Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6mur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N ILE 2.A O no hydrogen 2.989 N/A THR 6.A OG1 ILE 2.A O no hydrogen 2.706 N/A LEU 8.A N GLU 4.A O no hydrogen 2.752 N/A GLY 9.A N LEU 5.A O no hydrogen 3.064 N/A GLY 9.A N THR 6.A O no hydrogen 3.201 N/A GLY 10.A N THR 6.A O no hydrogen 3.283 N/A LEU 12.A N GLY 9.A O no hydrogen 3.007 N/A ILE 15.A N LEU 12.A O no hydrogen 3.098 N/A VAL 19.A N GLY 16.A O no hydrogen 2.900 N/A GLN 20.A N GLY 16.A O no hydrogen 3.104 N/A GLN 20.A N LYS 17.A O no hydrogen 2.777 N/A ARG 21.A N LYS 17.A O no hydrogen 3.029 N/A ARG 21.A NH1 SER 181.A O no hydrogen 3.489 N/A ARG 21.A NH2 SER 181.A O no hydrogen 3.339 N/A GLY 23.A N VAL 19.A O no hydrogen 3.255 N/A LEU 24.A N VAL 19.A O no hydrogen 3.478 N/A SER 30.A OG HIS 59.A O no hydrogen 3.562 N/A THR 31.A N ASP 28.A O no hydrogen 2.791 N/A THR 31.A OG1 ASP 28.A OD2 no hydrogen 3.518 N/A GLN 32.A NE2 SER 26.A O no hydrogen 2.587 N/A GLY 33.A N HIS 29.A O no hydrogen 2.914 N/A ALA 34.A N SER 30.A O no hydrogen 3.350 N/A ARG 35.A N THR 31.A O no hydrogen 3.253 N/A PHE 36.A N GLN 32.A O no hydrogen 2.710 N/A LEU 37.A N GLY 33.A O no hydrogen 3.035 N/A ARG 38.A N ALA 34.A O no hydrogen 2.722 N/A ASP 39.A N ARG 35.A O no hydrogen 2.786 N/A LEU 40.A N PHE 36.A O no hydrogen 3.063 N/A ALA 41.A N ARG 38.A O no hydrogen 3.314 N/A GLU 50.A N ALA 47.A O no hydrogen 3.283 N/A LEU 52.A N GLU 48.A O no hydrogen 3.220 N/A SER 53.A N GLU 50.A O no hydrogen 3.354 N/A SER 53.A OG GLU 50.A O no hydrogen 2.554 N/A LEU 54.A N LEU 51.A O no hydrogen 3.417 N/A SER 56.A OG ILE 15.A O no hydrogen 2.930 N/A PHE 58.A N LEU 54.A O no hydrogen 3.182 N/A HIS 63.A NE2 ASP 28.A OD2 no hydrogen 2.409 N/A LYS 65.A N HIS 63.A O no hydrogen 2.878 N/A ILE 71.A N GLU 68.A O no hydrogen 3.211 N/A ARG 72.A N GLU 68.A O no hydrogen 3.400 N/A ILE 74.A N MET 70.A O no hydrogen 3.264 N/A LYS 75.A N ILE 71.A O no hydrogen 2.726 N/A PHE 82.A N PRO 79.A O no hydrogen 3.249 N/A LEU 84.A N PRO 79.A O no hydrogen 2.903 N/A THR 85.A OG1 ASP 88.A OD2 no hydrogen 3.082 N/A VAL 89.A N THR 85.A O no hydrogen 2.843 N/A ASN 91.A N ASP 88.A O no hydrogen 3.199 N/A TRP 94.A N ASN 91.A O no hydrogen 3.298 N/A ILE 95.A N ASN 91.A O no hydrogen 3.321 N/A VAL 96.A N ALA 92.A O no hydrogen 3.182 N/A GLU 98.A N TRP 94.A O no hydrogen 3.366 N/A ALA 99.A N ILE 95.A O no hydrogen 3.077 N/A ASP 100.A N TYR 97.A O no hydrogen 3.123 N/A ASN 101.A N TYR 97.A O no hydrogen 3.341 N/A LEU 102.A N GLU 98.A O no hydrogen 3.062 N/A GLU 106.A N SER 104.A OG no hydrogen 3.327 N/A TYR 114.A N ASN 188.A O no hydrogen 3.024 N/A SER 115.A N LYS 121.A O no hydrogen 2.898 N/A PHE 117.A N SER 115.A OG no hydrogen 3.357 N/A LYS 121.A N ASN 118.A O no hydrogen 3.119 N/A ALA 122.A N GLY 138.A O no hydrogen 3.177 N/A TYR 123.A N LEU 113.A O no hydrogen 2.827 N/A TRP 125.A