Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nl4_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 49.A OE2 no hydrogen 2.842 N/A VAL 2.A N SER 48.A O no hydrogen 3.088 N/A ALA 3.A N TYR 17.A O no hydrogen 2.909 N/A HIS 4.A N ALA 46.A O no hydrogen 2.773 N/A HIS 4.A ND1 ASP 16.A OD1 no hydrogen 2.818 N/A HIS 4.A NE2 SER 48.A OG no hydrogen 2.784 N/A VAL 5.A N PHE 15.A O no hydrogen 2.752 N/A ALA 6.A N ILE 43.A O no hydrogen 2.645 N/A VAL 9.A N LEU 7.A O no hydrogen 2.734 N/A ARG 13.A N LEU 11.A O no hydrogen 2.820 N/A PHE 15.A N VAL 5.A O no hydrogen 2.757 N/A TYR 17.A N ALA 3.A O no hydrogen 3.022 N/A TYR 17.A OH PRO 34.A O no hydrogen 2.849 N/A LEU 18.A N LYS 59.A O no hydrogen 3.114 N/A LEU 19.A N SER 1.A O no hydrogen 2.743 N/A MET 23.A N PRO 20.A O no hydrogen 3.199 N/A LYS 26.A NZ ASP 67.A O no hydrogen 3.490 N/A LYS 26.A NZ GLU 68.A OE1 no hydrogen 2.830 N/A GLY 28.A N VAL 44.A O no hydrogen 2.789 N/A CYS 29.A SG ASP 66.A O no hydrogen 3.620 N/A CYS 29.A SG ASP 67.A O no hydrogen 3.962 N/A ARG 30.A N ASP 66.A OD2 no hydrogen 3.183 N/A ARG 30.A NE LEU 102.A O no hydrogen 2.834 N/A ARG 30.A NH1 ASP 66.A OD2 no hydrogen 2.758 N/A ARG 30.A NH2 LEU 102.A O no hydrogen 3.352 N/A ARG 30.A NH2 LYS 106.A O no hydrogen 2.432 N/A VAL 31.A N GLY 42.A O no hydrogen 2.789 N/A ARG 32.A N GLU 63.A O no hydrogen 2.823 N/A ARG 32.A NE GLU 63.A OE1 no hydrogen 2.893 N/A VAL 33.A N ARG 40.A O no hydrogen 2.901 N/A PHE 35.A N GLN 38.A O no hydrogen 3.144 N/A ARG 40.A N VAL 33.A O no hydrogen 2.915 N/A GLY 42.A N VAL 31.A O no hydrogen 2.806 N/A ILE 43.A N ALA 6.A O no hydrogen 2.839 N/A VAL 44.A N CYS 29.A O no hydrogen 2.954 N/A ALA 45.A N HIS 4.A O no hydrogen 2.806 N/A ALA 46.A N HIS 4.A O no hydrogen 3.306 N/A SER 48.A N VAL 2.A O no hydrogen 2.976 N/A SER 48.A OG HIS 4.A NE2 no hydrogen 2.784 N/A GLU 57.A N PRO 54.A O no hydrogen 3.181 N/A LEU 58.A N LEU 55.A O no hydrogen 3.478 N/A VAL 61.A N LEU 18.A O no hydrogen 2.944 N/A GLU 63.A N ARG 32.A O no hydrogen 3.156 N/A LEU 65.A N ARG 30.A O no hydrogen 2.843 N/A VAL 70.A N GLY 28.A O no hydrogen 2.798 N/A VAL 75.A N SER 72.A OG no hydrogen 3.295 N/A TRP 76.A N SER 72.A O no hydrogen 2.827 N/A ARG 77.A N THR 73.A O no hydrogen 2.888 N/A LEU 78.A N THR 74.A O no hydrogen 2.817 N/A LEU 79.A N VAL 75.A O no hydrogen 2.987 N/A MET 80.A N TRP 76.A O no hydrogen 2.981 N/A TRP 81.A N ARG 77.A O no hydrogen 3.001 N/A ALA 82.A N LEU 78.A O no hydrogen 2.891 N/A ALA 83.A N LEU 79.A O no hydrogen 3.067 N/A GLU 84.A N MET 80.A O no hydrogen 3.397 N/A TYR 85.A N TRP 81.A O no hydrogen 2.823 N/A TYR 85.A OH ASP 694.A OD1 no hydrogen 3.262 N/A TYR 85.A OH ASP 694.A OD2 no hydrogen 2.717 N/A TYR 86.A N ALA 82.A O no hydrogen 2.871 N/A HIS 87.A NE2 GLN 672.A O no hydrogen 3.019 N/A HIS 88.A N ALA 83.A O no hydrogen 3.087 N/A VAL 93.A N PRO 89.A O no hydrogen 3.057 N/A LEU 94.A N ILE 90.A O no hydrogen 3.050 N/A PHE 95.A N GLY 91.A O no hydrogen 3.049 N/A HIS 96.A N ASP 92.A O no hydrogen 2.873 N/A ALA 97.A N VAL 93.A O no hydrogen 3.302 N/A LEU 98.A N PHE 95.A O no hydrogen 3.229 N/A LEU 102.A N PRO 99.A O no hydrogen 2.989 N/A ARG 103.A N PRO 99.A