A HIS 323.A N TYR 332.A O no hydrogen 2.998 N/A HIS 323.A NE2 GLU 321.A OE2 no hydrogen 2.739 N/A THR 325.A N SER 330.A O no hydrogen 2.997 N/A THR 325.A OG1 SER 330.A O no hydrogen 3.423 N/A THR 325.A OG1 SER 330.A OG no hydrogen 2.783 N/A GLY 328.A N THR 325.A O no hydrogen 2.875 N/A ASN 329.A N ASP 327.A OD1 no hydrogen 3.303 N/A SER 330.A OG THR 325.A OG1 no hydrogen 2.783 N/A SER 330.A OG TYR 346.A OH no hydrogen 3.116 N/A PHE 331.A N PHE 347.A O no hydrogen 2.964 N/A TYR 332.A N HIS 323.A O no hydrogen 3.240 N/A LYS 333.A N CYS 345.A O no hydrogen 3.115 N/A LYS 333.A NZ GLU 307.A OE1 no hydrogen 2.854 N/A LYS 333.A NZ SER 320.A O no hydrogen 2.708 N/A ILE 335.A N HIS 343.A O no hydrogen 2.938 N/A SER 336.A OG ASP 548.A OD2 no hydrogen 2.786 N/A ASN 337.A N TYR 341.A O no hydrogen 2.998 N/A GLY 340.A N ASN 337.A O no hydrogen 3.265 N/A ARG 342.A N GLU 363.A OE2 no hydrogen 2.780 N/A HIS 343.A N ILE 335.A O no hydrogen 2.775 N/A HIS 343.A NE2 GLY 360.A O no hydrogen 2.890 N/A ILE 344.A N THR 358.A OG1 no hydrogen 3.158 N/A CYS 345.A N LYS 333.A O no hydrogen 3.207 N/A TYR 346.A N THR 355.A O no hydrogen 3.035 N/A TYR 346.A OH SER 330.A OG no hydrogen 3.116 N/A PHE 347.A N PHE 331.A O no hydrogen 2.790 N/A GLN 348.A NE2 TYR 346.A OH no hydrogen 3.344 N/A ILE 349.A N ASN 329.A O no hydrogen 3.035 N/A LYS 351.A N GLN 348.A O no hydrogen 2.749 N/A LYS 352.A NZ ALA 302.A O no hydrogen 2.839 N/A THR 355.A N TYR 346.A O no hydrogen 3.048 N/A ILE 357.A N ILE 344.A O no hydrogen 2.842 N/A THR 358.A OG1 HIS 343.A ND1 no hydrogen 2.516 N/A TRP 362.A N GLY 360.A O no hydrogen 2.595 N/A GLU 363.A N ASN 380.A OD1 no hydrogen 2.710 N/A VAL 364.A N ARG 342.A O no hydrogen 3.332 N/A ILE 365.A N ILE 378.A O no hydrogen 2.619 N/A GLY 366.A N ILE 378.A O no hydrogen 3.360 N/A GLU 368.A N TYR 376.A O no hydrogen 2.671 N/A ALA 369.A N TYR 376.A O no hydrogen 3.075 N/A THR 371.A N TYR 374.A O no hydrogen 2.840 N/A THR 371.A OG1 TYR 374.A O no hydrogen 3.114 N/A TYR 374.A N THR 371.A OG1 no hydrogen 2.977 N/A LEU 375.A N ILE 394.A O no hydrogen 3.117 N/A TYR 376.A N ALA 369.A O no hydrogen 2.530 N/A TYR 377.A N TYR 392.A O no hydrogen 2.827 N/A ILE 378.A N GLY 366.A O no hydrogen 3.023 N/A SER 379.A N ASN 390.A O no hydrogen 3.151 N/A ASN 380.A N GLU 363.A O no hydrogen 3.129 N/A ASN 380.A ND2 PRO 386.A O no hydrogen 3.097 