Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3apo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 39.A OD1 no hydrogen 2.413 N/A TYR 2.A OH ASP 39.A OD2 no hydrogen 3.292 N/A GLY 6.A N TYR 2.A O no hydrogen 2.899 N/A VAL 7.A N TYR 2.A O no hydrogen 3.081 N/A ALA 11.A N SER 8.A O no hydrogen 2.907 N/A SER 12.A N GLU 15.A OE1 no hydrogen 3.219 N/A ARG 14.A NE ASP 51.A O no hydrogen 3.204 N/A ARG 14.A NH1 ILE 56.A O no hydrogen 2.833 N/A ARG 14.A NH2 TYR 50.A O no hydrogen 2.709 N/A ARG 14.A NH2 ASP 51.A O no hydrogen 3.385 N/A ARG 14.A NH2 ASP 53.A O no hydrogen 3.091 N/A ARG 14.A NH2 ILE 56.A O no hydrogen 2.772 N/A GLU 15.A N SER 12.A OG no hydrogen 3.261 N/A ILE 16.A N SER 12.A O no hydrogen 2.937 N/A ARG 17.A N SER 13.A O no hydrogen 2.874 N/A GLN 18.A N ARG 14.A O no hydrogen 2.870 N/A ALA 19.A N GLU 15.A O no hydrogen 3.131 N/A PHE 20.A N ILE 16.A O no hydrogen 2.766 N/A LYS 21.A N ARG 17.A O no hydrogen 2.694 N/A LYS 22.A N PHE 20.A O no hydrogen 2.595 N/A TYR 26.A N ASN 23.A O no hydrogen 2.701 N/A VAL 28.A N ARG 24.A O no hydrogen 3.162 N/A LEU 29.A N ALA 25.A O no hydrogen 2.809 N/A LYS 30.A N TYR 26.A O no hydrogen 2.716 N/A LEU 34.A N ASP 31.A O no hydrogen 3.047 N/A ARG 35.A N ASP 31.A O no hydrogen 3.070 N/A ARG 35.A NE TYR 2.A OH no hydrogen 2.933 N/A ARG 35.A NH1 ALA 11.A O no hydrogen 3.264 N/A ARG 35.A NH2 TYR 2.A OH no hydrogen 3.535 N/A ARG 35.A NH2 LYS 9.A O no hydrogen 3.452 N/A ARG 35.A NH2 ALA 11.A O no hydrogen 3.004 N/A LYS 36.A N GLU 32.A O no hydrogen 3.241 N/A ASP 39.A N ARG 35.A O no hydrogen 2.971 N/A TYR 41.A N LYS 37.A O no hydrogen 3.162 N/A TYR 41.A N TYR 38.A O no hydrogen 3.122 N/A ASP 51.A N GLY 48.A O no hydrogen 3.417 N/A ASP 53.A N TYR 50.A O no hydrogen 3.188 N/A ILE 56.A N ASP 53.A O no hydrogen 3.054 N/A ILE 57.A N ILE 106.A O no hydrogen 2.919 N/A LEU 59.A N ALA 108.A O no hydrogen 2.801 N/A GLU 60.A N GLU 63.A OE2 no hydrogen 2.592 N/A ARG 62.A NH1 GLU 32.A OE1 no hydrogen 2.946 N/A ARG 62.A NH1 GLU 32.A OE2 no hydrogen 3.445 N/A ARG 62.A NH1 HIS 448.A O no hydrogen 3.393 N/A PHE 64.A N ARG 61.A O no hydrogen 3.240 N/A ALA 67.A N GLU 63.A O no hydrogen 2.980 N/A VAL 68.A N PHE 64.A O no hydrogen 3.039 N/A ASN 69.A N ASP 65.A O no hydrogen 3.219 N/A SER 70.A N ALA 67.A O no hydrogen 3.123 N/A SER 70.A OG ALA 67.A O no hydrogen 2.489 N/A TRP 74.A N PHE 124.A O no hydrogen 2.760 N/A PHE 75.A N ARG 105.A O no hydrogen 2.868 N/A VAL 76.A N PHE 122.A O no hydrogen 2.929 N/A ASN 77.A N GLY 107.A O no hydrogen 2.780 N/A PHE 78.A N SER 120.A O no hydrogen 2.803 N/A TYR 79.A N VAL 109.A O no hydrogen 3.096 N/A SER 80.A N SER 86.A OG no hydrogen 3.345 N/A SER 80.A OG PRO 81.A O no hydrogen 3.220 N/A GLY 82.A N ASP 46.A OD2 no hydrogen 3.101 N/A SER 83.A OG SER 86.A OG no hydrogen 2.781 N/A SER 84.A OG GLY 82.A O no hydrogen 3.564 N/A SER 86.A N SER 83.A O no hydrogen 2.972 N/A SER 86.A N SER 83.A OG no hydrogen 3.287 N/A SER 86.A OG SER 83.A OG no hydrogen 2.781 N/A HIS 87.A N SER 83.A O no hydrogen 3.190 N/A ASP 88.A N SER 84.A O no hydrogen 2.748 N/A LEU 89.A N SER 86.A O no hydrogen 3.364 N/A ALA 90.A N SER 86.A O no hydrogen 3.192 N/A THR 92.A OG1 LEU 89.A O no hydrogen 3.249 N/A TRP 93.A N LEU 89.A O no hydrogen 2.891 N/A ARG 94.A N ALA 90.A O no hydrogen 3.130 N/A GLU 95.A N PRO 91.A O no hydrogen 3.230 N/A PHE 96.A N THR 92.A O no hydrogen 2.739 N/A ALA 97.A N TRP 93.A O no hydrogen 3.253 N/A LYS 98.A N ARG 94.A O no hydrogen 3.136 