Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w9q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PRO 60.A O no hydrogen 3.232 N/A LYS 4.A NZ ASP 64.A OD1 no hydrogen 3.559 N/A LYS 4.A NZ ASP 64.A OD2 no hydrogen 2.914 N/A VAL 5.A N VAL 62.A O no hydrogen 2.893 N/A VAL 13.A N LYS 26.A O no hydrogen 2.989 N/A ILE 15.A N LEU 24.A O no hydrogen 2.921 N/A GLN 16.A NE2 GLY 20.A O no hydrogen 3.493 N/A GLN 16.A NE2 ALA 94.A O no hydrogen 2.863 N/A SER 17.A N HIS 22.A O no hydrogen 3.024 N/A SER 17.A OG HIS 22.A O no hydrogen 3.239 N/A ASP 18.A N THR 660.A O no hydrogen 3.385 N/A ASN 19.A ND2 ASN 692.A OD1 no hydrogen 3.627 N/A GLY 20.A N SER 17.A O no hydrogen 3.080 N/A LYS 21.A NZ TYR 102.A OH no hydrogen 3.106 N/A HIS 22.A N SER 17.A OG no hydrogen 3.313 N/A LEU 24.A N ILE 15.A O no hydrogen 2.833 N/A ILE 25.A N LEU 719.A O no hydrogen 2.857 N/A LYS 26.A N VAL 13.A O no hydrogen 2.932 N/A LYS 26.A NZ GLU 27.A O no hydrogen 3.062 N/A LYS 26.A NZ TYR 656.A OH no hydrogen 2.954 N/A GLU 27.A N CYS 717.A O no hydrogen 3.393 N/A GLY 30.A N ASP 28.A OD1 no hydrogen 3.211 N/A GLN 31.A NE2 GLY 583.A O no hydrogen 3.686 N/A GLN 31.A NE2 PHE 654.A O no hydrogen 2.793 N/A TRP 32.A NE1 LEU 29.A O no hydrogen 3.123 N/A VAL 34.A N ASN 653.A OD1 no hydrogen 3.099 N/A GLU 35.A N GLN 43.A OE1 no hydrogen 2.948 N/A GLN 43.A NE2 GLU 35.A O no hydrogen 2.964 N/A GLN 43.A NE2 SER 39.A O no hydrogen 3.066 N/A ALA 44.A N LEU 40.A O no hydrogen 2.922 N/A GLY 45.A N VAL 41.A O no hydrogen 3.090 N/A PHE 47.A N GLN 43.A O no hydrogen 3.193 N/A ALA 48.A N ALA 44.A O no hydrogen 2.772 N/A ALA 48.A N GLY 45.A O no hydrogen 3.226 N/A LEU 51.A N PHE 47.A O no hydrogen 2.945 N/A ALA 52.A N ALA 48.A O no hydrogen 2.912 N/A ASN 53.A N VAL 49.A O no hydrogen 2.900 N/A LYS 54.A N GLN 50.A O no hydrogen 2.903 N/A LEU 55.A N LEU 51.A O no hydrogen 2.982 N/A GLY 56.A N ASN 53.A O no hydrogen 3.247 N/A ILE 57.A N ALA 52.A O no hydrogen 2.983 N/A ASP 58.A N ASP 58.A OD1 no hydrogen 2.335 N/A VAL 62.A N ILE 3.A O no hydrogen 2.938 N/A ASP 64.A N VAL 5.A O no hydrogen 2.819 N/A ASN 68.A N ALA 65.A O no hydrogen 3.461 N/A ASN 68.A ND2 PRO 6.A O no hydrogen 3.088 N/A ASN 68.A ND2 ASP 84.A OD2 no hydrogen 3.406 N/A PHE 70.A N TYR 81.A O no hydrogen 3.061 N/A SER 74.A N ASP 72.A OD1 no hydrogen 3.035 N/A ILE 76.A N SER 74.A OG no hydrogen 3.229 N/A ASP 77.A N SER 74.A OG no hydrogen 3.397 N/A ARG 79.A N ASP 77.A OD1 no hydrogen 3.183 N/A ARG 79.A NE ASP 77.A OD1 no hydrogen 3.438 N/A ARG 79.A NH2 ASP 77.A OD2 no hydrogen 2.969 N/A LYS 80.A NZ TYR 69.A OH no hydrogen 3.440 N/A TYR 81.A N PHE 70.A O no hydrogen 2.946 N/A TYR 81.A OH ASP 77.A OD2 no hydrogen 3.166 N/A CYS 82.A N SER 119.A O no hydrogen 3.060 N/A CYS 82.A SG ASN 68.A O no hydrogen 3.710 N/A THR 83.A N ASN 68.A O no hydrogen 3.190 N/A LEU 86.A N PHE 134.A O no hydrogen 3.061 N/A SER 87.A N GLU 90.A OE2 no hydrogen 3.426 N/A ARG 89.A N SER 87.A OG no hydrogen 3.192 N/A ARG 89.A NH1 GLN 92.A