N/A ASN 380.A ND2 TYR 545.A O no hydrogen 3.073 N/A GLU 381.A N SER 379.A OG no hydrogen 3.390 N/A TYR 382.A N TYR 392.A OH no hydrogen 3.167 N/A TYR 382.A OH GLU 408.A OE1 no hydrogen 3.034 N/A LYS 383.A NZ TYR 382.A OH no hydrogen 3.260 N/A GLY 384.A N GLU 381.A O no hydrogen 2.693 N/A MET 385.A N TYR 382.A O no hydrogen 3.016 N/A GLY 388.A N MET 385.A O no hydrogen 2.955 N/A ARG 389.A N GLN 415.A O no hydrogen 2.563 N/A ARG 389.A NH1 PRO 386.A O no hydrogen 3.242 N/A ARG 389.A NH1 GLY 388.A O no hydrogen 2.615 N/A ARG 389.A NH2 GLN 513.A OE1 no hydrogen 2.996 N/A ASN 390.A N SER 379.A O no hydrogen 3.262 N/A LEU 391.A N SER 406.A OG no hydrogen 2.801 N/A TYR 392.A N TYR 377.A O no hydrogen 2.633 N/A LYS 393.A N THR 403.A O no hydrogen 2.836 N/A LYS 393.A NZ ASP 448.A OD2 no hydrogen 2.397 N/A ILE 394.A N LEU 375.A O no hydrogen 3.230 N/A GLN 395.A N LYS 401.A O no hydrogen 3.102 N/A LEU 396.A N ASP 373.A O no hydrogen 3.002 N/A SER 397.A OG GLN 395.A OE1 no hydrogen 2.723 N/A ASP 398.A N GLN 395.A O no hydrogen 3.251 N/A THR 400.A N ASP 398.A OD1 no hydrogen 3.069 N/A THR 400.A OG1 ASP 398.A OD1 no hydrogen 2.337 N/A LYS 401.A N ASP 398.A O no hydrogen 2.915 N/A THR 403.A N LYS 393.A O no hydrogen 2.888 N/A CYS 404.A SG LEU 391.A O no hydrogen 3.507 N/A LEU 405.A N LEU 391.A O no hydrogen 2.695 N/A SER 406.A OG ASN 390.A OD1 no hydrogen 2.608 N/A CYS 407.A SG TYR 392.A OH no hydrogen 3.315 N/A LEU 409.A N SER 406.A O no hydrogen 2.843 N/A ARG 413.A NH2 LEU 437.A O no hydrogen 2.665 N/A ARG 413.A NH2 ASP 456.A O no hydrogen 3.398 N/A CYS 414.A N ASN 410.A O no hydrogen 2.884 N/A GLN 415.A N GLY 434.A O no hydrogen 2.613 N/A GLN 415.A NE2 PRO 411.A O no hydrogen 3.195 N/A GLN 415.A NE2 GLU 412.A O no hydrogen 3.371 N/A SER 418.A N ARG 431.A O no hydrogen 2.920 N/A SER 422.A N TYR 427.A O no hydrogen 2.688 N/A SER 422.A OG ASP 25.A O no hydrogen 3.489 N/A SER 422.A OG ASP 25.A OD1 no hydrogen 2.615 N/A SER 422.A OG TYR 427.A O no hydrogen 3.255 N/A LYS 423.A N SER 24.A O no hydrogen 3.310 N/A ALA 425.A N SER 422.A O no hydrogen 3.094 N/A LYS 426.A N SER 422.A OG no hydrogen 2.935 N/A TYR 427.A N SER 422.A OG no hydrogen 2.969 N/A TYR 427.A OH GLU 42.A OE2 no hydrogen 3.120 N/A TYR 428.A N HIS 443.A O no hydrogen 3.136 N/A GLN 429.A N SER 420.A O no hydrogen 2.605 N/A GLN 429.A NE2 TYR 18.A O no hydrogen 