O no hydrogen 3.112 N/A ARG 103.A NE PHE 95.A O no hydrogen 2.618 N/A ARG 103.A NE LEU 98.A O no hydrogen 3.016 N/A ARG 103.A NH1 HIS 96.A O no hydrogen 2.919 N/A GLN 104.A N VAL 100.A O no hydrogen 3.173 N/A GLY 105.A N LEU 102.A O no hydrogen 3.411 N/A LYS 106.A N MET 101.A O no hydrogen 3.247 N/A TYR 115.A N ALA 175.A O no hydrogen 2.813 N/A TRP 116.A N ILE 148.A O no hydrogen 2.749 N/A PHE 117.A N GLU 173.A O no hydrogen 3.055 N/A THR 119.A N LEU 171.A O no hydrogen 3.046 N/A THR 119.A OG1 GLY 170.A O no hydrogen 2.594 N/A GLY 122.A N THR 119.A OG1 no hydrogen 3.291 N/A GLN 123.A N THR 119.A O no hydrogen 3.265 N/A VAL 124.A N GLN 121.A O no hydrogen 2.975 N/A VAL 125.A N GLN 121.A O no hydrogen 3.019 N/A SER 133.A N LEU 130.A O no hydrogen 2.990 N/A SER 133.A OG LEU 130.A O no hydrogen 3.051 N/A LYS 135.A N SER 133.A O no hydrogen 3.078 N/A ALA 139.A N LYS 135.A O no hydrogen 2.803 N/A LEU 140.A N GLN 136.A O no hydrogen 2.890 N/A ALA 141.A N GLN 137.A O no hydrogen 2.905 N/A ALA 142.A N GLN 138.A O no hydrogen 3.211 N/A LEU 143.A N ALA 139.A O no hydrogen 3.205 N/A ARG 144.A N LEU 140.A O no hydrogen 2.809 N/A ARG 144.A NE GLY 122.A O no hydrogen 2.559 N/A ARG 144.A NH2 VAL 125.A O no hydrogen 3.163 N/A GLN 145.A N ALA 142.A O no hydrogen 3.196 N/A ILE 148.A N TRP 116.A O no hydrogen 2.921 N/A ARG 150.A N TRP 114.A O no hydrogen 3.195 N/A ARG 150.A NE GLU 160.A OE2 no hydrogen 3.443 N/A ARG 150.A NH1 GLU 160.A OE1 no hydrogen 2.800 N/A GLN 152.A N TRP 149.A O no hydrogen 3.297 N/A VAL 153.A N ARG 150.A O no hydrogen 3.358 N/A GLU 155.A N GLN 152.A O no hydrogen 3.029 N/A LEU 156.A N VAL 153.A O no hydrogen 2.950 N/A ALA 162.A N ASN 159.A O no hydrogen 3.120 N/A ALA 162.A N ASN 159.A OD1 no hydrogen 3.082 N/A LEU 163.A N ASN 159.A O no hydrogen 3.135 N/A GLN 164.A N GLU 160.A O no hydrogen 2.716 N/A GLN 164.A NE2 GLU 160.A OE1 no hydrogen 3.421 N/A ALA 165.A N ALA 161.A O no hydrogen 3.308 N/A ARG 167.A N LEU 163.A O no hydrogen 2.999 N/A ARG 167.A NE GLU 173.A OE2 no hydrogen 3.556 N/A GLY 168.A N GLN 164.A O no hydrogen 3.276 N/A GLY 170.A N ARG 167.A O no hydrogen 2.957 N/A LEU 171.A N LEU 166.A O no hydrogen 2.782 N/A ALA 172.A N LEU 166.A O no hydrogen 3.165 N/A GLU 173.A N PHE 117.A O no hydrogen 3.056 N/A ALA 175.A N TYR 115.A O no hydrogen 3.126 N/A TRP 181.A NE1 GLY 290.A O no hydrogen 3.220 N/A ARG 182.A NE GLY 240.A O no hydrogen 3.216 N/A ARG 182.A NH1 GLY 290.A O no hydrogen 3.060 N/A ARG 182.A NH2 GLY 290.A O no hydrogen 2.840 N/A TYR 185.A N ARG 182.A O no hydrogen 3.469 N/A TYR 185.A OH GLU 234.A O no hydrogen 3.414 N/A ASN 195.A N GLN 198.A OE1 no hydrogen 2.963 N/A GLN 198.A NE2 SER 223.A O no hydrogen 3.209 N/A GLN 198.A NE2 GLY 224.A O no hydrogen 3.306 N/A ALA 199.A N ASN 195.A O no hydrogen 3.014 N/A THR 200.A N THR 196.A O no hydrogen 3.077 N/A THR 200.A OG1 THR 196.A O no hydrogen 3.079 N/A ALA 201.A N GLU 197.A O no hydrogen 3.060 N/A VAL 202.A N GLN 198.A O no hydrogen 3.034 N/A GLY 203.A N ALA 199.A O no hydrogen 2.774 N/A ALA 204.A N THR 200.A O no hydrogen 2.832 N/A ILE 205.A N ALA 201.A O no hydrogen 3.135 N/A HIS 206.A N VAL 202.A O no hydrogen 