OE1 no hydrogen 2.572 N/A GLU 90.A N SER 87.A O no hydrogen 3.072 N/A GLN 92.A N PRO 88.A O no hydrogen 2.925 N/A GLN 92.A NE2 ASN 112.A OD1 no hydrogen 2.976 N/A LYS 93.A N ARG 89.A O no hydrogen 2.862 N/A ALA 94.A N GLU 90.A O no hydrogen 2.982 N/A LEU 95.A N ILE 91.A O no hydrogen 2.845 N/A ASN 96.A N GLN 92.A O no hydrogen 2.671 N/A ARG 97.A N LYS 93.A O no hydrogen 2.892 N/A GLN 98.A N ALA 94.A O no hydrogen 3.177 N/A GLN 98.A NE2 GLY 20.A O no hydrogen 3.664 N/A ARG 99.A N LEU 95.A O no hydrogen 3.215 N/A ARG 99.A NH1 PRO 105.A O no hydrogen 3.074 N/A ALA 100.A N ASN 96.A O no hydrogen 3.383 N/A TYR 101.A N ARG 97.A O no hydrogen 3.267 N/A ASP 103.A N ALA 100.A O no hydrogen 3.463 N/A ARG 104.A N ARG 99.A O no hydrogen 3.054 N/A LEU 107.A N GLU 106.A OE1 no hydrogen 3.293 N/A THR 108.A N GLU 111.A OE1 no hydrogen 3.344 N/A THR 108.A OG1 SER 110.A OG no hydrogen 3.050 N/A SER 110.A OG THR 108.A OG1 no hydrogen 3.050 N/A GLU 111.A N THR 108.A OG1 no hydrogen 2.995 N/A ASN 112.A N THR 108.A O no hydrogen 2.688 N/A LYS 113.A N ILE 109.A O no hydrogen 2.910 N/A THR 114.A N SER 110.A O no hydrogen 3.153 N/A LEU 115.A N GLU 111.A O no hydrogen 3.234 N/A LEU 116.A N ASN 112.A O no hydrogen 2.892 N/A SER 117.A OG LYS 113.A O no hydrogen 3.060 N/A SER 117.A OG THR 114.A O no hydrogen 3.222 N/A GLN 118.A N LEU 115.A O no hydrogen 3.234 N/A GLN 118.A NE2 THR 114.A O no hydrogen 2.690 N/A ILE 120.A N ILE 132.A O no hydrogen 3.263 N/A ILE 121.A N LYS 80.A O no hydrogen 3.246 N/A TYR 122.A N VAL 130.A O no hydrogen 3.112 N/A ASP 124.A N ASN 128.A O no hydrogen 2.928 N/A GLY 127.A N ASP 124.A O no hydrogen 3.389 N/A ASP 129.A N SER 733.A O no hydrogen 2.934 N/A VAL 130.A N TYR 122.A O no hydrogen 2.943 N/A SER 131.A N TYR 731.A O no hydrogen 2.726 N/A ILE 132.A N ILE 120.A O no hydrogen 2.925 N/A ILE 133.A N HIS 729.A O no hydrogen 2.966 N/A SER 135.A N ALA 727.A O no hydrogen 2.782 N/A SER 135.A OG GLY 136.A O no hydrogen 3.288 N/A SER 135.A OG TYR 731.A OH no hydrogen 2.647 N/A GLY 136.A N HIS 10.A O no hydrogen 3.367 N/A SER 139.A N GLU 27.A OE2 no hydrogen 3.096 N/A SER 139.A OG ASN 11.A OD1 no hydrogen 2.764 N/A SER 139.A OG GLU 27.A OE2 no hydrogen 3.462 N/A HIS 140.A N GLY 136.A O no hydrogen 3.164 N/A HIS 140.A NE2 ASP 730.A O no hydrogen 2.598 N/A ALA 141.A N ALA 137.A O no hydrogen 2.995 N/A ILE 142.A N MET 138.A O no hydrogen 3.078 N/A PHE 143.A N SER 139.A O no hydrogen 2.928 N/A THR 144.A N HIS 140.A O no hydrogen 2.966 N/A THR 144.A OG1 HIS 140.A O no hydrogen 2.569 N/A TYR 145.A N ALA 141.A O no hydrogen 3.137 N/A ALA 146.A N ILE 142.A O no hydrogen 3.065 N/A GLN 147.A N PHE 143.A O no hydrogen 3.136 N/A GLN 147.A NE2 VAL 732.A O no hydrogen 3.231 N/A SER 148.A N THR 144.A O no hydrogen 3.147 N/A SER 148.A OG THR 144.A O no hydrogen 2.841 N/A GLN 149.A N TYR 145.A O no hydrogen 3.124 N/A TRP 150.A N ALA 146.A O no hydrogen 3.055 N/A ASN 151.A N GLN 147.A O no hydrogen 3.012 N/A LYS 152.A N GLN 149.A O no hydrogen 