Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s4d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N VAL 14.A O no hydrogen 3.149 N/A ASP 7.A N GLU 12.A O no hydrogen 2.836 N/A ALA 10.A N ASP 7.A O no hydrogen 2.982 N/A ARG 11.A N ASP 8.A O no hydrogen 2.424 N/A ARG 11.A NH1 THR 316.A OG1 no hydrogen 2.340 N/A GLU 12.A N ASP 7.A O no hydrogen 3.174 N/A TYR 13.A N HIS 99.A O no hydrogen 3.247 N/A VAL 14.A N HIS 5.A O no hydrogen 2.943 N/A ILE 15.A N ALA 97.A O no hydrogen 2.573 N/A THR 16.A N TYR 3.A O no hydrogen 2.599 N/A HIS 19.A N THR 17.A OG1 no hydrogen 2.813 N/A THR 20.A OG1 TYR 22.A O no hydrogen 2.517 N/A ASN 26.A N LEU 37.A O no hydrogen 3.033 N/A ASN 26.A ND2 GLY 100.A O no hydrogen 2.873 N/A ASN 26.A ND2 SER 104.A OG no hydrogen 3.366 N/A TYR 27.A OH ALA 353.A O no hydrogen 2.336 N/A LEU 28.A N SER 35.A O no hydrogen 2.812 N/A SER 35.A N LEU 28.A O no hydrogen 2.886 N/A SER 35.A OG TYR 44.A O no hydrogen 3.120 N/A SER 35.A OG SER 45.A OG no hydrogen 2.385 N/A SER 35.A OG GLU 128.A OE1 no hydrogen 3.149 N/A LEU 36.A N TYR 44.A O no hydrogen 2.830 N/A LEU 37.A N ASN 26.A O no hydrogen 3.101 N/A SER 38.A N GLY 42.A O no hydrogen 2.484 N/A HIS 39.A N TRP 24.A O no hydrogen 2.843 N/A HIS 39.A ND1 GLN 40.A OE1 no hydrogen 2.794 N/A ALA 41.A N SER 38.A O no hydrogen 2.592 N/A TYR 44.A N LEU 36.A O no hydrogen 3.073 N/A SER 45.A OG SER 35.A OG no hydrogen 2.385 N/A PHE 46.A N PHE 34.A O no hydrogen 3.135 N/A TYR 47.A N ARG 53.A O no hydrogen 3.228 N/A ARG 48.A N GLN 32.A O no hydrogen 2.501 N/A ARG 48.A NH2 LEU 408.A O no hydrogen 2.108 N/A ASP 49.A N TYR 47.A O no hydrogen 2.307 N/A LYS 51.A N ASP 49.A OD1 no hydrogen 2.423 N/A MET 52.A N ASP 49.A OD1 no hydrogen 3.120 N/A ARG 53.A N ASP 49.A O no hydrogen 3.308 N/A ARG 54.A N TRP 155.A O no hydrogen 2.965 N/A ARG 54.A NE ALA 50.A O no hydrogen 2.506 N/A ARG 54.A NH1 ALA 50.A O no hydrogen 3.153 N/A ARG 54.A NH1 THR 358.A O no hydrogen 3.301 N/A THR 56.A N SER 45.A O no hydrogen 3.298 N/A ARG 57.A N GLU 151.A O no hydrogen 2.633 N/A TYR 58.A OH ASP 66.A OD1 no hydrogen 2.393 N/A TYR 60.A OH SER 354.A O no hydrogen 2.886 N/A TYR 60.A OH GLU 357.A O no hydrogen 2.332 N/A ARG 70.A N ALA 41.A O no hydrogen 2.760 N/A ARG 70.A NH1 SER 35.A OG no hydrogen 2.912 N/A ARG 70.A NH1 TYR 44.A O no hydrogen 3.503 N/A ARG 70.A NH2 SER 35.A OG no hydrogen 2.603 N/A ARG 70.A NH2 SER 45.A OG no hydrogen 2.493 N/A TYR 73.A N PHE 147.A O no hydrogen 2.279 N/A TYR 73.A OH LEU 224.A O no hydrogen 2.578 N/A ASN 75.A N THR 145.A O no hydrogen 2.966 N/A ASP 76.A N ASP 79.A O no hydrogen 2.606 N/A ASP 79.A N ASP 76.A O no hydrogen 3.207 N/A TRP 81.A N VAL 74.A O no hydrogen 3.076 N/A THR 82.A OG1 LEU 72.A O no hydrogen 3.390 N/A TRP 85.A N THR 82.A O no hydrogen 2.668 N/A LYS 89.A N TRP 85.A O no hydrogen 2.396 N/A ASP 93.A N GLU 109.A O no hydrogen 2.449 N/A HIS 94.A N GLU 109.A O no hydrogen 3.287 N/A GLU 96.A N THR 107.A O no hydrogen 3.040 N/A ALA 97.A N ILE 15.A O no hydrogen 3.025 N/A ARG 98.A N THR 105.A O no hydrogen 3.031 N/A HIS 99.A N TYR 13.A O no hydrogen 2.598 N/A HIS 99.A ND1 SER 104.A OG no hydrogen 3.317 N/A GLY 102.A N TYR 341.A OH no hydrogen 3.173 N/A TYR 103.A OH GLU 12.A OE2 no hydrogen 2.183 N/A SER 104.A N PHE 119.A O no hydrogen 3.036 N/A SER 104.A OG HIS 99.A ND1 no hydrogen 