Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6o8b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 8.A N TRP 15.A O no hydrogen 3.113 N/A SER 9.A OG THR 83.A OG1 no hydrogen 3.102 N/A THR 10.A N HIS 13.A O no hydrogen 2.777 N/A THR 10.A OG1 HIS 13.A O no hydrogen 3.533 N/A THR 10.A OG1 GLU 80.A OE1 no hydrogen 2.849 N/A SER 11.A OG ASN 12.A OD1 no hydrogen 3.551 N/A ASN 12.A N THR 10.A OG1 no hydrogen 3.154 N/A HIS 13.A N THR 10.A OG1 no hydrogen 2.939 N/A HIS 13.A ND1 GLU 80.A OE1 no hydrogen 2.869 N/A LEU 14.A N ARG 33.A O no hydrogen 3.124 N/A TRP 15.A N GLN 8.A O no hydrogen 3.165 N/A LEU 17.A N ILE 6.A O no hydrogen 2.767 N/A ASP 19.A N LEU 16.A O no hydrogen 3.160 N/A LEU 21.A N VAL 29.A O no hydrogen 2.644 N/A GLY 22.A N VAL 29.A O no hydrogen 3.233 N/A ASN 28.A N VAL 45.A O no hydrogen 3.106 N/A VAL 29.A N GLY 22.A O no hydrogen 2.763 N/A PHE 30.A N ILE 43.A O no hydrogen 2.691 N/A ARG 31.A N ASP 19.A O no hydrogen 2.619 N/A GLY 32.A N PHE 41.A O no hydrogen 2.940 N/A ARG 33.A N LEU 14.A O no hydrogen 2.959 N/A ARG 33.A NH2 GLY 38.A O no hydrogen 2.848 N/A HIS 34.A N ASP 39.A O no hydrogen 2.839 N/A LYS 35.A N ASN 12.A O no hydrogen 2.679 N/A LYS 35.A NZ THR 10.A O no hydrogen 3.077 N/A LYS 36.A N HIS 34.A ND1 no hydrogen 3.155 N/A GLY 38.A N HIS 34.A O no hydrogen 2.770 N/A ASP 39.A N THR 37.A OG1 no hydrogen 2.888 N/A PHE 41.A N GLY 32.A O no hydrogen 2.928 N/A ALA 42.A N MET 92.A O no hydrogen 2.895 N/A ILE 43.A N PHE 30.A O no hydrogen 2.834 N/A LYS 44.A N LEU 90.A O no hydrogen 3.044 N/A VAL 45.A N ASN 28.A O no hydrogen 2.983 N/A PHE 46.A N LYS 88.A O no hydrogen 3.231 N/A ASN 47.A ND2 ASN 28.A OD1 no hydrogen 2.533 N/A ASN 48.A N ASN 47.A OD1 no hydrogen 2.809 N/A LEU 52.A N ILE 49.A O no hydrogen 2.616 N/A GLN 58.A N VAL 55.A O no hydrogen 3.137 N/A MET 59.A N VAL 55.A O no hydrogen 2.590 N/A ARG 60.A N ASP 56.A O no hydrogen 2.977 N/A PHE 62.A N MET 59.A O no hydrogen 2.913 N/A GLU 63.A N MET 59.A O no hydrogen 3.222 N/A VAL 64.A N ARG 60.A O no hydrogen 3.411 N/A LEU 65.A N GLU 61.A O no hydrogen 3.247 N/A LYS 66.A N PHE 62.A O no hydrogen 2.824 N/A LEU 68.A N LEU 65.A O no hydrogen 3.048 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 3.228 N/A ASN 72.A ND2 ASP 124.A OD1 no hydrogen 2.716 N/A ASN 72.A ND2 TYR 159.A O no hydrogen 3.068 N/A ILE 73.A N HIS 70.A O no hydrogen 3.470 N/A VAL 74.A N LEU 161.A O no hydrogen 2.959 N/A LYS 75.A N GLU 93.A OE2 no hydrogen 3.081 N/A LYS 75.A NZ LYS 66.A O no hydrogen 2.837 N/A LYS 75.A NZ LEU 68.A O no hydrogen 3.026 N/A LYS 75.A NZ ASN 69.A OD1 no hydrogen 2.956 N/A PHE 77.A N ILE 91.A O no hydrogen 2.944 N/A GLU 80.A N VAL 89.A O no hydrogen 2.682 N/A GLU 82.A N HIS 87.A O no hydrogen 2.932 N/A THR 83.A N SER 9.A O no hydrogen 2.782 N/A THR 83.A OG1 SER 9.A O no hydrogen 3.053 N/A THR 83.A OG1 SER 9.A OG no hydrogen 3.102 N/A THR 84.A N GLU 82.A OE1 no hydrogen 2.770 N/A THR 84.A OG1 GLU 82.A OE1 no hydrogen 3.242 N/A THR 85.A N GLU 82.A OE1 no hydrogen 2.641 N/A THR 85.A OG1 GLU 82.A OE1 no hydrogen 3.081 N/A ARG 86.A N GLU 82.A O no hydrogen 3.028 N/A ARG 86.A NE THR 83.A O no hydrogen 3.324 N/A ARG 86.A NH2 THR 83.A O no hydrogen 3.485 N/A HIS 87.A N THR 85.A OG1 no hydrogen 3.204 N/A LYS 88.A NZ GLU 81.A OE2 no hydrogen 3.227 N/A VAL 89.A N GLU 80.A O no