3.394 N/A LYS 152.A NZ GLN 149.A OE1 no hydrogen 3.221 N/A ASN 153.A N TRP 150.A O no hydrogen 3.127 N/A ASN 153.A ND2 GLU 190.A OE1 no hydrogen 3.287 N/A ILE 154.A N ASN 151.A O no hydrogen 3.372 N/A ILE 155.A N VAL 187.A O no hydrogen 3.151 N/A LYS 156.A NZ TYR 186.A OH no hydrogen 3.456 N/A LEU 157.A N GLY 185.A O no hydrogen 3.181 N/A TYR 160.A N LYS 156.A O no hydrogen 3.001 N/A ILE 161.A N LEU 157.A O no hydrogen 2.979 N/A ARG 162.A N ASP 158.A O no hydrogen 3.259 N/A GLU 163.A N TYR 160.A O no hydrogen 3.171 N/A ILE 164.A N TYR 160.A O no hydrogen 3.370 N/A ILE 164.A N ILE 161.A O no hydrogen 3.226 N/A THR 167.A N ILE 164.A O no hydrogen 3.390 N/A THR 167.A OG1 ILE 164.A O no hydrogen 3.108 N/A TYR 172.A OH ASP 467.A OD2 no hydrogen 3.041 N/A ARG 175.A N VAL 746.A O no hydrogen 2.842 N/A ARG 175.A NH1 ASP 743.A O no hydrogen 2.667 N/A ARG 175.A NH1 ALA 745.A O no hydrogen 2.989 N/A ARG 175.A NH2 ASP 743.A O no hydrogen 3.454 N/A LYS 178.A N GLU 181.A OE2 no hydrogen 2.696 N/A HIS 182.A N LYS 178.A O no hydrogen 3.219 N/A THR 183.A N GLU 179.A O no hydrogen 3.347 N/A HIS 184.A N ILE 180.A O no hydrogen 2.859 N/A TYR 186.A N VAL 739.A O no hydrogen 2.794 N/A VAL 187.A N ILE 155.A O no hydrogen 3.054 N/A ARG 189.A N ASN 153.A O no hydrogen 3.130 N/A ASN 192.A N GLU 190.A OE2 no hydrogen 3.196 N/A SER 195.A OG GLU 427.A OE1 no hydrogen 3.189 N/A VAL 200.A N LEU 196.A O no hydrogen 3.150 N/A ASP 201.A N LEU 197.A O no hydrogen 2.768 N/A ALA 202.A N PRO 198.A O no hydrogen 3.428 N/A ASN 203.A N LEU 199.A O no hydrogen 3.115 N/A LYS 205.A NZ ASP 537.A OD2 no hydrogen 2.694 N/A SER 207.A N ASN 203.A O no hydrogen 3.176 N/A SER 207.A OG ASN 203.A O no hydrogen 2.672 N/A SER 208.A N LEU 204.A O no hydrogen 2.947 N/A SER 208.A OG LEU 204.A O no hydrogen 2.772 N/A SER 208.A OG ARG 433.A O no hydrogen 3.170 N/A SER 209.A N LYS 205.A O no hydrogen 3.049 N/A SER 209.A OG GLU 438.A OE1 no hydrogen 2.781 N/A TYR 210.A N GLU 206.A O no hydrogen 3.035 N/A TYR 210.A OH GLU 476.A OE1 no hydrogen 2.857 N/A TYR 211.A N SER 207.A O no hydrogen 3.266 N/A PHE 212.A N SER 208.A O no hydrogen 2.916 N/A LYS 213.A N SER 209.A O no hydrogen 3.156 N/A LYS 214.A N TYR 210.A O no hydrogen 3.187 N/A LEU 215.A N TYR 211.A O no hydrogen 3.019 N/A MET 216.A N PHE 212.A O no hydrogen 3.096 N/A SER 217.A N LYS 213.A O no hydrogen 3.165 N/A SER 217.A OG LYS 213.A O no hydrogen 2.656 N/A SER 218.A N LYS 214.A O no hydrogen 3.395 N/A SER 218.A OG TYR 420.A OH no hydrogen 2.572 N/A SER 218.A OG GLU 469.A OE1 no hydrogen 3.085 N/A ILE 219.A N LEU 215.A O no hydrogen 2.899 N/A SER 220.A N MET 216.A O no hydrogen 2.871 N/A SER 220.A OG MET 216.A O no hydrogen 2.635 N/A ASN 221.A N SER 218.A O no hydrogen 3.411 N/A VAL 222.A N ILE 219.A O no hydrogen 2.954 N/A ASP 225.A N GLN 455.A O no hydrogen 3.091 N/A LEU 230.A N HIS 226.A O no hydrogen 3.497 N/A THR 231.A N VAL 227.A O no hydrogen 2.789 N/A THR 231.A OG1 VAL 227.A O no hydrogen 2.794 N/A THR 