3.317 N/A THR 105.A N ARG 98.A O no hydrogen 2.915 N/A ILE 106.A N THR 117.A O no hydrogen 3.142 N/A THR 107.A N GLU 96.A O no hydrogen 2.983 N/A GLY 108.A N VAL 115.A O no hydrogen 2.894 N/A GLU 109.A N HIS 94.A O no hydrogen 2.789 N/A ASN 111.A ND2 ASP 79.A OD2 no hydrogen 3.452 N/A VAL 113.A N ARG 110.A O no hydrogen 3.376 N/A ARG 114.A N THR 135.A O no hydrogen 2.765 N/A ARG 114.A NH1 HIS 94.A ND1 no hydrogen 2.590 N/A VAL 115.A N GLY 108.A O no hydrogen 3.124 N/A THR 117.A N ILE 106.A O no hydrogen 2.728 N/A LEU 118.A N LYS 131.A O no hydrogen 2.699 N/A PHE 119.A N SER 104.A O no hydrogen 2.751 N/A PHE 120.A N VAL 129.A O no hydrogen 2.835 N/A GLY 124.A N GLU 31.A OE1 no hydrogen 2.896 N/A GLU 125.A N PRO 122.A O no hydrogen 3.331 N/A VAL 129.A N PHE 120.A O no hydrogen 2.492 N/A LYS 131.A N LEU 118.A O no hydrogen 2.961 N/A VAL 132.A N LEU 263.A O no hydrogen 2.946 N/A THR 133.A N GLU 116.A O no hydrogen 2.770 N/A THR 135.A N ARG 114.A O no hydrogen 2.703 N/A THR 135.A OG1 THR 133.A O no hydrogen 2.647 N/A ASN 136.A N GLU 259.A O no hydrogen 3.063 N/A ASN 136.A ND2 SER 140.A O no hydrogen 3.671 N/A ASN 136.A ND2 LEU 255.A O no hydrogen 2.755 N/A SER 138.A N ASN 136.A OD1 no hydrogen 2.501 N/A SER 138.A OG ASN 136.A OD1 no hydrogen 2.936 N/A SER 138.A OG SER 140.A O no hydrogen 2.513 N/A LEU 144.A N VAL 253.A O no hydrogen 3.054 N/A THR 145.A N ASN 75.A O no hydrogen 3.272 N/A LEU 146.A N VAL 251.A O no hydrogen 2.287 N/A PHE 147.A N TYR 73.A O no hydrogen 2.411 N/A PHE 149.A N TYR 71.A O no hydrogen 2.691 N/A CYS 153.A N LEU 55.A O no hydrogen 2.793 N/A CYS 153.A SG ASP 160.A OD2 no hydrogen 3.016 N/A TRP 155.A N CYS 153.A O no hydrogen 2.159 N/A ALA 157.A N LYS 51.A O no hydrogen 2.996 N/A ASP 159.A N ASN 156.A OD1 no hydrogen 2.805 N/A ASP 160.A N ASN 156.A O no hydrogen 2.566 N/A GLN 161.A N ALA 157.A O no hydrogen 2.732 N/A ASN 163.A N ASP 159.A O no hydrogen 2.781 N/A TYR 164.A OH GLN 161.A O no hydrogen 2.461 N/A ASN 167.A ND2 ASN 163.A O no hydrogen 3.672 N/A LEU 168.A N TYR 164.A O no hydrogen 3.281 N/A SER 169.A N ARG 166.A O no hydrogen 3.439 N/A ILE 170.A N ASN 167.A O no hydrogen 3.459 N/A GLU 172.A N ILE 170.A O no hydrogen 2.831 N/A GLU 176.A N ALA 184.A O no hydrogen 3.225 N/A GLN 177.A NE2 ALA 207.A O no hydrogen 3.490 N/A GLN 177.A NE2 GLY 209.A O no hydrogen 2.890 N/A SER 179.A OG GLU 176.A O no hydrogen 2.940 N/A SER 183.A OG THR 205.A O no hydrogen 2.860 N/A ALA 184.A N GLU 176.A O no hydrogen 2.833 N/A ILE 185.A N PHE 201.A O no hydrogen 2.803 N/A TYR 186.A N GLU 174.A O no hydrogen 3.163 N/A ARG 188.A NH2 GLU 174.A OE2 no hydrogen 2.945 N/A THR 189.A OG1 HIS 187.A NE2 no hydrogen 2.234 N/A TYR 191.A N ARG 188.A O no hydrogen 2.848 N/A TYR 191.A OH LYS 277.A O no hydrogen 2.496 N/A ARG 192.A NE GLU 172.A OE2 no hydrogen 2.276 N/A ARG 194.A NH1 GLU 190.A OE1 no hydrogen 3.507 N/A TYR 198.A N VAL 270.A O no hydrogen 2.906 N/A TYR 198.A OH ASN 287.A O no hydrogen 3.282 N/A ALA 199.A N HIS 187.A O no hydrogen 3.225 N/A VAL 200.A N GLY 268.A O no hydrogen 2.772 N/A PHE 201.A N ILE 185.A O no hydrogen 2.964 N/A ALA 202.A N VAL 266.A O no hydrogen 3.103 N/A ASN 204.A ND2 ALA 299.A O no hydrogen 3.058 N/A ALA 207.A N SER 183.A OG no hydrogen 2.621 N/A GLU 208.A N SER 250.A O no hydrogen 2.634 N/A PHE 210.A N ASN 237.A OD1 no