Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1e7p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ALA 206.A O no hydrogen 2.845 N/A TYR 5.A OH ASP 7.A OD2 no hydrogen 2.648 N/A CYS 6.A N VAL 208.A O no hydrogen 3.284 N/A CYS 6.A SG VAL 208.A O no hydrogen 4.034 N/A ASP 7.A N SER 30.A OG no hydrogen 2.984 N/A SER 8.A N SER 30.A O no hydrogen 3.189 N/A ILE 11.A N LEU 213.A O no hydrogen 2.701 N/A GLY 12.A N LEU 34.A O no hydrogen 3.360 N/A ARG 19.A N LEU 15.A O no hydrogen 3.503 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 3.115 N/A ARG 19.A NH2 GLU 99.A OE1 no hydrogen 2.494 N/A ALA 20.A N ALA 16.A O no hydrogen 3.126 N/A ALA 21.A N GLY 17.A O no hydrogen 3.336 N/A VAL 22.A N LEU 18.A O no hydrogen 3.072 N/A VAL 22.A N ARG 19.A O no hydrogen 2.853 N/A ALA 23.A N ARG 19.A O no hydrogen 3.275 N/A THR 24.A OG1 ALA 21.A O no hydrogen 3.070 N/A GLN 25.A N ALA 21.A O no hydrogen 3.119 N/A GLN 26.A N VAL 22.A O no hydrogen 3.161 N/A LYS 27.A N THR 24.A O no hydrogen 2.943 N/A LYS 27.A NZ GLU 422.A OE1 no hydrogen 2.845 N/A LYS 27.A NZ GLU 422.A OE2 no hydrogen 2.971 N/A THR 31.A N GLN 25.A OE1 no hydrogen 2.988 N/A ILE 32.A N SER 8.A O no hydrogen 3.446 N/A SER 35.A OG ILE 37.A O no hydrogen 2.599 N/A LYS 40.A NZ ASN 166.A OD1 no hydrogen 2.927 N/A ARG 41.A N PRO 38.A O no hydrogen 3.049 N/A SER 42.A N VAL 39.A O no hydrogen 2.658 N/A SER 42.A OG GLY 13.A O no hydrogen 3.232 N/A SER 42.A OG VAL 39.A O no hydrogen 2.894 N/A ALA 46.A N HIS 43.A O no hydrogen 3.336 N/A MET 51.A N CYS 150.A O no hydrogen 3.047 N/A GLN 52.A N GLY 407.A O no hydrogen 2.631 N/A GLN 52.A NE2 THR 149.A OG1 no hydrogen 3.272 N/A ALA 53.A N ARG 148.A O no hydrogen 3.029 N/A LEU 55.A N ALA 53.A O no hydrogen 2.378 N/A LYS 59.A N GLU 128.A OE2 no hydrogen 2.863 N/A LYS 59.A NZ THR 127.A O no hydrogen 2.540 N/A MET 60.A N SER 58.A OG no hydrogen 3.325 N/A SER 61.A OG SER 138.A OG no hydrogen 2.548 N/A SER 61.A OG TRP 147.A O no hydrogen 2.430 N/A ASP 64.A N SER 61.A O no hydrogen 3.014 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.602 N/A LEU 68.A N ASN 65.A OD1 no hydrogen 3.109 N/A HIS 69.A N ASN 65.A O no hydrogen 3.003 N/A PHE 70.A N GLU 66.A O no hydrogen 2.463 N/A MET 71.A N ASP 67.A O no hydrogen 2.779 N/A ASP 72.A N LEU 68.A O no hydrogen 2.775 N/A THR 73.A N HIS 69.A O no hydrogen 2.841 N/A THR 73.A OG1 HIS 69.A O no hydrogen 2.899 N/A VAL 74.A N PHE 70.A O no hydrogen 2.900 N/A LYS 75.A N MET 71.A O no hydrogen 2.766 N/A LYS 75.A NZ TYR 594.A O no hydrogen 3.452 N/A GLY 76.A N ASP 72.A O no hydrogen 3.313 N/A SER 77.A N THR 73.A O no hydrogen 2.912 N/A SER 77.A N VAL 74.A O no hydrogen 3.036 N/A SER 77.A OG VAL 74.A O no hydrogen 2.282 N/A ASP 78.A N LYS 75.A O no hydrogen 3.269 N/A TRP 79.A N SER 77.A OG no hydrogen 3.292 N/A TRP 79.A NE1 ILE 590.A O no hydrogen 2.879 N/A CYS 81.A SG SER 77.A OG no hydrogen 3.503 N/A ASP 82.A N ASP 398.A O no hydrogen 3.176 N/A GLN 83.A NE2 ILE 590.A O no hydrogen 2.808 N/A LYS 84.A NZ GLU 587.A