231.A OG1 SER 228.A O no hydrogen 3.159 N/A VAL 242.A N ASN 238.A O no hydrogen 3.039 N/A ARG 243.A N ALA 239.A O no hydrogen 2.855 N/A ALA 244.A N PRO 240.A O no hydrogen 3.212 N/A ILE 245.A N THR 241.A O no hydrogen 3.215 N/A THR 246.A N VAL 242.A O no hydrogen 3.057 N/A THR 246.A OG1 VAL 242.A O no hydrogen 2.995 N/A VAL 247.A N ARG 243.A O no hydrogen 3.164 N/A LEU 248.A N ALA 244.A O no hydrogen 2.962 N/A THR 249.A N ILE 245.A O no hydrogen 2.907 N/A THR 249.A OG1 ILE 245.A O no hydrogen 3.159 N/A THR 249.A OG1 THR 246.A O no hydrogen 2.545 N/A CYS 250.A N THR 246.A O no hydrogen 3.383 N/A CYS 250.A SG TYR 354.A O no hydrogen 3.555 N/A MET 251.A N VAL 247.A O no hydrogen 2.946 N/A PHE 252.A N LEU 248.A O no hydrogen 3.250 N/A LYS 253.A N PHE 429.A O no hydrogen 3.303 N/A ILE 257.A N SER 284.A O no hydrogen 3.061 N/A TYR 261.A N TYR 292.A OH no hydrogen 3.370 N/A ALA 262.A N ASP 269.A OD2 no hydrogen 3.469 N/A MET 268.A N ASN 266.A OD1 no hydrogen 3.011 N/A ASP 269.A N ASN 266.A OD1 no hydrogen 3.143 N/A VAL 270.A N ASN 266.A O no hydrogen 3.301 N/A ALA 271.A N ILE 267.A O no hydrogen 3.103 N/A ALA 272.A N MET 268.A O no hydrogen 2.903 N/A ALA 273.A N ASP 269.A O no hydrogen 2.899 N/A THR 274.A N VAL 270.A O no hydrogen 2.933 N/A THR 274.A OG1 VAL 270.A O no hydrogen 2.537 N/A CYS 275.A N ALA 271.A O no hydrogen 2.978 N/A CYS 275.A SG ALA 271.A O no hydrogen 3.221 N/A MET 276.A N ALA 272.A O no hydrogen 2.909 N/A LEU 277.A N ALA 273.A O no hydrogen 3.123 N/A LEU 278.A N THR 274.A O no hydrogen 2.948 N/A PHE 279.A N CYS 275.A O no hydrogen 2.983 N/A ARG 280.A NE GLU 446.A OE2 no hydrogen 3.350 N/A ARG 280.A NH1 THR 246.A OG1 no hydrogen 3.007 N/A ARG 280.A NH2 GLU 446.A OE1 no hydrogen 3.441 N/A ALA 282.A N TYR 332.A O no hydrogen 3.001 N/A GLN 283.A N GLN 283.A OE1 no hydrogen 2.813 N/A SER 284.A N PRO 281.A O no hydrogen 3.222 N/A SER 284.A OG PRO 281.A O no hydrogen 3.159 N/A ILE 285.A N ALA 282.A O no hydrogen 3.228 N/A SER 286.A OG GLU 288.A OE1 no hydrogen 2.879 N/A GLN 289.A N SER 286.A OG no hydrogen 3.242 N/A TYR 290.A N SER 286.A O no hydrogen 2.969 N/A TYR 290.A OH VAL 329.A O no hydrogen 2.325 N/A ARG 291.A N ASP 287.A O no hydrogen 2.913 N/A ARG 291.A NE ASP 312.A O no hydrogen 3.308 N/A TYR 292.A N GLU 288.A O no hydrogen 2.889 N/A CYS 293.A N GLN 289.A O no hydrogen 2.951 N/A CYS 293.A SG TYR 261.A OH no hydrogen 2.799 N/A CYS 293.A SG GLN 289.A O no hydrogen 3.311 N/A LEU 294.A N TYR 290.A O no hydrogen 3.059 N/A GLN 295.A N ARG 291.A O no hydrogen 2.904 N/A THR 296.A N TYR 292.A O no hydrogen 2.986 N/A THR 296.A OG1 TYR 292.A O no hydrogen 2.731 N/A THR 296.A OG1 TYR 306.A OH no hydrogen 3.031 N/A MET 297.A N CYS 293.A O no hydrogen 3.146 N/A ALA 298.A N LEU 294.A O no hydrogen 2.917 N/A VAL 299.A N GLN 295.A O no hydrogen 2.839 N/A PHE 300.A N THR 296.A O no hydrogen 3.315 N/A LEU 301.A N MET 297.A O no hydrogen 2.924 N/A THR 302.A N ALA 298.A O no hydrogen 3.082 N/A ASN 303.A N PHE 300.A O no