2.870 N/A SER 207.A N GLY 203.A O no hydrogen 2.808 N/A SER 207.A OG GLY 203.A O no hydrogen 3.166 N/A SER 207.A OG ALA 204.A O no hydrogen 2.798 N/A ALA 208.A N ILE 205.A O no hydrogen 3.413 N/A ALA 209.A N HIS 206.A O no hydrogen 3.304 N/A PHE 212.A N GLN 344.A OE1 no hydrogen 3.154 N/A TRP 215.A N ILE 347.A O no hydrogen 2.782 N/A LEU 216.A N ARG 368.A O no hydrogen 2.819 N/A LEU 217.A N LEU 349.A O no hydrogen 2.748 N/A ALA 218.A N LEU 370.A O no hydrogen 2.909 N/A SER 223.A N ILE 220.A O no hydrogen 3.244 N/A SER 223.A OG ILE 220.A O no hydrogen 2.550 N/A LYS 225.A NZ GLY 219.A O no hydrogen 2.814 N/A LYS 225.A NZ ILE 220.A O no hydrogen 3.546 N/A VAL 228.A N GLY 224.A O no hydrogen 3.366 N/A TYR 229.A N LYS 225.A O no hydrogen 3.090 N/A TYR 229.A OH ASP 315.A OD1 no hydrogen 2.851 N/A LEU 230.A N THR 226.A O no hydrogen 2.922 N/A SER 231.A N GLU 227.A O no hydrogen 3.124 N/A SER 231.A OG GLU 227.A O no hydrogen 3.178 N/A VAL 232.A N VAL 228.A O no hydrogen 2.811 N/A LEU 233.A N TYR 229.A O no hydrogen 2.920 N/A GLU 234.A N LEU 230.A O no hydrogen 3.099 N/A ASN 235.A N SER 231.A O no hydrogen 3.250 N/A VAL 236.A N VAL 232.A O no hydrogen 3.054 N/A LEU 237.A N LEU 233.A O no hydrogen 2.756 N/A ALA 238.A N GLU 234.A O no hydrogen 2.744 N/A GLN 239.A N ASN 235.A O no hydrogen 3.163 N/A GLN 239.A N VAL 236.A O no hydrogen 3.103 N/A GLN 239.A NE2 ASP 210.A OD1.A no hydrogen 3.515 N/A GLY 240.A N LEU 237.A O no hydrogen 2.944 N/A ARG 241.A N VAL 236.A O no hydrogen 3.112 N/A ARG 241.A NE ASP 308.A OD1 no hydrogen 2.739 N/A ARG 241.A NH2 ASP 308.A OD1 no hydrogen 3.132 N/A GLN 242.A N ASP 308.A O no hydrogen 2.709 N/A GLN 242.A NE2 ALA 287.A O no hydrogen 2.908 N/A GLN 242.A NE2 ALA 292.A O no hydrogen 2.748 N/A ALA 243.A N ALA 293.A O no hydrogen 2.874 N/A LEU 244.A N VAL 311.A O no hydrogen 3.129 N/A VAL 245.A N VAL 295.A O no hydrogen 2.787 N/A MET 246.A N VAL 313.A O no hydrogen 2.732 N/A VAL 247.A N GLY 297.A O no hydrogen 2.983 N/A GLY 251.A N PRO 248.A O no hydrogen 2.721 N/A THR 253.A N GLY 251.A O no hydrogen 2.861 N/A THR 253.A OG1 GLY 251.A O no hydrogen 3.518 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.839 N/A THR 256.A OG1 THR 253.A OG1 no hydrogen 2.817 N/A ILE 257.A N THR 253.A O no hydrogen 2.945 N/A ALA 258.A N PRO 254.A O no hydrogen 2.823 N/A ARG 259.A N GLN 255.A O no hydrogen 2.982 N/A ARG 259.A NH2 GLU 227.A OE1 no hydrogen 2.976 N/A PHE 260.A N THR 256.A O no hydrogen 3.196 N/A ARG 261.A N ILE 257.A O no hydrogen 2.892 N/A ARG 261.A NH1 VAL 268.A O no hydrogen 3.101 N/A GLN 262.A N ALA 258.A O no hydrogen 2.992 N/A ARG 263.A N ARG 259.A O no hydrogen 3.399 N/A ARG 263.A NH1 GLU 234.A OE2 no hydrogen 2.797 N/A PHE 264.A N PHE 260.A O no hydrogen 3.376 N/A GLU 269.A N ILE 294.A O no hydrogen 2.800 N/A LEU 271.A N ILE 296.A O no hydrogen 2.740 N/A GLY 274.A N HIS 272.A ND1 no hydrogen 3.309 N/A LEU 275.A N HIS 272.A O no hydrogen 3.365 N/A ASN 276.A N GLU 279.A OE1 no hydrogen 2.802 N/A GLU 279.A N ASN 276.A OD1 no hydrogen 2.812 N/A ARG 280.A N ASN 276.A O no hydrogen 2.938 N/A ARG 280.A NE LEU 275.A O no hydrogen 3.182 N/A LEU 281.A N ASP 277.A O no