3.038 N/A LEU 430.A N THR 441.A O no hydrogen 2.805 N/A ARG 431.A N SER 418.A O no hydrogen 2.828 N/A ARG 431.A NH2 SER 418.A OG no hydrogen 3.226 N/A CYS 432.A N LEU 439.A O no hydrogen 2.930 N/A CYS 432.A SG ARG 413.A O no hydrogen 3.347 N/A CYS 432.A SG GLY 434.A O no hydrogen 3.870 N/A SER 433.A N TYR 416.A O no hydrogen 3.045 N/A GLY 436.A N ARG 413.A O no hydrogen 3.001 N/A LEU 439.A N CYS 432.A O no hydrogen 3.042 N/A TYR 440.A N GLU 455.A O no hydrogen 2.961 N/A THR 441.A N LEU 430.A O no hydrogen 3.082 N/A LEU 442.A N ARG 452.A O no hydrogen 2.987 N/A HIS 443.A N TYR 428.A O no hydrogen 3.027 N/A SER 444.A N LYS 449.A O no hydrogen 3.138 N/A SER 445.A N LYS 426.A O no hydrogen 2.830 N/A SER 445.A OG ALA 425.A O no hydrogen 2.582 N/A ASN 447.A N SER 444.A O no hydrogen 3.306 N/A ASP 448.A N SER 444.A O no hydrogen 2.214 N/A LEU 451.A N LEU 442.A O no hydrogen 2.504 N/A ARG 452.A N LEU 442.A O no hydrogen 3.409 N/A ARG 452.A NH1 GLU 42.A O no hydrogen 3.143 N/A ARG 452.A NH2 ALA 41.A O no hydrogen 2.740 N/A ARG 452.A NH2 GLU 42.A O no hydrogen 3.472 N/A LEU 454.A N TYR 440.A O no hydrogen 2.720 N/A GLU 455.A N TYR 440.A O no hydrogen 3.343 N/A ASN 457.A N GLU 455.A OE2 no hydrogen 2.373 N/A ASN 457.A ND2 LYS 16.A O no hydrogen 2.910 N/A ASN 457.A ND2 PRO 438.A O no hydrogen 3.224 N/A SER 458.A N ASP 456.A OD1 no hydrogen 3.050 N/A SER 458.A OG ASP 456.A OD1 no hydrogen 2.430 N/A ASP 461.A N ASN 457.A O no hydrogen 3.241 N/A LYS 462.A N SER 458.A O no hydrogen 3.001 N/A MET 463.A N ALA 459.A O no hydrogen 3.507 N/A LEU 464.A N LEU 460.A O no hydrogen 2.833 N/A GLN 465.A N LYS 462.A O no hydrogen 3.039 N/A ASN 466.A N MET 463.A O no hydrogen 2.892 N/A VAL 467.A N LEU 464.A O no hydrogen 3.381 N/A GLN 468.A N LYS 1.A O no hydrogen 2.390 N/A MET 469.A N VAL 467.A O no hydrogen 2.420 N/A SER 471.A N LEU 490.A O no hydrogen 2.663 N/A SER 471.A OG LEU 490.A O no hydrogen 3.337 N/A LYS 472.A NZ GLN 487.A OE1 no hydrogen 3.336 N/A LYS 472.A NZ ASP 516.A O no hydrogen 3.024 N/A LYS 472.A NZ VAL 518.A O no hydrogen 3.350 N/A LYS 473.A N MET 488.A O no hydrogen 2.858 N/A LYS 473.A NZ TYR 486.A OH no hydrogen 2.535 N/A ASP 475.A N TYR 486.A O no hydrogen 2.926 N/A ILE 477.A N PHE 484.A O no hydrogen 3.088 N/A LEU 479.A N THR 482.A O no hydrogen 2.800 N/A THR 482.A N ASN 480.A O no hydrogen 2.935 N/A PHE 