OE1 no hydrogen 3.427 N/A VAL 85.A N ASP 82.A O no hydrogen 2.888 N/A ALA 86.A N ASP 82.A O no hydrogen 3.199 N/A ARG 87.A N GLN 83.A O no hydrogen 3.087 N/A ARG 87.A NE GLU 589.A OE2 no hydrogen 3.393 N/A ARG 87.A NH2 ASP 67.A OD1 no hydrogen 2.633 N/A ARG 87.A NH2 GLU 589.A OE1 no hydrogen 3.109 N/A MET 88.A N LYS 84.A O no hydrogen 3.133 N/A PHE 89.A N VAL 85.A O no hydrogen 2.882 N/A VAL 90.A N ALA 86.A O no hydrogen 3.282 N/A ASN 91.A N ARG 87.A O no hydrogen 3.377 N/A THR 92.A N PHE 89.A O no hydrogen 2.456 N/A THR 92.A OG1 MET 88.A O no hydrogen 3.041 N/A ALA 93.A N PHE 89.A O no hydrogen 3.086 N/A LYS 95.A NZ ASN 91.A O no hydrogen 2.856 N/A LYS 95.A NZ ALA 648.A O no hydrogen 2.845 N/A LYS 95.A NZ ASN 650.A OD1 no hydrogen 2.603 N/A ALA 96.A N ALA 93.A O no hydrogen 2.723 N/A ILE 97.A N ALA 93.A O no hydrogen 2.747 N/A ARG 98.A N PRO 94.A O no hydrogen 3.174 N/A GLU 99.A N LYS 95.A O no hydrogen 3.439 N/A LEU 100.A N ALA 96.A O no hydrogen 3.120 N/A ALA 101.A N ILE 97.A O no hydrogen 3.155 N/A ALA 102.A N ARG 98.A O no hydrogen 3.080 N/A ALA 102.A N GLU 99.A O no hydrogen 2.881 N/A TRP 103.A N LEU 100.A O no hydrogen 2.627 N/A THR 108.A N TYR 151.A O no hydrogen 2.804 N/A THR 108.A OG1 TYR 151.A O no hydrogen 3.547 N/A ARG 109.A NE GLY 134.A O no hydrogen 3.342 N/A ILE 110.A N LEU 135.A O no hydrogen 2.956 N/A LYS 112.A N HIS 133.A ND1 no hydrogen 2.890 N/A GLY 113.A N GLU 128.A O no hydrogen 3.495 N/A ARG 115.A N ILE 126.A O no hydrogen 2.507 N/A LYS 123.A NZ HIS 337.A NE2 no hydrogen 3.264 N/A THR 124.A N ALA 117.A O no hydrogen 3.060 N/A THR 127.A OG1 ASP 114.A OD1 no hydrogen 3.147 N/A GLU 128.A N GLY 113.A O no hydrogen 2.954 N/A ARG 132.A NE GLU 129.A OE1 no hydrogen 3.057 N/A ARG 132.A NH2 ASP 62.A OD2 no hydrogen 2.555 N/A ARG 132.A NH2 GLU 129.A OE1 no hydrogen 3.406 N/A GLY 134.A N ILE 110.A O no hydrogen 2.850 N/A LEU 135.A N ARG 132.A O no hydrogen 3.200 N/A HIS 137.A N THR 108.A O no hydrogen 3.245 N/A HIS 137.A ND1 SER 138.A O no hydrogen 3.187 N/A SER 138.A N HIS 137.A ND1 no hydrogen 2.734 N/A SER 138.A OG SER 61.A OG no hydrogen 2.548 N/A ARG 139.A N THR 149.A O no hydrogen 2.668 N/A ARG 139.A NH1 ASP 275.A OD1 no hydrogen 3.057 N/A ARG 139.A NH1 ASN 341.A O no hydrogen 3.392 N/A THR 144.A OG1 ASP 140.A OD1 no hydrogen 3.463 N/A THR 144.A OG1 PHE 141.A O no hydrogen 3.512 N/A THR 144.A OG1 LYS 146.A O no hydrogen 2.931 N/A LYS 145.A N ASP 72.A OD2 no hydrogen 3.407 N/A LYS 146.A NZ ASP 62.A O no hydrogen 3.048 N/A ARG 148.A NE ASP 64.A OD2 no hydrogen 3.369 N/A ARG 148.A NH1 ASP 72.A OD2 no hydrogen 3.026 N/A ARG 148.A NH2 ASP 64.A OD2 no hydrogen 3.284 N/A CYS 150.A N MET 51.A O no hydrogen 2.603 N/A CYS 150.A SG HIS 137.A O no hydrogen 3.507 N/A THR 152.A N THR 156.A OG1 no hydrogen 3.391 N/A THR 152.A OG1 THR 152.A O no hydrogen 2.513 N/A THR 152.A OG1 THR 159.A OG1 no hydrogen 3.347 N/A ALA 153.A N THR 108.A OG1 no hydrogen 3.339 N/A THR 156.A OG1 GLN 48.A O no hydrogen 3.367 N/A GLY 157.A N ALA 