Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7m3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE PRO 3.A O no hydrogen 3.165 N/A ARG 6.A NH1 GLN 8.A OE1 no hydrogen 2.844 N/A ARG 6.A NH2 TYR 1.A O no hydrogen 2.863 N/A ARG 6.A NH2 PRO 3.A O no hydrogen 2.738 N/A ALA 7.A N ILE 78.A O no hydrogen 3.001 N/A GLN 8.A N HIS 320.A O no hydrogen 3.021 N/A LYS 9.A N TYR 76.A O no hydrogen 2.950 N/A ASP 12.A N THR 73.A O no hydrogen 2.828 N/A ILE 13.A N THR 73.A O no hydrogen 3.390 N/A LEU 15.A N GLY 75.A O no hydrogen 3.105 N/A GLY 17.A N ARG 77.A O no hydrogen 3.318 N/A LEU 18.A N VAL 118.A O no hydrogen 3.396 N/A PHE 19.A N PHE 79.A O no hydrogen 3.367 N/A ILE 21.A N PHE 19.A O no hydrogen 3.190 N/A ILE 21.A N ASP 80.A OD1 no hydrogen 3.076 N/A HIS 22.A ND1 ASP 80.A OD2 no hydrogen 3.053 N/A HIS 22.A NE2 GLU 326.A OE2 no hydrogen 3.271 N/A PHE 23.A N ARG 43.A O no hydrogen 2.870 N/A ALA 26.A N GLU 40.A O no hydrogen 3.011 N/A LEU 32.A N GLN 30.A O no hydrogen 2.668 N/A ILE 42.A N GLY 24.A O no hydrogen 3.193 N/A ARG 43.A NH1 GLU 253.A OE1 no hydrogen 3.061 N/A ASN 45.A N ILE 21.A O no hydrogen 2.864 N/A ASN 45.A ND2 PRO 20.A O no hydrogen 3.226 N/A PHE 49.A N ASN 45.A O no hydrogen 3.360 N/A ARG 50.A N PHE 46.A O no hydrogen 2.995 N/A ARG 50.A NH1 TYR 356.A O no hydrogen 3.461 N/A TRP 51.A N ARG 47.A O no hydrogen 2.945 N/A LEU 52.A N GLY 48.A O no hydrogen 2.944 N/A GLN 53.A N PHE 49.A O no hydrogen 2.954 N/A GLN 53.A NE2 TYR 356.A OH no hydrogen 3.427 N/A ALA 54.A N ARG 50.A O no hydrogen 3.045 N/A PHE 57.A N GLN 53.A O no hydrogen 2.988 N/A ALA 58.A N ALA 54.A O no hydrogen 2.979 N/A ILE 59.A N MET 55.A O no hydrogen 3.018 N/A GLU 60.A N ILE 56.A O no hydrogen 2.946 N/A GLU 61.A N PHE 57.A O no hydrogen 2.941 N/A ILE 62.A N ALA 58.A O no hydrogen 2.993 N/A ASN 63.A N ILE 59.A O no hydrogen 2.970 N/A ASN 63.A ND2 LEU 74.A O no hydrogen 3.402 N/A SER 64.A N GLU 60.A O no hydrogen 2.961 N/A SER 64.A OG GLU 60.A O no hydrogen 3.505 N/A SER 65.A N ILE 62.A O no hydrogen 3.143 N/A LEU 69.A N GLN 380.A OE1 no hydrogen 2.930 N/A THR 73.A N ASP 12.A OD2 no hydrogen 3.306 N/A LEU 74.A N ASN 63.A OD1 no hydrogen 3.360 N/A GLY 75.A N ILE 13.A O no hydrogen 2.758 N/A TYR 76.A N LYS 9.A O no hydrogen 2.912 N/A ARG 77.A N LEU 15.A O no hydrogen 3.331 N/A ILE 78.A N ALA 7.A O no hydrogen 2.882 N/A PHE 79.A N GLY 17.A O no hydrogen 3.108 N/A THR 81.A N PHE 19.A O no hydrogen 3.105 N/A CYS 82.A N ASP 80.A OD1 no hydrogen 2.999 N/A CYS 82.A SG ASP 80.A OD1 no hydrogen 3.725 N/A CYS 82.A SG ASP 80.A OD2 no hydrogen 3.550 N/A ASN 83.A N THR 81.A OG1 no hydrogen 3.370 N/A ASN 83.A ND2 PHE 23.A O no hydrogen 3.560 N/A THR 84.A N THR 81.A O no hydrogen 3.176 N/A THR 84.A OG1 THR 81.A O no hydrogen 3.251 N/A LYS 87.A NZ VAL 39.A O no hydrogen 2.956 N/A LEU 89.A N VAL 85.A O no hydrogen 2.922 N/A GLU 90.A N SER 86.A O no hydrogen 2.956 N/A ALA 91.A N LYS 87.A O no hydrogen 3.025 N/A THR 92.A N ALA 88.A O no hydrogen 2.883 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.555 N/A LEU 93.A N LEU 89.A O no hydrogen 2.971 N/A SER 94.A N ALA 91.A O no hydrogen 2.980 N/A SER 94.A OG GLU 90.A O no hydrogen 3.543 N/A PHE 95.A N ALA 91.A O no hydrogen 3.067 N/A VAL 96.A N THR 92.A O no