hydrogen 2.894 N/A SER 282.A N SER 278.A O no hydrogen 2.824 N/A ALA 283.A N GLU 279.A O no hydrogen 2.973 N/A TRP 284.A N ARG 280.A O no hydrogen 2.970 N/A LEU 285.A N LEU 281.A O no hydrogen 2.859 N/A LYS 286.A N SER 282.A O no hydrogen 2.917 N/A ALA 287.A N ALA 283.A O no hydrogen 3.066 N/A LYS 288.A N TRP 284.A O no hydrogen 3.033 N/A ASN 289.A N LEU 285.A O no hydrogen 2.846 N/A GLY 290.A N ALA 287.A O no hydrogen 3.166 N/A GLU 291.A N LYS 286.A O no hydrogen 2.801 N/A ALA 292.A N LYS 286.A O no hydrogen 2.975 N/A ALA 293.A N PRO 267.A O no hydrogen 3.041 N/A ILE 294.A N PRO 267.A O no hydrogen 3.287 N/A VAL 295.A N ALA 243.A O no hydrogen 2.881 N/A ILE 296.A N GLU 269.A O no hydrogen 2.788 N/A GLY 297.A N VAL 245.A O no hydrogen 2.993 N/A ARG 299.A NE SER 321.A O no hydrogen 2.860 N/A ARG 299.A NH2 SER 321.A O no hydrogen 3.334 N/A SER 301.A N THR 298.A O no hydrogen 2.782 N/A SER 301.A OG THR 298.A O no hydrogen 2.582 N/A PHE 303.A N SER 300.A O no hydrogen 2.983 N/A THR 304.A N SER 301.A O no hydrogen 3.342 N/A THR 304.A OG1 PRO 305.A O no hydrogen 3.287 N/A ASP 308.A N GLN 242.A OE1 no hydrogen 2.948 N/A GLY 310.A N GLN 242.A O no hydrogen 2.706 N/A ILE 312.A N PRO 346.A O no hydrogen 3.104 N/A VAL 313.A N LEU 244.A O no hydrogen 2.889 N/A ILE 314.A N ILE 348.A O no hydrogen 2.816 N/A ASP 315.A N MET 246.A O no hydrogen 2.768 N/A GLU 317.A N GLY 350.A O no hydrogen 2.897 N/A ASP 319.A N GLU 316.A O no hydrogen 2.817 N/A SER 321.A N ASP 319.A OD1 no hydrogen 2.695 N/A SER 321.A OG ASP 319.A OD1 no hydrogen 2.630 N/A TYR 322.A OH ASP 315.A O no hydrogen 2.584 N/A LYS 323.A N SER 320.A O no hydrogen 2.881 N/A LYS 323.A NZ ARG 329.A O no hydrogen 2.787 N/A LYS 323.A NZ ASP 692.A OD1 no hydrogen 2.915 N/A LYS 323.A NZ VAL 693.A O no hydrogen 3.079 N/A LYS 323.A NZ ASP 694.A O no hydrogen 3.297 N/A GLN 324.A N TYR 330.A O no hydrogen 3.016 N/A GLN 324.A NE2 HIS 96.A NE2 no hydrogen 3.592 N/A HIS 331.A N TYR 86.A OH no hydrogen 2.953 N/A ALA 332.A N TYR 322.A O no hydrogen 2.741 N/A ARG 333.A N HIS 331.A ND1 no hydrogen 3.278 N/A ARG 333.A NH1 GLU 317.A O no hydrogen 3.303 N/A ARG 333.A NH2 GLU 357.A OE1 no hydrogen 3.017 N/A LEU 335.A N HIS 331.A O no hydrogen 3.181 N/A ALA 336.A N ALA 332.A O no hydrogen 2.893 N/A VAL 337.A N ARG 333.A O no hydrogen 2.950 N/A TRP 338.A N ASP 334.A O no hydrogen 2.869 N/A ARG 339.A N LEU 335.A O no hydrogen 2.685 N/A ARG 339.A NE GLU 343.A OE1 no hydrogen 2.700 N/A ARG 339.A NH1 LEU 302.A O no hydrogen 2.684 N/A ARG 339.A NH1 THR 304.A O no hydrogen 2.865 N/A ARG 339.A NH2 THR 304.A O no hydrogen 3.096 N/A ARG 339.A NH2 GLU 343.A OE1 no hydrogen 3.244 N/A ALA 340.A N ALA 336.A O no hydrogen 2.775 N/A HIS 341.A N VAL 337.A O no hydrogen 2.998 N/A SER 342.A N TRP 338.A O no hydrogen 3.124 N/A SER 342.A OG ARG 339.A O no hydrogen 3.145 N/A GLU 343.A N ARG 339.A O no hydrogen 3.049 N/A GLN 344.A N HIS 341.A O no hydrogen 3.046 N/A GLN 344.A NE2 HIS 341.A O no hydrogen 3.096 N/A ILE 345.A N ALA 340.A O no hydrogen 2.906 N/A ILE 347.A N SER 213.A O no hydrogen 3.058 N/A ILE 348.A N ILE 312.A O no hydrogen 2.762 N/A LEU 349.A N TRP 215.A O no hydrogen 2.727 