NE1 TYR 176.A O no hydrogen 3.241 N/A LEU 128.A N LYS 175.A O no hydrogen 3.454 N/A GLY 138.A N ALA 122.A O no hydrogen 3.048 N/A VAL 140.A N ASP 139.A OD1 no hydrogen 2.669 N/A SER 142.A OG SER 110.A O no hydrogen 3.299 N/A ASP 147.A N ARG 144.A O no hydrogen 3.157 N/A VAL 152.A N TYR 148.A O no hydrogen 3.234 N/A LYS 153.A N ARG 149.A O no hydrogen 3.078 N/A ARG 154.A N GLU 150.A O no hydrogen 3.470 N/A LEU 155.A N LEU 151.A O no hydrogen 3.220 N/A TRP 156.A N VAL 152.A O no hydrogen 2.686 N/A GLU 157.A N LYS 153.A O no hydrogen 3.059 N/A GLU 158.A N ARG 154.A O no hydrogen 2.792 N/A LEU 159.A N LEU 155.A O no hydrogen 3.077 N/A SER 160.A OG TRP 156.A O no hydrogen 3.376 N/A LYS 161.A NZ GLU 157.A OE2 no hydrogen 3.261 N/A ARG 165.A NH2 SER 473.A O no hydrogen 3.424 N/A LEU 169.A N ARG 165.A O no hydrogen 3.260 N/A LEU 173.A N LEU 169.A O no hydrogen 3.098 N/A GLU 174.A N LEU 170.A O no hydrogen 3.002 N/A LYS 175.A NZ ASN 466.A OD1 no hydrogen 2.385 N/A LEU 177.A N LEU 173.A O no hydrogen 3.087 N/A THR 178.A OG1 GLU 174.A O no hydrogen 2.258 N/A SER 181.A OG ARG 111.A O no hydrogen 2.821 N/A SER 182.A N ILE 190.A O no hydrogen 3.465 N/A SER 182.A OG ILE 190.A O no hydrogen 3.273 N/A THR 184.A OG1 PRO 107.A O no hydrogen 2.686 N/A ASN 188.A ND2 SER 182.A OG no hydrogen 3.090 N/A ILE 190.A N ASN 188.A OD1 no hydrogen 3.200 N/A SER 191.A OG THR 178.A O no hydrogen 2.502 N/A LEU 192.A N VAL 180.A O no hydrogen 2.850 N/A TYR 193.A N LEU 177.A O no hydrogen 2.972 N/A HIS 195.A N SER 191.A O no hydrogen 3.035 N/A MET 196.A N LEU 192.A O no hydrogen 3.143 N/A ARG 197.A N TYR 193.A O no hydrogen 2.742 N/A MET 198.A N ASP 194.A O no hydrogen 3.176 N/A THR 199.A N HIS 195.A O no hydrogen 3.022 N/A THR 199.A OG1 HIS 195.A O no hydrogen 2.630 N/A SER 200.A N MET 196.A O no hydrogen 3.061 N/A SER 200.A OG ALA 7.A O no hydrogen 2.698 N/A ALA 203.A N THR 199.A O no hydrogen 3.022 N/A LEU 204.A N SER 200.A O no hydrogen 3.275 N/A ALA 205.A N ALA 201.A O no hydrogen 3.213 N/A MET 206.A N ILE 202.A O no hydrogen 3.122 N/A LEU 207.A N ALA 203.A O no hydrogen 3.363 N/A ARG 208.A N LEU 204.A O no hydrogen 3.182 N/A ARG 208.A NE LEU 275.A O no hydrogen 3.454 N/A ALA 209.A N ALA 205.A O no hydrogen 3.240 N/A GLY 210.A N MET 206.A O no hydrogen 3.268 N/A GLY 210.A N LEU 207.A O no hydrogen 3.334 N/A CYS 211.A SG MET 206.A O no hydrogen 3.285 N/A THR 212.A N ASP 215.A OD2 no hydrogen 2.870 N/A ALA 213.A N THR 212.A OG1 no hydrogen 2.623 N/A ASP 215.A N THR 212.A O no hydrogen 3.200 N/A ARG 217.A N ALA 213.A O no hydrogen 3.332 N/A ARG 217.A NH1 ARG 217.A O no hydrogen 3.360 N/A SER 218.A N GLU 214.A O no hydrogen 3.199 N/A SER 218.A OG GLU 214.A O no hydrogen 2.959 N/A SER 218.A OG ASP 215.A O no hydrogen 3.303 N/A GLY 219.A N VAL 216.A O no hydrogen 3.360 N/A ARG 220.A N ASP 215.A O no hydrogen 3.041 N/A ARG 220.A NE ARG 220.A O no hydrogen 