N/A GLU 99.A N GLU 95.A O no hydrogen 2.771 N/A VAL 100.A N PHE 96.A O no hydrogen 3.137 N/A LEU 103.A N VAL 100.A O no hydrogen 2.726 N/A LEU 104.A N VAL 100.A O no hydrogen 3.313 N/A ARG 105.A N LEU 73.A O no hydrogen 2.790 N/A ARG 105.A NE GLU 72.A OE2 no hydrogen 2.761 N/A ARG 105.A NH2 GLU 72.A OE2 no hydrogen 3.263 N/A GLY 107.A N PHE 75.A O no hydrogen 3.115 N/A ALA 108.A N ILE 57.A O no hydrogen 2.897 N/A VAL 109.A N ASN 77.A O no hydrogen 2.841 N/A CYS 111.A N TYR 79.A O no hydrogen 3.259 N/A ASP 113.A N ASN 110.A OD1 no hydrogen 3.159 N/A ASP 114.A N ASN 110.A O no hydrogen 3.011 N/A ARG 115.A NE CYS 111.A O no hydrogen 3.265 N/A ARG 115.A NH2 GLY 112.A O no hydrogen 3.495 N/A LEU 117.A N ASP 114.A OD2 no hydrogen 3.242 N/A CYS 118.A N ARG 115.A O no hydrogen 2.709 N/A CYS 118.A SG ASP 114.A O no hydrogen 3.324 N/A SER 120.A N PHE 78.A O no hydrogen 2.827 N/A PHE 122.A N VAL 76.A O no hydrogen 3.177 N/A ILE 123.A N VAL 131.A O no hydrogen 2.884 N/A PHE 124.A N TRP 74.A O no hydrogen 2.843 N/A ARG 125.A NH1 HIS 149.A O no hydrogen 3.010 N/A MET 128.A N ARG 125.A O no hydrogen 3.196 N/A VAL 131.A N ILE 123.A O no hydrogen 3.069 N/A TYR 133.A N LEU 121.A O no hydrogen 2.827 N/A TYR 133.A OH ASP 136.A O no hydrogen 2.666 N/A TYR 133.A OH SER 141.A OG no hydrogen 2.359 N/A SER 141.A OG TYR 133.A OH no hydrogen 2.359 N/A SER 141.A OG ASP 136.A OD1 no hydrogen 3.261 N/A LEU 142.A N SER 138.A O no hydrogen 3.007 N/A VAL 143.A N LYS 139.A O no hydrogen 2.803 N/A ALA 144.A N GLU 140.A O no hydrogen 3.331 N/A PHE 145.A N SER 141.A O no hydrogen 3.057 N/A ALA 146.A N LEU 142.A O no hydrogen 3.089 N/A MET 147.A N VAL 143.A O no hydrogen 2.891 N/A GLN 148.A N ALA 144.A O no hydrogen 2.986 N/A HIS 149.A N ALA 146.A O no hydrogen 3.102 N/A VAL 150.A N MET 147.A O no hydrogen 3.090 N/A THR 155.A N VAL 206.A O no hydrogen 2.984 N/A THR 155.A OG1 VAL 206.A O no hydrogen 3.453 N/A LEU 157.A N TRP 208.A O no hydrogen 2.821 N/A SER 158.A OG ASN 161.A OD1 no hydrogen 3.200 N/A ASN 161.A N SER 158.A OG no hydrogen 2.997 N/A PHE 162.A N SER 158.A O no hydrogen 2.774 N/A VAL 163.A N THR 159.A O no hydrogen 3.223 N/A ASN 164.A N GLY 160.A O no hydrogen 3.190 N/A ALA 165.A N ASN 161.A O no hydrogen 2.766 N/A ILE 166.A N PHE 162.A O no hydrogen 2.905 N/A GLU 167.A N VAL 163.A O no hydrogen 2.830 N/A THR 168.A N ASN 164.A O no hydrogen 3.022 N/A THR 168.A N ALA 165.A O no hydrogen 3.288 N/A THR 168.A OG1 ASN 164.A O no hydrogen 2.764 N/A THR 168.A OG1 ALA 165.A O no hydrogen 3.392 N/A ALA 169.A N ILE 166.A O no hydrogen 3.297 N/A ALA 172.A N THR 168.A O no hydrogen 3.310 N/A GLY 173.A N PHE 170.A O no hydrogen 3.053 N/A VAL 174.A N ALA 169.A O no hydrogen 3.479 N/A TRP 176.A N PHE 226.A O no hydrogen 3.026 N/A LEU 177.A N ASN 205.A O no hydrogen 2.773 N/A ILE 178.A N ALA 224.A O no hydrogen 2.847 N/A THR 179.A N GLY 207.A O no hydrogen 3.225 N/A THR 179.A OG1 THR 223.A OG1 no hydrogen 2.833 N/A PHE 180.A N THR 222.A O no hydrogen 2.931 N/A CYS 181.A N VAL 209.A O no hydrogen 2.925 N/A CYS 181.A SG VAL 209.A O no hydrogen 4.018 N/A GLU 185.A N SER 182.A O no hydrogen 3.265 N/A CYS 187.A SG LEU 188.A O no hydrogen 3.701 N/A ARG 193.A N THR 189.A O no hydrogen 2.983 N/A LEU 194.A N SER 190.A O no hydrogen 3.277 N/A ARG 195.A N GLN 191.A O no hydrogen 2.821 N/A ARG 195.A NH1 GLU 99.A OE2 no hydrogen 2.425 N/A LEU 196.A N THR 192.A O no hydrogen 2.812 N/A SER 197.A N ARG 193.A O no hydrogen 2.884 N/A SER 197.A