hydrogen 3.270 N/A GLN 98.A NE2 GLN 98.A O no hydrogen 2.814 N/A LYS 100.A N VAL 96.A O no hydrogen 3.074 N/A SER 103.A N LYS 100.A O no hydrogen 3.011 N/A LEU 104.A N LYS 100.A O no hydrogen 3.056 N/A ILE 115.A N ILE 14.A O no hydrogen 3.014 N/A VAL 117.A N PRO 139.A O no hydrogen 3.208 N/A VAL 118.A N GLY 16.A O no hydrogen 2.651 N/A GLY 119.A N VAL 141.A O no hydrogen 2.480 N/A THR 121.A OG1 TYR 143.A OH no hydrogen 3.203 N/A SER 126.A N GLY 122.A O no hydrogen 2.900 N/A SER 126.A OG GLY 122.A O no hydrogen 2.969 N/A SER 126.A OG SER 145.A OG no hydrogen 2.491 N/A THR 127.A N SER 123.A O no hydrogen 2.935 N/A THR 127.A OG1 SER 123.A O no hydrogen 2.718 N/A VAL 129.A N VAL 125.A O no hydrogen 3.017 N/A ALA 130.A N SER 126.A O no hydrogen 2.892 N/A ASN 131.A N THR 127.A O no hydrogen 3.000 N/A LEU 133.A N VAL 129.A O no hydrogen 2.944 N/A GLY 134.A N ALA 130.A O no hydrogen 2.936 N/A PHE 136.A N LEU 133.A O no hydrogen 3.396 N/A ILE 138.A N LEU 133.A O no hydrogen 3.270 N/A GLN 140.A N SER 158.A O no hydrogen 2.995 N/A VAL 141.A N VAL 117.A O no hydrogen 3.053 N/A SER 142.A N LEU 160.A O no hydrogen 2.914 N/A SER 142.A OG ALA 120.A O no hydrogen 2.964 N/A TYR 143.A OH LEU 18.A O no hydrogen 2.696 N/A TYR 143.A OH THR 121.A OG1 no hydrogen 3.203 N/A ALA 144.A N SER 142.A OG no hydrogen 3.344 N/A SER 145.A N SER 142.A OG no hydrogen 3.148 N/A SER 145.A OG ALA 120.A O no hydrogen 3.488 N/A SER 145.A OG THR 121.A O no hydrogen 2.918 N/A SER 145.A OG GLY 122.A O no hydrogen 3.293 N/A SER 145.A OG SER 126.A OG no hydrogen 2.491 N/A SER 146.A OG ASP 166.A OD1 no hydrogen 3.419 N/A SER 146.A OG ASP 166.A OD2 no hydrogen 2.594 N/A SER 147.A OG ASP 193.A O no hydrogen 2.854 N/A LEU 149.A N SER 147.A OG no hydrogen 3.396 N/A LEU 150.A N SER 147.A O no hydrogen 3.404 N/A SER 151.A N ARG 148.A O no hydrogen 2.964 N/A SER 151.A OG ASP 432.A OD2 no hydrogen 3.188 N/A LYS 153.A NZ PHE 156.A O no hydrogen 3.522 N/A LYS 153.A NZ CYS 430.A O no hydrogen 3.397 N/A ASN 154.A ND2 ASN 152.A OD1 no hydrogen 3.155 N/A PHE 156.A N ASN 152.A O no hydrogen 3.106 N/A SER 158.A OG ILE 138.A O no hydrogen 2.911 N/A LEU 160.A N GLN 140.A O no hydrogen 2.914 N/A ARG 161.A N GLY 431.A O no hydrogen 3.239 N/A ARG 161.A NE ASP 432.A OD1 no hydrogen 3.431 N/A ARG 161.A NH1 SER 145.A O no hydrogen 3.192 N/A ARG 161.A NH1 SER 147.A O no hydrogen 2.878 N/A ARG 161.A NH2 SER 147.A O no hydrogen 2.973 N/A THR 162.A N SER 142.A O no hydrogen 2.971 N/A THR 162.A OG1 THR 162.A O no hydrogen 2.583 N/A ALA 170.A N ASP 166.A O no hydrogen 3.315 N/A THR 171.A N GLU 167.A O no hydrogen 3.009 N/A THR 171.A OG1 GLU 167.A O no hydrogen 2.805 N/A ALA 172.A N HIS 168.A O no hydrogen 2.872 N/A MET 173.A N GLN 169.A O no hydrogen 3.002 N/A ASP 175.A N THR 171.A O no hydrogen 3.025 N/A ILE 176.A N ALA 172.A O no hydrogen 2.936 N/A ILE 177.A N MET 173.A O no hydrogen 2.966 N/A GLU 178.A N ALA 174.A O no hydrogen 2.949 N/A TYR 179.A N ASP 175.A O no hydrogen 2.966 N/A TYR 179.A N ILE 176.A O no hydrogen 3.107 N/A PHE 180.A N ILE 176.A O no hydrogen 3.408 N/A TRP 182.A NE1 PRO 486.A O no hydrogen 3.289 N/A ASN 183.A N ASN 489.A OD1 no hydrogen 3.068 N/A TRP 184.A NE1 THR 239.A OG1 no hydrogen 3.206 N/A VAL 185.A N CYS 212.A O