hydrogen 3.442 N/A THR 212.A N SER 238.A OG no hydrogen 2.686 N/A THR 212.A OG1 SER 238.A O no hydrogen 3.458 N/A ASP 213.A N SER 238.A OG no hydrogen 3.014 N/A ARG 214.A N TYR 244.A O no hydrogen 2.931 N/A ARG 214.A NH1 GLU 151.A OE2 no hydrogen 3.360 N/A ASP 215.A N ASP 213.A OD1 no hydrogen 3.249 N/A THR 216.A OG1 ASP 213.A OD2 no hydrogen 2.916 N/A PHE 217.A N ASP 213.A O no hydrogen 2.676 N/A VAL 218.A N ARG 214.A O no hydrogen 2.616 N/A GLY 219.A N ASP 215.A O no hydrogen 2.213 N/A ASN 222.A ND2 TYR 221.A O no hydrogen 3.124 N/A GLU 226.A N SER 223.A O no hydrogen 3.304 N/A ALA 227.A N LEU 224.A O no hydrogen 2.945 N/A VAL 229.A N PHE 217.A O no hydrogen 2.831 N/A LYS 232.A N VAL 229.A O no hydrogen 3.033 N/A ASN 237.A N ASP 211.A OD2 no hydrogen 3.250 N/A SER 238.A N ASP 211.A OD1 no hydrogen 3.164 N/A SER 238.A OG ASP 211.A OD1 no hydrogen 2.370 N/A TRP 243.A N LEU 168.A O no hydrogen 2.522 N/A ILE 246.A N THR 212.A O no hydrogen 3.323 N/A GLY 247.A N VAL 150.A O no hydrogen 3.342 N/A SER 248.A OG SER 148.A O no hydrogen 2.496 N/A HIS 249.A N SER 148.A OG no hydrogen 3.356 N/A SER 250.A N GLY 209.A O no hydrogen 2.741 N/A VAL 251.A N LEU 146.A O no hydrogen 3.074 N/A VAL 253.A N LEU 144.A O no hydrogen 2.995 N/A GLY 258.A N ASN 136.A O no hydrogen 2.520 N/A GLU 259.A N ALA 256.A O no hydrogen 2.552 N/A ARG 261.A N VAL 134.A O no hydrogen 3.262 N/A LEU 263.A N VAL 132.A O no hydrogen 3.371 N/A VAL 264.A N ASN 204.A OD1 no hydrogen 2.665 N/A TYR 265.A N GLN 130.A O no hydrogen 3.036 N/A VAL 266.A N ALA 202.A O no hydrogen 3.006 N/A LEU 267.A N GLU 128.A O no hydrogen 3.479 N/A GLY 268.A N VAL 200.A O no hydrogen 2.749 N/A TYR 269.A N ASN 126.A O no hydrogen 3.030 N/A TYR 269.A OH GLU 271.A OE1 no hydrogen 2.548 N/A VAL 270.A N GLY 268.A O no hydrogen 2.827 N/A ASN 272.A N ASP 196.A O no hydrogen 3.185 N/A ASN 272.A ND2 ASN 287.A O no hydrogen 3.174 N/A LYS 277.A N ASP 274.A O no hydrogen 2.923 N/A LYS 277.A NZ TYR 191.A O no hydrogen 2.994 N/A LYS 277.A NZ GLU 193.A O no hydrogen 3.357 N/A LYS 277.A NZ ARG 195.A O no hydrogen 2.414 N/A ALA 279.A N VAL 285.A O no hydrogen 3.295 N/A GLN 284.A NE2 ALA 282.A O no hydrogen 3.518 N/A VAL 286.A N GLU 174.A OE2 no hydrogen 3.125 N/A ASN 287.A N LYS 277.A O no hydrogen 2.875 N/A LYS 288.A NZ GLU 174.A OE1 no hydrogen 2.878 N/A GLU 289.A N ASN 287.A OD1 no hydrogen 3.116 N/A ALA 291.A N LYS 288.A O no hydrogen 3.278 N/A HIS 292.A N LYS 288.A O no hydrogen 2.918 N/A ALA 293.A N GLU 289.A O no hydrogen 3.424 N/A LEU 295.A N ALA 291.A O no hydrogen 3.129 N/A SER 296.A N ALA 293.A O no hydrogen 2.553 N/A ARG 297.A N ALA 293.A O no hydrogen 2.957 N/A ARG 297.A N LEU 294.A O no hydrogen 3.127 N/A ARG 297.A NE GLU 125.A OE1 no hydrogen 3.532 N/A THR 300.A OG1 GLN 303.A OE1 no hydrogen 2.103 N/A SER 301.A OG GLU 262.A OE1 no hydrogen 2.388 N/A GLN 303.A NE2 SER 296.A O no hydrogen 3.320 N/A THR 304.A N THR 300.A O no hydrogen 3.127 N/A THR 304.A OG1 THR 300.A O no hydrogen 2.649 N/A ASP 305.A N SER 301.A O no hydrogen 2.656 N/A ALA 306.A N GLU 302.A O no hydrogen 2.773 N/A ALA 307.A N GLN 303.A O no hydrogen 2.737 N/A PHE 308.A N THR 304.A O no hydrogen 3.007 N/A ALA 309.A N ASP 305.A O no hydrogen 3.455 N/A ALA 310.A N ALA 306.A O no hydrogen 3.470 N/A LEU 311.A N ALA 307.A O no hydrogen 3.332 N/A LYS 