N/A GLY 350.A N ILE 314.A O no hydrogen 2.877 N/A SER 351.A N LEU 217.A O no hydrogen 3.244 N/A SER 351.A OG HIS 318.A ND1 no hydrogen 2.897 N/A THR 353.A N SER 351.A OG no hydrogen 2.856 N/A THR 353.A OG1 THR 353.A O no hydrogen 2.631 N/A ALA 355.A N GLU 317.A OE1 no hydrogen 3.400 N/A LEU 356.A N GLU 550.A OE1 no hydrogen 2.845 N/A GLU 357.A N GLU 357.A OE2 no hydrogen 2.667 N/A THR 358.A N ALA 355.A O no hydrogen 3.029 N/A THR 358.A OG1 GLU 317.A OE2 no hydrogen 2.379 N/A LEU 359.A N ALA 355.A O no hydrogen 3.030 N/A HIS 360.A N LEU 356.A O no hydrogen 2.900 N/A ASN 361.A N GLU 357.A O no hydrogen 3.128 N/A VAL 362.A N THR 358.A O no hydrogen 3.056 N/A ARG 363.A N LEU 359.A O no hydrogen 2.988 N/A GLN 364.A N HIS 360.A O no hydrogen 2.900 N/A TYR 367.A N ASN 361.A O no hydrogen 2.962 N/A ARG 368.A N ALA 214.A O no hydrogen 2.942 N/A LEU 370.A N LEU 216.A O no hydrogen 2.889 N/A THR 371.A OG1 ALA 218.A O no hydrogen 3.474 N/A LEU 372.A N ALA 218.A O no hydrogen 2.849 N/A SER 373.A N GLU 197.A OE1 no hydrogen 2.642 N/A GLN 377.A N GLN 569.A OE1 no hydrogen 3.369 N/A GLN 377.A N GLY 570.A O no hydrogen 3.377 N/A GLN 378.A NE2 LEU 588.A O no hydrogen 2.743 N/A HIS 379.A N VAL 572.A O no hydrogen 2.850 N/A LEU 381.A N LEU 574.A O no hydrogen 2.744 N/A LEU 383.A N THR 576.A O no hydrogen 2.975 N/A LYS 384.A NZ ASP 382.A OD1 no hydrogen 2.846 N/A LYS 384.A NZ ASP 382.A OD2 no hydrogen 3.078 N/A LYS 384.A NZ HIS 577.A O no hydrogen 3.240 N/A GLY 385.A N HIS 426.A O no hydrogen 2.988 N/A GLN 386.A N LEU 383.A O no hydrogen 2.897 N/A GLN 389.A N LEU 392.A O no hydrogen 2.975 N/A LEU 392.A N GLN 389.A O no hydrogen 2.854 N/A SER 393.A N GLN 575.A OE1 no hydrogen 2.855 N/A SER 393.A OG GLN 575.A OE1 no hydrogen 2.703 N/A LEU 396.A N SER 393.A OG no hydrogen 3.382 N/A ILE 397.A N SER 393.A O no hydrogen 3.031 N/A SER 398.A N PRO 394.A O no hydrogen 2.870 N/A ARG 399.A N ALA 395.A O no hydrogen 3.142 N/A MET 400.A N LEU 396.A O no hydrogen 2.718 N/A ARG 401.A N ILE 397.A O no hydrogen 2.951 N/A ARG 401.A NH2 LEU 490.A O no hydrogen 2.372 N/A GLN 402.A N SER 398.A O no hydrogen 3.444 N/A HIS 403.A N ARG 399.A O no hydrogen 3.274 N/A HIS 403.A N MET 400.A O no hydrogen 3.128 N/A HIS 403.A ND1 THR 530.A OG1 no hydrogen 2.811 N/A HIS 403.A NE2 GLU 571.A OE2 no hydrogen 2.790 N/A LEU 404.A N MET 400.A O no hydrogen 2.913 N/A GLN 405.A N ARG 401.A O no hydrogen 2.880 N/A ASP 407.A N LEU 404.A O no hydrogen 2.913 N/A ASN 408.A N HIS 403.A O no hydrogen 3.069 N/A GLN 409.A N ASP 528.A O no hydrogen 2.840 N/A VAL 410.A N ARG 512.A O no hydrogen 2.980 N/A ILE 411.A N LEU 531.A O no hydrogen 2.952 N/A LEU 412.A N LEU 514.A O no hydrogen 2.768 N/A PHE 413.A N SER 533.A O no hydrogen 2.885 N/A LEU 414.A N GLY 516.A O no hydrogen 2.973 N/A ALA 422.A N VAL 476.A O no hydrogen 3.317 N/A LEU 424.A N VAL 474.A O no hydrogen 3.106 N/A CYS 425.A N TRP 430.A O no hydrogen 2.810 N/A HIS 426.A N HIS 472.A O no hydrogen 2.932 N/A HIS 426.A ND1 HIS 577.A NE2 no hydrogen 3.019 N/A HIS 426.A NE2 GLN 386.A O no hydrogen 2.516 N/A GLY 429.A N CYS 425.A O no hydrogen 2.902 N/A ALA 432.A N LEU 423.A O no hydrogen 3.083 