47.A O no hydrogen 3.175 N/A THR 159.A OG1 THR 152.A OG1 no hydrogen 3.347 N/A THR 159.A OG1 THR 156.A O no hydrogen 3.459 N/A LEU 161.A N GLY 157.A O no hydrogen 3.049 N/A PHE 162.A N HIS 158.A O no hydrogen 3.160 N/A ALA 163.A N THR 159.A O no hydrogen 3.384 N/A VAL 164.A N MET 160.A O no hydrogen 2.947 N/A ALA 165.A N LEU 161.A O no hydrogen 2.883 N/A ASN 166.A N PHE 162.A O no hydrogen 2.760 N/A CYS 168.A N VAL 164.A O no hydrogen 3.119 N/A CYS 168.A SG LEU 18.A O no hydrogen 3.898 N/A CYS 168.A SG VAL 164.A O no hydrogen 3.963 N/A LEU 169.A N ALA 165.A O no hydrogen 3.213 N/A LYS 170.A N ASN 166.A O no hydrogen 3.156 N/A LYS 170.A N GLU 167.A O no hydrogen 2.770 N/A LYS 170.A NZ GLU 167.A OE1 no hydrogen 2.779 N/A LYS 170.A NZ GLU 167.A OE2 no hydrogen 2.856 N/A LEU 171.A N GLU 167.A O no hydrogen 3.101 N/A LEU 171.A N CYS 168.A O no hydrogen 2.840 N/A GLY 172.A N CYS 168.A O no hydrogen 3.027 N/A VAL 173.A N CYS 168.A O no hydrogen 3.253 N/A GLN 176.A N VAL 33.A O no hydrogen 3.113 N/A ARG 178.A N LEU 36.A O no hydrogen 3.019 N/A LYS 179.A N SER 35.A O no hydrogen 3.317 N/A LYS 179.A NZ ASP 198.A OD2 no hydrogen 3.026 N/A GLU 180.A N ARG 197.A O no hydrogen 3.375 N/A ILE 182.A N VAL 195.A O no hydrogen 2.978 N/A ILE 185.A N GLY 193.A O no hydrogen 3.010 N/A GLN 187.A N LYS 190.A O no hydrogen 3.133 N/A GLN 187.A NE2 ASP 188.A OD2 no hydrogen 3.225 N/A GLN 187.A NE2 GLU 436.A OE2 no hydrogen 2.964 N/A CYS 191.A N LYS 386.A O no hydrogen 3.388 N/A CYS 191.A SG GLY 193.A O no hydrogen 3.685 N/A TYR 192.A N ILE 185.A O no hydrogen 2.735 N/A ALA 194.A N TYR 207.A O no hydrogen 2.696 N/A VAL 195.A N ALA 183.A O no hydrogen 2.766 N/A VAL 196.A N ILE 205.A O no hydrogen 2.807 N/A ARG 197.A N GLU 180.A O no hydrogen 2.813 N/A ASP 198.A N ASP 203.A O no hydrogen 3.220 N/A VAL 200.A N ASP 198.A OD1 no hydrogen 3.223 N/A THR 201.A OG1 ASP 203.A OD2 no hydrogen 2.886 N/A GLY 202.A N ASP 198.A O no hydrogen 2.656 N/A ILE 205.A N VAL 196.A O no hydrogen 2.835 N/A ALA 206.A N LYS 2.A O no hydrogen 3.060 N/A TYR 207.A N ALA 194.A O no hydrogen 2.773 N/A TYR 207.A OH GLN 176.A OE1 no hydrogen 2.525 N/A VAL 208.A N GLN 4.A O no hydrogen 3.139 N/A ALA 209.A N TYR 192.A O no hydrogen 2.683 N/A LYS 210.A NZ CYS 428.A O no hydrogen 3.505 N/A LYS 210.A NZ THR 431.A O no hydrogen 3.251 N/A LYS 210.A NZ GLN 432.A OE1 no hydrogen 3.171 N/A THR 212.A OG1 GLY 211.A O no hydrogen 2.472 N/A ILE 214.A N PHE 389.A O no hydrogen 3.100 N/A ALA 215.A N ILE 11.A O no hydrogen 2.972 N/A GLY 218.A N GLU 393.A OE1 no hydrogen 3.042 N/A TYR 219.A N SER 371.A OG no hydrogen 3.096 N/A TYR 219.A OH MET 251.A O no hydrogen 2.915 N/A ARG 221.A N CYS 232.A O no hydrogen 3.218 N/A ARG 221.A NE ASN 228.A O no hydrogen 3.163 N/A ARG 221.A NE ALA 229.A O no hydrogen 3.494 N/A ARG 221.A NH2 ASN 228.A O no hydrogen 3.142 N/A ILE 222.A N TYR 219.A O no hydrogen 2.989 N/A TYR 223.A N GLY 220.A O no hydrogen 3.208 N/A LYS 224.A NZ ASN 225.A OD1 no hydrogen 3.169 N/A ASN 225.A N