hydrogen 3.356 N/A THR 305.A N THR 304.A OG1 no hydrogen 2.630 N/A TYR 306.A OH THR 296.A OG1 no hydrogen 3.031 N/A ILE 308.A N THR 305.A O no hydrogen 3.170 N/A ASN 310.A N ASP 307.A O no hydrogen 3.481 N/A ASP 312.A N VAL 309.A O no hydrogen 3.341 N/A LEU 317.A N THR 313.A O no hydrogen 3.007 N/A LYS 318.A N ILE 314.A O no hydrogen 2.980 N/A MET 319.A N ASP 315.A O no hydrogen 3.088 N/A LYS 320.A N VAL 316.A O no hydrogen 3.016 N/A LYS 320.A NZ ASP 312.A OD2 no hydrogen 2.950 N/A LEU 321.A N LEU 317.A O no hydrogen 3.098 N/A ARG 322.A N LYS 318.A O no hydrogen 2.937 N/A ASN 323.A N MET 319.A O no hydrogen 3.097 N/A GLN 324.A N LYS 320.A O no hydrogen 3.321 N/A GLN 324.A NE2 ARG 382.A O no hydrogen 3.516 N/A GLY 325.A N LEU 321.A O no hydrogen 3.179 N/A TRP 326.A N LEU 321.A O no hydrogen 2.941 N/A VAL 329.A N PRO 327.A O no hydrogen 2.932 N/A ARG 331.A NH1 ASP 287.A OD1 no hydrogen 3.047 N/A ARG 331.A NH2 ASP 287.A OD1 no hydrogen 2.696 N/A TYR 332.A OH GLU 368.A OE1 no hydrogen 2.243 N/A ILE 337.A N TYR 353.A O no hydrogen 2.681 N/A MET 339.A N GLY 351.A O no hydrogen 2.916 N/A GLU 342.A N LEU 166.A O no hydrogen 3.034 N/A ARG 345.A NH2 GLY 194.A O no hydrogen 3.285 N/A SER 346.A OG PRO 343.A O no hydrogen 2.762 N/A SER 346.A OG SER 346.A O no hydrogen 2.565 N/A GLY 348.A N GLU 342.A OE1 no hydrogen 3.442 N/A TYR 353.A N ILE 337.A O no hydrogen 2.922 N/A TYR 354.A N CYS 250.A O no hydrogen 3.174 N/A ASN 355.A N VAL 335.A O no hydrogen 2.913 N/A ASN 355.A ND2 ILE 359.A O no hydrogen 2.497 N/A ASN 358.A ND2 LEU 278.A O no hydrogen 3.126 N/A ASN 358.A ND2 ARG 280.A O no hydrogen 3.155 N/A ILE 359.A N PRO 356.A O no hydrogen 3.428 N/A ASP 360.A N LYS 365.A O no hydrogen 2.791 N/A LEU 362.A N ASP 360.A OD1 no hydrogen 2.924 N/A THR 363.A N ASP 360.A OD1 no hydrogen 3.303 N/A LYS 364.A N ASP 360.A O no hydrogen 2.594 N/A LYS 364.A NZ PRO 361.A O no hydrogen 2.875 N/A LYS 365.A N THR 363.A OG1 no hydrogen 3.222 N/A HIS 366.A NE2 LEU 278.A O no hydrogen 2.667 N/A VAL 367.A N ASN 358.A O no hydrogen 3.127 N/A GLU 368.A N HIS 366.A ND1 no hydrogen 3.055 N/A ARG 370.A NE GLU 368.A OE2 no hydrogen 3.459 N/A GLU 372.A N GLU 372.A OE1 no hydrogen 2.914 N/A PHE 374.A N ARG 370.A O no hydrogen 2.886 N/A ILE 375.A N LEU 371.A O no hydrogen 3.112 N/A ASN 376.A N GLU 372.A O no hydrogen 3.378 N/A GLN 377.A N GLU 373.A O no hydrogen 3.180 N/A VAL 378.A N PHE 374.A O no hydrogen 3.091 N/A GLN 379.A N ILE 375.A O no hydrogen 3.078 N/A VAL 380.A N ASN 376.A O no hydrogen 3.315 N/A GLY 381.A N VAL 378.A O no hydrogen 3.259 N/A THR 393.A N ASN 389.A O no hydrogen 3.271 N/A THR 393.A OG1 ASN 389.A O no hydrogen 2.595 N/A THR 394.A N ALA 390.A O no hydrogen 3.144 N/A THR 394.A OG1 ALA 390.A O no hydrogen 2.711 N/A LEU 395.A N VAL 391.A O no hydrogen 2.984 N/A ALA 396.A N GLY 392.A O no hydrogen 2.872 N/A ALA 397.A N THR 393.A O no hydrogen 3.020 N/A PHE 398.A N THR 394.A O no hydrogen 3.064 N/A LEU 399.A N LEU 395.A O no hydrogen 2.848 