484.A N ILE 477.A O no hydrogen 2.871 N/A TYR 486.A N ASP 475.A O no hydrogen 2.775 N/A GLN 487.A N SER 537.A O no hydrogen 2.942 N/A MET 488.A N LYS 473.A O no hydrogen 2.755 N/A ILE 489.A N VAL 535.A O no hydrogen 2.841 N/A LEU 490.A N SER 471.A O no hydrogen 2.694 N/A ASP 495.A N TYR 500.A OH no hydrogen 2.897 N/A SER 497.A N ASP 495.A OD2 no hydrogen 2.632 N/A SER 497.A OG ASP 495.A OD1 no hydrogen 2.895 N/A SER 497.A OG ASP 495.A OD2 no hydrogen 2.533 N/A LYS 499.A NZ SER 497.A O no hydrogen 3.175 N/A LYS 499.A NZ GLY 577.A O no hydrogen 2.538 N/A TYR 500.A N PHE 578.A O no hydrogen 2.897 N/A LEU 502.A N ARG 583.A O no hydrogen 2.881 N/A LEU 503.A N ILE 534.A O no hydrogen 2.869 N/A LEU 504.A N ALA 585.A O no hydrogen 2.712 N/A ASP 505.A N ALA 536.A O no hydrogen 2.738 N/A VAL 506.A N TRP 587.A O no hydrogen 2.918 N/A CYS 511.A N GLY 542.A O no hydrogen 2.540 N/A SER 512.A OG GLY 509.A O no hydrogen 2.735 N/A GLN 513.A NE2 PRO 386.A O no hydrogen 2.964 N/A LYS 514.A N ASP 539.A OD1 no hydrogen 2.612 N/A LYS 514.A NZ ASP 505.A OD1 no hydrogen 3.125 N/A LYS 514.A NZ SER 537.A OG no hydrogen 3.304 N/A ALA 515.A N ASP 539.A OD2 no hydrogen 3.116 N/A ASP 516.A N GLN 487.A OE1 no hydrogen 2.624 N/A THR 517.A N GLY 387.A O no hydrogen 3.195 N/A THR 517.A OG1 GLY 387.A O no hydrogen 3.557 N/A VAL 518.A N ASP 516.A OD1 no hydrogen 3.426 N/A PHE 519.A N SER 433.A O no hydrogen 3.139 N/A ARG 520.A NH1 ASP 516.A OD1 no hydrogen 2.644 N/A ARG 520.A NH2 ASP 516.A OD1 no hydrogen 3.255 N/A ARG 520.A NH2 ASP 516.A OD2 no hydrogen 2.885 N/A ASN 522.A N THR 525.A OG1 no hydrogen 2.899 N/A ALA 524.A N ASN 522.A OD1 no hydrogen 2.950 N/A THR 525.A N ASN 522.A O no hydrogen 2.827 N/A THR 525.A N ASN 522.A OD1 no hydrogen 3.367 N/A THR 525.A OG1 ARG 520.A O no hydrogen 3.435 N/A TYR 526.A N ASN 522.A O no hydrogen 3.364 N/A LEU 527.A N TRP 523.A O no hydrogen 3.067 N/A ALA 528.A N ALA 524.A O no hydrogen 3.040 N/A SER 529.A N THR 525.A O no hydrogen 2.829 N/A SER 529.A OG GLN 468.A O no hydrogen 3.261 N/A THR 530.A N TYR 526.A O no hydrogen 2.652 N/A THR 530.A OG1 THR 2.A OG1 no hydrogen 3.066 N/A THR 530.A OG1 TYR 3.A O no hydrogen 2.442 N/A GLU 531.A N LEU 527.A O no hydrogen 2.854 N/A ILE 533.A N LEU 527.A O no hydrogen 3.213 N/A ILE 534.A N PRO 501.A O no hydrogen 3.201 N/A VAL 535.A N ILE 489.A O no hydrogen 3.286 