ASP 475.A OD2 no hydrogen 3.247 N/A THR 227.A N GLN 368.A O no hydrogen 3.137 N/A THR 227.A OG1 GLN 368.A O no hydrogen 3.532 N/A THR 227.A OG1 HIS 369.A ND1 no hydrogen 3.055 N/A ASN 228.A N THR 226.A OG1 no hydrogen 2.895 N/A ASN 228.A ND2 HIS 369.A O no hydrogen 2.826 N/A CYS 232.A N ALA 229.A O no hydrogen 3.227 N/A ALA 238.A N GLY 234.A O no hydrogen 2.881 N/A ILE 239.A N THR 235.A O no hydrogen 2.989 N/A ALA 240.A N THR 237.A O no hydrogen 3.232 N/A LEU 241.A N ALA 238.A O no hydrogen 3.265 N/A GLU 242.A N ALA 238.A O no hydrogen 2.976 N/A THR 243.A OG1 ALA 240.A O no hydrogen 2.940 N/A GLY 244.A N LEU 241.A O no hydrogen 3.120 N/A ILE 245.A N THR 243.A OG1 no hydrogen 3.334 N/A LEU 248.A N ALA 566.A O no hydrogen 2.780 N/A GLY 249.A N GLY 374.A O no hydrogen 3.125 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.928 N/A ALA 253.A N ASN 250.A O no hydrogen 2.888 N/A GLN 255.A N TYR 370.A O no hydrogen 3.276 N/A GLN 255.A NE2 ARG 404.A O no hydrogen 2.871 N/A HIS 257.A N MET 367.A O no hydrogen 2.893 N/A THR 259.A OG1 LEU 268.A O no hydrogen 3.080 N/A SER 264.A OG LEU 261.A O no hydrogen 3.180 N/A GLY 265.A N LEU 261.A O no hydrogen 2.904 N/A ILE 266.A N SER 264.A OG no hydrogen 3.083 N/A GLY 271.A N THR 269.A OG1 no hydrogen 2.737 N/A CYS 272.A SG THR 269.A O no hydrogen 3.305 N/A ARG 273.A N GLU 270.A O no hydrogen 2.870 N/A ARG 273.A NH2 THR 269.A O no hydrogen 3.455 N/A GLY 274.A N GLU 270.A O no hydrogen 2.893 N/A ASP 275.A N GLY 271.A O no hydrogen 2.992 N/A GLY 276.A N ARG 273.A O no hydrogen 2.762 N/A ILE 278.A N ASP 329.A O no hydrogen 3.409 N/A ARG 280.A N TRP 327.A O no hydrogen 2.967 N/A TYR 291.A N PHE 287.A O no hydrogen 2.812 N/A GLU 292.A N MET 288.A O no hydrogen 3.167 N/A GLU 297.A N GLU 297.A OE2 no hydrogen 2.547 N/A SER 300.A OG ASP 302.A OD1 no hydrogen 3.043 N/A SER 300.A OG ASN 403.A OD1 no hydrogen 3.311 N/A VAL 303.A N SER 300.A O no hydrogen 3.077 N/A VAL 304.A N SER 300.A O no hydrogen 2.887 N/A SER 305.A N ARG 301.A O no hydrogen 3.020 N/A SER 305.A OG PHE 256.A O no hydrogen 3.557 N/A SER 305.A OG ARG 301.A O no hydrogen 2.783 N/A ARG 306.A NH2 TYR 291.A OH no hydrogen 3.106 N/A MET 308.A N SER 305.A O no hydrogen 2.598 N/A ILE 309.A N ARG 306.A O no hydrogen 2.919 N/A HIS 311.A N ARG 307.A O no hydrogen 2.982 N/A ARG 313.A N ILE 309.A O no hydrogen 2.889 N/A LYS 314.A N GLU 310.A O no hydrogen 3.082 N/A LYS 314.A NZ HIS 311.A O no hydrogen 3.484 N/A GLY 315.A N ILE 312.A O no hydrogen 3.010 N/A GLN 319.A N GLY 317.A O no hydrogen 2.876 N/A SER 320.A OG GLY 323.A O no hydrogen 3.352 N/A GLY 323.A N SER 320.A O no hydrogen 3.303 N/A HIS 325.A ND1 LEU 326.A O no hydrogen 3.079 N/A LEU 326.A N VAL 364.A O no hydrogen 3.460 N/A TRP 327.A N ARG 280.A O no hydrogen 3.417 N/A ASP 329.A N ILE 278.A O no hydrogen 3.061 N/A SER 331.A OG ASP 329.A OD1 no hydrogen 2.954 N/A SER 331.A OG ASP 329.A OD2 no hydrogen 2.979 N/A ASP 344.A N ASP 154.A OD1 no hydrogen 3.128 N/A VAL 345.A N ASP 154.A OD2 no hydrogen 