OG THR 153.A O no hydrogen 3.019 N/A GLY 198.A N LEU 194.A O no hydrogen 2.985 N/A MET 199.A N ARG 195.A O no hydrogen 2.881 N/A LEU 200.A N LEU 196.A O no hydrogen 2.934 N/A ASP 201.A N GLY 198.A O no hydrogen 3.266 N/A LEU 203.A N LEU 200.A O no hydrogen 2.852 N/A VAL 204.A N LEU 200.A O no hydrogen 3.075 N/A ASN 205.A N GLY 175.A O no hydrogen 2.880 N/A GLY 207.A N LEU 177.A O no hydrogen 2.945 N/A TRP 208.A N THR 155.A O no hydrogen 3.269 N/A VAL 209.A N THR 179.A O no hydrogen 2.857 N/A CYS 211.A N CYS 181.A O no hydrogen 2.629 N/A ASP 212.A N ASP 210.A OD1 no hydrogen 3.007 N/A ALA 213.A N ASP 210.A OD1 no hydrogen 3.375 N/A GLN 214.A N ASP 210.A O no hydrogen 2.786 N/A GLN 214.A NE2 THR 159.A OG1 no hydrogen 2.433 N/A SER 216.A N ASP 215.A OD1 no hydrogen 2.732 N/A SER 216.A OG ASP 215.A OD1 no hydrogen 3.394 N/A CYS 218.A N GLN 214.A O no hydrogen 3.120 N/A CYS 218.A SG GLN 214.A O no hydrogen 3.437 N/A LYS 219.A N SER 216.A O no hydrogen 3.210 N/A SER 220.A N LEU 217.A O no hydrogen 3.124 N/A SER 220.A OG LEU 217.A O no hydrogen 2.849 N/A THR 223.A N LEU 243.A O no hydrogen 2.897 N/A THR 223.A OG1 THR 179.A OG1 no hydrogen 2.833 N/A ALA 224.A N ILE 178.A O no hydrogen 2.877 N/A TYR 225.A N LEU 241.A O no hydrogen 2.772 N/A PHE 226.A N TRP 176.A O no hydrogen 2.708 N/A ALA 230.A N PRO 227.A O no hydrogen 2.911 N/A THR 231.A OG1 ASN 233.A OD1 no hydrogen 3.067 N/A THR 231.A OG1 GLU 236.A OE1 no hydrogen 3.335 N/A ASN 233.A N THR 231.A OG1 no hydrogen 3.082 N/A GLU 236.A N ASN 233.A O no hydrogen 3.284 N/A LYS 237.A N ASN 233.A O no hydrogen 2.891 N/A SER 239.A N GLU 236.A O no hydrogen 3.140 N/A SER 239.A OG GLU 236.A O no hydrogen 3.215 N/A VAL 240.A N LYS 237.A O no hydrogen 3.119 N/A LEU 241.A N TYR 225.A O no hydrogen 2.791 N/A LEU 243.A N THR 223.A O no hydrogen 2.691 N/A SER 245.A OG GLU 250.A OE1 no hydrogen 2.851 N/A ASP 247.A N SER 245.A OG no hydrogen 3.073 N/A LYS 249.A NZ ASP 247.A OD1 no hydrogen 2.653 N/A GLU 250.A N ASP 247.A OD2 no hydrogen 2.865 N/A ILE 251.A N ASP 247.A O no hydrogen 3.015 N/A TYR 252.A N ALA 248.A O no hydrogen 2.759 N/A MET 253.A N LYS 249.A O no hydrogen 2.915 N/A GLU 254.A N GLU 250.A O no hydrogen 3.314 N/A ILE 255.A N ILE 251.A O no hydrogen 3.006 N/A ILE 256.A N TYR 252.A O no hydrogen 2.772 N/A HIS 257.A N MET 253.A O no hydrogen 3.210 N/A HIS 257.A ND1 MET 253.A O no hydrogen 3.128 N/A ASN 258.A N ILE 255.A O no hydrogen 2.860 N/A LEU 259.A N ILE 255.A O no hydrogen 2.977 N/A PHE 262.A N ASP 261.A OD1 no hydrogen 2.801 N/A LEU 265.A N ARG 307.A O no hydrogen 3.113 N/A SER 266.A N GLN 269.A OE1 no hydrogen 3.063 N/A GLN 269.A N SER 266.A OG no hydrogen 2.989 N/A LEU 270.A N SER 266.A O no hydrogen 2.892 N/A GLU 271.A N ALA 267.A O no hydrogen 3.038 N/A ASP 272.A N ASN 268.A O no hydrogen 3.005 N/A ARG 273.A N GLN 269.A O no hydrogen 3.056 N/A ARG 273.A NH1 GLN 269.A O no hydrogen 3.149 N/A LEU 274.A N LEU 270.A O no hydrogen 2.740 N/A ARG 278.A NE GLU 301.A O no hydrogen 3.468 N/A ARG 278.A NH2 GLU 301.A O no hydrogen 2.857 N/A TRP 279.A N PHE 330.A O no hydrogen 3.093 N/A TRP 279.A NE1 ARG 273.A O no hydrogen 2.941 N/A LEU 280.A N GLN 304.A O no hydrogen 2.755 N/A VAL 281.A N ALA 328.A O no hydrogen 2.599 N/A PHE 282.A N VAL 306.A O no hydrogen 2.932 N/A PHE 283.A N SER 326.A O no hydrogen 2.742 N/A HIS 284.A N PHE 308.A O no hydrogen 3.019 N/A GLY 286.A N ASP 309.A OD1 no hydrogen 3.017 N/A GLU 290.A N ASP 288.A OD1 no hydrogen 2.992 