hydrogen 2.820 N/A LEU 90.A N LYS 44.A O no hydrogen 2.887 N/A ILE 91.A N ALA 78.A O no hydrogen 2.830 N/A MET 92.A N ALA 42.A O no hydrogen 2.892 N/A GLU 93.A N LYS 75.A O no hydrogen 3.173 N/A CYS 95.A SG GLU 93.A O no hydrogen 3.759 N/A GLY 98.A N CYS 95.A O no hydrogen 3.190 N/A LEU 100.A N ILE 147.A O no hydrogen 2.659 N/A TYR 101.A N PRO 144.A O no hydrogen 3.033 N/A THR 102.A OG1 SER 99.A O no hydrogen 2.377 N/A LEU 104.A N LEU 100.A O no hydrogen 2.933 N/A GLU 105.A N TYR 101.A O no hydrogen 2.891 N/A GLU 106.A N VAL 103.A O no hydrogen 3.235 N/A SER 108.A OG ASN 109.A OD1 no hydrogen 3.374 N/A ASN 109.A ND2 VAL 103.A O no hydrogen 3.157 N/A ALA 110.A N PRO 107.A O no hydrogen 3.047 N/A LEU 113.A N ALA 220.A O no hydrogen 3.075 N/A PHE 118.A N PRO 114.A O no hydrogen 2.974 N/A LEU 119.A N GLU 115.A O no hydrogen 3.131 N/A ILE 120.A N SER 116.A O no hydrogen 3.417 N/A VAL 121.A N GLU 117.A O no hydrogen 2.950 N/A LEU 122.A N PHE 118.A O no hydrogen 2.843 N/A ARG 123.A N LEU 119.A O no hydrogen 2.878 N/A ASP 124.A N ILE 120.A O no hydrogen 2.901 N/A VAL 125.A N VAL 121.A O no hydrogen 2.913 N/A VAL 126.A N LEU 122.A O no hydrogen 3.214 N/A GLY 127.A N ARG 123.A O no hydrogen 2.894 N/A GLY 128.A N ASP 124.A O no hydrogen 2.783 N/A MET 129.A N VAL 125.A O no hydrogen 2.928 N/A ASN 130.A N VAL 126.A O no hydrogen 2.875 N/A HIS 131.A N GLY 127.A O no hydrogen 3.135 N/A LEU 132.A N GLY 128.A O no hydrogen 3.090 N/A ARG 133.A N MET 129.A O no hydrogen 3.026 N/A GLU 134.A N ASN 130.A O no hydrogen 2.916 N/A ASN 135.A N LEU 132.A O no hydrogen 2.995 N/A GLY 136.A N ARG 133.A O no hydrogen 3.226 N/A ILE 137.A N LEU 132.A O no hydrogen 3.023 N/A VAL 138.A N ARG 168.A O no hydrogen 3.414 N/A HIS 139.A NE2 ASN 146.A OD1 no hydrogen 3.286 N/A ARG 140.A N ASP 209.A OD1 no hydrogen 2.519 N/A LYS 143.A NZ ASN 141.A O no hydrogen 3.196 N/A LYS 143.A NZ ASN 141.A OD1 no hydrogen 2.587 N/A ASN 146.A N LYS 143.A O no hydrogen 3.013 N/A ASN 146.A ND2 THR 162.A O no hydrogen 2.767 N/A ASN 146.A ND2 ASP 163.A O no hydrogen 3.263 N/A ILE 147.A N PRO 144.A O no hydrogen 3.344 N/A MET 148.A N LYS 160.A O no hydrogen 2.828 N/A ARG 149.A N GLY 98.A O no hydrogen 2.974 N/A VAL 150.A N VAL 158.A O no hydrogen 2.939 N/A GLY 152.A N GLN 156.A O no hydrogen 2.927 N/A GLY 155.A N GLY 152.A O no hydrogen 3.156 N/A GLN 156.A N ASP 154.A OD1 no hydrogen 3.363 N/A GLN 156.A NE2 ASP 154.A OD2 no hydrogen 2.907 N/A SER 157.A OG GLU 117.A OE1 no hydrogen 3.331 N/A SER 157.A OG GLU 117.A OE2 no hydrogen 2.479 N/A VAL 158.A N VAL 150.A O no hydrogen 2.627 N/A TYR 159.A N ASP 124.A OD2 no hydrogen 2.610 N/A TYR 159.A OH GLU 117.A OE2 no hydrogen 2.804 N/A LYS 160.A N MET 148.A O no hydrogen 2.886 N/A LYS 160.A NZ LYS 71.A O no hydrogen 2.874 N/A LYS 160.A NZ GLU 93.A OE2 no hydrogen 3.193 N/A LEU 161.A N ASN 72.A O no hydrogen 2.742 N/A ASP 163.A N THR 162.A OG1 no hydrogen 2.609 N/A ALA 167.A N PHE 164.A O no hydrogen 3.279 N/A ARG 168.A NH1 GLU 178.A OE2 no hydrogen 3.285 N/A LEU 170.A N GLY 136.A O no hydrogen 3.254 N/A GLU 171.A N GLU 174.A OE1 no hydrogen 3.110 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.528 N/A TYR 185.A OH HIS 219.A ND1 no hydrogen 3.040 N/A ASP 189.A N HIS 187.A ND1 no hydrogen 3.000 N/A TYR 191.A N HIS 187.A O no hydrogen 2.887 N/A ARG 