3.157 N/A GLU 347.A N ARG 343.A O no hydrogen 3.329 N/A ILE 348.A N ASP 344.A O no hydrogen 2.683 N/A CYS 349.A SG VAL 345.A O no hydrogen 3.436 N/A GLU 350.A N GLN 346.A O no hydrogen 3.197 N/A GLU 350.A N GLU 347.A O no hydrogen 3.046 N/A TYR 351.A N GLU 347.A O no hydrogen 2.921 N/A PHE 352.A N ILE 348.A O no hydrogen 3.274 N/A ILE 355.A N CYS 349.A O no hydrogen 3.318 N/A LYS 360.A N ASP 356.A O no hydrogen 3.071 N/A VAL 364.A N ALA 362.A O no hydrogen 2.863 N/A MET 367.A N HIS 257.A O no hydrogen 3.024 N/A GLN 368.A N ASN 225.A O no hydrogen 3.197 N/A HIS 369.A N GLN 255.A O no hydrogen 3.056 N/A HIS 369.A ND1 THR 227.A OG1 no hydrogen 3.055 N/A TYR 370.A N GLN 255.A O no hydrogen 3.185 N/A SER 371.A N GLU 393.A OE2 no hydrogen 3.153 N/A SER 371.A OG GLU 393.A OE2 no hydrogen 3.476 N/A GLY 374.A N GLY 249.A O no hydrogen 3.322 N/A ARG 376.A N GLN 247.A O no hydrogen 2.525 N/A ARG 376.A NH1 ASP 82.A OD2 no hydrogen 3.225 N/A ARG 376.A NH1 CYS 396.A O no hydrogen 3.425 N/A ARG 376.A NH2 ASP 82.A OD2 no hydrogen 3.137 N/A ARG 376.A NH2 GLU 581.A OE1 no hydrogen 3.351 N/A THR 377.A OG1 ASP 378.A O no hydrogen 2.968 N/A ASP 378.A N GLU 382.A O no hydrogen 2.831 N/A ARG 380.A N ASP 378.A OD1 no hydrogen 2.548 N/A ALA 383.A N LEU 388.A O no hydrogen 3.095 N/A LYS 386.A NZ ALA 383.A O no hydrogen 3.177 N/A GLY 387.A N GLU 382.A OE2 no hydrogen 2.941 N/A LEU 388.A N LEU 385.A O no hydrogen 3.118 N/A PHE 389.A N THR 212.A O no hydrogen 3.005 N/A SER 390.A OG ILE 214.A O no hydrogen 2.795 N/A ALA 395.A N GLY 392.A O no hydrogen 2.677 N/A CYS 396.A N ILE 375.A O no hydrogen 2.956 N/A TRP 397.A NE1 TYR 379.A O no hydrogen 2.916 N/A HIS 400.A NE2 GLU 412.A OE1 no hydrogen 2.654 N/A GLY 401.A N ASP 398.A OD1 no hydrogen 3.250 N/A PHE 402.A N SER 77.A O no hydrogen 3.387 N/A ARG 404.A NH1 GLN 255.A OE1 no hydrogen 3.134 N/A ASN 408.A ND2 HIS 69.A NE2 no hydrogen 3.295 N/A SER 411.A N ASN 408.A O no hydrogen 2.983 N/A SER 411.A OG GLN 52.A O no hydrogen 2.974 N/A GLU 412.A N ASN 408.A O no hydrogen 2.754 N/A ALA 413.A N SER 409.A O no hydrogen 2.966 N/A VAL 415.A N SER 411.A O no hydrogen 2.825 N/A ALA 416.A N GLU 412.A O no hydrogen 2.721 N/A GLY 417.A N ALA 413.A O no hydrogen 3.048 N/A MET 418.A N VAL 414.A O no hydrogen 2.903 N/A MET 418.A N VAL 415.A O no hydrogen 2.519 N/A ILE 419.A N VAL 415.A O no hydrogen 2.970 N/A GLU 422.A N MET 418.A O no hydrogen 3.276 N/A TYR 423.A N ILE 419.A O no hydrogen 3.252 N/A PHE 424.A N GLY 421.A O no hydrogen 2.867 N/A ALA 425.A N GLY 421.A O no hydrogen 2.844 N/A GLU 426.A N GLU 422.A O no hydrogen 3.153 N/A HIS 427.A N TYR 423.A O no hydrogen 3.415 N/A CYS 428.A N PHE 424.A O no hydrogen 3.036 N/A CYS 428.A SG ASP 7.A O no hydrogen 3.750 N/A CYS 428.A SG PHE 424.A O no hydrogen 3.326 N/A ALA 429.A N ALA 425.A O no hydrogen 2.923 N/A ASN 430.A N GLU 426.A O no hydrogen 3.074 N/A ASN 430.A N HIS 427.A O no hydrogen 3.116 N/A THR 431.A N HIS 427.A O no hydrogen 2.837 N/A THR 439.A OG1 GLN 187.A OE1 