N/A LEU 291.A N ASP 288.A O no hydrogen 3.063 N/A LYS 292.A N PRO 289.A O no hydrogen 2.976 N/A LYS 292.A NZ ILE 256.A O no hydrogen 2.845 N/A LYS 292.A NZ LEU 259.A O no hydrogen 2.623 N/A LYS 293.A N GLU 290.A O no hydrogen 2.868 N/A LYS 293.A NZ MET 199.A O no hydrogen 2.787 N/A LYS 293.A NZ TYR 252.A OH no hydrogen 2.876 N/A LEU 294.A N LEU 291.A O no hydrogen 2.824 N/A THR 296.A OG1 ASP 201.A O no hydrogen 3.515 N/A LEU 297.A N LYS 293.A O no hydrogen 3.368 N/A LEU 298.A N LEU 294.A O no hydrogen 3.127 N/A LYS 299.A N THR 296.A O no hydrogen 3.161 N/A GLU 301.A N LEU 298.A O no hydrogen 3.080 N/A HIS 302.A N LYS 299.A O no hydrogen 3.201 N/A ILE 303.A N LEU 298.A O no hydrogen 3.392 N/A GLN 304.A N ARG 278.A O no hydrogen 3.011 N/A VAL 306.A N LEU 280.A O no hydrogen 2.899 N/A ARG 307.A N GLU 263.A O no hydrogen 2.925 N/A ARG 307.A NE PHE 262.A O no hydrogen 2.799 N/A PHE 308.A N PHE 282.A O no hydrogen 2.705 N/A CYS 310.A N HIS 284.A O no hydrogen 2.805 N/A SER 311.A N ASP 309.A OD1 no hydrogen 2.833 N/A SER 312.A N ASP 309.A O no hydrogen 2.817 N/A SER 312.A OG ASP 309.A O no hydrogen 2.829 N/A ALA 313.A N CYS 310.A O no hydrogen 2.932 N/A ILE 316.A N ALA 313.A O no hydrogen 3.192 N/A SER 318.A N PRO 314.A O no hydrogen 2.768 N/A SER 318.A OG PRO 314.A O no hydrogen 3.562 N/A ASP 319.A N GLY 315.A O no hydrogen 3.135 N/A LEU 320.A N CYS 317.A O no hydrogen 2.998 N/A TYR 321.A N SER 318.A O no hydrogen 3.052 N/A VAL 322.A N CYS 317.A O no hydrogen 2.827 N/A SER 326.A N PHE 283.A O no hydrogen 3.029 N/A SER 326.A OG GLN 324.A O no hydrogen 2.810 N/A ALA 328.A N VAL 281.A O no hydrogen 2.950 N/A VAL 329.A N GLU 339.A O no hydrogen 2.991 N/A PHE 330.A N TRP 279.A O no hydrogen 2.751 N/A LYS 331.A N GLU 337.A O no hydrogen 3.160 N/A LYS 331.A NZ SER 357.A O no hydrogen 3.158 N/A LYS 331.A NZ VAL 362.A O no hydrogen 3.513 N/A GLY 334.A N LEU 274.A O no hydrogen 2.874 N/A LYS 336.A N GLN 333.A O no hydrogen 3.194 N/A LYS 336.A NZ THR 335.A OG1 no hydrogen 2.837 N/A GLU 339.A N VAL 329.A O no hydrogen 3.061 N/A HIS 341.A N LEU 327.A O no hydrogen 2.833 N/A HIS 341.A NE2 ASP 349.A OD2 no hydrogen 2.615 N/A LYS 345.A NZ HIS 341.A ND1 no hydrogen 3.098 N/A LYS 345.A NZ GLY 343.A O no hydrogen 2.779 N/A ILE 346.A N LYS 344.A O no hydrogen 2.946 N/A ILE 350.A N ILE 346.A O no hydrogen 2.943 N/A LEU 351.A N LEU 347.A O no hydrogen 2.781 N/A ALA 352.A N TYR 348.A O no hydrogen 2.967 N/A PHE 353.A N ASP 349.A O no hydrogen 2.949 N/A ALA 354.A N ILE 350.A O no hydrogen 2.936 N/A LYS 355.A N LEU 351.A O no hydrogen 3.125 N/A LYS 355.A NZ SER 70.A O no hydrogen 2.779 N/A LYS 355.A NZ LEU 297.A O no hydrogen 3.220 N/A GLU 356.A N ALA 352.A O no hydrogen 3.069 N/A SER 357.A N PHE 353.A O no hydrogen 2.941 N/A SER 357.A OG GLU 339.A OE2 no hydrogen 2.656 N/A VAL 358.A N ALA 354.A O no hydrogen 3.114 N/A ASN 359.A N LYS 355.A O no hydrogen 3.189 N/A ASN 359.A ND2 GLU 301.A OE1 no hydrogen 3.031 N/A SER 360.A N SER 357.A O no hydrogen 3.056 N/A SER 360.A OG GLU 356.A O no hydrogen 2.903 N/A SER 360.A OG SER 357.A O no hydrogen 3.171 N/A HIS 361.A N SER 401.A OG no hydrogen 2.972 N/A THR 363.A N VAL 410.A O no hydrogen 2.891 N/A THR 363.A OG1 GLU 337.A OE1 no hydrogen 2.798 N/A THR 363.A OG1 GLU 337.A OE2 no hydrogen 2.863 N/A THR 364.A OG1 TYR 338.A O no hydrogen 2.660 N/A LEU 365.A N THR 412.A O no hydrogen 2.813 N/A GLY 366.A N ASN 369.A OD1 no hydrogen 2.551 N/A ASN 369.A N GLN 368.A OE1 no hydrogen 