3.124 N/A ARG 220.A NE GLU 224.A OE1 no hydrogen 3.000 N/A ARG 220.A NH1 LYS 223.A O no hydrogen 3.402 N/A ARG 226.A NH2 GLU 224.A OE1 no hydrogen 3.180 N/A PHE 227.A N VAL 332.A O no hydrogen 3.094 N/A LEU 229.A N GLU 330.A O no hydrogen 2.957 N/A ILE 230.A N ILE 292.A O no hydrogen 2.871 N/A GLU 231.A N GLU 328.A O no hydrogen 3.152 N/A GLY 232.A N PHE 290.A O no hydrogen 3.144 N/A ASP 233.A N ALA 326.A O no hydrogen 3.074 N/A PHE 234.A N GLY 288.A O no hydrogen 2.920 N/A SER 235.A N TYR 324.A O no hydrogen 2.587 N/A PHE 240.A N ILE 237.A O no hydrogen 2.839 N/A ILE 241.A N ILE 237.A O no hydrogen 3.094 N/A ARG 243.A NE ARG 243.A O no hydrogen 3.177 N/A VAL 244.A N TYR 242.A O no hydrogen 2.810 N/A SER 245.A N VAL 385.A O no hydrogen 2.872 N/A SER 245.A OG PRO 384.A O no hydrogen 2.744 N/A SER 245.A OG VAL 385.A O no hydrogen 3.358 N/A LYS 247.A N SER 245.A O no hydrogen 2.724 N/A LEU 250.A N GLY 248.A O no hydrogen 2.663 N/A LYS 251.A N THR 249.A O no hydrogen 2.767 N/A LYS 251.A NZ VAL 493.A O no hydrogen 3.044 N/A ARG 254.A NH2 ASP 483.A O no hydrogen 2.697 N/A ALA 255.A N TYR 252.A O no hydrogen 3.063 N/A ARG 256.A N TYR 252.A O no hydrogen 2.830 N/A SER 257.A N LEU 253.A O no hydrogen 3.199 N/A SER 257.A OG LEU 253.A O no hydrogen 3.431 N/A SER 257.A OG VAL 577.A O no hydrogen 3.156 N/A TYR 259.A N ALA 255.A O no hydrogen 3.269 N/A TYR 259.A OH GLU 439.A O no hydrogen 3.102 N/A LEU 260.A N ARG 256.A O no hydrogen 3.065 N/A GLU 261.A N SER 257.A O no hydrogen 3.419 N/A ILE 263.A N TYR 259.A O no hydrogen 3.360 N/A GLY 264.A N LEU 260.A O no hydrogen 3.188 N/A TRP 265.A N GLU 261.A O no hydrogen 3.165 N/A ASP 266.A N LEU 262.A O no hydrogen 3.048 N/A VAL 267.A N ILE 263.A O no hydrogen 3.372 N/A VAL 268.A N GLY 264.A O no hydrogen 3.284 N/A LEU 269.A N TRP 265.A O no hydrogen 3.172 N/A ILE 271.A N VAL 267.A O no hydrogen 3.246 N/A LEU 272.A N VAL 268.A O no hydrogen 3.168 N/A SER 273.A N LEU 269.A O no hydrogen 3.066 N/A SER 273.A OG LEU 269.A O no hydrogen 2.949 N/A SER 273.A OG GLU 270.A O no hydrogen 3.445 N/A ARG 274.A NH1 GLU 270.A OE2 no hydrogen 2.414 N/A ARG 274.A NH2 GLU 303.A OE2 no hydrogen 3.416 N/A LEU 275.A N ILE 271.A O no hydrogen 3.211 N/A LEU 277.A N LEU 272.A O no hydrogen 2.823 N/A THR 278.A N ASN 281.A OD1 no hydrogen 3.277 N/A ALA 280.A N THR 278.A OG1 no hydrogen 3.366 N/A ASN 281.A N THR 278.A O no hydrogen 3.384 N/A ASN 281.A ND2 ALA 201.A O no hydrogen 3.000 N/A ASN 281.A ND2 ILE 293.A O no hydrogen 3.010 N/A VAL 282.A N ARG 279.A O no hydrogen 3.318 N/A VAL 283.A N MET 291.A O no hydrogen 2.634 N/A ALA 286.A N HIS 289.A O no hydrogen 3.084 N/A HIS 289.A NE2 GLU 231.A OE2 no hydrogen 2.610 N/A PHE 290.A N GLY 232.A O no hydrogen 3.107 N/A MET 291.A N PHE 284.A O no hydrogen 3.170 N/A ILE 292.A N ILE 230.A O no hydrogen 3.002 N/A ILE 293.A N ASN 281.A O no hydrogen 3.101 N/A ALA 294.A N LEU 