N/A ARG 400.A N ALA 396.A O no hydrogen 3.057 N/A ARG 400.A NH2 GLN 379.A OE1 no hydrogen 3.017 N/A ALA 401.A N ALA 397.A O no hydrogen 3.197 N/A CYS 402.A N PHE 398.A O no hydrogen 3.222 N/A CYS 402.A SG PHE 398.A O no hydrogen 3.307 N/A ARG 403.A N LEU 399.A O no hydrogen 3.018 N/A ARG 403.A NE ASP 404.A OD1 no hydrogen 3.399 N/A ARG 403.A NH2 ASP 404.A OD1 no hydrogen 3.370 N/A ASP 404.A N ARG 400.A O no hydrogen 3.144 N/A LYS 405.A N ALA 401.A O no hydrogen 3.099 N/A THR 406.A N CYS 402.A O no hydrogen 2.952 N/A THR 406.A OG1 CYS 402.A O no hydrogen 2.944 N/A THR 406.A OG1 ARG 403.A O no hydrogen 2.978 N/A SER 407.A N ARG 403.A O no hydrogen 3.152 N/A SER 407.A OG ARG 403.A O no hydrogen 2.971 N/A ALA 408.A N ASP 404.A O no hydrogen 3.076 N/A ASN 409.A N LYS 405.A O no hydrogen 3.156 N/A TYR 413.A N ASN 409.A O no hydrogen 3.388 N/A TYR 413.A OH ALA 454.A O no hydrogen 3.212 N/A SER 414.A N TRP 410.A O no hydrogen 2.951 N/A SER 414.A OG ASN 355.A OD1 no hydrogen 2.953 N/A VAL 415.A N ARG 411.A O no hydrogen 3.189 N/A LEU 416.A N GLY 412.A O no hydrogen 3.346 N/A VAL 417.A N TYR 413.A O no hydrogen 2.917 N/A SER 418.A N SER 414.A O no hydrogen 2.984 N/A SER 418.A OG VAL 415.A O no hydrogen 3.082 N/A ARG 419.A N VAL 415.A O no hydrogen 3.090 N/A ARG 419.A NH1 ARG 419.A O no hydrogen 3.253 N/A ARG 419.A NH2 ASP 467.A OD2 no hydrogen 3.274 N/A TYR 420.A N LEU 416.A O no hydrogen 3.220 N/A TYR 420.A OH SER 218.A OG no hydrogen 2.572 N/A ARG 421.A N VAL 417.A O no hydrogen 2.912 N/A ARG 421.A NE ARG 352.A O no hydrogen 3.255 N/A ARG 421.A NH1 ARG 421.A O no hydrogen 3.181 N/A ARG 421.A NH2 ASN 426.A OD1 no hydrogen 2.887 N/A SER 422.A N SER 418.A O no hydrogen 3.378 N/A SER 422.A OG SER 418.A O no hydrogen 2.955 N/A LEU 423.A N TYR 420.A O no hydrogen 3.225 N/A ILE 424.A N ARG 421.A O no hydrogen 3.332 N/A ASN 426.A ND2 VAL 350.A O no hydrogen 3.581 N/A PHE 429.A N PRO 425.A O no hydrogen 3.118 N/A GLU 430.A N ASN 426.A O no hydrogen 3.138 N/A SER 431.A OG GLU 427.A O no hydrogen 2.780 N/A LEU 432.A N LEU 428.A O no hydrogen 3.394 N/A ARG 433.A N SER 208.A OG no hydrogen 3.342 N/A ARG 433.A NH1 GLU 430.A O no hydrogen 2.943 N/A ARG 433.A NH1 LEU 432.A O no hydrogen 3.181 N/A ARG 433.A NH2 GLU 430.A O no hydrogen 3.121 N/A ASN 434.A ND2 ARG 256.A O no hydrogen 2.719 N/A SER 436.A OG ILE 435.A O no hydrogen 2.346 N/A ILE 441.A N GLY 258.A O no hydrogen 3.156 N/A ASN 442.A ND2 ASP 445.A OD1 no hydrogen 3.394 N/A GLU 446.A N ASN 442.A O no hydrogen 3.039 N/A HIS 447.A N PRO 443.A O no hydrogen 3.412 N/A HIS 447.A ND1 GLN 444.A O no hydrogen 2.761 N/A SER 448.A N GLN 444.A O no hydrogen 3.062 N/A SER 448.A OG GLN 444.A O no hydrogen 2.464 N/A PHE 449.A N ASP 445.A O no hydrogen 2.901 N/A PHE 450.A N GLU 446.A O no hydrogen 3.273 N/A PHE 451.A N HIS 447.A O no hydrogen 3.237 N/A ALA 452.A N SER 448.A O no hydrogen 3.116 N/A GLN 455.A NE2 ALA 408.A O no hydrogen 3.506 N/A ASN 457.A N PRO 223.A O no hydrogen 3.001 N/A ILE 