N/A ALA 536.A N LEU 503.A O no hydrogen 3.182 N/A SER 537.A N GLN 487.A O no hydrogen 2.859 N/A SER 537.A OG ASP 505.A O no hydrogen 2.916 N/A ASP 539.A N TRP 485.A O no hydrogen 3.217 N/A ARG 541.A N ASP 565.A OD2 no hydrogen 2.832 N/A ARG 541.A NE ASP 565.A OD1 no hydrogen 3.302 N/A ARG 541.A NE ASP 565.A OD2 no hydrogen 2.569 N/A ARG 541.A NH2 ASP 565.A OD1 no hydrogen 2.924 N/A GLY 542.A N ILE 550.A O no hydrogen 2.649 N/A SER 543.A N GLY 540.A O no hydrogen 3.044 N/A SER 543.A OG ASP 539.A O no hydrogen 3.467 N/A SER 543.A OG GLY 540.A O no hydrogen 2.812 N/A SER 543.A OG GLN 546.A OE1 no hydrogen 2.740 N/A GLY 544.A N SER 512.A O no hydrogen 3.195 N/A ASP 548.A N GLY 340.A O no hydrogen 2.784 N/A ILE 550.A N GLY 547.A O no hydrogen 3.261 N/A MET 551.A N GLY 547.A O no hydrogen 3.295 N/A HIS 552.A N ASP 548.A O no hydrogen 2.605 N/A HIS 552.A ND1 THR 311.A OG1 no hydrogen 2.765 N/A ALA 553.A N ILE 550.A O no hydrogen 2.901 N/A ASN 555.A N HIS 552.A O no hydrogen 3.008 N/A ARG 556.A N TYR 630.A O no hydrogen 2.357 N/A ARG 556.A NH1 ASP 638.A OD1 no hydrogen 2.542 N/A ARG 556.A NH2 ASP 638.A O no hydrogen 3.275 N/A ARG 557.A N ILE 554.A O no hydrogen 3.021 N/A ARG 557.A NH1 ARG 556.A O no hydrogen 2.378 N/A GLY 559.A N GLU 562.A OE1 no hydrogen 2.890 N/A THR 560.A N GLU 562.A OE2 no hydrogen 2.512 N/A THR 560.A OG1 ARG 557.A O no hydrogen 2.703 N/A PHE 561.A N THR 560.A OG1 no hydrogen 2.527 N/A VAL 563.A N GLU 562.A OE2 no hydrogen 3.112 N/A GLU 564.A N THR 560.A O no hydrogen 2.861 N/A ASP 565.A N PHE 561.A O no hydrogen 2.655 N/A GLN 566.A N VAL 563.A O no hydrogen 3.125 N/A GLN 566.A NE2 PHE 538.A O no hydrogen 3.491 N/A ILE 567.A N VAL 563.A O no hydrogen 3.175 N/A GLU 568.A N GLU 564.A O no hydrogen 2.958 N/A ALA 569.A N ASP 565.A O no hydrogen 2.989 N/A ALA 570.A N GLN 566.A O no hydrogen 3.472 N/A ARG 571.A N ILE 567.A O no hydrogen 2.758 N/A GLN 572.A N GLU 568.A O no hydrogen 2.794 N/A GLN 572.A N ALA 569.A O no hydrogen 2.998 N/A PHE 573.A N ALA 569.A O no hydrogen 2.688 N/A SER 574.A N ALA 570.A O no hydrogen 3.092 N/A SER 574.A OG ALA 570.A O no hydrogen 3.264 N/A SER 574.A OG ARG 571.A O no hydrogen 2.711 N/A MET 576.A N PHE 573.A O no hydrogen 2.930 N/A GLY 577.A N SER 574.A O no hydrogen 3.065 N/A ASP 580.A N TYR 500.A O no hydrogen 2.769 N/A LYS 582.A N ASP 580.A OD1 no hydrogen 3.281 