3.223 N/A ASN 369.A ND2 THR 364.A O no hydrogen 3.016 N/A ALA 372.A N PHE 370.A O no hydrogen 2.434 N/A GLU 376.A N ASP 374.A OD1 no hydrogen 3.241 N/A TRP 378.A N PHE 436.A O no hydrogen 2.770 N/A TRP 378.A NE1 ASP 374.A OD2 no hydrogen 2.763 N/A LEU 379.A N LYS 409.A O no hydrogen 2.729 N/A VAL 380.A N VAL 434.A O no hydrogen 2.852 N/A ASP 381.A N GLY 411.A O no hydrogen 2.922 N/A PHE 382.A N THR 432.A O no hydrogen 2.870 N/A PHE 383.A N LEU 413.A O no hydrogen 2.972 N/A SER 387.A N ALA 384.A O no hydrogen 3.100 N/A SER 387.A OG SER 390.A OG no hydrogen 2.884 N/A SER 390.A N SER 387.A OG no hydrogen 2.990 N/A SER 390.A OG SER 387.A OG no hydrogen 2.884 N/A ARG 391.A N SER 387.A O no hydrogen 2.883 N/A ARG 391.A NH1 PRO 385.A O no hydrogen 3.210 N/A ALA 392.A N PRO 388.A O no hydrogen 3.118 N/A LEU 393.A N PRO 389.A O no hydrogen 3.212 N/A LEU 394.A N SER 390.A O no hydrogen 3.453 N/A LEU 397.A N LEU 393.A O no hydrogen 3.066 N/A ARG 398.A N LEU 394.A O no hydrogen 3.029 N/A ARG 398.A NE GLU 339.A OE1 no hydrogen 3.051 N/A ARG 398.A NE GLU 339.A OE2 no hydrogen 2.853 N/A ARG 398.A NH1 GLU 356.A OE1 no hydrogen 2.931 N/A ARG 398.A NH2 GLU 339.A OE1 no hydrogen 3.111 N/A LYS 399.A N PRO 395.A O no hydrogen 2.884 N/A LYS 399.A NZ ARG 62.A O no hydrogen 3.269 N/A LYS 399.A NZ GLU 396.A OE2 no hydrogen 2.736 N/A ALA 400.A N GLU 396.A O no hydrogen 2.919 N/A SER 401.A N LEU 397.A O no hydrogen 2.870 N/A SER 401.A OG ARG 398.A O no hydrogen 2.743 N/A THR 402.A N ARG 398.A O no hydrogen 3.295 N/A THR 402.A N LYS 399.A O no hydrogen 3.163 N/A THR 402.A OG1 LYS 399.A O no hydrogen 3.100 N/A LEU 404.A N SER 401.A O no hydrogen 3.240 N/A GLN 407.A N LEU 404.A O no hydrogen 2.882 N/A LEU 408.A N LEU 404.A O no hydrogen 3.130 N/A LYS 409.A N PRO 377.A O no hydrogen 3.165 N/A GLY 411.A N LEU 379.A O no hydrogen 2.912 N/A THR 412.A N THR 363.A O no hydrogen 2.822 N/A THR 412.A OG1 THR 363.A O no hydrogen 3.547 N/A LEU 413.A N ASP 381.A O no hydrogen 2.764 N/A CYS 415.A N PHE 383.A O no hydrogen 2.784 N/A CYS 415.A SG LEU 413.A O no hydrogen 3.991 N/A ILE 417.A N ASP 414.A O no hydrogen 3.071 N/A ILE 417.A N ASP 414.A OD1 no hydrogen 3.302 N/A HIS 418.A N ASP 414.A O no hydrogen 2.900 N/A CYS 422.A N HIS 418.A O no hydrogen 3.039 N/A CYS 422.A SG HIS 418.A O no hydrogen 3.690 N/A ASN 423.A N GLU 419.A O no hydrogen 2.735 N/A MET 424.A N GLY 420.A O no hydrogen 2.977 N/A TYR 425.A N CYS 422.A O no hydrogen 3.242 N/A ASN 426.A N ASN 423.A O no hydrogen 2.889 N/A ILE 427.A N CYS 422.A O no hydrogen 3.276 N/A GLN 428.A NE2 ASN 426.A OD1 no hydrogen 3.161 N/A THR 432.A N PHE 382.A O no hydrogen 2.814 N/A THR 432.A OG1 ALA 429.A O no hydrogen 2.526 N/A VAL 434.A N VAL 380.A O no hydrogen 2.934 N/A VAL 435.A N HIS 442.A O no hydrogen 2.804 N/A PHE 436.A N TRP 378.A O no hydrogen 2.780 N/A ASN 437.A N SER 440.A O no hydrogen 3.089 N/A GLN 438.A N LYS 375.A O no hydrogen 3.185 N/A SER 440.A N ASN 437.A O no hydrogen 2.995 N/A SER 440.A OG HIS 442.A NE2 no hydrogen 2.739 N/A HIS 442.A N VAL 435.A O no hydrogen 2.885 N/A TYR 444.A N THR 433.A O no hydrogen 2.888 N/A TYR 444.A OH HIS 447.A O no hydrogen 2.768 N/A ALA 450.A N GLU 396.A OE1 no hydrogen 3.000 N/A ILE 453.A N SER 449.A O no hydrogen 2.992 N/A LEU 454.A N ALA 450.A O no hydrogen 2.988 N/A GLU 455.A N GLU 451.A O no hydrogen 2.956 N/A PHE 456.A N GLN 452.A O no hydrogen 3.104 N/A ILE 457.A N ILE 453.A O no hydrogen 3.032 N/A GLU 458.A N LEU 454.A O no