312.A N PHE 308.A O no hydrogen 3.190 N/A ASP 313.A N ALA 309.A O no hydrogen 2.755 N/A TYR 314.A N ALA 310.A O no hydrogen 2.952 N/A TRP 315.A N LEU 311.A O no hydrogen 2.769 N/A THR 316.A N LYS 312.A O no hydrogen 2.523 N/A THR 316.A OG1 LYS 312.A O no hydrogen 2.242 N/A ASP 317.A N ASP 313.A O no hydrogen 2.390 N/A LEU 318.A N TYR 314.A O no hydrogen 3.082 N/A LEU 319.A N TRP 315.A O no hydrogen 3.096 N/A SER 320.A N ASP 317.A O no hydrogen 3.097 N/A SER 320.A OG ASP 317.A O no hydrogen 2.985 N/A TYR 322.A N LEU 319.A O no hydrogen 3.387 N/A TYR 322.A OH SER 742.A O no hydrogen 2.866 N/A VAL 324.A N ASN 336.A OD1 no hydrogen 2.509 N/A SER 325.A N THR 769.A O no hydrogen 3.038 N/A SER 326.A OG SER 767.A O no hydrogen 3.329 N/A ASP 328.A N SER 326.A OG no hydrogen 3.305 N/A LEU 331.A N ASP 328.A OD1 no hydrogen 3.103 N/A ASP 332.A N ASP 328.A O no hydrogen 2.702 N/A ARG 333.A N GLU 329.A O no hydrogen 2.813 N/A ARG 333.A NE ASP 8.A OD1 no hydrogen 2.980 N/A ARG 333.A NH1 ASP 8.A OD2 no hydrogen 3.472 N/A MET 334.A N LEU 331.A O no hydrogen 2.896 N/A VAL 335.A N LEU 331.A O no hydrogen 3.265 N/A ASN 336.A N ASP 332.A O no hydrogen 2.896 N/A ASN 336.A ND2 VAL 324.A O no hydrogen 3.508 N/A ILE 337.A N ARG 333.A O no hydrogen 2.985 N/A TRP 338.A N ARG 333.A O no hydrogen 2.792 N/A ASN 339.A N MET 334.A O no hydrogen 2.553 N/A GLN 340.A NE2 HIS 378.A NE2 no hydrogen 2.165 N/A TYR 341.A N ILE 337.A O no hydrogen 2.697 N/A TYR 341.A OH TYR 27.A O no hydrogen 2.569 N/A GLN 342.A N TRP 338.A O no hydrogen 2.829 N/A GLN 342.A NE2 TYR 710.A O no hydrogen 2.378 N/A CYS 343.A N ASN 339.A O no hydrogen 2.763 N/A CYS 343.A SG ASN 339.A OD1 no hydrogen 3.611 N/A CYS 343.A SG GLY 375.A O no hydrogen 3.844 N/A CYS 343.A SG ALA 734.A O no hydrogen 2.797 N/A MET 344.A N TYR 341.A O no hydrogen 2.648 N/A VAL 345.A N TYR 341.A O no hydrogen 3.467 N/A THR 346.A OG1 CYS 343.A O no hydrogen 2.546 N/A THR 346.A OG1 ASP 372.A OD2 no hydrogen 2.967 N/A PHE 347.A N CYS 343.A O no hydrogen 3.297 N/A ASN 348.A N MET 344.A O no hydrogen 3.257 N/A ASN 348.A ND2 SER 30.A O no hydrogen 2.573 N/A MET 349.A N VAL 345.A O no hydrogen 2.508 N/A SER 350.A N THR 346.A O no hydrogen 2.676 N/A ARG 351.A NH1 ASP 368.A O no hydrogen 3.114 N/A ARG 351.A NH1 ASP 372.A OD1 no hydrogen 2.676 N/A SER 352.A N MET 349.A O no hydrogen 2.800 N/A SER 352.A OG ARG 362.A O no hydrogen 2.918 N/A SER 354.A OG SER 728.A O no hydrogen 3.373 N/A MET 364.A N TYR 405.A O no hydrogen 2.780 N/A GLY 365.A N SER 350.A OG no hydrogen 2.895 N/A PHE 366.A N HIS 403.A O no hydrogen 2.890 N/A SER 369.A N GLY 365.A O no hydrogen 3.162 N/A SER 369.A OG GLY 365.A O no hydrogen 3.198 N/A ASN 370.A N PHE 366.A O no hydrogen 3.195 N/A GLN 371.A NE2 ARG 367.A O no hydrogen 2.581 N/A LEU 373.A N SER 369.A O no hydrogen 2.558 N/A PHE 376.A N LEU 373.A O no hydrogen 2.622 N/A VAL 377.A N LEU 373.A O no hydrogen 2.781 N/A LEU 379.A N PHE 376.A O no hydrogen 2.711 N/A ILE 380.A N PHE 376.A O no hydrogen 3.338 N/A ARG 383.A NH1 SER 30.A O no hydrogen 2.480 N/A ARG 383.A NH2 SER 30.A O no hydrogen 2.635 N/A ALA 384.A N ILE 380.A O no hydrogen 3.083 N/A ARG 385.A N PRO 381.A O no hydrogen 2.799 N/A ARG 385.A NE TYR 434.A OH no hydrogen 3.286 N/A ARG 385.A NH2 ASP 440.A OD2 no hydrogen 2.289 N/A ARG 385.A NH2 SER 442.A OG no