N/A ARG 583.A N ASP 580.A O no hydrogen 2.418 N/A ARG 583.A NE ASP 580.A OD2 no hydrogen 2.750 N/A ARG 583.A NH1 PHE 723.A O no hydrogen 2.679 N/A ARG 583.A NH2 ASP 580.A OD2 no hydrogen 3.249 N/A ALA 585.A N LEU 502.A O no hydrogen 2.804 N/A ILE 586.A N CYS 609.A O no hydrogen 3.161 N/A TRP 587.A N LEU 504.A O no hydrogen 2.774 N/A GLY 588.A N ILE 611.A O no hydrogen 3.220 N/A TRP 589.A NE1 HIS 700.A O no hydrogen 2.870 N/A SER 590.A N VAL 613.A O no hydrogen 2.867 N/A SER 590.A OG HIS 700.A NE2 no hydrogen 3.286 N/A TYR 591.A OH GLU 562.A OE1 no hydrogen 3.025 N/A GLY 593.A N SER 590.A O no hydrogen 2.663 N/A TYR 594.A N SER 590.A O no hydrogen 2.949 N/A TYR 594.A OH SER 646.A O no hydrogen 2.838 N/A VAL 595.A N TYR 591.A O no hydrogen 2.961 N/A THR 596.A N GLY 592.A O no hydrogen 3.171 N/A THR 596.A OG1 GLY 592.A O no hydrogen 2.728 N/A SER 597.A N GLY 593.A O no hydrogen 3.014 N/A SER 597.A N TYR 594.A O no hydrogen 2.763 N/A SER 597.A OG GLY 593.A O no hydrogen 3.182 N/A SER 597.A OG TYR 660.A OH no hydrogen 2.796 N/A MET 598.A N TYR 594.A O no hydrogen 2.748 N/A VAL 599.A N VAL 595.A O no hydrogen 2.867 N/A LEU 600.A N THR 596.A O no hydrogen 3.169 N/A GLY 601.A N SER 597.A O no hydrogen 2.890 N/A GLY 601.A N MET 598.A O no hydrogen 3.305 N/A SER 602.A N VAL 599.A O no hydrogen 2.905 N/A SER 602.A OG VAL 599.A O no hydrogen 2.702 N/A LYS 608.A N ILE 584.A O no hydrogen 2.945 N/A LYS 608.A NZ GLU 659.A OE2 no hydrogen 3.021 N/A GLY 610.A N GLU 659.A O no hydrogen 3.045 N/A ILE 611.A N ILE 586.A O no hydrogen 3.016 N/A ALA 612.A N LEU 661.A O no hydrogen 2.995 N/A VAL 613.A N GLY 588.A O no hydrogen 2.958 N/A ALA 614.A N ILE 663.A O no hydrogen 2.998 N/A SER 617.A N GLN 675.A OE1 no hydrogen 2.431 N/A SER 617.A OG GLN 675.A O no hydrogen 3.298 N/A SER 617.A OG GLN 675.A OE1 no hydrogen 3.248 N/A ARG 618.A N GLN 675.A OE1 no hydrogen 3.231 N/A TRP 619.A NE1 TYR 594.A OH no hydrogen 2.992 N/A TYR 621.A N ARG 618.A O no hydrogen 2.646 N/A TYR 622.A N TRP 619.A O no hydrogen 3.224 N/A TYR 622.A OH GLU 166.A OE2 no hydrogen 2.910 N/A TYR 622.A OH ASN 670.A OD1 no hydrogen 2.660 N/A SER 624.A N PRO 217.A O no hydrogen 2.930 N/A VAL 625.A N SER 624.A OG no hydrogen 2.611 N/A TYR 626.A N ASP 623.A OD1 no hydrogen 2.906 N/A THR 627.A N ASP 623.A O no hydrogen 3.174 N/A THR 627.A OG1 ASP 623.A O no hydrogen 