hydrogen 2.841 N/A ASP 459.A N GLU 455.A O no hydrogen 3.016 N/A LEU 460.A N PHE 456.A O no hydrogen 3.140 N/A ARG 461.A N ILE 457.A O no hydrogen 2.984 N/A ARG 461.A NH1 GLU 458.A OE1 no hydrogen 3.418 N/A ASN 462.A N GLU 458.A O no hydrogen 2.816 N/A VAL 466.A N VAL 518.A O no hydrogen 2.768 N/A LEU 468.A N SER 520.A O no hydrogen 2.839 N/A THR 469.A N THR 472.A OG1 no hydrogen 2.729 N/A THR 469.A OG1 THR 472.A OG1 no hydrogen 2.853 N/A THR 472.A N THR 469.A OG1 no hydrogen 2.576 N/A THR 472.A OG1 THR 469.A OG1 no hydrogen 2.853 N/A PHE 473.A N THR 469.A O no hydrogen 2.800 N/A ASN 474.A N PRO 470.A O no hydrogen 3.322 N/A GLU 475.A N SER 471.A O no hydrogen 3.043 N/A LEU 476.A N THR 472.A O no hydrogen 2.807 N/A VAL 477.A N PHE 473.A O no hydrogen 2.896 N/A LYS 478.A N PHE 473.A O no hydrogen 3.112 N/A GLN 479.A N ASN 474.A O no hydrogen 3.196 N/A GLN 479.A NE2 ASN 474.A OD1 no hydrogen 2.732 N/A ARG 480.A N VAL 477.A O no hydrogen 3.079 N/A ARG 480.A NE PRO 545.A O no hydrogen 3.012 N/A ARG 480.A NH1 VAL 477.A O no hydrogen 3.096 N/A ARG 480.A NH2 PRO 545.A O no hydrogen 2.715 N/A GLU 484.A N LYS 481.A O no hydrogen 3.077 N/A TRP 486.A N TYR 544.A O no hydrogen 3.054 N/A MET 487.A N ASN 517.A O no hydrogen 2.919 N/A VAL 488.A N ARG 542.A O no hydrogen 2.879 N/A ASP 489.A N GLY 519.A O no hydrogen 3.043 N/A PHE 490.A N GLU 540.A O no hydrogen 2.946 N/A TYR 491.A N VAL 521.A O no hydrogen 3.019 N/A TRP 494.A N SER 492.A OG no hydrogen 3.053 N/A SER 495.A N SER 492.A O no hydrogen 3.171 N/A SER 495.A OG SER 498.A OG no hydrogen 3.146 N/A SER 495.A OG TYR 538.A O no hydrogen 3.311 N/A SER 498.A OG SER 495.A OG no hydrogen 3.146 N/A GLN 499.A N SER 495.A O no hydrogen 2.945 N/A GLN 499.A NE2 PRO 493.A O no hydrogen 2.820 N/A VAL 500.A N HIS 496.A O no hydrogen 2.895 N/A LEU 501.A N PRO 497.A O no hydrogen 2.952 N/A MET 502.A N SER 498.A O no hydrogen 2.989 N/A TRP 505.A N LEU 501.A O no hydrogen 2.722 N/A TRP 505.A NE1 GLY 519.A O no hydrogen 3.019 N/A LYS 506.A N MET 502.A O no hydrogen 2.858 N/A ARG 507.A N PRO 503.A O no hydrogen 3.218 N/A ARG 507.A NH1 GLU 504.A OE1 no hydrogen 3.028 N/A ARG 507.A NH2 GLU 504.A OE2 no hydrogen 2.656 N/A MET 508.A N GLU 504.A O no hydrogen 2.989 N/A ALA 509.A N TRP 505.A O no hydrogen 3.089 N/A ARG 510.A N LYS 506.A O no hydrogen 3.350 N/A ARG 510.A NH2 ASP 459.A OD2 no hydrogen 2.862 N/A THR 511.A OG1 ARG 507.A O no hydrogen 3.490 N/A LEU 512.A N ALA 509.A O no hydrogen 2.988 N/A THR 513.A OG1 ARG 510.A O no hydrogen 3.095 N/A LEU 515.A N LEU 512.A O no hydrogen 2.704 N/A ILE 516.A N LEU 512.A O no hydrogen 3.127 N/A ASN 517.A N VAL 485.A O no hydrogen 3.130 N/A GLY 519.A N MET 487.A O no hydrogen 2.844 N/A SER 520.A N VAL 466.A O no hydrogen 2.959 N/A VAL 521.A N ASP 489.A O no hydrogen 2.749 N/A CYS 523.A N TYR 491.A O no hydrogen 2.749 N/A CYS 523.A SG VAL 521.A O no hydrogen 3.853 N/A GLY 524.A N ASP 522.A OD1 no hydrogen 2.706 N/A GLN 525.A N ASP 522.A OD1 no hydrogen 2.973 N/A TYR 526.A N ASP 522.A O no hydrogen 3.007 N/A CYS 530.A N TYR 526.A O no hydrogen 2.994 N/A CYS 530.A SG TYR 526.A O no hydrogen 3.785 N/A THR 531.A N HIS 527.A O no hydrogen 2.887 N/A THR 531.A OG1 HIS 527.A O no hydrogen 3.091 N/A GLN 532.A N SER 528.A O no hydrogen 2.812 N/A GLU 533.A N PHE 529.A O no hydrogen 3.123 N/A ASN 534.A N THR 531.A O no hydrogen 3.106 N/A VAL 535.A N CYS 530.A O no hydrogen 3.019 N/A GLN 536.A NE2 ASN 534.A OD1 no hydrogen 2.963 N/A ARG 