no hydrogen 3.177 N/A LEU 440.A N GLU 436.A O no hydrogen 2.872 N/A GLU 441.A N THR 437.A O no hydrogen 2.956 N/A LYS 442.A N LYS 438.A O no hydrogen 2.902 N/A PHE 443.A N THR 439.A O no hydrogen 3.048 N/A VAL 444.A N LEU 440.A O no hydrogen 3.113 N/A LYS 445.A N GLU 441.A O no hydrogen 2.822 N/A GLN 447.A N PHE 443.A O no hydrogen 2.854 N/A GLN 447.A N VAL 444.A O no hydrogen 2.840 N/A GLU 448.A N VAL 444.A O no hydrogen 2.931 N/A ALA 449.A N LYS 445.A O no hydrogen 3.368 N/A TYR 450.A N GLY 446.A O no hydrogen 3.474 N/A MET 451.A N GLN 447.A O no hydrogen 3.095 N/A LYS 452.A N GLU 448.A O no hydrogen 3.170 N/A SER 453.A N ALA 449.A O no hydrogen 3.030 N/A SER 453.A OG ALA 449.A O no hydrogen 3.547 N/A LEU 454.A N TYR 450.A O no hydrogen 3.276 N/A VAL 455.A N MET 451.A O no hydrogen 3.141 N/A GLU 456.A N LYS 452.A O no hydrogen 2.807 N/A SER 457.A OG VAL 504.A O no hydrogen 2.415 N/A GLU 461.A N ASN 503.A O no hydrogen 3.249 N/A LYS 465.A N ASP 462.A O no hydrogen 2.666 N/A ILE 466.A N ASP 462.A O no hydrogen 3.033 N/A LYS 467.A N VAL 463.A O no hydrogen 2.783 N/A LYS 467.A NZ GLU 519.A OE1 no hydrogen 2.824 N/A ASN 468.A N PHE 464.A O no hydrogen 3.331 N/A ARG 469.A N LYS 465.A O no hydrogen 3.080 N/A ARG 469.A NE GLU 493.A OE2 no hydrogen 3.459 N/A ARG 469.A NH2 GLU 493.A OE1 no hydrogen 3.313 N/A MET 470.A N ILE 466.A O no hydrogen 3.039 N/A LYS 471.A N LYS 467.A O no hydrogen 3.345 N/A ASP 472.A N ARG 469.A O no hydrogen 3.226 N/A VAL 473.A N ARG 469.A O no hydrogen 3.193 N/A MET 474.A N MET 470.A O no hydrogen 3.171 N/A ASP 475.A N LYS 471.A O no hydrogen 3.431 N/A ASP 476.A N ASP 472.A O no hydrogen 3.177 N/A ASP 476.A N VAL 473.A O no hydrogen 3.308 N/A ASN 477.A N VAL 473.A O no hydrogen 3.091 N/A ASN 477.A ND2 VAL 473.A O no hydrogen 3.065 N/A VAL 478.A N MET 474.A O no hydrogen 2.979 N/A ARG 482.A N ASN 548.A O no hydrogen 2.928 N/A ARG 482.A NH1 ALA 546.A O no hydrogen 3.170 N/A GLY 484.A N ASP 551.A OD1 no hydrogen 3.355 N/A GLY 484.A N ASP 551.A OD2 no hydrogen 3.357 N/A LEU 487.A N ASP 483.A O no hydrogen 3.097 N/A LYS 489.A N PRO 485.A O no hydrogen 3.288 N/A LYS 492.A N GLU 488.A O no hydrogen 3.210 N/A LYS 492.A NZ GLU 495.A OE2 no hydrogen 2.904 N/A GLU 493.A N LYS 489.A O no hydrogen 3.282 N/A LEU 494.A N ALA 490.A O no hydrogen 2.779 N/A GLU 495.A N LYS 492.A O no hydrogen 3.058 N/A GLU 496.A N LYS 492.A O no hydrogen 2.899 N/A LEU 497.A N GLU 493.A O no hydrogen 2.940 N/A TYR 498.A N LEU 494.A O no hydrogen 3.316 N/A LYS 499.A N GLU 495.A O no hydrogen 3.229 N/A LYS 500.A N LEU 497.A O no hydrogen 2.811 N/A LYS 500.A NZ GLU 461.A OE2 no hydrogen 3.090 N/A SER 501.A N LEU 497.A O no hydrogen 2.690 N/A SER 501.A OG LEU 497.A O no hydrogen 3.389 N/A SER 501.A OG TYR 498.A O no hydrogen 2.853 N/A ASN 503.A N LYS 500.A O no hydrogen 2.916 N/A GLY 505.A N GLU 461.A O no hydrogen 3.313 N/A LYS 507.A N GLU 516.A OE1 no hydrogen 2.968 N/A LYS 507.A N GLU 516.A OE2 no hydrogen 3.324 N/A ASN 508.A N GLU 516.A OE1 no