hydrogen 2.659 N/A GLU 386.A N ARG 383.A O no hydrogen 3.397 N/A ARG 387.A NH1 PHE 347.A O no hydrogen 2.935 N/A ILE 388.A N ALA 384.A O no hydrogen 3.243 N/A ASP 390.A N GLU 386.A O no hydrogen 2.436 N/A ILE 391.A N ARG 387.A O no hydrogen 2.448 N/A ALA 392.A N ILE 388.A O no hydrogen 2.806 N/A SER 393.A N ILE 389.A O no hydrogen 3.212 N/A SER 393.A OG ILE 389.A O no hydrogen 2.563 N/A THR 394.A N ILE 391.A O no hydrogen 3.249 N/A THR 394.A OG1 ILE 391.A O no hydrogen 2.570 N/A GLN 395.A NE2 SER 467.A OG no hydrogen 3.208 N/A PHE 396.A N SER 400.A O no hydrogen 2.882 N/A GLY 399.A N PHE 396.A O no hydrogen 2.561 N/A SER 400.A N ASP 398.A OD2 no hydrogen 3.293 N/A TYR 402.A N THR 394.A O no hydrogen 2.941 N/A HIS 403.A ND1 ILE 416.A O no hydrogen 3.204 N/A TYR 405.A N MET 364.A O no hydrogen 2.571 N/A GLN 406.A N ARG 411.A O no hydrogen 2.515 N/A GLN 406.A NE2 ASP 49.A OD2 no hydrogen 2.736 N/A LYS 410.A N PRO 407.A O no hydrogen 3.127 N/A ARG 411.A N GLN 406.A O no hydrogen 3.254 N/A ASN 413.A N GLN 404.A O no hydrogen 3.170 N/A ASN 413.A ND2 GLN 406.A OE1 no hydrogen 2.755 N/A ASN 414.A ND2 ASN 414.A O no hydrogen 3.004 N/A ASN 421.A N ALA 486.A O no hydrogen 3.263 N/A ASN 421.A ND2 LEU 482.A O no hydrogen 3.406 N/A LEU 425.A N ASP 422.A O no hydrogen 2.901 N/A TRP 426.A N ASP 423.A O no hydrogen 2.543 N/A ALA 429.A N LEU 425.A O no hydrogen 3.353 N/A GLY 430.A N TRP 426.A O no hydrogen 3.293 N/A THR 431.A N LEU 427.A O no hydrogen 3.051 N/A THR 431.A OG1 LEU 427.A O no hydrogen 2.927 N/A ALA 432.A N ILE 428.A O no hydrogen 2.725 N/A ALA 433.A N GLY 430.A O no hydrogen 3.132 N/A TYR 434.A N GLY 430.A O no hydrogen 3.161 N/A TYR 434.A OH PRO 381.A O no hydrogen 3.251 N/A LYS 436.A N ALA 432.A O no hydrogen 3.414 N/A GLU 437.A N ALA 433.A O no hydrogen 2.906 N/A THR 438.A N TYR 434.A O no hydrogen 3.075 N/A THR 438.A N ILE 435.A O no hydrogen 2.940 N/A GLY 439.A N ILE 435.A O no hydrogen 2.322 N/A ASP 440.A N THR 438.A OG1 no hydrogen 2.510 N/A ASP 445.A N SER 442.A O no hydrogen 2.882 N/A GLU 446.A N SER 442.A O no hydrogen 3.049 N/A VAL 448.A N VAL 458.A O no hydrogen 2.445 N/A PHE 450.A N SER 456.A OG no hydrogen 3.090 N/A ASP 451.A N SER 393.A O no hydrogen 2.964 N/A GLU 453.A N PHE 450.A O no hydrogen 3.334 N/A GLY 455.A N GLU 457.A OE1 no hydrogen 2.857 N/A GLY 455.A N GLU 457.A OE2 no hydrogen 3.431 N/A SER 456.A OG GLU 453.A O no hydrogen 2.437 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 2.702 N/A VAL 458.A N VAL 448.A O no hydrogen 2.953 N/A LEU 460.A N GLU 446.A O no hydrogen 2.777 N/A GLU 462.A N PRO 459.A O no hydrogen 3.064 N/A HIS 463.A N LEU 460.A O no hydrogen 3.154 N/A HIS 463.A NE2 VAL 448.A O no hydrogen 2.893 N/A LEU 464.A N LEU 460.A O no hydrogen 3.239 N/A THR 465.A N PHE 461.A O no hydrogen 2.750 N/A THR 465.A OG1 PHE 461.A O no hydrogen 3.210 N/A ARG 466.A N GLU 462.A O no hydrogen 2.637 N/A SER 467.A OG PRO 424.A O no hydrogen 2.634 N/A SER 467.A OG HIS 463.A O no hydrogen 3.402 N/A PHE 468.A N LEU 464.A O no hydrogen 3.067 N/A GLU 469.A N THR 465.A O no hydrogen 2.872 N/A PHE 470.A N SER 467.A O no hydrogen 3.200 N/A THR 473.A N GLU 469.A O no hydrogen 3.258 N/A THR 473.A OG1 GLU 469.A O no hydrogen 2.588 N/A HIS 474.A N PHE 470.A O no hydrogen 2.993 N/A HIS 474.A ND1 PHE 470.A O no hydrogen 2.978 N/A GLY 