537.A NE GLU 540.A OE1 no hydrogen 2.763 N/A ARG 537.A NH1 ASN 558.A OD1 no hydrogen 2.963 N/A ARG 537.A NH2 GLU 540.A OE1 no hydrogen 2.854 N/A GLU 540.A N PHE 490.A O no hydrogen 2.929 N/A ARG 542.A N VAL 488.A O no hydrogen 3.131 N/A ARG 542.A NE GLU 540.A OE2 no hydrogen 2.702 N/A ARG 542.A NH1 GLU 533.A O no hydrogen 2.785 N/A ARG 542.A NH2 GLU 533.A O no hydrogen 3.102 N/A ARG 542.A NH2 ASN 534.A O no hydrogen 3.374 N/A ARG 542.A NH2 GLU 540.A OE2 no hydrogen 3.365 N/A PHE 543.A N HIS 555.A O no hydrogen 2.818 N/A TYR 544.A N TRP 486.A O no hydrogen 2.666 N/A LYS 547.A N HIS 482.A O no hydrogen 2.939 N/A LYS 547.A NZ LYS 478.A O no hydrogen 2.730 N/A LYS 547.A NZ ARG 480.A O no hydrogen 2.968 N/A LYS 550.A N SER 548.A OG no hydrogen 3.253 N/A HIS 555.A N PHE 543.A O no hydrogen 2.919 N/A SER 556.A OG GLU 540.A OE1 no hydrogen 3.378 N/A SER 556.A OG GLU 540.A OE2 no hydrogen 2.577 N/A TYR 557.A N ILE 541.A O no hydrogen 2.896 N/A TYR 557.A OH ASN 561.A O no hydrogen 2.622 N/A ALA 564.A N GLU 504.A OE1 no hydrogen 3.021 N/A SER 566.A N ASP 563.A OD2 no hydrogen 2.980 N/A SER 566.A OG ASP 563.A OD1 no hydrogen 2.895 N/A SER 566.A OG ASP 563.A OD2 no hydrogen 3.191 N/A LEU 567.A N ASP 563.A O no hydrogen 3.108 N/A ARG 568.A N ALA 564.A O no hydrogen 2.784 N/A ARG 568.A NE GLU 616.A OE1 no hydrogen 2.971 N/A ARG 568.A NH1 THR 511.A O no hydrogen 3.171 N/A ARG 568.A NH2 GLU 616.A OE1 no hydrogen 2.863 N/A ARG 568.A NH2 GLU 616.A OE2 no hydrogen 2.951 N/A SER 569.A N TYR 565.A O no hydrogen 2.918 N/A SER 569.A OG ASN 612.A O no hydrogen 3.083 N/A TRP 570.A N SER 566.A O no hydrogen 2.913 N/A GLY 571.A N LEU 567.A O no hydrogen 2.938 N/A LEU 572.A N ARG 568.A O no hydrogen 2.905 N/A GLY 573.A N SER 569.A O no hydrogen 3.048 N/A PHE 574.A N GLY 571.A O no hydrogen 3.139 N/A LEU 575.A N LEU 572.A O no hydrogen 3.247 N/A GLN 577.A NE2 SER 579.A OG no hydrogen 3.162 N/A GLN 577.A NE2 ASP 581.A OD2 no hydrogen 3.332 N/A ALA 578.A N GLU 618.A OE1 no hydrogen 2.770 N/A SER 579.A N GLU 618.A OE1 no hydrogen 2.953 N/A SER 579.A OG GLU 618.A OE1 no hydrogen 3.353 N/A SER 579.A OG GLU 618.A OE2 no hydrogen 2.553 N/A ILE 580.A N ALA 630.A O no hydrogen 2.894 N/A LEU 582.A N LYS 632.A O no hydrogen 2.939 N/A THR 583.A N THR 586.A OG1 no hydrogen 2.862 N/A THR 583.A OG1 THR 586.A OG1 no hydrogen 3.277 N/A GLN 585.A NE2 GLU 589.A OE2 no hydrogen 3.213 N/A THR 586.A N THR 583.A OG1 no hydrogen 3.165 N/A THR 586.A OG1 THR 583.A O no hydrogen 3.427 N/A THR 586.A OG1 THR 583.A OG1 no hydrogen 3.277 N/A PHE 587.A N THR 583.A O no hydrogen 2.756 N/A ASN 588.A N PRO 584.A O no hydrogen 3.038 N/A GLU 589.A N GLN 585.A O no hydrogen 2.856 N/A LYS 590.A N THR 586.A O no hydrogen 2.848 N/A VAL 591.A N PHE 587.A O no hydrogen 3.124 N/A LEU 592.A N PHE 587.A O no hydrogen 3.203 N/A GLN 593.A N ASN 588.A O no hydrogen 2.694 N/A HIS 597.A NE2 TYR 658.A O no hydrogen 3.206 N/A TRP 598.A N TYR 656.A O no hydrogen 2.836 N/A VAL 599.A N ARG 629.A O no hydrogen 2.891 N/A VAL 600.A N LYS 654.A O no hydrogen 2.870 N/A ASP 601.A N GLY 631.A O no hydrogen 2.956 N/A PHE 602.A N SER 652.A O no hydrogen 2.707 N/A TYR 603.A N VAL 633.A O no hydrogen 2.919 N/A ALA 604.A N SER 610.A OG no hydrogen 3.296 N/A SER 607.A N ALA 604.A O no hydrogen 2.880 N/A SER 607.A OG SER 610.A OG no hydrogen 2.913 N/A SER 607.A OG TYR 650.A O no hydrogen 3.563 N/A SER 610.A N SER 607.A OG no hydrogen 3.148 N/A SER 610.A OG ALA 604.A O no hydrogen 3.359 