228.A O no hydrogen 3.157 N/A GLN 295.A N GLN 295.A OE1 no hydrogen 2.669 N/A GLN 295.A NE2 LEU 275.A O no hydrogen 3.515 N/A ASN 296.A N ARG 226.A O no hydrogen 2.849 N/A ASN 296.A ND2 LYS 225.A O no hydrogen 3.222 N/A ALA 300.A N THR 297.A O no hydrogen 3.136 N/A VAL 301.A N THR 297.A O no hydrogen 3.185 N/A LYS 302.A N PRO 298.A O no hydrogen 3.480 N/A LEU 304.A N ALA 300.A O no hydrogen 2.589 N/A GLU 305.A N VAL 301.A O no hydrogen 3.270 N/A GLU 306.A N LYS 302.A O no hydrogen 3.416 N/A ILE 307.A N LEU 304.A O no hydrogen 3.166 N/A ARG 308.A N LEU 304.A O no hydrogen 3.142 N/A ARG 308.A NH1 ILE 327.A O no hydrogen 2.891 N/A ALA 309.A N GLU 305.A O no hydrogen 3.036 N/A LYS 310.A N GLU 306.A O no hydrogen 3.184 N/A ALA 311.A N ILE 307.A O no hydrogen 2.969 N/A VAL 312.A N ARG 308.A O no hydrogen 3.128 N/A GLU 313.A N ALA 309.A O no hydrogen 3.461 N/A TRP 314.A N LYS 310.A O no hydrogen 3.032 N/A LEU 315.A N ALA 311.A O no hydrogen 3.001 N/A TYR 316.A N VAL 312.A O no hydrogen 2.952 N/A ARG 317.A N GLU 313.A O no hydrogen 3.358 N/A GLU 318.A N TRP 314.A O no hydrogen 3.251 N/A PHE 319.A N LEU 315.A O no hydrogen 3.333 N/A SER 321.A OG GLU 320.A O no hydrogen 2.660 N/A ASP 322.A N PHE 319.A O no hydrogen 3.504 N/A TYR 324.A N SER 235.A O no hydrogen 2.950 N/A TYR 324.A OH GLU 367.A OE2 no hydrogen 2.372 N/A ALA 326.A N ASP 233.A O no hydrogen 3.079 N/A GLU 328.A N GLU 231.A O no hydrogen 3.062 N/A GLU 330.A N LEU 229.A O no hydrogen 3.205 N/A VAL 332.A N PHE 227.A O no hydrogen 3.147 N/A PHE 337.A N GLY 334.A O no hydrogen 3.300 N/A ARG 339.A NE ASP 527.A OD2 no hydrogen 2.989 N/A ARG 339.A NH1 ASP 527.A OD2 no hydrogen 3.317 N/A ALA 347.A N ASN 344.A OD1 no hydrogen 3.489 N/A GLU 348.A N LEU 345.A O no hydrogen 3.046 N/A ALA 349.A N LEU 345.A O no hydrogen 2.892 N/A ARG 350.A N PHE 346.A O no hydrogen 3.109 N/A ARG 352.A N GLU 348.A O no hydrogen 2.823 N/A ARG 352.A NH2 GLU 336.A OE2 no hydrogen 3.454 N/A LYS 354.A N ARG 350.A O no hydrogen 2.885 N/A LYS 356.A N ARG 352.A O no hydrogen 3.405 N/A LYS 356.A NZ TRP 329.A O no hydrogen 2.676 N/A LYS 356.A NZ GLU 330.A OE1 no hydrogen 3.554 N/A LEU 357.A N LEU 353.A O no hydrogen 3.141 N/A THR 358.A N LYS 354.A O no hydrogen 3.208 N/A THR 358.A OG1 LYS 354.A O no hydrogen 2.983 N/A VAL 359.A N HIS 355.A O no hydrogen 3.110 N/A ARG 360.A N LEU 357.A O no hydrogen 3.273 N/A LYS 361.A N LEU 357.A O no hydrogen 3.057 N/A LYS 361.A NZ ASP 233.A OD2 no hydrogen 2.387 N/A LYS 363.A N ARG 360.A O no hydrogen 3.132 N/A ARG 364.A NH1 SER 235.A OG no hydrogen 2.987 N/A ARG 364.A NH2 SER 235.A O no hydrogen 3.146 N/A ALA 381.A N LEU 390.A O no hydrogen 2.240 N/A CYS 383.A N ARG 388.A O no hydrogen 2.683 N/A LEU 390.A N ALA 381.A O no hydrogen 2.142 N/A LYS 394.A N PRO 391.A O no hydrogen 3.004 N/A SER 398.A N THR 404.A O no hydrogen 3.246 N/A SER 398.A OG ASP 401.A O no hydrogen 2.506 N/A