476.A N LEU 480.A O no hydrogen 2.345 N/A HIS 478.A N GLU 517.A OE2 no hydrogen 3.305 N/A GLY 479.A N GLY 476.A O no hydrogen 2.454 N/A LEU 482.A N HIS 474.A O no hydrogen 2.918 N/A ARG 485.A N GLY 419.A O no hydrogen 3.277 N/A ARG 485.A NH1 ILE 508.A O no hydrogen 3.308 N/A ARG 485.A NH2 ILE 508.A O no hydrogen 2.454 N/A ASN 489.A ND2 ASP 487.A OD1 no hydrogen 3.054 N/A CYS 491.A SG GLU 649.A OE2 no hydrogen 2.529 N/A CYS 491.A SG GLU 659.A OE1 no hydrogen 2.849 N/A ASN 493.A ND2 ARG 485.A O no hydrogen 2.779 N/A ASN 493.A ND2 ASP 490.A O no hydrogen 2.961 N/A SER 504.A OG GLN 506.A OE1 no hydrogen 3.076 N/A GLN 506.A NE2 GLU 649.A OE1 no hydrogen 3.139 N/A GLN 506.A NE2 GLU 649.A OE2 no hydrogen 3.206 N/A ILE 508.A N SER 504.A O no hydrogen 2.790 N/A GLN 511.A N ASN 495.A O no hydrogen 2.985 N/A VAL 515.A N TYR 575.A O no hydrogen 3.181 N/A GLU 517.A N TYR 573.A O no hydrogen 2.780 N/A SER 518.A N PRO 481.A O no hydrogen 3.231 N/A THR 519.A N ARG 571.A O no hydrogen 3.400 N/A ILE 521.A N SER 518.A OG no hydrogen 2.768 N/A ALA 523.A N THR 519.A O no hydrogen 3.037 N/A GLN 524.A N PHE 520.A O no hydrogen 3.019 N/A GLN 524.A NE2 ASP 422.A O no hydrogen 3.469 N/A PHE 525.A N ILE 521.A O no hydrogen 2.863 N/A VAL 526.A N ALA 523.A O no hydrogen 2.894 N/A LEU 527.A N GLN 524.A O no hydrogen 2.565 N/A TYR 528.A N GLN 524.A O no hydrogen 2.961 N/A GLY 529.A N PHE 525.A O no hydrogen 2.699 N/A GLN 531.A N LEU 527.A O no hydrogen 3.237 N/A TYR 532.A N TYR 528.A O no hydrogen 2.931 N/A ALA 533.A N GLY 529.A O no hydrogen 2.875 N/A GLU 534.A N GLU 530.A O no hydrogen 3.304 N/A ALA 536.A N TYR 532.A O no hydrogen 2.868 N/A ARG 538.A N GLU 534.A O no hydrogen 2.739 N/A ARG 538.A NH1 ASP 753.A OD1 no hydrogen 3.340 N/A ARG 538.A NH2 GLU 534.A OE2 no hydrogen 3.242 N/A ARG 539.A N ALA 536.A O no hydrogen 3.124 N/A ARG 539.A NH2 ASP 445.A OD2 no hydrogen 3.243 N/A GLY 540.A N ALA 537.A O no hydrogen 2.343 N/A LEU 541.A N ALA 536.A O no hydrogen 3.323 N/A ALA 545.A N ALA 542.A O no hydrogen 3.086 N/A ARG 547.A NH1 GLU 469.A OE1 no hydrogen 3.423 N/A GLY 550.A N ASP 546.A O no hydrogen 2.474 N/A HIS 551.A N ARG 547.A O no hydrogen 2.921 N/A ALA 553.A N GLY 550.A O no hydrogen 2.818 N/A GLU 554.A N GLY 550.A O no hydrogen 3.243 N/A ARG 556.A N VAL 552.A O no hydrogen 2.180 N/A ASP 557.A N ALA 553.A O no hydrogen 2.444 N/A LEU 559.A N ARG 556.A O no hydrogen 3.267 N/A THR 561.A N ASP 557.A O no hydrogen 3.473 N/A THR 561.A OG1 ASP 557.A O no hydrogen 3.118 N/A ASP 565.A N TRP 568.A O no hydrogen 2.630 N/A PHE 569.A N GLN 595.A OE1 no hydrogen 2.431 N/A LEU 570.A N GLY 563.A O no hydrogen 2.522 N/A ARG 571.A NH2 ASP 487.A OD2 no hydrogen 2.446 N/A ALA 572.A N ILE 580.A O no hydrogen 3.243 N/A TYR 573.A OH ASP 562.A O no hydrogen 2.191 N/A ASP 574.A N ASN 578.A O no hydrogen 2.572 N/A TYR 576.A N ASP 574.A OD1 no hydrogen 3.386 N/A GLY 577.A N ASP 574.A O no hydrogen 3.089 N/A ASP 583.A N ASP 565.A OD2 no hydrogen 3.305 N/A ILE 590.A N TYR 637.A O no hydrogen 3.310 N/A TRP 591.A NE1 GLY 588.A O no hydrogen 2.478 N/A ILE 592.A N LEU 635.A O no hydrogen 2.689 N/A GLN 595.A NE2 PHE 569.A O no hydrogen 3.321 N/A GLN 595.A NE2 TRP 591.A O no hydrogen 2.750 N/A GLY 596.A N ILE 592.A O no hydrogen 3.038 N/A PHE 597.A N GLU 593.A O no hydrogen 2.998 N/A ALA 598.A N PRO 594.A