no hydrogen 3.327 N/A GLY 186.A N VAL 242.A O no hydrogen 2.906 N/A THR 187.A N PHE 215.A O no hydrogen 3.154 N/A THR 187.A OG1 PHE 215.A O no hydrogen 3.485 N/A THR 187.A OG1 SER 216.A OG no hydrogen 3.029 N/A ILE 188.A N VAL 244.A O no hydrogen 2.890 N/A ALA 189.A N GLU 217.A O no hydrogen 3.277 N/A ALA 190.A N PHE 246.A O no hydrogen 2.903 N/A ASP 191.A N ILE 219.A O no hydrogen 3.101 N/A TYR 194.A OH SER 272.A OG no hydrogen 3.034 N/A ARG 196.A N ASP 192.A O no hydrogen 3.402 N/A ARG 196.A NH1 ASP 191.A OD1 no hydrogen 2.530 N/A ILE 199.A N GLY 195.A O no hydrogen 2.974 N/A GLU 200.A N ARG 196.A O no hydrogen 3.001 N/A LYS 201.A N PRO 197.A O no hydrogen 2.983 N/A LYS 201.A NZ GLU 205.A OE2 no hydrogen 3.420 N/A PHE 202.A N GLY 198.A O no hydrogen 3.010 N/A ARG 203.A N ILE 199.A O no hydrogen 2.951 N/A ARG 203.A NE GLU 200.A OE1 no hydrogen 3.145 N/A ARG 203.A NH1 GLU 207.A OE1 no hydrogen 3.222 N/A ARG 203.A NH2 GLU 200.A OE1 no hydrogen 3.393 N/A ARG 203.A NH2 GLU 200.A OE2 no hydrogen 2.424 N/A GLU 204.A N GLU 200.A O no hydrogen 3.063 N/A GLU 205.A N LYS 201.A O no hydrogen 3.037 N/A ALA 206.A N PHE 202.A O no hydrogen 2.839 N/A GLU 207.A N ARG 203.A O no hydrogen 2.957 N/A GLU 208.A N GLU 204.A O no hydrogen 3.070 N/A ARG 209.A N ALA 206.A O no hydrogen 3.213 N/A ARG 209.A NH1 GLU 205.A O no hydrogen 3.162 N/A ARG 209.A NH1 GLU 205.A OE1 no hydrogen 2.729 N/A ILE 211.A N ALA 206.A O no hydrogen 3.141 N/A CYS 212.A N ASN 183.A O no hydrogen 3.126 N/A ASP 214.A N VAL 185.A O no hydrogen 2.896 N/A SER 216.A OG THR 187.A OG1 no hydrogen 3.029 N/A SER 216.A OG PHE 215.A O no hydrogen 2.848 N/A GLU 217.A N THR 187.A O no hydrogen 3.248 N/A ILE 219.A N ALA 189.A O no hydrogen 3.252 N/A TYR 222.A N SER 220.A OG no hydrogen 3.243 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 3.349 N/A GLN 229.A N GLU 225.A O no hydrogen 2.971 N/A HIS 230.A N GLU 226.A O no hydrogen 2.937 N/A VAL 231.A N GLU 227.A O no hydrogen 2.992 N/A VAL 232.A N ILE 228.A O no hydrogen 2.933 N/A GLU 233.A N GLN 229.A O no hydrogen 2.941 N/A VAL 234.A N HIS 230.A O no hydrogen 2.958 N/A ILE 235.A N VAL 231.A O no hydrogen 2.913 N/A GLN 236.A N VAL 232.A O no hydrogen 2.983 N/A SER 238.A N ILE 235.A O no hydrogen 3.463 N/A SER 238.A OG ASP 214.A OD2 no hydrogen 2.321 N/A LYS 241.A NZ PHE 487.A O no hydrogen 2.664 N/A ILE 243.A N ILE 268.A O no hydrogen 2.920 N/A VAL 244.A N GLY 186.A O no hydrogen 2.888 N/A VAL 245.A N LEU 270.A O no hydrogen 2.984 N/A PHE 246.A N ILE 188.A O no hydrogen 2.952 N/A SER 247.A OG SER 248.A O no hydrogen 2.788 N/A LEU 252.A N GLY 249.A O no hydrogen 3.203 N/A GLU 253.A N GLY 249.A O no hydrogen 3.006 N/A ILE 256.A N LEU 252.A O no hydrogen 3.092 N/A LYS 257.A N GLU 253.A O no hydrogen 2.986 N/A GLU 258.A N PRO 254.A O no hydrogen 3.027 N/A ILE 259.A N LEU 255.A O no hydrogen 2.958 N/A VAL 260.A N ILE 256.A O no hydrogen 2.870 N/A ARG 261.A N LYS 257.A O no hydrogen 3.010 N/A ARG 261.A NH1 GLU 258.A OE2 no hydrogen 2.762 N/A ARG 262.A N ILE 259.A O no hydrogen 3.349 N/A ARG 262.A NE GLU 258.A OE2 no hydrogen 3.151 N/A ARG 262.A NH2 GLU 258.A OE2 no hydrogen 3.466 N/A ILE 268.A N LYS 241.A O no hydrogen 2.636 N/A TRP 269.A NE1 VAL 289.A O no hydrogen 3.102 N/A LEU 