N/A CYS 434.A N SER 439.A O no hydrogen 2.725 N/A CYS 434.A SG SER 457.A OG no hydrogen 3.368 N/A CYS 437.A SG SER 439.A OG no hydrogen 3.323 N/A CYS 437.A SG HIS 454.A ND1 no hydrogen 3.915 N/A SER 439.A OG ASP 438.A O no hydrogen 3.025 N/A TYR 441.A N ALA 432.A O no hydrogen 2.790 N/A TYR 441.A OH SER 457.A OG no hydrogen 3.255 N/A THR 442.A N ARG 451.A O no hydrogen 2.840 N/A LEU 443.A N PRO 421.A O no hydrogen 2.777 N/A HIS 444.A N HIS 449.A O no hydrogen 2.985 N/A GLN 447.A N HIS 444.A O no hydrogen 3.003 N/A HIS 448.A N GLN 445.A O no hydrogen 3.388 N/A HIS 449.A N HIS 444.A O no hydrogen 3.199 N/A HIS 449.A ND1 GLN 447.A O no hydrogen 3.302 N/A LEU 450.A N ARG 459.A O no hydrogen 2.733 N/A ARG 451.A N THR 442.A O no hydrogen 2.909 N/A ARG 451.A NE ASP 456.A OD1 no hydrogen 2.809 N/A ARG 451.A NH2 ASP 456.A OD1 no hydrogen 2.700 N/A ARG 451.A NH2 ASP 456.A OD2 no hydrogen 3.139 N/A CYS 452.A N SER 457.A O no hydrogen 3.380 N/A CYS 452.A SG CYS 455.A O no hydrogen 3.566 N/A SER 457.A OG TYR 441.A OH no hydrogen 3.255 N/A ARG 459.A N LEU 450.A O no hydrogen 3.223 N/A CYS 465.A N SER 470.A O no hydrogen 2.727 N/A GLY 469.A N CYS 465.A O no hydrogen 2.921 N/A SER 470.A OG ASP 427.A OD2 no hydrogen 2.545 N/A HIS 472.A N SER 470.A OG no hydrogen 3.012 N/A LEU 473.A N THR 471.A O no hydrogen 2.799 N/A VAL 474.A N LEU 424.A O no hydrogen 2.815 N/A VAL 476.A N ALA 422.A O no hydrogen 2.946 N/A GLN 482.A N THR 480.A O no hydrogen 2.723 N/A GLN 485.A N GLN 482.A O no hydrogen 3.080 N/A ALA 486.A N LEU 483.A O no hydrogen 3.016 N/A LEU 487.A N LEU 483.A O no hydrogen 2.810 N/A ALA 488.A N GLU 484.A O no hydrogen 2.841 N/A PHE 491.A N LEU 487.A O no hydrogen 2.727 N/A VAL 494.A N PHE 491.A O no hydrogen 3.447 N/A SER 497.A N ILE 513.A O no hydrogen 3.250 N/A ARG 498.A NE GLU 484.A OE2 no hydrogen 3.568 N/A ARG 498.A NH2 GLU 484.A OE1 no hydrogen 3.148 N/A ILE 499.A N ILE 515.A O no hydrogen 2.782 N/A HIS 507.A N ALA 504.A O no hydrogen 3.193 N/A GLY 509.A N VAL 506.A O no hydrogen 3.390 N/A ALA 511.A N ASP 407.A OD1 no hydrogen 3.369 N/A ARG 512.A NH1 SER 497.A OG no hydrogen 3.183 N/A ILE 513.A N PRO 495.A O no hydrogen 3.177 N/A LEU 514.A N VAL 410.A O no hydrogen 2.703 N/A ILE 515.A N SER 497.A O no hydrogen 2.924 N/A GLY 516.A N LEU 412.A O no hydrogen 2.971 N/A THR 517.A N ASP 500.A OD1 no hydrogen 2.965 N/A THR 517.A OG1 ASP 500.A OD1 no hydrogen 3.008 N/A THR 517.A OG1 ASP 500.A OD2 no hydrogen 2.659 N/A GLN 518.A N ASP 500.A OD1 no hydrogen 3.422 N/A LEU 520.A N GLN 558.A OE1 no hydrogen 2.908 N/A LYS 522.A NZ ASP 315.A OD1 no hydrogen 3.042 N/A LYS 522.A NZ ASP 315.A OD2 no hydrogen 2.864 N/A HIS 524.A N ALA 521.A O no hydrogen 3.274 N/A VAL 529.A N PHE 526.A O no hydrogen 3.271 N/A THR 530.A N GLN 409.A O no hydrogen 3.141 N/A THR 530.A OG1 HIS 403.A ND1 no hydrogen 2.811 N/A VAL 532.A N GLU 571.A O no hydrogen 2.764 N/A SER 533.A N ILE 411.A O no hydrogen 2.824 N/A SER 533.A OG ILE 573.A O no hydrogen 3.241 N/A LEU 534.A N ILE 573.A O no hydrogen 3.024 N/A LEU 535.A N PHE 413.A O no hydrogen 2.934 N/A ALA 540.A N VAL 537.A O no hydrogen 3.180 N/A LEU 541.A N VAL 537.A O no hydrogen 