SER 398.A OG THR 404.A OG1 no hydrogen 2.528 N/A THR 404.A N ASP 401.A O no hydrogen 3.013 N/A THR 404.A OG1 SER 398.A OG no hydrogen 2.528 N/A THR 404.A OG1 ASP 401.A O no hydrogen 2.504 N/A CYS 410.A N CYS 407.A O no hydrogen 3.196 N/A CYS 410.A SG TYR 252.A OH no hydrogen 2.665 N/A ASN 411.A ND2 GLU 396.A O no hydrogen 3.250 N/A ASN 411.A ND2 GLU 396.A OE1 no hydrogen 3.352 N/A ARG 412.A N PRO 408.A O no hydrogen 3.405 N/A ARG 412.A NH1 LEU 437.A O no hydrogen 2.396 N/A LEU 413.A N CYS 410.A O no hydrogen 3.268 N/A VAL 414.A N CYS 410.A O no hydrogen 3.009 N/A SER 415.A N ASN 411.A O no hydrogen 3.239 N/A SER 415.A OG ASN 411.A O no hydrogen 3.011 N/A SER 415.A OG ARG 412.A O no hydrogen 3.183 N/A GLY 417.A N LEU 413.A O no hydrogen 2.920 N/A ASN 419.A N LEU 416.A O no hydrogen 3.194 N/A LEU 424.A N TYR 448.A O no hydrogen 3.078 N/A PHE 426.A N LEU 460.A O no hydrogen 2.876 N/A GLY 427.A N VAL 446.A O no hydrogen 2.724 N/A ARG 428.A N GLN 458.A O no hydrogen 2.766 N/A ARG 428.A NH1 ASP 266.A O no hydrogen 3.112 N/A THR 429.A N GLY 444.A O no hydrogen 3.214 N/A THR 429.A OG1 ASP 433.A OD2 no hydrogen 2.982 N/A ALA 430.A N THR 429.A OG1 no hydrogen 2.721 N/A GLY 440.A N SER 443.A O no hydrogen 2.564 N/A PHE 442.A N ASP 266.A OD2 no hydrogen 3.235 N/A SER 443.A OG THR 429.A O no hydrogen 2.261 N/A SER 443.A OG GLY 444.A O no hydrogen 3.041 N/A PHE 445.A N VAL 438.A O no hydrogen 2.904 N/A VAL 446.A N GLY 427.A O no hydrogen 2.960 N/A TYR 448.A N GLY 425.A O no hydrogen 3.152 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 2.829 N/A GLN 458.A NE2 GLN 475.A OE1 no hydrogen 3.462 N/A ILE 459.A N GLN 475.A O no hydrogen 2.913 N/A VAL 461.A N VAL 477.A O no hydrogen 3.050 N/A LYS 462.A NZ ASP 483.A OD2 no hydrogen 2.560 N/A ASN 463.A N TYR 479.A O no hydrogen 2.843 N/A ASN 463.A ND2 VAL 481.A O no hydrogen 2.925 N/A GLY 468.A N ASN 466.A O no hydrogen 3.065 N/A GLU 472.A N GLU 472.A OE1 no hydrogen 2.676 N/A GLN 475.A N GLU 457.A O no hydrogen 2.713 N/A PHE 476.A N ASP 167.A OD2 no hydrogen 3.078 N/A VAL 477.A N ILE 459.A O no hydrogen 3.195 N/A TYR 479.A N VAL 461.A O no hydrogen 2.971 N/A VAL 481.A N ASN 463.A OD1 no hydrogen 2.998 N/A TYR 484.A OH PRO 572.A O no hydrogen 2.858 N/A LYS 487.A NZ GLU 571.A OE2 no hydrogen 3.367 N/A GLY 492.A N ASP 488.A OD1 no hydrogen 2.790 N/A ALA 494.A N LYS 486.A O no hydrogen 3.062 N/A LEU 499.A N THR 495.A O no hydrogen 3.092 N/A SER 500.A OG ARG 508.A O no hydrogen 3.320 N/A SER 500.A OG GLU 623.A OE2 no hydrogen 2.973 N/A MET 501.A N GLU 498.A O no hydrogen 3.356 N/A SER 503.A OG SER 500.A O no hydrogen 3.277 N/A SER 503.A OG THR 506.A O no hydrogen 3.241 N/A THR 506.A N MET 767.A O no hydrogen 3.207 N/A LEU 509.A N PHE 621.A O no hydrogen 2.810 N/A GLY 510.A N GLY 588.A O no hydrogen 3.348 N/A VAL 511.A N GLY 619.A O no hydrogen 3.147 N/A MET 512.A N ILE 586.A O no hydrogen 