N/A SER 610.A OG SER 607.A OG no hydrogen 2.913 N/A GLN 611.A N SER 607.A O no hydrogen 2.912 N/A GLN 611.A NE2 PRO 605.A O no hydrogen 2.542 N/A ASN 612.A N GLY 608.A O no hydrogen 2.802 N/A PHE 613.A N PRO 609.A O no hydrogen 3.295 N/A PHE 613.A N SER 610.A O no hydrogen 3.310 N/A ALA 614.A N GLN 611.A O no hydrogen 3.241 N/A PHE 617.A N PHE 613.A O no hydrogen 2.738 N/A GLU 618.A N ALA 614.A O no hydrogen 3.059 N/A LEU 619.A N PRO 615.A O no hydrogen 3.118 N/A LEU 619.A N GLU 616.A O no hydrogen 3.003 N/A LEU 620.A N GLU 616.A O no hydrogen 3.087 N/A ALA 621.A N PHE 617.A O no hydrogen 2.939 N/A ARG 622.A N GLU 618.A O no hydrogen 3.062 N/A ARG 622.A NH1 PRO 576.A O no hydrogen 2.941 N/A MET 623.A N LEU 619.A O no hydrogen 2.854 N/A ILE 624.A N LEU 620.A O no hydrogen 3.107 N/A LYS 625.A N ARG 622.A O no hydrogen 3.416 N/A LYS 627.A N ILE 624.A O no hydrogen 2.935 N/A VAL 628.A N ILE 624.A O no hydrogen 3.186 N/A ARG 629.A N HIS 597.A O no hydrogen 3.070 N/A GLY 631.A N VAL 599.A O no hydrogen 2.826 N/A LYS 632.A N ILE 580.A O no hydrogen 3.079 N/A VAL 633.A N ASP 601.A O no hydrogen 2.879 N/A CYS 635.A N TYR 603.A O no hydrogen 2.809 N/A CYS 635.A SG VAL 633.A O no hydrogen 4.005 N/A ALA 637.A N ASP 634.A OD1 no hydrogen 3.030 N/A TYR 638.A N ASP 634.A O no hydrogen 2.913 N/A CYS 642.A N TYR 638.A O no hydrogen 3.286 N/A CYS 642.A SG TYR 638.A O no hydrogen 3.706 N/A GLN 643.A N PRO 639.A O no hydrogen 2.849 N/A LYS 644.A N GLN 640.A O no hydrogen 3.160 N/A LYS 644.A NZ GLN 640.A O no hydrogen 3.080 N/A ALA 645.A N THR 641.A O no hydrogen 3.178 N/A GLY 646.A N GLN 643.A O no hydrogen 2.784 N/A ILE 647.A N CYS 642.A O no hydrogen 3.020 N/A SER 652.A N PHE 602.A O no hydrogen 2.918 N/A SER 652.A OG ALA 649.A O no hydrogen 2.793 N/A LYS 654.A N VAL 600.A O no hydrogen 2.867 N/A LYS 654.A NZ ALA 645.A O no hydrogen 2.976 N/A LEU 655.A N GLU 668.A O no hydrogen 2.643 N/A TYR 656.A N TRP 598.A O no hydrogen 2.695 N/A GLN 657.A N TRP 666.A O no hydrogen 2.972 N/A GLN 657.A NE2 LYS 685.A O no hydrogen 3.051 N/A GLU 659.A N SER 664.A O no hydrogen 2.918 N/A LYS 662.A N GLU 659.A O no hydrogen 3.129 N/A LYS 663.A N ARG 660.A O no hydrogen 3.388 N/A SER 664.A N GLU 659.A O no hydrogen 3.444 N/A SER 664.A OG LYS 662.A O no hydrogen 3.387 N/A TRP 666.A N GLN 657.A O no hydrogen 2.812 N/A TRP 666.A NE1 GLU 659.A OE1 no hydrogen 2.704 N/A GLU 668.A N LEU 655.A O no hydrogen 2.853 N/A ILE 670.A N VAL 653.A O no hydrogen 2.926 N/A ARG 673.A NH1 ILE 670.A O no hydrogen 2.933 N/A ARG 673.A NH1 SER 672.A O no hydrogen 2.896 N/A ARG 673.A NH2 PRO 651.A O no hydrogen 2.961 N/A ASP 674.A N SER 672.A OG no hydrogen 3.206 N/A ALA 675.A N GLU 616.A OE2 no hydrogen 2.789 N/A THR 677.A OG1 ASP 674.A OD2 no hydrogen 3.093 N/A ILE 678.A N ASP 674.A O no hydrogen 2.963 N/A ALA 679.A N ALA 675.A O no hydrogen 2.875 N/A ALA 680.A N LYS 676.A O no hydrogen 3.159 N/A LEU 681.A N THR 677.A O no hydrogen 2.970 N/A ILE 682.A N ILE 678.A O no hydrogen 2.808 N/A TYR 683.A N ALA 679.A O no hydrogen 2.853 N/A GLY 684.A N ALA 680.A O no hydrogen 2.778 N/A LYS 685.A N LEU 681.A O no hydrogen 3.269 N/A LYS 685.A N ILE 682.A O no hydrogen 3.043 N/A LYS 685.A NZ GLU 668.A OE1 no hydrogen 3.486 N/A LYS 685.A NZ GLU 668.A OE2 no hydrogen 2.735 N/A LEU 686.A N ILE 682.A O no hydrogen 3.050 N/A LEU 686.A N TYR 683.A O no hydrogen 3.036 N/A THR 688.A N LYS 685.A O no hydrogen 3.418 N/A THR 688.A OG1 LYS 685.A O no hydrogen 3.337 N/A