193.A NH2 HIS 200.A O no hydrogen 2.979 N/A VAL 195.A N TYR 191.A O no hydrogen 3.284 N/A LEU 196.A N GLU 192.A O no hydrogen 3.339 N/A LYS 198.A N GLU 192.A O no hydrogen 3.246 N/A LYS 198.A NZ GLU 192.A OE2 no hydrogen 2.848 N/A LYS 198.A NZ HIS 200.A ND1 no hydrogen 3.247 N/A GLN 201.A N GLN 201.A OE1 no hydrogen 2.748 N/A THR 207.A OG1 GLN 295.A OE1 no hydrogen 2.798 N/A TRP 211.A N THR 207.A O no hydrogen 3.012 N/A SER 212.A OG TYR 185.A O no hydrogen 2.883 N/A SER 212.A OG VAL 208.A O no hydrogen 3.316 N/A ILE 213.A N ASP 209.A O no hydrogen 2.721 N/A GLY 214.A N LEU 210.A O no hydrogen 2.907 N/A VAL 215.A N TRP 211.A O no hydrogen 2.879 N/A THR 216.A N SER 212.A O no hydrogen 2.977 N/A THR 216.A OG1 SER 212.A O no hydrogen 2.699 N/A PHE 217.A N ILE 213.A O no hydrogen 2.939 N/A TYR 218.A N GLY 214.A O no hydrogen 3.040 N/A HIS 219.A N VAL 215.A O no hydrogen 3.057 N/A ALA 220.A N THR 216.A O no hydrogen 3.095 N/A ALA 221.A N PHE 217.A O no hydrogen 2.861 N/A ALA 221.A N TYR 218.A O no hydrogen 3.162 N/A THR 222.A N TYR 218.A O no hydrogen 2.975 N/A THR 222.A OG1 TYR 218.A O no hydrogen 3.020 N/A GLY 223.A N HIS 219.A O no hydrogen 2.742 N/A SER 224.A N THR 222.A OG1 no hydrogen 3.265 N/A ARG 228.A N GLY 254.A O no hydrogen 3.154 N/A PHE 230.A N ARG 228.A O no hydrogen 3.209 N/A ARG 235.A N GLY 232.A O no hydrogen 2.995 N/A ASN 236.A ND2 PRO 229.A O no hydrogen 3.523 N/A MET 240.A N ASN 236.A O no hydrogen 3.222 N/A LYS 242.A N GLU 238.A O no hydrogen 3.083 N/A ILE 243.A N VAL 239.A O no hydrogen 3.180 N/A ILE 244.A N MET 240.A O no hydrogen 3.521 N/A THR 245.A N TYR 241.A O no hydrogen 3.240 N/A THR 245.A OG1 TYR 241.A O no hydrogen 2.861 N/A GLY 246.A N LYS 242.A O no hydrogen 3.467 N/A LYS 247.A NZ PRO 248.A O no hydrogen 3.520 N/A LYS 247.A NZ LEU 291.A O no hydrogen 2.936 N/A LYS 247.A NZ GLU 292.A OE1 no hydrogen 3.264 N/A ALA 251.A N PRO 248.A O no hydrogen 3.111 N/A ILE 252.A N SER 266.A O no hydrogen 3.154 N/A SER 253.A OG SER 266.A O no hydrogen 3.526 N/A GLY 254.A N PRO 226.A O no hydrogen 2.809 N/A VAL 255.A N ASP 264.A O no hydrogen 3.253 N/A GLN 256.A N ARG 228.A O no hydrogen 3.059 N/A GLN 256.A NE2 GLY 261.A O no hydrogen 3.236 N/A LYS 257.A NZ ASP 264.A OD2 no hydrogen 3.357 N/A GLY 261.A N ALA 258.A O no hydrogen 2.916 N/A ASP 264.A N VAL 255.A O no hydrogen 2.945 N/A SER 266.A N SER 253.A O no hydrogen 3.090 N/A SER 266.A OG ASP 268.A O no hydrogen 3.102 N/A SER 272.A OG GLU 401.A OE1 no hydrogen 3.450 N/A CYS 273.A N PRO 270.A O no hydrogen 3.155 N/A CYS 273.A SG ALA 221.A O no hydrogen 3.392 N/A SER 276.A N GLU 115.A OE2 no hydrogen 3.162 N/A SER 276.A OG GLU 115.A OE1 no hydrogen 2.892 N/A LEU 279.A N SER 276.A OG no hydrogen 3.112 N/A GLN 280.A N SER 276.A O no hydrogen 2.956 N/A GLN 280.A NE2 LEU 275.A O no hydrogen 3.294 N/A VAL 281.A N ARG 277.A O no hydrogen 3.495 N/A LEU 282.A N LEU 279.A O no hydrogen 2.854 N/A LEU 283.A N LEU 279.A O no hydrogen 2.748 N/A THR 284.A N GLN 280.A O no hydrogen 2.869 N/A THR 284.A OG1 GLN 280.A O no hydrogen 2.903 N/A LEU 287.A N LEU 283.A O no hydrogen 3.035 N/A ALA 288.A N THR 284.A O no hydrogen 2.975 N/A ASN 289.A N PRO 285.A O no hydrogen 3.259 N/A ASN 289.A ND2 PRO 285.A O no hydrogen 2.424 N/A ILE 290.A N VAL 286.A O no hydrogen 3.399 N/A LEU 291.A N LEU 287.A O no