O no hydrogen 2.710 N/A VAL 599.A N GLY 596.A O no hydrogen 3.383 N/A MET 600.A N GLY 596.A O no hydrogen 3.227 N/A GLY 602.A N VAL 599.A O no hydrogen 2.999 N/A VAL 603.A N ALA 598.A O no hydrogen 2.772 N/A THR 612.A OG1 GLN 610.A O no hydrogen 3.378 N/A ASP 613.A N ASP 611.A OD1 no hydrogen 2.431 N/A ALA 616.A N GLY 604.A O no hydrogen 2.384 N/A LYS 618.A N ALA 614.A O no hydrogen 2.805 N/A ALA 619.A N PRO 615.A O no hydrogen 2.575 N/A LEU 620.A N ALA 616.A O no hydrogen 3.053 N/A ASP 621.A N ILE 617.A O no hydrogen 2.757 N/A SER 622.A N LYS 618.A O no hydrogen 3.142 N/A SER 622.A OG SER 567.A O no hydrogen 2.934 N/A SER 622.A OG LYS 618.A O no hydrogen 2.433 N/A VAL 623.A N ALA 619.A O no hydrogen 3.509 N/A ASN 624.A N LEU 620.A O no hydrogen 2.910 N/A GLU 625.A N ASP 621.A O no hydrogen 2.841 N/A MET 626.A N SER 622.A O no hydrogen 2.526 N/A ALA 628.A N VAL 623.A O no hydrogen 2.715 N/A GLY 632.A N THR 629.A O no hydrogen 3.032 N/A LEU 635.A N GLY 662.A O no hydrogen 2.758 N/A GLN 636.A NE2 GLU 659.A O no hydrogen 3.130 N/A TYR 637.A N ILE 590.A O no hydrogen 2.868 N/A ALA 639.A N GLU 718.A OE1 no hydrogen 2.534 N/A THR 641.A OG1 GLU 587.A OE1 no hydrogen 3.023 N/A THR 641.A OG1 GLU 587.A OE2 no hydrogen 2.064 N/A THR 642.A OG1 THR 641.A O no hydrogen 2.683 N/A TYR 643.A OH SER 498.A O no hydrogen 2.614 N/A MET 647.A N GLN 644.A O no hydrogen 2.856 N/A GLU 649.A N ASN 493.A OD1 no hydrogen 3.237 N/A SER 651.A OG THR 642.A O no hydrogen 2.473 N/A THR 652.A N GLU 649.A O no hydrogen 3.243 N/A THR 652.A OG1 GLU 649.A O no hydrogen 2.343 N/A ASN 660.A N TYR 657.A O no hydrogen 2.980 N/A ASN 660.A ND2 VAL 650.A O no hydrogen 3.673 N/A GLY 661.A N GLN 636.A OE1 no hydrogen 2.848 N/A GLY 662.A N LYS 658.A O no hydrogen 3.048 N/A CYS 665.A SG ALA 711.A O no hydrogen 2.804 N/A ASN 668.A N CYS 665.A O no hydrogen 2.607 N/A VAL 671.A N ASN 668.A O no hydrogen 2.857 N/A ILE 672.A N ASN 668.A O no hydrogen 3.406 N/A GLU 675.A N VAL 671.A O no hydrogen 2.856 N/A THR 676.A N ILE 672.A O no hydrogen 2.713 N/A THR 676.A OG1 ILE 673.A O no hydrogen 2.807 N/A VAL 677.A N ILE 673.A O no hydrogen 2.180 N/A VAL 678.A N ALA 674.A O no hydrogen 2.548 N/A GLY 679.A N GLU 675.A O no hydrogen 2.454 N/A ARG 680.A NH2 ILE 617.A O no hydrogen 3.404 N/A ARG 683.A N ARG 680.A O no hydrogen 2.930 N/A ALA 684.A N ARG 680.A O no hydrogen 3.213 N/A PHE 685.A N GLY 681.A O no hydrogen 3.243 N/A ASP 686.A N GLY 682.A O no hydrogen 3.296 N/A TYR 687.A N ARG 683.A O no hydrogen 2.857 N/A TYR 688.A N ALA 684.A O no hydrogen 2.716 N/A LYS 689.A N PHE 685.A O no hydrogen 2.706 N/A ILE 691.A N TYR 687.A O no hydrogen 3.003 N/A THR 692.A OG1 TYR 688.A O no hydrogen 2.320 N/A TYR 695.A OH ASP 328.A OD2 no hydrogen 2.544 N/A ARG 696.A N PRO 693.A O no hydrogen 2.403 N/A SER 700.A N MET 1.A O no hydrogen 3.087 N/A SER 700.A OG GLU 697.A O no hydrogen 3.474 N/A VAL 702.A N ILE 699.A O no hydrogen 2.591 N/A ARG 704.A N SER 700.A O no hydrogen 2.916 N/A GLU 706.A N GLU 706.A OE1 no hydrogen 2.408 N/A VAL 709.A N GLU 706.A O no hydrogen 3.419 N/A TYR 710.A N GLN 342.A OE1 no hydrogen 2.197 N/A ILE 714.A N ILE 663.A O no hydrogen 3.301 N/A ALA 715.A N GLU 724.A O no hydrogen 2.320 N/A GLY 716.A N GLY 656.A O no hydrogen 2.818 N/A ALA 719.A N GLY 716.A O no hydrogen 3.094 N/A HIS 722.A N