2.788 N/A GLU 628.A N SER 624.A O no hydrogen 2.904 N/A ARG 629.A NE TYR 630.A OH no hydrogen 3.183 N/A ARG 629.A NH1 GLN 280.A OE1 no hydrogen 3.424 N/A ARG 629.A NH2 TYR 630.A OH no hydrogen 3.205 N/A TYR 630.A N THR 627.A O no hydrogen 2.879 N/A MET 631.A N THR 627.A O no hydrogen 2.914 N/A GLY 632.A N GLU 628.A O no hydrogen 2.440 N/A LEU 633.A N ASP 638.A OD2 no hydrogen 3.134 N/A GLU 637.A N GLU 637.A OE2 no hydrogen 2.535 N/A ASP 638.A N THR 635.A O no hydrogen 2.928 N/A ASP 638.A N THR 635.A OG1 no hydrogen 2.885 N/A ASN 639.A N LEU 633.A O no hydrogen 2.875 N/A LEU 640.A N THR 635.A O no hydrogen 2.716 N/A HIS 642.A N ASN 639.A O no hydrogen 2.651 N/A HIS 642.A NE2 LEU 558.A O no hydrogen 2.861 N/A TYR 643.A N ASN 639.A O no hydrogen 3.145 N/A TYR 643.A OH GLY 632.A O no hydrogen 2.360 N/A ARG 644.A N LEU 640.A O no hydrogen 3.147 N/A ARG 644.A NE GLU 620.A OE2 no hydrogen 2.739 N/A ARG 644.A NH2 GLU 620.A OE1 no hydrogen 2.884 N/A ASN 645.A N HIS 642.A O no hydrogen 2.783 N/A SER 646.A N HIS 642.A O no hydrogen 3.007 N/A SER 646.A N TYR 643.A O no hydrogen 3.398 N/A SER 646.A OG HIS 642.A O no hydrogen 2.869 N/A SER 646.A OG TYR 643.A O no hydrogen 3.122 N/A VAL 648.A N SER 617.A O no hydrogen 2.817 N/A SER 650.A N THR 647.A O no hydrogen 3.431 N/A SER 650.A OG THR 647.A O no hydrogen 2.871 N/A ARG 651.A N VAL 648.A O no hydrogen 3.070 N/A ARG 651.A NE MET 598.A O no hydrogen 3.219 N/A ARG 651.A NH2 MET 598.A O no hydrogen 2.440 N/A ALA 652.A N MET 649.A O no hydrogen 3.387 N/A ASN 654.A ND2 GLY 601.A O no hydrogen 3.693 N/A PHE 655.A N ALA 652.A O no hydrogen 2.778 N/A LYS 656.A N GLU 653.A O no hydrogen 3.208 N/A VAL 658.A N PHE 655.A O no hydrogen 2.955 N/A GLU 659.A N LYS 608.A O no hydrogen 3.075 N/A TYR 660.A OH SER 597.A OG no hydrogen 2.796 N/A LEU 661.A N GLY 610.A O no hydrogen 3.167 N/A LEU 662.A N GLN 691.A O no hydrogen 3.046 N/A ILE 663.A N ALA 612.A O no hydrogen 3.137 N/A HIS 664.A N MET 693.A O no hydrogen 3.208 N/A HIS 664.A ND1 GLY 665.A O no hydrogen 2.713 N/A THR 666.A N TYR 695.A O no hydrogen 3.025 N/A THR 666.A OG1 TYR 695.A O no hydrogen 3.297 N/A ALA 667.A N GLU 698.A O no hydrogen 2.946 N/A ASN 670.A ND2 GLU 165.A OE2 no hydrogen 3.118 N/A HIS 672.A NE2 ASP 669.A O no hydrogen 2.955 N/A GLN 675.A N HIS 672.A O no hydrogen 2.971 N/A ALA 677.A N PHE 673.A O no hydrogen 