hydrogen 3.153 N/A GLN 295.A NE2 LYS 203.A O no hydrogen 2.908 N/A CYS 298.A SG ASN 289.A O no hydrogen 3.811 N/A PHE 304.A N GLY 300.A O no hydrogen 3.098 N/A PHE 305.A N PHE 301.A O no hydrogen 2.734 N/A ALA 306.A N ASP 302.A O no hydrogen 3.381 N/A GLU 307.A N GLN 303.A O no hydrogen 2.988 N/A THR 308.A N PHE 304.A O no hydrogen 3.194 N/A THR 308.A OG1 PHE 304.A O no hydrogen 3.231 N/A THR 308.A OG1 PHE 305.A O no hydrogen 3.125 N/A SER 309.A N PHE 305.A O no hydrogen 2.839 N/A SER 309.A OG PHE 305.A O no hydrogen 2.874 N/A ASP 310.A N ALA 306.A O no hydrogen 3.271 N/A ASP 310.A N GLU 307.A O no hydrogen 3.125 N/A ILE 311.A N GLU 307.A O no hydrogen 3.447 N/A LEU 312.A N THR 308.A O no hydrogen 3.038 N/A HIS 313.A N SER 309.A O no hydrogen 2.917 N/A ARG 314.A NE ASP 310.A OD2 no hydrogen 2.829 N/A ARG 314.A NH1 TYR 331.A O no hydrogen 3.304 N/A ARG 314.A NH2 ASP 310.A OD2 no hydrogen 2.849 N/A MET 315.A N ILE 332.A O no hydrogen 2.768 N/A ILE 317.A N ILE 330.A O no hydrogen 3.093 N/A HIS 318.A N THR 379.A OG1 no hydrogen 3.152 N/A VAL 319.A N HIS 328.A O no hydrogen 3.042 N/A PHE 320.A N ILE 385.A O no hydrogen 2.970 N/A SER 321.A N THR 326.A O no hydrogen 2.857 N/A SER 321.A OG GLN 324.A OE1 no hydrogen 3.084 N/A LEU 322.A N VAL 387.A O no hydrogen 3.200 N/A GLN 323.A NE2 SER 389.A O no hydrogen 2.336 N/A GLN 324.A NE2 THR 349.A O no hydrogen 3.235 N/A THR 326.A N SER 321.A O no hydrogen 3.392 N/A THR 326.A OG1 HIS 328.A NE2 no hydrogen 2.756 N/A ALA 327.A N TYR 441.A OH no hydrogen 3.078 N/A HIS 328.A N VAL 319.A O no hydrogen 2.771 N/A HIS 328.A ND1 GLN 348.A OE1 no hydrogen 3.309 N/A HIS 328.A NE2 THR 326.A OG1 no hydrogen 2.756 N/A LYS 329.A NZ GLU 115.A OE2 no hydrogen 2.960 N/A ILE 330.A N ILE 317.A O no hydrogen 3.121 N/A TYR 331.A OH GLU 115.A OE1 no hydrogen 2.292 N/A ILE 332.A N MET 315.A O no hydrogen 2.991 N/A HIS 333.A NE2 ASP 310.A OD1 no hydrogen 2.852 N/A ASN 336.A N HIS 333.A O no hydrogen 3.083 N/A THR 339.A N THR 337.A OG1 no hydrogen 3.327 N/A THR 339.A OG1 PRO 369.A O no hydrogen 3.235 N/A HIS 342.A N THR 339.A O no hydrogen 3.129 N/A LEU 344.A N ILE 340.A O no hydrogen 3.155 N/A VAL 345.A N PHE 341.A O no hydrogen 3.188 N/A TYR 346.A N HIS 342.A O no hydrogen 2.925 N/A LYS 347.A N GLU 343.A O no hydrogen 3.047 N/A GLN 348.A N VAL 345.A O no hydrogen 3.362 N/A THR 349.A N VAL 345.A O no hydrogen 2.931 N/A THR 349.A OG1 VAL 345.A O no hydrogen 2.503 N/A LYS 350.A N TYR 346.A O no hydrogen 2.739 N/A ASN 355.A N ILE 352.A O no hydrogen 3.160 N/A GLN 356.A NE2 HIS 342.A O no hydrogen 3.165 N/A GLN 356.A NE2 ILE 351.A O no hydrogen 2.679 N/A GLU 357.A N VAL 388.A O no hydrogen 2.952 N/A ILE 359.A N PHE 386.A O no hydrogen 2.970 N/A TYR 360.A N ARG 363.A O no hydrogen 2.837 N/A TYR 360.A OH LYS 378.A O no hydrogen 3.007 N/A ARG 363.A N TYR 360.A O no hydrogen 3.414 N/A ARG 364.A NH1 GLU 357.A OE1 no hydrogen 3.493 N/A ARG 364.A NH2 ASP 459.A OD1 no hydrogen 3.056 N/A ARG 364.A NH2 ASP 459.A OD2 no hydrogen 3.113 N/A LEU 365.A N LEU 358.A O no hydrogen 2.627 N/A GLU 368.A N GLU 368.A OE1 no hydrogen 2.398 N/A ARG 371.A N GLU 368.A O no hydrogen 3.005 N/A ARG 371.A NE HIS 375.A O no hydrogen 3.185 N/A ARG 371.A NH1 HIS 375.A O no hydrogen 2.628 N/A ARG 371.A NH2 GLU 368.A OE2 no hydrogen 3.276 N/A ALA 373.A N ASN 336.A