463.A N ASP 459.A O no hydrogen 3.213 N/A GLY 464.A N ASP 460.A O no hydrogen 2.999 N/A ALA 465.A N GLU 461.A O no hydrogen 2.909 N/A ILE 466.A N PHE 462.A O no hydrogen 3.004 N/A ASP 467.A N ILE 463.A O no hydrogen 3.079 N/A LYS 468.A N GLY 464.A O no hydrogen 3.149 N/A GLU 469.A N ALA 465.A O no hydrogen 3.104 N/A SER 470.A N ILE 466.A O no hydrogen 2.918 N/A ALA 471.A N ASP 467.A O no hydrogen 3.333 N/A GLU 472.A N LYS 468.A O no hydrogen 3.109 N/A TYR 473.A N GLU 469.A O no hydrogen 2.790 N/A LEU 474.A N SER 470.A O no hydrogen 3.049 N/A ASP 475.A N ALA 471.A O no hydrogen 3.165 N/A GLU 476.A N GLU 472.A O no hydrogen 2.952 N/A TYR 477.A N TYR 473.A O no hydrogen 2.935 N/A ALA 478.A N LEU 474.A O no hydrogen 3.100 N/A THR 479.A N ASP 475.A O no hydrogen 2.897 N/A THR 479.A OG1 ASP 475.A O no hydrogen 2.588 N/A LEU 480.A N GLU 476.A O no hydrogen 3.010 N/A ALA 481.A N TYR 477.A O no hydrogen 3.007 N/A ARG 482.A N ALA 478.A O no hydrogen 3.233 N/A ASP 483.A N THR 479.A O no hydrogen 3.189 N/A ILE 484.A N LEU 480.A O no hydrogen 3.002 N/A SER 485.A N ALA 481.A O no hydrogen 3.157 N/A SER 485.A OG ARG 482.A O no hydrogen 2.725 N/A ASN 486.A N ARG 482.A O no hydrogen 2.957 N/A SER 487.A N ASP 483.A O no hydrogen 2.909 N/A SER 487.A OG ASP 483.A O no hydrogen 2.563 N/A SER 487.A OG TYR 545.A OH no hydrogen 2.890 N/A LEU 488.A N ILE 484.A O no hydrogen 2.937 N/A THR 489.A N SER 485.A O no hydrogen 3.104 N/A THR 489.A OG1 SER 485.A O no hydrogen 2.973 N/A THR 489.A OG1 ASN 486.A O no hydrogen 2.727 N/A LEU 490.A N ASN 486.A O no hydrogen 3.071 N/A VAL 491.A N SER 487.A O no hydrogen 3.014 N/A LYS 492.A N LEU 488.A O no hydrogen 3.277 N/A ALA 493.A N THR 489.A O no hydrogen 3.222 N/A ALA 494.A N LEU 490.A O no hydrogen 3.180 N/A PHE 495.A N VAL 491.A O no hydrogen 3.136 N/A SER 504.A OG GLU 499.A O no hydrogen 2.952 N/A SER 504.A OG THR 501.A O no hydrogen 2.717 N/A ILE 505.A N THR 501.A O no hydrogen 3.232 N/A ILE 506.A N SER 502.A O no hydrogen 2.927 N/A ASN 507.A N GLY 503.A O no hydrogen 2.908 N/A HIS 508.A N SER 504.A O no hydrogen 2.952 N/A HIS 508.A NE2 ASP 550.A OD1 no hydrogen 2.907 N/A ALA 509.A N ILE 505.A O no hydrogen 3.055 N/A ASN 510.A N ILE 506.A O no hydrogen 3.112 N/A ASN 511.A N ASN 507.A O no hydrogen 3.111 N/A LEU 512.A N HIS 508.A O no hydrogen 2.922 N/A ASN 513.A N ALA 509.A O no hydrogen 3.157 N/A LYS 514.A N ASN 510.A O no hydrogen 3.094 N/A VAL 515.A N ASN 511.A O no hydrogen 2.994 N/A ILE 516.A N LEU 512.A O no hydrogen 3.018 N/A ASN 517.A N ASN 513.A O no hydrogen 2.884 N/A HIS 518.A N LYS 514.A O no hydrogen 3.175 N/A VAL 519.A N VAL 515.A O no hydrogen 2.948 N/A ALA 521.A N HIS 518.A O no hydrogen 3.380 N/A LEU 525.A N VAL 519.A O no hydrogen 3.160 N/A SER 527.A OG ASP 483.A OD2 no hydrogen 2.682 N/A LEU 531.A N SER 527.A O no hydrogen 3.464 N/A LYS 532.A N GLU 528.A O no hydrogen 3.136 N/A ILE 533.A N THR 529.A O no hydrogen 3.237 N/A LEU 534.A N MET 530.A O no hydrogen 2.920 N/A THR 