270.A N ILE 243.A O no hydrogen 2.875 N/A ALA 271.A N ILE 294.A O no hydrogen 2.995 N/A SER 272.A N VAL 245.A O no hydrogen 3.329 N/A SER 272.A OG TYR 194.A OH no hydrogen 3.034 N/A SER 272.A OG VAL 245.A O no hydrogen 3.297 N/A GLU 273.A N GLN 169.A OE1 no hydrogen 3.020 N/A TRP 275.A NE1 VAL 245.A O no hydrogen 3.204 N/A SER 278.A N TRP 275.A O no hydrogen 3.522 N/A LEU 280.A N SER 278.A OG no hydrogen 3.182 N/A ALA 282.A N SER 278.A O no hydrogen 3.055 N/A MET 283.A N ILE 281.A O no hydrogen 2.913 N/A TYR 286.A N MET 283.A O no hydrogen 3.270 N/A VAL 289.A N TYR 286.A O no hydrogen 2.908 N/A VAL 290.A N TYR 286.A O no hydrogen 2.941 N/A GLY 291.A N PHE 287.A O no hydrogen 3.098 N/A THR 293.A OG1 VAL 290.A O no hydrogen 2.427 N/A ILE 294.A N TRP 269.A O no hydrogen 3.284 N/A GLY 295.A N ILE 440.A O no hydrogen 2.938 N/A ALA 297.A N SER 438.A O no hydrogen 2.878 N/A GLY 301.A N LEU 362.A O no hydrogen 3.070 N/A PHE 306.A N ILE 303.A O no hydrogen 3.259 N/A GLU 308.A N GLU 308.A OE1 no hydrogen 2.546 N/A LEU 310.A N PHE 306.A O no hydrogen 2.923 N/A LYS 311.A N ARG 307.A O no hydrogen 2.980 N/A LYS 312.A N PHE 309.A O no hydrogen 3.229 N/A SER 318.A N HIS 314.A O no hydrogen 3.176 N/A GLY 322.A N ARG 6.A O no hydrogen 3.044 N/A PHE 323.A N ASN 321.A OD1 no hydrogen 3.347 N/A PHE 327.A N PHE 323.A O no hydrogen 3.415 N/A TRP 328.A N ALA 324.A O no hydrogen 2.960 N/A TRP 328.A NE1 GLU 347.A OE1 no hydrogen 3.023 N/A GLU 329.A N LYS 325.A O no hydrogen 2.999 N/A GLU 330.A N GLU 326.A O no hydrogen 2.863 N/A THR 331.A N PHE 327.A O no hydrogen 2.974 N/A THR 331.A OG1 PHE 327.A O no hydrogen 2.442 N/A PHE 332.A N TRP 328.A O no hydrogen 3.374 N/A ASN 333.A N GLU 329.A O no hydrogen 3.068 N/A HIS 335.A N PRO 341.A O no hydrogen 2.866 N/A CYS 343.A N HIS 335.A O no hydrogen 2.964 N/A THR 344.A N GLU 347.A OE2 no hydrogen 3.395 N/A THR 344.A OG1 ASP 346.A OD2 no hydrogen 2.851 N/A SER 351.A N ASN 348.A O no hydrogen 3.324 N/A SER 351.A OG ASN 348.A O no hydrogen 3.096 N/A TYR 356.A OH LEU 310.A O no hydrogen 3.021 N/A ARG 363.A NH1 LEU 298.A O no hydrogen 2.414 N/A TYR 366.A OH ASN 420.A OD1 no hydrogen 2.622 N/A ASN 367.A ND2 TYR 143.A O no hydrogen 3.251 N/A VAL 368.A N ILE 364.A O no hydrogen 3.015 N/A TYR 369.A N SER 365.A O no hydrogen 3.009 N/A TYR 369.A OH GLU 61.A OE1 no hydrogen 2.830 N/A LEU 370.A N TYR 366.A O no hydrogen 2.943 N/A ALA 371.A N ASN 367.A O no hydrogen 2.927 N/A VAL 372.A N VAL 368.A O no hydrogen 3.071 N/A TYR 373.A N TYR 369.A O no hydrogen 3.051 N/A TYR 373.A OH GLU 61.A OE1 no hydrogen 3.232 N/A SER 374.A N LEU 370.A O no hydrogen 2.930 N/A SER 374.A OG LEU 370.A O no hydrogen 2.650 N/A ALA 376.A N VAL 372.A O no hydrogen 3.069 N/A HIS 377.A N TYR 373.A O no hydrogen 2.938 N/A HIS 377.A ND1 TYR 373.A O no hydrogen 2.988 N/A ALA 378.A N SER 374.A O no hydrogen 3.009 N/A LEU 379.A N ILE 375.A O no hydrogen 3.042 N/A GLN 380.A N ALA 376.A O no hydrogen 2.928 N/A GLN 380.A NE2 ALA 67.A O no hydrogen 3.685 N/A ASP 381.A N HIS 377.A O no hydrogen 2.938 N/A ILE 382.A N ALA 378.A O no hydrogen 3.022 N/A TYR 383.A N LEU 379.A O no hydrogen 2.980 N/A THR 384.A N GLN 380.A O no hydrogen 2.944 N/A THR 384.A OG1 GLN 380.A O no hydrogen 2.917 N/A CYS 385.A SG