O no hydrogen 2.993 N/A GLN 374.A N SER 334.A O no hydrogen 3.193 N/A HIS 375.A N LEU 372.A O no hydrogen 3.094 N/A PHE 376.A N ALA 373.A O no hydrogen 3.302 N/A ASN 383.A N THR 380.A OG1 no hydrogen 2.799 N/A ASN 383.A ND2 TYR 360.A OH no hydrogen 3.507 N/A ASN 383.A ND2 GLU 361.A OE2 no hydrogen 3.196 N/A ILE 385.A N HIS 318.A O no hydrogen 2.797 N/A PHE 386.A N ILE 359.A O no hydrogen 2.958 N/A VAL 387.A N PHE 320.A O no hydrogen 3.100 N/A VAL 388.A N GLU 357.A O no hydrogen 3.013 N/A SER 389.A OG GLU 391.A O no hydrogen 2.835 N/A ARG 390.A NH2 GLU 357.A OE2 no hydrogen 3.458 N/A GLU 391.A N SER 389.A OG no hydrogen 3.321 N/A THR 395.A OG1 GLN 323.A O no hydrogen 2.795 N/A ILE 396.A N GLN 324.A O no hydrogen 2.971 N/A GLY 397.A N GLN 324.A O no hydrogen 2.957 N/A LEU 398.A N TYR 609.A OH no hydrogen 2.820 N/A GLU 401.A N TYR 430.A OH no hydrogen 3.097 N/A ASP 415.A N ASP 413.A OD1 no hydrogen 3.216 N/A ASP 417.A N ASP 413.A O no hydrogen 2.768 N/A ALA 418.A N LEU 414.A O no hydrogen 3.389 N/A SER 419.A N ASP 415.A O no hydrogen 2.929 N/A MET 420.A N GLY 416.A O no hydrogen 2.733 N/A ALA 421.A N ASP 417.A O no hydrogen 2.834 N/A LYS 422.A N ALA 418.A O no hydrogen 3.288 N/A LYS 422.A NZ GLU 105.A OE2 no hydrogen 2.655 N/A ILE 424.A N MET 420.A O no hydrogen 3.018 N/A THR 425.A N ALA 421.A O no hydrogen 3.130 N/A THR 425.A OG1 ALA 421.A O no hydrogen 2.805 N/A GLY 426.A N LYS 422.A O no hydrogen 3.093 N/A VAL 427.A N ALA 423.A O no hydrogen 2.937 N/A VAL 428.A N ILE 424.A O no hydrogen 3.234 N/A CYS 429.A N THR 425.A O no hydrogen 2.866 N/A CYS 429.A SG THR 425.A O no hydrogen 3.546 N/A TYR 430.A N GLY 426.A O no hydrogen 2.893 N/A ALA 431.A N VAL 427.A O no hydrogen 2.865 N/A CYS 432.A N VAL 428.A O no hydrogen 2.875 N/A ARG 433.A N CYS 429.A O no hydrogen 2.873 N/A ILE 434.A N TYR 430.A O no hydrogen 3.092 N/A ALA 435.A N ALA 431.A O no hydrogen 2.897 N/A SER 436.A N CYS 432.A O no hydrogen 3.087 N/A SER 436.A N ARG 433.A O no hydrogen 3.096 N/A THR 437.A N ARG 433.A O no hydrogen 3.100 N/A THR 437.A OG1 ARG 433.A O no hydrogen 3.280 N/A LEU 438.A N ILE 434.A O no hydrogen 2.788 N/A LEU 439.A N ALA 435.A O no hydrogen 3.400 N/A LEU 440.A N SER 436.A O no hydrogen 3.058 N/A TYR 441.A N THR 437.A O no hydrogen 2.898 N/A GLN 442.A N LEU 438.A O no hydrogen 2.980 N/A GLN 442.A NE2 LEU 438.A O no hydrogen 3.394 N/A GLU 443.A N LEU 439.A O no hydrogen 2.895 N/A LEU 444.A N LEU 440.A O no hydrogen 2.722 N/A MET 445.A N TYR 441.A O no hydrogen 2.912 N/A ARG 446.A N GLN 442.A O no hydrogen 3.079 N/A ARG 446.A NE GLU 443.A OE2 no hydrogen 3.269 N/A ARG 446.A NH1 ALA 537.A O no hydrogen 2.672 N/A ARG 446.A NH1 GLU 540.A O no hydrogen 3.165 N/A ARG 446.A NH2 THR 542.A O no hydrogen 2.535 N/A LYS 447.A N GLU 443.A O no hydrogen 3.053 N/A GLY 448.A N LEU 444.A O no hydrogen 2.732 N/A ILE 449.A N MET 445.A O no hydrogen 2.828 N/A ARG 450.A N ARG 446.A O no hydrogen 3.163 N/A TRP 451.A N LYS 447.A O no hydrogen 3.375 N/A LEU 452.A N GLY 448.A O no hydrogen 2.800 N/A ILE 453.A N ILE 449.A O no hydrogen 2.989 N/A GLU 454.A N ARG 450.A O no hydrogen 3.381 N/A LEU 455.A N TRP 451.A O no hydrogen 2.840 N/A ILE 456.A N LEU 452.A O no hydrogen 2.879 N/A LYS 457.A N ILE 453.A O no hydrogen 3.219 N/A LYS 457.A NZ GLU 454.A OE2 no hydrogen 3.297 N/A ASP 458.A