hydrogen 3.023 N/A ASN 508.A ND2 GLU 516.A OE1 no hydrogen 3.329 N/A LYS 509.A NZ VAL 455.A O no hydrogen 3.369 N/A LYS 509.A NZ ILE 506.A O no hydrogen 2.964 N/A ARG 510.A NE ALA 513.A O no hydrogen 3.198 N/A ARG 510.A NH2 ALA 513.A O no hydrogen 3.527 N/A ALA 513.A N VAL 200.A O no hydrogen 2.705 N/A ASN 514.A ND2 ASN 508.A O no hydrogen 2.978 N/A ASN 514.A ND2 ARG 510.A O no hydrogen 3.035 N/A LEU 517.A N ASN 514.A OD1 no hydrogen 2.555 N/A GLU 519.A N PRO 515.A O no hydrogen 3.266 N/A ALA 520.A N LEU 517.A O no hydrogen 3.126 N/A TYR 521.A N LEU 517.A O no hydrogen 3.303 N/A TYR 521.A OH GLU 180.A OE1 no hydrogen 2.430 N/A ARG 522.A N GLU 518.A O no hydrogen 3.005 N/A ARG 522.A NH1 GLU 180.A OE2 no hydrogen 3.042 N/A ARG 522.A NH2 GLU 518.A OE1 no hydrogen 2.618 N/A MET 526.A N ARG 522.A O no hydrogen 3.228 N/A LEU 527.A N VAL 523.A O no hydrogen 2.992 N/A LYS 528.A N PRO 524.A O no hydrogen 3.260 N/A LYS 528.A NZ GLU 242.A OE1 no hydrogen 2.837 N/A VAL 529.A N MET 525.A O no hydrogen 3.041 N/A ALA 530.A N MET 526.A O no hydrogen 2.666 N/A LEU 531.A N LEU 527.A O no hydrogen 2.660 N/A CYS 532.A N LYS 528.A O no hydrogen 3.386 N/A CYS 532.A SG LYS 528.A O no hydrogen 3.183 N/A VAL 533.A N ALA 530.A O no hydrogen 3.181 N/A ALA 534.A N ALA 530.A O no hydrogen 3.050 N/A LYS 535.A N LEU 531.A O no hydrogen 2.975 N/A ALA 537.A N VAL 533.A O no hydrogen 2.743 N/A LEU 538.A N ALA 534.A O no hydrogen 2.893 N/A ASP 539.A N LYS 535.A O no hydrogen 3.106 N/A ARG 540.A N GLY 536.A O no hydrogen 3.504 N/A ARG 540.A NH2 ASN 562.A O no hydrogen 2.539 N/A GLU 542.A N ARG 540.A O no hydrogen 3.090 N/A SER 543.A OG TYR 552.A O no hydrogen 3.059 N/A ARG 544.A NE ASP 78.A O no hydrogen 3.226 N/A ARG 544.A NE TRP 79.A O no hydrogen 3.340 N/A ARG 544.A NH1 ASP 556.A O no hydrogen 3.480 N/A ARG 544.A NH2 ASP 556.A O no hydrogen 3.344 N/A GLY 545.A N ASP 78.A OD2 no hydrogen 2.572 N/A ALA 546.A N PHE 402.A O no hydrogen 2.856 N/A HIS 547.A N ARG 544.A O no hydrogen 2.774 N/A ARG 549.A N SER 543.A OG no hydrogen 3.022 N/A GLU 550.A N ARG 482.A O no hydrogen 2.892 N/A TYR 552.A N ARG 549.A O no hydrogen 2.855 N/A ARG 555.A N ASN 602.A O no hydrogen 3.139 N/A ARG 555.A NE ASP 557.A OD1 no hydrogen 3.327 N/A ARG 555.A NH1 ASP 78.A OD1 no hydrogen 3.302 N/A ARG 555.A NH1 GLY 593.A O no hydrogen 3.183 N/A ARG 555.A NH2 GLY 593.A O no hydrogen 3.086 N/A ASP 557.A N ILE 604.A O no hydrogen 3.202 N/A ASN 559.A N ASP 556.A OD1 no hydrogen 2.851 N/A ASN 559.A ND2 ASP 556.A OD1 no hydrogen 3.184 N/A ASN 559.A ND2 ASP 556.A OD2 no hydrogen 2.954 N/A ARG 563.A N GLU 581.A O no hydrogen 2.932 N/A ARG 563.A NE ASP 398.A OD2 no hydrogen 3.326 N/A ARG 563.A NH2 ASP 82.A OD1 no hydrogen 3.196 N/A ARG 563.A NH2 ASP 398.A OD2 no hydrogen 3.254 N/A THR 564.A N ASN 250.A OD1 no hydrogen 3.212 N/A THR 564.A OG1 GLU 252.A OE1 no hydrogen 3.398 N/A THR 564.A OG1 GLU 252.A OE2 no hydrogen 2.673 N/A ALA 566.A N LEU 248.A O no hydrogen 2.782 N/A SER 567.A N THR 577.A O no hydrogen 