2.843 N/A LYS 513.A N GLY 617.A O no hydrogen 3.311 N/A LYS 513.A NZ ASP 583.A OD1 no hydrogen 3.560 N/A GLY 514.A N PHE 584.A O no hydrogen 2.867 N/A PHE 522.A N LEU 519.A O no hydrogen 3.006 N/A PHE 523.A N LEU 519.A O no hydrogen 3.171 N/A SER 524.A N GLY 520.A O no hydrogen 3.193 N/A SER 524.A OG GLY 520.A O no hydrogen 2.791 N/A SER 525.A N PHE 522.A O no hydrogen 3.129 N/A SER 525.A OG GLU 521.A O no hydrogen 3.105 N/A SER 530.A OG ALA 103.A O no hydrogen 3.088 N/A LYS 531.A N SER 528.A O no hydrogen 3.027 N/A LYS 531.A N SER 528.A OG no hydrogen 3.386 N/A LYS 531.A NZ ASP 527.A OD1 no hydrogen 2.924 N/A LEU 532.A N SER 528.A O no hydrogen 3.014 N/A ALA 533.A N PRO 529.A O no hydrogen 3.101 N/A THR 534.A OG1 ASP 194.A OD2 no hydrogen 2.851 N/A THR 534.A OG1 SER 530.A O no hydrogen 3.031 N/A ALA 535.A N LYS 531.A O no hydrogen 3.252 N/A SER 536.A N LEU 532.A O no hydrogen 3.035 N/A SER 536.A OG LEU 532.A O no hydrogen 2.852 N/A ARG 537.A N THR 534.A O no hydrogen 3.237 N/A ARG 537.A NE ASP 194.A OD1 no hydrogen 2.604 N/A ARG 537.A NE ASP 194.A OD2 no hydrogen 3.156 N/A ARG 537.A NH1 TYR 541.A OH no hydrogen 3.244 N/A ARG 537.A NH2 ASP 194.A OD2 no hydrogen 2.697 N/A PHE 538.A N THR 534.A O no hydrogen 3.126 N/A MET 539.A N ALA 535.A O no hydrogen 3.408 N/A TYR 541.A N ARG 537.A O no hydrogen 2.818 N/A LYS 544.A NZ ASP 540.A OD1 no hydrogen 2.803 N/A LYS 544.A NZ GLY 580.A O no hydrogen 3.506 N/A GLY 545.A N TYR 541.A O no hydrogen 3.054 N/A TYR 546.A N TYR 541.A O no hydrogen 3.122 N/A GLU 552.A N GLY 548.A O no hydrogen 3.065 N/A GLY 553.A N ILE 550.A O no hydrogen 3.243 N/A ILE 558.A N PHE 555.A O no hydrogen 3.225 N/A ILE 559.A N PHE 555.A O no hydrogen 3.004 N/A GLY 560.A N GLY 556.A O no hydrogen 3.196 N/A ARG 566.A NE ASP 567.A O no hydrogen 3.080 N/A ASP 573.A N GLN 592.A OE1 no hydrogen 3.334 N/A VAL 575.A N VAL 587.A O no hydrogen 2.776 N/A VAL 576.A N TYR 484.A O no hydrogen 3.112 N/A TYR 578.A N PHE 585.A O no hydrogen 3.177 N/A GLY 580.A N ASP 583.A O no hydrogen 2.701 N/A PHE 584.A N GLY 514.A O no hydrogen 2.881 N/A PHE 585.A N TYR 578.A O no hydrogen 2.873 N/A ILE 586.A N MET 512.A O no hydrogen 2.876 N/A VAL 587.A N VAL 575.A O no hydrogen 3.164 N/A GLY 588.A N GLY 510.A O no hydrogen 3.076 N/A ALA 589.A N ASP 573.A O no hydrogen 3.130 N/A TRP 590.A NE1 THR 506.A O no hydrogen 2.631 N/A GLN 592.A N ALA 589.A O no hydrogen 2.876 N/A ILE 593.A N ALA 589.A O no hydrogen 2.739 N/A LEU 596.A N GLN 592.A O no hydrogen 3.059 N/A ALA 597.A N ILE 593.A O no hydrogen 3.409 N/A PHE 598.A N GLU 595.A O no hydrogen 3.184 N/A ARG 599.A N GLU 595.A O no hydrogen 3.136 N/A ARG 599.A N LEU 596.A O no hydrogen 2.918 N/A ARG 599.A NH2 GLU 595.A OE2 no hydrogen 2.380 N/A VAL 600.A N LEU 596.A O no hydrogen 2.600 N/A ARG 601.A N ALA 597.A O no hydrogen 3.370 N/A ARG 601.A NH2 ASN 669.A OD1 no hydrogen 3.439 N/A ARG 602.A N