N GLU 454.A O no hydrogen 3.341 N/A ASP 459.A N LEU 455.A O no hydrogen 2.960 N/A TYR 460.A N ILE 456.A O no hydrogen 2.732 N/A ASN 461.A N LYS 457.A O no hydrogen 2.902 N/A GLU 462.A N ASP 458.A O no hydrogen 2.859 N/A THR 463.A N ASP 459.A O no hydrogen 3.290 N/A THR 463.A N TYR 460.A O no hydrogen 3.093 N/A THR 463.A OG1 TYR 460.A O no hydrogen 2.907 N/A VAL 464.A N TYR 460.A O no hydrogen 2.992 N/A HIS 465.A N ASN 461.A O no hydrogen 2.913 N/A HIS 465.A ND1 HIS 465.A O no hydrogen 3.067 N/A LYS 466.A N THR 463.A O no hydrogen 2.954 N/A LYS 466.A NZ GLU 641.A OE2 no hydrogen 2.504 N/A LYS 467.A N THR 463.A O no hydrogen 2.796 N/A LYS 467.A NZ GLN 512.A OE1 no hydrogen 2.850 N/A LYS 467.A NZ GLU 516.A OE1 no hydrogen 2.898 N/A THR 468.A N VAL 464.A O no hydrogen 3.387 N/A THR 468.A OG1 VAL 464.A O no hydrogen 3.328 N/A THR 468.A OG1 HIS 465.A O no hydrogen 3.126 N/A GLU 469.A N LYS 466.A O no hydrogen 2.950 N/A VAL 470.A N LYS 466.A O no hydrogen 3.099 N/A VAL 471.A N LYS 467.A O no hydrogen 3.013 N/A THR 473.A N VAL 470.A O no hydrogen 3.163 N/A THR 473.A OG1 GLU 469.A O no hydrogen 3.061 N/A LEU 474.A N VAL 470.A O no hydrogen 2.486 N/A ASP 475.A N VAL 471.A O no hydrogen 2.960 N/A CYS 477.A N THR 473.A O no hydrogen 2.701 N/A ARG 479.A N LEU 474.A O no hydrogen 3.295 N/A ARG 479.A NE ASP 475.A O no hydrogen 2.712 N/A GLU 482.A N ILE 478.A O no hydrogen 3.030 N/A THR 484.A N ASN 480.A O no hydrogen 3.378 N/A THR 484.A OG1 ASN 480.A O no hydrogen 2.713 N/A LYS 486.A N GLU 482.A O no hydrogen 2.821 N/A VAL 487.A N GLU 482.A O no hydrogen 3.305 N/A ASP 500.A N GLY 496.A O no hydrogen 2.835 N/A ILE 501.A N GLU 497.A O no hydrogen 3.254 N/A THR 503.A N SER 499.A O no hydrogen 3.325 N/A THR 503.A OG1 SER 499.A O no hydrogen 2.746 N/A LYS 504.A N ASP 500.A O no hydrogen 2.851 N/A LYS 504.A NZ ASP 500.A OD1 no hydrogen 2.721 N/A LYS 504.A NZ ASP 500.A OD2 no hydrogen 3.216 N/A LEU 505.A N ILE 501.A O no hydrogen 2.733 N/A LEU 506.A N HIS 502.A O no hydrogen 3.100 N/A ARG 507.A N THR 503.A O no hydrogen 2.480 N/A LEU 508.A N LYS 504.A O no hydrogen 2.751 N/A SER 509.A N LEU 505.A O no hydrogen 2.804 N/A SER 509.A OG ASP 475.A OD1 no hydrogen 3.465 N/A SER 510.A N LEU 506.A O no hydrogen 2.988 N/A SER 510.A OG LEU 506.A O no hydrogen 2.474 N/A SER 510.A OG ARG 507.A O no hydrogen 3.211 N/A SER 511.A N ARG 507.A O no hydrogen 3.063 N/A SER 511.A OG ARG 507.A O no hydrogen 2.965 N/A SER 511.A OG LEU 508.A O no hydrogen 3.180 N/A GLN 512.A N LEU 508.A O no hydrogen 2.848 N/A GLY 513.A N SER 510.A O no hydrogen 3.121 N/A THR 514.A OG1 SER 511.A O no hydrogen 2.929 N/A ILE 515.A N SER 511.A O no hydrogen 3.327 N/A ILE 515.A N GLN 512.A O no hydrogen 3.060 N/A GLU 516.A N GLN 512.A O no hydrogen 3.305 N/A THR 517.A N GLY 513.A O no hydrogen 3.339 N/A SER 518.A N THR 514.A O no hydrogen 3.144 N/A SER 518.A OG THR 514.A O no hydrogen 3.458 N/A LEU 519.A N ILE 515.A O no hydrogen 2.935 N/A GLN 520.A N GLU 516.A O no hydrogen 3.086 N/A ILE 522.A N SER 518.A O no hydrogen 3.333 N/A ASP 523.A N LEU 519.A O no hydrogen 3.035 N/A SER 524.A N GLN 520.A O no hydrogen 2.933 N/A ARG 525.A N ASP 521.A O no hydrogen 2.964 N/A ARG 525.A NH1 GLN 629.A OE1 no hydrogen 2.691 N/A ARG 525.A NH2 GLN 629.A OE1 no hydrogen 3.555 N/A LEU 526.A N ILE 522.A O no hydrogen 