LEU 386.A O no hydrogen 3.903 N/A GLY 388.A N GLY 395.A O no hydrogen 3.092 N/A ARG 389.A N LEU 386.A O no hydrogen 2.943 N/A GLY 390.A N GLY 395.A O no hydrogen 3.173 N/A PHE 392.A N SER 396.A O no hydrogen 3.389 N/A CYS 397.A SG LEU 386.A O no hydrogen 3.250 N/A LYS 401.A N ASP 399.A OD1 no hydrogen 3.253 N/A GLU 404.A N GLN 407.A OE1 no hydrogen 3.274 N/A TRP 406.A NE1 GLU 404.A OE1 no hydrogen 2.414 N/A GLN 407.A N GLU 404.A O no hydrogen 3.262 N/A VAL 408.A N GLU 404.A O no hydrogen 3.449 N/A LEU 409.A N ALA 405.A O no hydrogen 3.018 N/A LYS 410.A N TRP 406.A O no hydrogen 2.953 N/A LYS 410.A NZ HIS 414.A NE2 no hydrogen 3.474 N/A HIS 411.A N GLN 407.A O no hydrogen 3.067 N/A LEU 412.A N VAL 408.A O no hydrogen 2.882 N/A ARG 413.A N LEU 409.A O no hydrogen 3.023 N/A ARG 413.A NH2 LYS 157.A O no hydrogen 3.305 N/A PHE 417.A N VAL 425.A O no hydrogen 3.035 N/A THR 418.A OG1 GLU 423.A O no hydrogen 3.339 N/A ASN 419.A N GLU 423.A O no hydrogen 2.908 N/A ASN 420.A ND2 GLN 302.A O no hydrogen 2.984 N/A MET 421.A N ASN 419.A OD1 no hydrogen 3.174 N/A GLY 422.A N ASN 419.A O no hydrogen 3.374 N/A GLU 423.A N ASN 419.A OD1 no hydrogen 2.976 N/A GLN 424.A NE2 ASN 416.A OD1 no hydrogen 2.751 N/A VAL 425.A N PHE 417.A O no hydrogen 2.811 N/A THR 426.A OG1 LEU 415.A O no hydrogen 2.617 N/A ASP 428.A N ASP 432.A O no hydrogen 3.272 N/A GLY 431.A N ASP 428.A O no hydrogen 3.136 N/A ASP 432.A N ASP 428.A OD1 no hydrogen 2.673 N/A TYR 437.A N TYR 459.A O no hydrogen 2.981 N/A SER 438.A N ALA 297.A O no hydrogen 2.882 N/A SER 438.A OG GLU 455.A OE2 no hydrogen 3.226 N/A ILE 439.A N GLY 457.A O no hydrogen 2.911 N/A ILE 440.A N GLY 295.A O no hydrogen 2.934 N/A ASN 441.A N LYS 454.A O no hydrogen 2.795 N/A ASN 441.A ND2 LEU 477.A O no hydrogen 3.511 N/A TRP 442.A N THR 293.A O no hydrogen 2.963 N/A TRP 442.A NE1 ALA 276.A O no hydrogen 3.233 N/A HIS 443.A N VAL 452.A O no hydrogen 2.898 N/A SER 445.A N SER 450.A O no hydrogen 2.872 N/A GLU 447.A N SER 445.A OG no hydrogen 3.403 N/A GLY 449.A N SER 445.A O no hydrogen 3.074 N/A VAL 452.A N HIS 443.A O no hydrogen 3.197 N/A LYS 454.A N ASN 441.A O no hydrogen 2.872 N/A VAL 456.A N ILE 439.A O no hydrogen 2.710 N/A GLY 457.A N ILE 439.A O no hydrogen 3.032 N/A TYR 458.A N PHE 470.A O no hydrogen 2.944 N/A TYR 459.A N TYR 437.A O no hydrogen 2.882 N/A TYR 459.A OH ASP 175.A OD2 no hydrogen 3.259 N/A ASN 460.A N ARG 468.A O no hydrogen 2.778 N/A VAL 461.A N ASN 436.A OD1 no hydrogen 3.320 N/A TYR 462.A N ASN 460.A OD1 no hydrogen 3.110 N/A GLU 467.A N LYS 464.A O no hydrogen 3.220 N/A ARG 468.A NE ALA 463.A O no hydrogen 3.109 N/A PHE 470.A N TYR 458.A O no hydrogen 2.978 N/A ASN 472.A N VAL 456.A O no hydrogen 2.984 N/A TRP 478.A N SER 482.A O no hydrogen 2.950 N/A SER 488.A OG TRP 184.A O no hydrogen 2.802 N/A SER 491.A OG CYS 509.A O no hydrogen 3.538 N/A CYS 494.A SG ARG 499.A O no hydrogen 3.944 N/A CYS 494.A SG GLU 512.A O no hydrogen 3.626 N/A THR 498.A OG1 LEU 495.A O no hydrogen 3.161 N/A ARG 499.A N VAL 514.A O no hydrogen 2.836 N/A ARG 499.A NH2 LYS 500.A O no hydrogen 2.636 N/A GLY 501.A N GLU 512.A O no hydrogen 2.861 N/A CYS 509.A SG ASN 183.A O no hydrogen 3.800 N/A CYS 510.A N PRO 507.A O no hydrogen 3.247 N/A PHE 511.A