3.037 N/A PHE 542.A N ASP 538.A O no hydrogen 2.894 N/A SER 543.A OG ASP 545.A O no hydrogen 3.523 N/A SER 543.A OG SER 548.A OG no hydrogen 3.080 N/A ASP 545.A N SER 543.A OG no hydrogen 2.963 N/A ARG 547.A N ASP 545.A OD1 no hydrogen 3.088 N/A SER 548.A N ASP 545.A O no hydrogen 3.376 N/A SER 548.A OG SER 543.A OG no hydrogen 3.080 N/A ARG 551.A N ARG 547.A O no hydrogen 3.122 N/A ARG 551.A NH1 ASP 545.A OD2 no hydrogen 3.395 N/A ARG 551.A NH2 ASP 545.A OD2 no hydrogen 2.595 N/A ARG 551.A NH2 ILE 696.A O no hydrogen 3.095 N/A PHE 552.A N SER 548.A O no hydrogen 3.033 N/A ALA 553.A N ALA 549.A O no hydrogen 2.821 N/A GLN 554.A N GLU 550.A O no hydrogen 2.987 N/A GLN 554.A NE2 THR 353.A O no hydrogen 3.593 N/A GLN 554.A NE2 TYR 592.A OH no hydrogen 3.166 N/A LEU 555.A N ARG 551.A O no hydrogen 2.917 N/A TYR 556.A N PHE 552.A O no hydrogen 2.711 N/A TYR 556.A OH GLN 378.A OE1 no hydrogen 2.437 N/A THR 557.A N ALA 553.A O no hydrogen 3.019 N/A THR 557.A OG1 ALA 553.A O no hydrogen 2.638 N/A GLN 558.A N GLN 554.A O no hydrogen 2.885 N/A GLN 558.A NE2 LEU 520.A O no hydrogen 2.575 N/A VAL 559.A N LEU 555.A O no hydrogen 3.033 N/A GLY 561.A N GLN 558.A O no hydrogen 3.143 N/A ARG 562.A NE HIS 524.A O no hydrogen 3.462 N/A GLY 564.A N ARG 562.A O no hydrogen 2.939 N/A ARG 565.A NH1 THR 221.A O no hydrogen 3.182 N/A GLY 567.A N ARG 565.A O no hydrogen 2.605 N/A LYS 568.A N GLY 564.A O no hydrogen 3.354 N/A LYS 568.A NZ ASN 408.A OD1 no hydrogen 3.474 N/A GLN 569.A NE2 PRO 375.A O no hydrogen 3.560 N/A GLU 571.A N THR 530.A O no hydrogen 2.787 N/A VAL 572.A N GLN 377.A O no hydrogen 2.975 N/A ILE 573.A N VAL 532.A O no hydrogen 2.898 N/A LEU 574.A N HIS 379.A O no hydrogen 2.875 N/A GLN 575.A N LEU 534.A O no hydrogen 3.528 N/A GLN 575.A NE2 GLY 391.A O no hydrogen 2.878 N/A THR 576.A N LEU 381.A O no hydrogen 3.017 N/A THR 576.A OG1 ASP 538.A OD1 no hydrogen 2.599 N/A HIS 577.A N ASP 538.A OD1 no hydrogen 3.228 N/A HIS 577.A N ASP 538.A OD2 no hydrogen 3.191 N/A HIS 577.A ND1 ASP 538.A OD2 no hydrogen 2.469 N/A HIS 577.A NE2 HIS 426.A ND1 no hydrogen 3.019 N/A HIS 578.A N THR 576.A OG1 no hydrogen 3.077 N/A HIS 578.A NE2 GLY 429.A O no hydrogen 2.667 N/A HIS 581.A N HIS 578.A O no hydrogen 3.198 N/A GLN 585.A N HIS 581.A O no hydrogen 2.911 N/A THR 586.A N PRO 582.A O no hydrogen 3.027 N/A THR 586.A OG1 PRO 582.A O no hydrogen 3.116 N/A THR 586.A OG1 GLN 598.A OE1 no hydrogen 2.760 N/A LEU 587.A N LEU 583.A O no hydrogen 3.142 N/A LEU 588.A N LEU 584.A O no hydrogen 2.983 N/A TYR 589.A N GLN 585.A O no hydrogen 3.101 N/A LYS 590.A N THR 586.A O no hydrogen 2.874 N/A GLY 591.A N THR 586.A O no hydrogen 3.254 N/A GLY 591.A N LEU 587.A O no hydrogen 3.216 N/A TYR 592.A OH PRO 354.A O no hydrogen 2.672 N/A PHE 595.A N GLY 591.A O no hydrogen 3.145 N/A ALA 596.A N TYR 592.A O no hydrogen 2.775 N/A GLU 597.A N ASP 593.A O no hydrogen 3.028 N/A GLN 598.A N ALA 594.A O no hydrogen 3.264 N/A ALA 599.A N PHE 595.A O no hydrogen 2.714 N/A LEU 600.A N ALA 596.A O no hydrogen 2.787 N/A ALA 601.A N GLU 597.A O no hydrogen 3.209 N/A GLU 602.A N GLN 598.A O no hydrogen 3.087 N/A ARG 603.A N ALA 599.A O