3.184 N/A SER 527.A N SER 524.A O no hydrogen 3.310 N/A SER 527.A OG ASP 523.A O no hydrogen 2.473 N/A SER 527.A OG ASP 523.A OD1 no hydrogen 3.318 N/A GLY 530.A N SER 527.A O no hydrogen 3.012 N/A LEU 532.A N ARG 525.A O no hydrogen 3.004 N/A HIS 538.A N ASP 534.A O no hydrogen 3.344 N/A GLN 539.A N TRP 536.A O no hydrogen 3.060 N/A GLU 540.A N TRP 536.A O no hydrogen 2.810 N/A HIS 543.A N ASP 546.A OD2 no hydrogen 3.015 N/A ASP 546.A N HIS 543.A O no hydrogen 3.060 N/A ARG 547.A N PRO 544.A O no hydrogen 3.078 N/A ASN 548.A ND2 HIS 600.A NE2 no hydrogen 3.347 N/A GLU 550.A N GLU 550.A OE2 no hydrogen 2.653 N/A LYS 551.A N ARG 547.A O no hydrogen 3.091 N/A LEU 552.A N ASN 548.A O no hydrogen 2.799 N/A GLN 553.A N VAL 549.A O no hydrogen 2.880 N/A VAL 554.A N GLU 550.A O no hydrogen 2.963 N/A LEU 555.A N LYS 551.A O no hydrogen 3.424 N/A LEU 556.A N LEU 552.A O no hydrogen 2.915 N/A ASN 557.A N GLN 553.A O no hydrogen 2.929 N/A CYS 558.A N VAL 554.A O no hydrogen 3.477 N/A CYS 558.A SG VAL 554.A O no hydrogen 3.223 N/A MET 559.A N LEU 555.A O no hydrogen 3.133 N/A THR 560.A N LEU 556.A O no hydrogen 2.718 N/A THR 560.A OG1 LEU 556.A O no hydrogen 3.086 N/A GLU 561.A N ASN 557.A O no hydrogen 2.981 N/A ILE 562.A N CYS 558.A O no hydrogen 3.052 N/A TYR 563.A N MET 559.A O no hydrogen 2.938 N/A TYR 564.A N THR 560.A O no hydrogen 2.986 N/A GLN 565.A N GLU 561.A O no hydrogen 3.046 N/A GLN 565.A NE2 ASP 569.A OD1 no hydrogen 2.963 N/A PHE 566.A N ILE 562.A O no hydrogen 2.874 N/A LYS 567.A N TYR 563.A O no hydrogen 2.826 N/A LYS 568.A N TYR 564.A O no hydrogen 3.416 N/A LYS 568.A NZ TYR 564.A O no hydrogen 3.505 N/A LYS 568.A NZ GLN 565.A OE1 no hydrogen 3.297 N/A ASP 569.A N GLN 565.A O no hydrogen 2.631 N/A GLN 570.A N PHE 566.A O no hydrogen 2.867 N/A GLN 570.A N LYS 567.A O no hydrogen 3.225 N/A GLN 570.A NE2 ASP 415.A OD1 no hydrogen 2.908 N/A ALA 571.A N LYS 567.A O no hydrogen 3.266 N/A ALA 571.A N LYS 568.A O no hydrogen 2.991 N/A ARG 574.A NE ARG 573.A O no hydrogen 2.802 N/A GLU 579.A N GLU 579.A OE1 no hydrogen 2.604 N/A GLU 580.A N ALA 576.A O no hydrogen 2.795 N/A GLU 580.A N TYR 577.A O no hydrogen 2.994 N/A GLN 581.A N TYR 577.A O no hydrogen 3.373 N/A GLN 581.A N ASN 578.A O no hydrogen 3.247 N/A GLN 581.A NE2 TYR 577.A O no hydrogen 3.059 N/A GLN 581.A NE2 GLU 580.A OE1 no hydrogen 3.369 N/A ILE 582.A N ASN 578.A O no hydrogen 3.170 N/A HIS 583.A N GLU 579.A O no hydrogen 3.005 N/A HIS 583.A ND1 ASP 569.A OD2 no hydrogen 3.240 N/A HIS 583.A NE2 ASP 417.A OD2 no hydrogen 2.670 N/A LYS 584.A N GLU 580.A O no hydrogen 2.878 N/A LYS 584.A NZ GLU 580.A OE1 no hydrogen 3.375 N/A PHE 585.A N GLN 581.A O no hydrogen 2.750 N/A ASP 586.A N ILE 582.A O no hydrogen 2.671 N/A LYS 587.A N HIS 583.A O no hydrogen 3.110 N/A LYS 587.A NZ HIS 409.A O no hydrogen 2.603 N/A LYS 587.A NZ ASP 417.A OD1 no hydrogen 2.632 N/A LYS 589.A N PHE 585.A O no hydrogen 2.926 N/A LEU 590.A N ASP 586.A O no hydrogen 2.749 N/A TYR 591.A N LYS 587.A O no hydrogen 3.184 N/A TYR 592.A N GLN 588.A O no hydrogen 2.829 N/A HIS 593.A N LYS 589.A O no hydrogen 3.100 N/A ALA 594.A N LEU 590.A O no hydrogen 3.362 N/A THR 595.A N TYR 591.A O no hydrogen 3.169 N/A THR 595.A OG1 TYR 591.A O no hydrogen 2.834 N/A THR 595.A OG1 TYR 592.A O no hydrogen 3.031 N/A LYS 596.A