N SER 491.A OG no hydrogen 3.420 N/A GLU 512.A N GLY 501.A O no hydrogen 2.930 N/A VAL 514.A N ARG 499.A O no hydrogen 2.911 N/A CYS 516.A N GLY 497.A O no hydrogen 3.144 N/A CYS 516.A SG TYR 521.A O no hydrogen 3.665 N/A GLU 520.A N PRO 517.A O no hydrogen 3.404 N/A TYR 521.A N ASN 531.A O no hydrogen 3.210 N/A SER 522.A N HIS 543.A O no hydrogen 3.285 N/A SER 522.A OG ALA 496.A O no hydrogen 2.262 N/A SER 522.A OG THR 498.A O no hydrogen 3.261 N/A SER 528.A OG ALA 527.A O no hydrogen 2.532 N/A ASN 531.A N TYR 521.A O no hydrogen 3.184 N/A ASP 536.A N ASP 535.A OD2 no hydrogen 2.752 N/A TRP 538.A N ILE 547.A O no hydrogen 2.874 N/A SER 539.A OG ASN 540.A O no hydrogen 3.359 N/A ASN 540.A N SER 545.A O no hydrogen 3.264 N/A SER 545.A OG CYS 546.A O no hydrogen 3.505 N/A ILE 547.A N TRP 538.A O no hydrogen 2.777 N/A LYS 549.A N ASP 536.A O no hydrogen 3.233 N/A GLU 552.A N ILE 692.A O no hydrogen 2.880 N/A SER 555.A N GLU 558.A OE1 no hydrogen 3.195 N/A THR 557.A N SER 555.A OG no hydrogen 3.163 N/A ILE 562.A N GLU 558.A O no hydrogen 3.113 N/A ALA 563.A N PRO 559.A O no hydrogen 2.945 N/A LEU 564.A N PHE 560.A O no hydrogen 3.001 N/A THR 565.A N GLY 561.A O no hydrogen 2.908 N/A THR 565.A OG1 GLY 561.A O no hydrogen 2.639 N/A LEU 566.A N ILE 562.A O no hydrogen 2.951 N/A PHE 567.A N ALA 563.A O no hydrogen 3.006 N/A ALA 568.A N LEU 564.A O no hydrogen 3.000 N/A VAL 569.A N THR 565.A O no hydrogen 2.903 N/A LEU 570.A N LEU 566.A O no hydrogen 2.921 N/A GLY 571.A N PHE 567.A O no hydrogen 2.950 N/A ILE 572.A N ALA 568.A O no hydrogen 3.023 N/A PHE 573.A N VAL 569.A O no hydrogen 2.911 N/A LEU 574.A N GLY 571.A O no hydrogen 3.257 N/A THR 575.A N GLY 571.A O no hydrogen 3.044 N/A ALA 576.A N ILE 572.A O no hydrogen 2.951 N/A VAL 578.A N LEU 574.A O no hydrogen 3.070 N/A LEU 579.A N THR 575.A O no hydrogen 2.942 N/A GLY 580.A N ALA 576.A O no hydrogen 2.920 N/A VAL 581.A N PHE 577.A O no hydrogen 3.040 N/A PHE 582.A N VAL 578.A O no hydrogen 2.950 N/A ILE 583.A N LEU 579.A O no hydrogen 2.934 N/A LYS 584.A N GLY 580.A O no hydrogen 3.060 N/A PHE 585.A N PHE 582.A O no hydrogen 3.313 N/A THR 588.A OG1 PHE 585.A O no hydrogen 2.840 N/A VAL 591.A N THR 588.A O no hydrogen 3.275 N/A THR 594.A OG1 THR 594.A O no hydrogen 2.650 N/A GLU 597.A N GLU 597.A OE1 no hydrogen 2.821 N/A LEU 598.A N ASN 595.A O no hydrogen 2.714 N/A LEU 601.A N GLU 597.A O no hydrogen 3.426 N/A LEU 602.A N LEU 598.A O no hydrogen 2.913 N/A LEU 603.A N SER 599.A O no hydrogen 2.936 N/A PHE 604.A N TYR 600.A O no hydrogen 2.942 N/A SER 605.A N LEU 601.A O no hydrogen 2.934 N/A LEU 606.A N LEU 602.A O no hydrogen 2.904 N/A LEU 607.A N LEU 603.A O no hydrogen 2.870 N/A CYS 608.A N PHE 604.A O no hydrogen 2.995 N/A CYS 608.A SG PHE 604.A O no hydrogen 3.591 N/A CYS 609.A N SER 605.A O no hydrogen 2.900 N/A PHE 610.A N LEU 606.A O no hydrogen 2.943 N/A SER 611.A N LEU 607.A O no hydrogen 2.915 N/A SER 612.A N CYS 608.A O no hydrogen 2.919 N/A SER 613.A N PHE 610.A O no hydrogen 3.223 N/A GLY 618.A N LEU 554.A O no hydrogen 2.931 N/A CYS 625.A N GLN 621.A O no hydrogen 3.251 N/A ARG 626.A N ASP 622.A O no hydrogen 3.405 N/A LEU 627.A N THR 624.A O no hydrogen 3.071 N/A GLN 629.A NE2 GLU 698.A OE2 no hydrogen 