PHE 598.A O no hydrogen 3.307 N/A ARG 602.A NH2 GLU 672.A OE2 no hydrogen 2.357 N/A PHE 604.A N VAL 600.A O no hydrogen 2.958 N/A ASN 605.A N ARG 601.A O no hydrogen 2.914 N/A ALA 606.A N ARG 602.A O no hydrogen 3.261 N/A ALA 606.A N ALA 603.A O no hydrogen 3.206 N/A TYR 607.A N ALA 603.A O no hydrogen 2.726 N/A TYR 607.A OH PHE 538.A O no hydrogen 2.738 N/A THR 608.A N PHE 604.A O no hydrogen 3.413 N/A THR 608.A OG1 PHE 604.A O no hydrogen 3.019 N/A THR 608.A OG1 ASN 605.A O no hydrogen 3.468 N/A GLY 610.A N THR 608.A OG1 no hydrogen 3.306 N/A THR 613.A OG1 ASP 517.A OD2 no hydrogen 3.358 N/A THR 613.A OG1 ARG 646.A O no hydrogen 2.632 N/A SER 615.A OG ASP 517.A OD2 no hydrogen 2.317 N/A SER 615.A OG LEU 614.A O no hydrogen 2.738 N/A GLY 617.A N LYS 513.A O no hydrogen 3.201 N/A GLY 619.A N VAL 511.A O no hydrogen 3.048 N/A PHE 621.A N LEU 509.A O no hydrogen 2.929 N/A GLU 623.A N ASP 622.A OD1 no hydrogen 2.659 N/A THR 625.A OG1 ASP 622.A O no hydrogen 3.035 N/A ARG 629.A N PRO 626.A O no hydrogen 2.932 N/A MET 630.A N PRO 626.A O no hydrogen 3.227 N/A ALA 631.A N ILE 627.A O no hydrogen 3.003 N/A ASP 632.A N TYR 628.A O no hydrogen 3.343 N/A VAL 633.A N ARG 629.A O no hydrogen 3.099 N/A SER 635.A N ALA 631.A O no hydrogen 2.832 N/A SER 635.A OG ALA 631.A O no hydrogen 2.749 N/A GLU 636.A N VAL 633.A O no hydrogen 2.967 N/A ARG 637.A N VAL 633.A O no hydrogen 2.859 N/A ARG 637.A NH1 LEU 618.A O no hydrogen 2.905 N/A LEU 638.A N VAL 634.A O no hydrogen 2.757 N/A ASP 639.A N SER 635.A O no hydrogen 3.222 N/A THR 640.A N GLU 636.A O no hydrogen 2.896 N/A THR 640.A OG1 GLU 636.A O no hydrogen 2.656 N/A LYS 642.A N ASP 639.A O no hydrogen 3.287 N/A LYS 642.A NZ ASP 515.A OD1 no hydrogen 2.682 N/A LYS 642.A NZ ASP 515.A OD2 no hydrogen 3.221 N/A ASP 643.A N ASP 639.A O no hydrogen 3.178 N/A ARG 648.A NH1 SER 665.A O no hydrogen 3.115 N/A VAL 649.A N TYR 666.A O no hydrogen 2.601 N/A PHE 650.A N VAL 616.A O no hydrogen 2.774 N/A SER 655.A OG GLU 708.A OE2 no hydrogen 3.091 N/A ARG 656.A NH2 ARG 656.A O no hydrogen 3.411 N/A LYS 661.A N ASP 659.A OD1 no hydrogen 3.449 N/A SER 665.A OG GLU 644.A OE1 no hydrogen 2.292 N/A TYR 666.A N VAL 649.A O no hydrogen 2.797 N/A TYR 666.A OH TRP 757.A O no hydrogen 2.836 N/A TYR 671.A N GLU 667.A O no hydrogen 3.090 N/A TYR 671.A OH GLY 760.A O no hydrogen 2.269 N/A GLU 672.A N TRP 668.A O no hydrogen 3.107 N/A GLU 673.A N ASN 669.A O no hydrogen 3.213 N/A GLU 673.A N HIS 670.A O no hydrogen 3.273 N/A LEU 674.A N HIS 670.A O no hydrogen 2.851 N/A TRP 675.A N TYR 671.A O no hydrogen 2.951 N/A ARG 676.A NH2 GLU 672.A OE2 no hydrogen 3.432 N/A THR 677.A OG1 GLU 673.A O no hydrogen 3.500 N/A THR 677.A OG1 LEU 674.A O no hydrogen 3.211 N/A TYR 678.A N LEU 674.A O no hydrogen 3.239 N/A TYR 678.A OH GLU 738.A OE2 no hydrogen 2.747 N/A ALA 679.A N TRP 675.A O no hydrogen 3.239 N/A ARG 681.A NE THR 