no hydrogen 2.969 N/A ARG 603.A NH1 PRO 609.A O no hydrogen 2.805 N/A ARG 603.A NH2 PHE 546.A O no hydrogen 3.523 N/A ARG 603.A NH2 GLU 550.A OE2 no hydrogen 2.945 N/A GLN 604.A N LEU 600.A O no hydrogen 3.223 N/A THR 605.A N ALA 601.A O no hydrogen 3.219 N/A THR 605.A OG1 ALA 601.A O no hydrogen 3.331 N/A MET 606.A N GLU 602.A O no hydrogen 3.069 N/A GLN 607.A N GLN 604.A O no hydrogen 3.042 N/A GLN 607.A NE2 GLN 604.A O no hydrogen 2.825 N/A LEU 608.A N ARG 603.A O no hydrogen 2.693 N/A TRP 611.A N LEU 608.A O no hydrogen 2.846 N/A TRP 611.A NE1 LEU 600.A O no hydrogen 2.880 N/A THR 612.A OG1 GLN 607.A O no hydrogen 2.850 N/A SER 613.A N HIS 665.A O no hydrogen 2.866 N/A VAL 615.A N LEU 663.A O no hydrogen 3.091 N/A LEU 616.A N ASP 692.A O no hydrogen 2.811 N/A ILE 617.A N ILE 661.A O no hydrogen 3.123 N/A ARG 618.A N VAL 690.A O no hydrogen 3.006 N/A ALA 619.A N TRP 659.A O no hydrogen 2.840 N/A ASN 623.A N ASP 621.A OD1 no hydrogen 3.208 N/A ASN 624.A N ASP 621.A O no hydrogen 3.167 N/A GLN 625.A N ASN 623.A O no hydrogen 2.132 N/A GLN 626.A N GLN 625.A OE1 no hydrogen 2.876 N/A ALA 627.A N GLN 625.A O no hydrogen 2.368 N/A PHE 630.A N GLN 626.A O no hydrogen 3.183 N/A LEU 631.A N ALA 627.A O no hydrogen 3.381 N/A GLN 632.A N PRO 628.A O no hydrogen 2.969 N/A GLN 633.A N LEU 629.A O no hydrogen 2.954 N/A LEU 634.A N PHE 630.A O no hydrogen 3.067 N/A ARG 635.A N LEU 631.A O no hydrogen 2.891 N/A ARG 635.A NH2 VAL 650.A O no hydrogen 3.134 N/A ASN 636.A N GLN 632.A O no hydrogen 3.390 N/A LEU 637.A N GLN 633.A O no hydrogen 3.238 N/A LEU 638.A N LEU 634.A O no hydrogen 3.177 N/A LEU 638.A N ARG 635.A O no hydrogen 3.090 N/A SER 641.A OG LEU 638.A O no hydrogen 2.919 N/A LYS 647.A N ALA 644.A O no hydrogen 3.427 N/A TRP 649.A N GLN 664.A O no hydrogen 2.972 N/A LEU 651.A N LEU 662.A O no hydrogen 2.898 N/A VAL 654.A N GLN 660.A O no hydrogen 3.087 N/A ALA 656.A N ARG 658.A O no hydrogen 3.168 N/A TRP 659.A N ALA 619.A O no hydrogen 2.920 N/A GLN 660.A N VAL 654.A O no hydrogen 3.071 N/A ILE 661.A N ILE 617.A O no hydrogen 3.046 N/A LEU 662.A N LEU 651.A O no hydrogen 3.394 N/A LEU 663.A N VAL 615.A O no hydrogen 2.970 N/A GLN 664.A N TRP 649.A O no hydrogen 2.922 N/A GLN 664.A NE2 HIS 614.A NE2 no hydrogen 3.153 N/A HIS 665.A N SER 613.A O no hydrogen 3.266 N/A HIS 665.A NE2 ASP 645.A OD2 no hydrogen 2.702 N/A SER 667.A N HIS 665.A ND1 no hydrogen 2.873 N/A ARG 668.A NH1 TYR 85.A OH no hydrogen 2.895 N/A ARG 670.A N SER 667.A OG no hydrogen 3.367 N/A LEU 671.A N SER 667.A O no hydrogen 3.303 N/A GLN 672.A N ARG 668.A O no hydrogen 3.155 N/A HIS 673.A N VAL 669.A O no hydrogen 3.203 N/A ILE 674.A N ARG 670.A O no hydrogen 2.971 N/A VAL 675.A N LEU 671.A O no hydrogen 3.148 N/A SER 676.A N GLN 672.A O no hydrogen 2.835 N/A GLY 677.A N HIS 673.A O no hydrogen 2.958 N/A THR 678.A N ILE 674.A O no hydrogen 3.200 N/A LEU 679.A N VAL 675.A O no hydrogen 3.049 N/A ALA 680.A N SER 676.A O no hydrogen 3.150 N/A VAL 690.A N ARG 618.A O no hydrogen 3.062 N/A ASP 692.A N LEU 616.A O no hydrogen 2.805 N/A ASP 694.A N HIS 614.A O no hydrogen 2.922 N/A GLY 698.A N ILE 696.A O no hydrogen 2.647 N/A