3.243 N/A GLY 633.A N GLN 629.A O no hydrogen 2.977 N/A ILE 634.A N PRO 630.A O no hydrogen 2.939 N/A SER 635.A N ALA 631.A O no hydrogen 3.012 N/A SER 635.A OG ALA 631.A O no hydrogen 2.882 N/A PHE 636.A N PHE 632.A O no hydrogen 2.901 N/A VAL 637.A N GLY 633.A O no hydrogen 2.969 N/A LEU 638.A N ILE 634.A O no hydrogen 3.037 N/A CYS 639.A N SER 635.A O no hydrogen 3.031 N/A CYS 639.A SG SER 605.A OG no hydrogen 2.774 N/A CYS 639.A SG SER 635.A O no hydrogen 3.251 N/A ILE 640.A N PHE 636.A O no hydrogen 2.926 N/A SER 641.A N VAL 637.A O no hydrogen 2.928 N/A CYS 642.A N LEU 638.A O no hydrogen 2.994 N/A CYS 642.A SG LEU 638.A O no hydrogen 3.354 N/A ILE 643.A N CYS 639.A O no hydrogen 2.968 N/A LEU 644.A N ILE 640.A O no hydrogen 2.870 N/A VAL 645.A N SER 641.A O no hydrogen 2.978 N/A LYS 646.A NZ ILE 643.A O no hydrogen 3.365 N/A ARG 649.A NE ASN 648.A O no hydrogen 2.489 N/A ARG 649.A NH2 ASN 648.A O no hydrogen 3.101 N/A LEU 658.A N GLN 655.A O no hydrogen 3.019 N/A PHE 660.A N PHE 656.A O no hydrogen 2.871 N/A LEU 661.A N LEU 657.A O no hydrogen 2.889 N/A CYS 662.A N LEU 658.A O no hydrogen 2.955 N/A CYS 662.A SG LEU 658.A O no hydrogen 3.311 N/A THR 663.A N PHE 660.A O no hydrogen 2.958 N/A THR 663.A OG1 VAL 659.A O no hydrogen 3.287 N/A THR 663.A OG1 PHE 660.A O no hydrogen 2.836 N/A PHE 664.A N PHE 660.A O no hydrogen 2.851 N/A MET 665.A N LEU 661.A O no hydrogen 2.966 N/A GLN 666.A N THR 663.A O no hydrogen 2.951 N/A GLN 666.A NE2 THR 711.A OG1 no hydrogen 2.989 N/A ILE 667.A N THR 663.A O no hydrogen 2.886 N/A VAL 668.A N PHE 664.A O no hydrogen 2.996 N/A CYS 670.A N GLN 666.A O no hydrogen 2.967 N/A CYS 670.A SG GLN 666.A O no hydrogen 3.575 N/A VAL 671.A N ILE 667.A O no hydrogen 2.918 N/A ILE 672.A N VAL 668.A O no hydrogen 2.958 N/A TRP 673.A N ILE 669.A O no hydrogen 2.920 N/A LEU 674.A N CYS 670.A O no hydrogen 2.937 N/A TYR 675.A N ILE 672.A O no hydrogen 2.944 N/A ALA 677.A N TRP 673.A O no hydrogen 3.380 N/A SER 680.A N HIS 697.A O no hydrogen 2.920 N/A SER 680.A OG ASP 622.A OD1 no hydrogen 3.336 N/A SER 680.A OG SER 681.A O no hydrogen 3.236 N/A SER 681.A OG PRO 620.A O no hydrogen 3.472 N/A TYR 682.A N THR 695.A O no hydrogen 2.885 N/A ASN 684.A N PHE 693.A O no hydrogen 2.897 N/A ILE 692.A N GLU 550.A O no hydrogen 2.933 N/A THR 695.A N TYR 682.A O no hydrogen 2.945 N/A CYS 696.A N THR 695.A OG1 no hydrogen 2.559 N/A HIS 697.A N SER 680.A O no hydrogen 2.906 N/A GLY 705.A N LEU 701.A O no hydrogen 2.866 N/A PHE 706.A N MET 702.A O no hydrogen 2.922 N/A LEU 707.A N ALA 703.A O no hydrogen 2.922 N/A ILE 708.A N LEU 704.A O no hydrogen 2.937 N/A GLY 709.A N GLY 705.A O no hydrogen 2.856 N/A TYR 710.A N PHE 706.A O no hydrogen 2.874 N/A TYR 710.A OH CYS 662.A O no hydrogen 3.106 N/A THR 711.A N LEU 707.A O no hydrogen 3.073 N/A THR 711.A OG1 LEU 707.A O no hydrogen 3.496 N/A CYS 712.A N ILE 708.A O no hydrogen 2.890 N/A CYS 712.A SG ILE 708.A O no hydrogen 3.523 N/A LEU 713.A N GLY 709.A O no hydrogen 2.854 N/A LEU 714.A N TYR 710.A O no hydrogen 2.994 N/A ALA 715.A N THR 711.A O no hydrogen 2.931 N/A ALA 716.A N CYS 712.A O no hydrogen 2.850 N/A ILE 717.A N LEU 713.A O no hydrogen 3.071 N/A PHE 719.A N ALA 715.A O no hydrogen 2.926 N/A PHE 720.A