677.A O no hydrogen 2.877 N/A ILE 682.A N ALA 679.A O no hydrogen 3.346 N/A TYR 683.A N ALA 679.A O no hydrogen 2.915 N/A TYR 683.A OH LEU 565.A O no hydrogen 2.538 N/A ALA 684.A N ARG 688.A O no hydrogen 3.232 N/A ASN 686.A N LEU 565.A O no hydrogen 3.265 N/A ASN 686.A ND2 ASP 567.A OD1 no hydrogen 2.898 N/A GLY 687.A N TYR 683.A OH no hydrogen 3.126 N/A LYS 690.A NZ PRO 680.A O no hydrogen 3.124 N/A SER 695.A OG SER 695.A O no hydrogen 2.572 N/A LYS 696.A NZ LYS 692.A O no hydrogen 2.852 N/A LEU 699.A N LYS 696.A O no hydrogen 3.246 N/A LEU 700.A N LYS 697.A O no hydrogen 2.689 N/A TRP 701.A N LYS 697.A O no hydrogen 2.857 N/A LEU 703.A N LEU 699.A O no hydrogen 2.965 N/A LEU 704.A N LEU 700.A O no hydrogen 3.186 N/A GLU 705.A N TRP 701.A O no hydrogen 3.207 N/A ILE 706.A N LYS 702.A O no hydrogen 2.887 N/A ARG 707.A N LEU 703.A O no hydrogen 3.137 N/A ARG 707.A NH1 SER 655.A O no hydrogen 2.683 N/A ARG 707.A NH2 SER 655.A O no hydrogen 2.957 N/A ARG 707.A NH2 TYR 756.A O no hydrogen 3.402 N/A GLU 708.A N LEU 704.A O no hydrogen 2.920 N/A GLU 708.A N GLU 705.A O no hydrogen 3.147 N/A LEU 709.A N ILE 706.A O no hydrogen 3.140 N/A VAL 711.A N ARG 707.A O no hydrogen 3.276 N/A ARG 712.A N GLU 708.A O no hydrogen 2.990 N/A ASP 713.A N LEU 709.A O no hydrogen 3.393 N/A ASN 715.A N ASP 713.A OD1 no hydrogen 3.346 N/A ASP 716.A N ASP 713.A O no hydrogen 3.330 N/A ARG 718.A N ASP 716.A OD1 no hydrogen 3.255 N/A ALA 720.A N VAL 717.A O no hydrogen 3.077 N/A THR 723.A N TRP 719.A O no hydrogen 3.336 N/A THR 723.A OG1 TRP 719.A O no hydrogen 2.732 N/A TYR 725.A N TYR 721.A O no hydrogen 2.724 N/A LEU 726.A N LEU 722.A O no hydrogen 3.023 N/A LEU 727.A N THR 723.A O no hydrogen 2.904 N/A GLY 728.A N TYR 725.A O no hydrogen 3.028 N/A ARG 729.A N TYR 725.A O no hydrogen 2.933 N/A HIS 730.A ND1 LEU 726.A O no hydrogen 2.948 N/A GLY 731.A N GLY 728.A O no hydrogen 2.893 N/A ASP 743.A N GLN 753.A OE1 no hydrogen 3.139 N/A LYS 745.A N ASP 743.A OD1 no hydrogen 3.117 N/A VAL 747.A N ASP 743.A O no hydrogen 3.450 N/A GLU 748.A N THR 744.A O no hydrogen 2.812 N/A ARG 749.A N LYS 745.A O no hydrogen 2.636 N/A LYS 750.A NZ VAL 747.A O no hydrogen 3.275 N/A GLU 751.A N ALA 746.A O no hydrogen 2.932 N/A GLN 753.A N TYR 710.A OH no hydrogen 3.308 N/A GLN 753.A NE2 ASP 743.A O no hydrogen 3.245 N/A TYR 756.A N GLN 753.A O no hydrogen 3.029 N/A TYR 756.A OH LYS 663.A O no hydrogen 3.323 N/A GLY 760.A N TYR 666.A OH no hydrogen 2.959 N/A VAL 761.A N VAL 758.A O no hydrogen 3.322 N/A LEU 762.A N VAL 758.A O no hydrogen 3.071 N/A LYS 763.A N ASP 759.A O no hydrogen 3.107 N/A LYS 763.A NZ GLY 653.A O no hydrogen 3.130 N/A LYS 763.A NZ ASP 759.A OD2 no hydrogen 3.311 N/A LEU 766.A N LEU 762.A O no hydrogen 2.815 N/A MET 767.A N LYS 763.A O no hydrogen 3.225 N/A ALA 768.A N ILE 764.A O no hydrogen 2.884 N/A VAL 769.A N VAL 765.A O no hydrogen 2.972 N/A