N TYR 592.A O no hydrogen 3.019 N/A LYS 596.A NZ TYR 592.A OH no hydrogen 2.847 N/A ALA 597.A N HIS 593.A O no hydrogen 2.916 N/A MET 598.A N ALA 594.A O no hydrogen 2.886 N/A THR 599.A N THR 595.A O no hydrogen 2.952 N/A THR 599.A OG1 THR 595.A O no hydrogen 2.959 N/A HIS 600.A N LYS 596.A O no hydrogen 3.181 N/A PHE 601.A N ALA 597.A O no hydrogen 2.758 N/A THR 602.A N MET 598.A O no hydrogen 3.063 N/A THR 602.A OG1 MET 598.A O no hydrogen 2.514 N/A ASP 603.A N THR 599.A O no hydrogen 2.862 N/A GLU 604.A N HIS 600.A O no hydrogen 3.120 N/A CYS 605.A N HIS 600.A O no hydrogen 3.481 N/A CYS 605.A SG HIS 600.A O no hydrogen 3.631 N/A VAL 606.A N PHE 601.A O no hydrogen 2.967 N/A LYS 607.A N THR 602.A O no hydrogen 3.376 N/A LYS 608.A N GLU 604.A O no hydrogen 3.384 N/A LYS 608.A NZ GLU 604.A OE2 no hydrogen 2.869 N/A TYR 609.A N CYS 605.A O no hydrogen 3.138 N/A GLU 610.A N VAL 606.A O no hydrogen 2.833 N/A ALA 611.A N LYS 607.A O no hydrogen 2.733 N/A PHE 612.A N LYS 608.A O no hydrogen 2.844 N/A LEU 613.A N TYR 609.A O no hydrogen 2.667 N/A ASN 614.A N GLU 610.A O no hydrogen 3.126 N/A LYS 615.A N ALA 611.A O no hydrogen 3.255 N/A LYS 615.A NZ GLU 618.A OE2 no hydrogen 3.472 N/A SER 616.A N PHE 612.A O no hydrogen 2.908 N/A SER 616.A OG PHE 612.A O no hydrogen 2.850 N/A GLU 617.A N LEU 613.A O no hydrogen 2.919 N/A GLU 618.A N ASN 614.A O no hydrogen 2.859 N/A TRP 619.A N LYS 615.A O no hydrogen 3.325 N/A TRP 619.A N SER 616.A O no hydrogen 2.974 N/A ILE 620.A N SER 616.A O no hydrogen 3.053 N/A ILE 620.A N GLU 617.A O no hydrogen 3.268 N/A MET 623.A N TRP 619.A O no hydrogen 2.839 N/A LEU 624.A N ILE 620.A O no hydrogen 2.759 N/A HIS 625.A N ARG 621.A O no hydrogen 2.917 N/A LEU 626.A N LYS 622.A O no hydrogen 3.298 N/A ARG 627.A N MET 623.A O no hydrogen 3.111 N/A ARG 627.A NH1 GLU 357.A OE1 no hydrogen 2.989 N/A ARG 627.A NH1 GLU 357.A OE2 no hydrogen 3.443 N/A ARG 627.A NH2 GLU 357.A OE1 no hydrogen 2.874 N/A LYS 628.A N LEU 624.A O no hydrogen 3.255 N/A GLN 629.A N HIS 625.A O no hydrogen 3.142 N/A LEU 630.A N LEU 626.A O no hydrogen 2.842 N/A LEU 631.A N ARG 627.A O no hydrogen 2.968 N/A SER 632.A N LYS 628.A O no hydrogen 3.207 N/A LEU 633.A N GLN 629.A O no hydrogen 3.325 N/A THR 634.A N LEU 630.A O no hydrogen 2.894 N/A THR 634.A OG1 LEU 630.A O no hydrogen 2.778 N/A ASN 635.A N LEU 631.A O no hydrogen 2.896 N/A GLN 636.A N SER 632.A O no hydrogen 3.227 N/A GLN 636.A NE2 SER 632.A O no hydrogen 3.400 N/A CYS 637.A N LEU 633.A O no hydrogen 3.082 N/A CYS 637.A N THR 634.A O no hydrogen 3.178 N/A PHE 638.A N THR 634.A O no hydrogen 3.254 N/A ASP 639.A N ASN 635.A O no hydrogen 2.922 N/A ILE 640.A N GLN 636.A O no hydrogen 2.858 N/A GLU 641.A N CYS 637.A O no hydrogen 2.806 N/A GLU 642.A N PHE 638.A O no hydrogen 2.722 N/A GLU 642.A N ASP 639.A O no hydrogen 3.047 N/A GLU 643.A N ASP 639.A O no hydrogen 2.830 N/A VAL 644.A N ILE 640.A O no hydrogen 3.033 N/A SER 645.A N GLU 642.A O no hydrogen 3.043 N/A SER 645.A OG GLU 642.A O no hydrogen 2.404 N/A GLN 648.A N VAL 644.A O no hydrogen 3.101 N/A THR 651.A N TYR 647.A O no hydrogen 3.193 N/A ASN 652.A N GLN 648.A O no hydrogen 3.263 N/A ASN 652.A ND2 GLN 648.A OE1 no hydrogen 2.805 N/A GLU 653.A N TYR 650.A O no hydrogen 3.313 N/A GLN 655.A NE2 GLU 653.A OE1 no hydrogen 3.125 N/A