N ALA 716.A O no hydrogen 2.937 N/A PHE 721.A N ILE 717.A O no hydrogen 3.027 N/A ALA 722.A N CYS 718.A O no hydrogen 2.866 N/A ALA 722.A N PHE 719.A O no hydrogen 2.993 N/A PHE 723.A N PHE 719.A O no hydrogen 2.876 N/A LYS 724.A N PHE 720.A O no hydrogen 2.985 N/A SER 725.A N ALA 722.A O no hydrogen 2.998 N/A ARG 726.A N PHE 723.A O no hydrogen 2.981 N/A LEU 728.A N SER 725.A O no hydrogen 2.976 N/A GLU 734.A N GLU 730.A O no hydrogen 3.003 N/A ILE 738.A N GLU 734.A O no hydrogen 2.935 N/A THR 739.A N ALA 735.A O no hydrogen 2.944 N/A THR 739.A OG1 LYS 736.A O no hydrogen 2.245 N/A PHE 740.A N LYS 736.A O no hydrogen 2.942 N/A SER 741.A N PHE 737.A O no hydrogen 2.874 N/A MET 742.A N ILE 738.A O no hydrogen 2.938 N/A LEU 743.A N THR 739.A O no hydrogen 2.900 N/A ILE 744.A N PHE 740.A O no hydrogen 2.898 N/A PHE 745.A N SER 741.A O no hydrogen 2.961 N/A PHE 746.A N MET 742.A O no hydrogen 2.982 N/A ILE 747.A N LEU 743.A O no hydrogen 2.869 N/A VAL 748.A N ILE 744.A O no hydrogen 2.920 N/A TRP 749.A N PHE 745.A O no hydrogen 3.024 N/A ILE 750.A N ILE 747.A O no hydrogen 3.033 N/A SER 751.A N ILE 747.A O no hydrogen 2.892 N/A SER 751.A OG ILE 747.A O no hydrogen 3.082 N/A ILE 753.A N ILE 750.A O no hydrogen 2.940 N/A TYR 756.A N PHE 752.A O no hydrogen 3.191 N/A TYR 756.A OH GLU 768.A OE2 no hydrogen 3.371 N/A ALA 757.A N ILE 753.A O no hydrogen 3.135 N/A SER 758.A N ALA 755.A O no hydrogen 2.969 N/A THR 759.A N ALA 755.A O no hydrogen 3.189 N/A LYS 762.A N THR 759.A O no hydrogen 2.940 N/A PHE 763.A N THR 759.A O no hydrogen 3.093 N/A GLU 768.A N VAL 764.A O no hydrogen 3.009 N/A VAL 769.A N SER 765.A O no hydrogen 2.883 N/A ILE 770.A N ALA 766.A O no hydrogen 2.926 N/A ALA 771.A N VAL 767.A O no hydrogen 2.986 N/A ILE 772.A N GLU 768.A O no hydrogen 2.959 N/A LEU 773.A N VAL 769.A O no hydrogen 2.936 N/A ALA 774.A N ILE 770.A O no hydrogen 2.888 N/A ALA 774.A N ALA 771.A O no hydrogen 2.979 N/A ALA 775.A N ALA 771.A O no hydrogen 2.929 N/A SER 776.A N ILE 772.A O no hydrogen 2.955 N/A GLY 778.A N ALA 774.A O no hydrogen 2.947 N/A LEU 779.A N ALA 775.A O no hydrogen 2.973 N/A LEU 780.A N SER 776.A O no hydrogen 2.896 N/A ALA 781.A N PHE 777.A O no hydrogen 2.844 N/A CYS 782.A N GLY 778.A O no hydrogen 2.945 N/A ILE 783.A N LEU 779.A O no hydrogen 2.938 N/A ILE 783.A N LEU 780.A O no hydrogen 2.947 N/A PHE 784.A N LEU 780.A O no hydrogen 2.892 N/A LYS 787.A NZ GLU 734.A OE1 no hydrogen 2.849 N/A ILE 791.A N LYS 787.A O no hydrogen 2.895 N/A LEU 792.A N ILE 788.A O no hydrogen 2.942 N/A LEU 792.A N TYR 789.A O no hydrogen 2.990 N/A PHE 793.A N TYR 789.A O no hydrogen 2.587 N/A LYS 794.A N TYR 789.A O no hydrogen 3.386 N/A ARG 797.A NH2 SER 806.A OG no hydrogen 3.063 N/A ARG 797.A NH2 ALA 808.A O no hydrogen 3.310 N/A THR 799.A N ARG 797.A O no hydrogen 2.664 N/A THR 799.A OG1 ARG 797.A O no hydrogen 3.403 N/A VAL 803.A N ILE 800.A O no hydrogen 2.960 N/A CYS 805.A N GLU 801.A O no hydrogen 2.731 N/A CYS 805.A SG GLU 801.A O no hydrogen 3.499 N/A ALA 811.A N ALA 809.A O no hydrogen 2.595 N/A VAL 814.A N ALA 811.A O no hydrogen 3.295 N/A ALA 815.A N PHE 812.A O no hydrogen 3.090 N/A ALA 816.A N LYS 813.A O no hydrogen 2.751 N/A ARG 817.A N VAL 814.A O no hydrogen 2.778 N/A