2.984 N/A GLN 678.A N GLN 674.A O no hydrogen 2.909 N/A GLN 678.A N GLN 675.A O no hydrogen 3.017 N/A ILE 679.A N GLN 675.A O no hydrogen 3.208 N/A SER 680.A N SER 676.A O no hydrogen 3.120 N/A SER 680.A OG SER 676.A O no hydrogen 3.492 N/A SER 680.A OG ALA 677.A O no hydrogen 2.807 N/A LYS 681.A N ALA 677.A O no hydrogen 2.980 N/A ALA 682.A N GLN 678.A O no hydrogen 3.350 N/A LEU 683.A N ILE 679.A O no hydrogen 3.001 N/A VAL 684.A N SER 680.A O no hydrogen 2.889 N/A ASP 685.A N LYS 681.A O no hydrogen 3.130 N/A VAL 686.A N ALA 682.A O no hydrogen 3.194 N/A GLY 687.A N LEU 683.A O no hydrogen 2.900 N/A VAL 688.A N LEU 683.A O no hydrogen 2.840 N/A GLN 691.A N TYR 660.A O no hydrogen 2.881 N/A MET 693.A N LEU 662.A O no hydrogen 2.965 N/A TRP 694.A NE1 THR 696.A OG1 no hydrogen 3.206 N/A TYR 695.A N HIS 664.A O no hydrogen 3.044 N/A TYR 695.A OH HIS 710.A ND1 no hydrogen 2.473 N/A ASP 697.A N THR 666.A OG1 no hydrogen 2.825 N/A GLU 698.A N TYR 695.A O no hydrogen 3.294 N/A HIS 700.A ND1 ASP 668.A OD2 no hydrogen 2.697 N/A GLY 701.A N ASP 699.A OD1 no hydrogen 2.653 N/A ILE 702.A N ASP 699.A O no hydrogen 3.057 N/A SER 704.A N GLU 698.A OE1 no hydrogen 3.193 N/A SER 704.A OG GLU 698.A OE2 no hydrogen 2.619 N/A ALA 707.A N SER 704.A OG no hydrogen 2.807 N/A HIS 708.A N SER 704.A O no hydrogen 2.576 N/A GLN 709.A N SER 705.A O no hydrogen 3.120 N/A HIS 710.A N THR 706.A O no hydrogen 2.910 N/A HIS 710.A ND1 TYR 695.A OH no hydrogen 2.473 N/A ILE 711.A N ALA 707.A O no hydrogen 3.076 N/A TYR 712.A N HIS 708.A O no hydrogen 3.447 N/A THR 713.A N GLN 709.A O no hydrogen 3.141 N/A THR 713.A OG1 GLN 709.A O no hydrogen 3.130 N/A HIS 714.A N HIS 710.A O no hydrogen 2.926 N/A MET 715.A N ILE 711.A O no hydrogen 2.933 N/A SER 716.A N TYR 712.A O no hydrogen 3.092 N/A SER 716.A OG TYR 712.A O no hydrogen 2.494 N/A HIS 717.A N THR 713.A O no hydrogen 3.226 N/A PHE 718.A N HIS 714.A O no hydrogen 3.019 N/A ILE 719.A N MET 715.A O no hydrogen 2.911 N/A LYS 720.A N SER 716.A O no hydrogen 2.773 N/A LYS 720.A NZ GLU 531.A OE2 no hydrogen 3.307 N/A LYS 720.A NZ PRO 726.A O no hydrogen 2.996 N/A GLN 721.A N HIS 717.A O no hydrogen 2.875 N/A CYS 722.A N PHE 718.A O no hydrogen 2.974 N/A PHE 723.A N ILE 719.A O no hydrogen 2.957 N/A SER 724.A N GLN 721.A O no hydrogen 3.202 N/A LEU 725.A N LYS 720.A O no hydrogen 2.773 N/A