ALA 719.A O no hydrogen 3.308 N/A GLY 723.A N ALA 715.A O no hydrogen 3.207 N/A LYS 726.A N MET 713.A O no hydrogen 2.827 N/A SER 728.A OG GLU 706.A OE1 no hydrogen 2.601 N/A SER 728.A OG GLU 706.A OE2 no hydrogen 2.982 N/A TRP 729.A N TYR 710.A O no hydrogen 3.350 N/A TRP 729.A NE1 ILE 25.A O no hydrogen 3.307 N/A THR 731.A OG1 THR 733.A OG1 no hydrogen 3.005 N/A THR 733.A N THR 731.A OG1 no hydrogen 3.236 N/A THR 733.A OG1 THR 731.A OG1 no hydrogen 3.005 N/A ALA 734.A N THR 731.A O no hydrogen 2.862 N/A TRP 736.A N GLY 732.A O no hydrogen 2.632 N/A ASN 737.A N THR 733.A O no hydrogen 2.776 N/A PHE 738.A N ALA 734.A O no hydrogen 3.429 N/A VAL 739.A N ALA 735.A O no hydrogen 3.420 N/A THR 740.A N TRP 736.A O no hydrogen 3.389 N/A THR 740.A OG1 TRP 736.A O no hydrogen 2.986 N/A VAL 741.A N ASN 737.A O no hydrogen 3.466 N/A SER 742.A N PHE 738.A O no hydrogen 2.700 N/A GLN 743.A N VAL 739.A O no hydrogen 2.577 N/A TYR 744.A N THR 740.A O no hydrogen 2.507 N/A LEU 745.A N THR 740.A O no hydrogen 2.806 N/A LEU 746.A N VAL 741.A O no hydrogen 3.147 N/A ARG 749.A N VAL 756.A O no hydrogen 2.915 N/A TYR 752.A OH ALA 432.A O no hydrogen 2.863 N/A LEU 755.A N VAL 807.A O no hydrogen 2.877 N/A VAL 756.A N ARG 749.A O no hydrogen 2.990 N/A VAL 757.A N ASN 805.A O no hydrogen 2.891 N/A ASP 758.A N GLY 747.A O no hydrogen 2.702 N/A GLN 760.A N LEU 745.A O no hydrogen 3.047 N/A THR 769.A N SER 325.A O no hydrogen 2.794 N/A THR 769.A OG1 THR 782.A OG1 no hydrogen 3.395 N/A VAL 770.A N ILE 781.A O no hydrogen 3.024 N/A THR 771.A OG1 GLU 780.A OE2 no hydrogen 2.601 N/A ARG 772.A N TYR 779.A O no hydrogen 3.121 N/A VAL 773.A N THR 321.A O no hydrogen 3.259 N/A ALA 774.A N ALA 777.A O no hydrogen 2.949 N/A ARG 775.A NH2 LYS 436.A O no hydrogen 3.356 N/A ALA 777.A N ALA 774.A O no hydrogen 2.785 N/A THR 778.A N SER 814.A O no hydrogen 3.151 N/A TYR 779.A N ARG 772.A O no hydrogen 2.999 N/A GLU 780.A N VAL 816.A O no hydrogen 3.066 N/A ILE 781.A N VAL 770.A O no hydrogen 2.659 N/A THR 782.A OG1 THR 769.A OG1 no hydrogen 3.395 N/A VAL 783.A N PHE 768.A O no hydrogen 3.085 N/A THR 784.A N VAL 820.A O no hydrogen 3.270 N/A ASN 785.A N PRO 766.A O no hydrogen 2.809 N/A ASN 785.A ND2 GLY 762.A O no hydrogen 2.488 N/A ASN 785.A ND2 VAL 765.A O no hydrogen 2.479 N/A SER 786.A N LEU 822.A OXT no hydrogen 2.904 N/A GLY 790.A N GLY 679.A O no hydrogen 3.181 N/A SER 791.A N THR 788.A O no hydrogen 2.600 N/A SER 791.A OG THR 788.A O no hydrogen 2.737 N/A SER 791.A OG LEU 822.A O no hydrogen 3.159 N/A ARG 794.A N THR 821.A O no hydrogen 3.030 N/A VAL 796.A N ASP 819.A O no hydrogen 2.674 N/A ASP 798.A N ARG 817.A O no hydrogen 2.727 N/A THR 800.A N VAL 797.A O no hydrogen 3.345 N/A VAL 802.A N LEU 795.A O no hydrogen 3.044 N/A VAL 807.A N LEU 755.A O no hydrogen 2.725 N/A TYR 809.A OH LYS 436.A O no hydrogen 3.407 N/A ALA 810.A N TYR 779.A OH no hydrogen 2.838 N/A GLY 813.A N GLY 776.A O no hydrogen 3.199 N/A SER 814.A OG PRO 811.A O no hydrogen 2.591 N/A SER 814.A OG ALA 812.A O no hydrogen 3.198 N/A VAL 816.A N THR 778.A O no hydrogen 2.974 N/A ARG 817.A N ASP 798.A OD1 no hydrogen 3.120 N/A VAL 818.A N GLU 780.A O no hydrogen 3.282 N/A ASP 819.A N VAL 796.A O no hydrogen 3.368 N/A THR 821.A N ARG 794.A O no hydrogen 3.254 N/A LEU 822.A N THR 784.A O no hydrogen 3.114 N/A