3.269 N/A SER 567.A OG THR 577.A O no hydrogen 2.956 N/A ASN 570.A N GLN 573.A OE1 no hydrogen 3.023 N/A GLU 572.A N ASN 570.A OD1 no hydrogen 2.341 N/A GLN 573.A N ASN 570.A OD1 no hydrogen 3.047 N/A GLN 573.A NE2 LEU 575.A O no hydrogen 2.623 N/A GLN 573.A NE2 THR 577.A OG1 no hydrogen 2.864 N/A THR 574.A OG1 GLU 495.A OE1 no hydrogen 2.435 N/A THR 577.A N SER 567.A O no hydrogen 2.704 N/A GLU 579.A N LEU 565.A O no hydrogen 3.147 N/A TYR 580.A OH ASP 539.A OD2 no hydrogen 3.157 N/A GLU 581.A N ARG 563.A O no hydrogen 3.345 N/A LEU 583.A N LEU 561.A O no hydrogen 2.926 N/A ASN 586.A N ASP 584.A OD2 no hydrogen 2.848 N/A MET 588.A N VAL 585.A O no hydrogen 3.411 N/A TYR 594.A OH GLY 598.A O no hydrogen 3.252 N/A ARG 595.A NH1 ASP 302.A OD1 no hydrogen 3.048 N/A ARG 595.A NH2 GLY 76.A O no hydrogen 3.469 N/A ARG 595.A NH2 ASP 302.A OD1 no hydrogen 3.345 N/A ARG 595.A NH2 ASN 403.A OD1 no hydrogen 3.188 N/A ASN 606.A ND2 ASP 557.A O no hydrogen 3.565 N/A LEU 608.A N ASN 606.A OD1 no hydrogen 2.941 N/A SER 609.A OG ASN 606.A O no hydrogen 2.866 N/A LYS 611.A N PRO 607.A O no hydrogen 3.345 N/A ARG 612.A N LEU 608.A O no hydrogen 2.864 N/A ARG 612.A NE MET 588.A O no hydrogen 3.365 N/A ARG 612.A NH2 MET 588.A O no hydrogen 3.241 N/A ARG 612.A NH2 LEU 637.A O no hydrogen 2.728 N/A GLN 613.A N SER 609.A O no hydrogen 3.025 N/A GLU 614.A N VAL 610.A O no hydrogen 2.859 N/A GLU 615.A N LYS 611.A O no hydrogen 3.207 N/A ILE 616.A N GLN 613.A O no hydrogen 2.786 N/A ASP 617.A N GLN 613.A O no hydrogen 3.060 N/A LYS 618.A N GLU 614.A O no hydrogen 2.829 N/A GLN 620.A N ILE 616.A O no hydrogen 2.714 N/A SER 621.A N ASP 617.A O no hydrogen 3.094 N/A SER 621.A OG ASP 617.A O no hydrogen 3.167 N/A GLU 622.A N LYS 618.A O no hydrogen 3.083 N/A LEU 623.A N ILE 619.A O no hydrogen 3.079 N/A GLU 624.A N SER 621.A O no hydrogen 3.336 N/A ALA 625.A N SER 621.A O no hydrogen 2.989 N/A ALA 626.A N GLU 622.A O no hydrogen 2.911 N/A GLY 627.A N GLU 624.A O no hydrogen 3.269 N/A LYS 628.A N LEU 623.A O no hydrogen 2.840 N/A ARG 630.A NH1 ASP 67.A OD2 no hydrogen 2.990 N/A ARG 630.A NH2 GLU 66.A OE1 no hydrogen 3.466 N/A ALA 632.A N ASP 629.A O no hydrogen 2.933 N/A ALA 632.A N ASP 629.A OD2 no hydrogen 3.262 N/A ILE 633.A N ASP 629.A O no hydrogen 3.249 N/A GLN 634.A N ARG 630.A O no hydrogen 2.998 N/A GLN 634.A NE2 GLU 589.A OE2 no hydrogen 2.575 N/A GLN 634.A NE2 MET 638.A O no hydrogen 2.374 N/A GLU 635.A N HIS 631.A O no hydrogen 2.956 N/A ALA 636.A N ALA 632.A O no hydrogen 3.138 N/A LEU 637.A N ILE 633.A O no hydrogen 2.858 N/A MET 638.A N GLN 634.A O no hydrogen 2.975 N/A LYS 647.A N ALA 644.A O no hydrogen 2.965 N/A ASN 650.A ND2 GLU 66.A OE2 no hydrogen 2.767 N/A ASN 650.A ND2 ASN 91.A O no hydrogen 3.332 N/A ARG 652.A N ASP 655.A OD2 no hydrogen 3.147 N/A ARG 652.A NE SER 54.A O no hydrogen 2.906 N/A ARG 652.A NH1 GLU 66.A OE2 no hydrogen 3.353 N/A ARG 652.A NH2 SER 54.A O no hydrogen 2.595 N/A ARG 652.A NH2 SER 54.A OG no hydrogen 2.957 N/A