535.A N LEU 531.A O no hydrogen 2.948 N/A THR 535.A OG1 LEU 531.A O no hydrogen 2.721 N/A GLY 538.A N THR 535.A O no hydrogen 2.576 N/A THR 539.A OG1 THR 540.A O no hydrogen 3.489 N/A GLY 544.A N THR 540.A O no hydrogen 2.839 N/A TYR 545.A N GLY 541.A O no hydrogen 3.074 N/A TYR 545.A OH SER 487.A OG no hydrogen 2.890 N/A ARG 546.A N LYS 542.A O no hydrogen 3.213 N/A ASN 547.A N ASP 543.A O no hydrogen 3.068 N/A TRP 548.A N GLY 544.A O no hydrogen 3.038 N/A LEU 549.A N TYR 545.A O no hydrogen 2.933 N/A ASP 550.A N ARG 546.A O no hydrogen 3.208 N/A LYS 551.A N ASN 547.A O no hydrogen 3.283 N/A LEU 552.A N TRP 548.A O no hydrogen 3.239 N/A LEU 552.A N LEU 549.A O no hydrogen 3.157 N/A VAL 553.A N ASP 550.A O no hydrogen 3.423 N/A HIS 555.A N LEU 552.A O no hydrogen 3.234 N/A TYR 557.A N HIS 555.A ND1 no hydrogen 3.169 N/A ASN 566.A N GLU 562.A O no hydrogen 3.222 N/A ILE 567.A N PRO 563.A O no hydrogen 3.036 N/A MET 568.A N VAL 564.A O no hydrogen 3.209 N/A ASN 569.A N VAL 565.A O no hydrogen 3.064 N/A PHE 570.A N ASN 566.A O no hydrogen 3.130 N/A ILE 571.A N ILE 567.A O no hydrogen 3.108 N/A SER 572.A N MET 568.A O no hydrogen 2.850 N/A SER 572.A OG MET 568.A O no hydrogen 2.732 N/A ALA 573.A N ASN 569.A O no hydrogen 3.050 N/A ARG 574.A N PHE 570.A O no hydrogen 3.124 N/A ARG 574.A NE ASP 578.A OD2 no hydrogen 3.171 N/A PHE 575.A N ILE 571.A O no hydrogen 2.925 N/A VAL 576.A N SER 572.A O no hydrogen 3.226 N/A ALA 577.A N ALA 573.A O no hydrogen 2.933 N/A ASP 578.A N ARG 574.A O no hydrogen 2.992 N/A SER 579.A OG TYR 584.A O no hydrogen 3.177 N/A PHE 582.A N SER 579.A O no hydrogen 3.016 N/A TYR 584.A N SER 579.A O no hydrogen 3.457 N/A TYR 584.A OH PHE 575.A O no hydrogen 2.749 N/A THR 585.A N PHE 652.A O no hydrogen 2.896 N/A ILE 588.A N LEU 647.A O no hydrogen 2.975 N/A MET 589.A N TYR 711.A O no hydrogen 2.947 N/A ILE 590.A N PHE 645.A O no hydrogen 3.106 N/A MET 591.A N ARG 709.A O no hydrogen 3.080 N/A ASN 593.A N SER 707.A O no hydrogen 2.824 N/A ASN 593.A ND2 SER 702.A O no hydrogen 2.797 N/A ASN 593.A ND2 LYS 703.A O no hydrogen 3.309 N/A ASN 593.A ND2 VAL 706.A O no hydrogen 2.730 N/A ILE 595.A N PRO 592.A O no hydrogen 3.273 N/A ASP 600.A N PHE 610.A O no hydrogen 2.817 N/A ARG 602.A NE ASP 600.A OD1 no hydrogen 3.161 N/A ARG 602.A NE ASP 600.A OD2 no hydrogen 3.371 N/A ARG 602.A NH2 ASP 600.A OD2 no hydrogen 2.967 N/A ARG 606.A N TYR 689.A O no hydrogen 2.933 N/A ARG 606.A NE ASP 662.A OD2 no hydrogen 3.317 N/A SER 608.A OG ASP 600.A O no hydrogen 3.531 N/A SER 608.A OG PHE 610.A O no hydrogen 3.218 N/A PHE 610.A N SER 608.A OG no hydrogen 3.019 N/A CYS 611.A N ILE 712.A O no hydrogen 3.044 N/A CYS 611.A SG PRO 598.A O no hydrogen 3.461 N/A SER 613.A OG THR 612.A O no hydrogen 2.853 N/A ILE 618.A N ASN 621.A O no hydrogen 2.759 N/A ASN 621.A N ILE 618.A O no hydrogen 3.140 N/A VAL 623.A N ARG 616.A O no hydrogen 3.142 N/A ILE 626.A N ILE 646.A O no hydrogen 2.826 N/A TYR 628.A N TYR 648.A O no hydrogen 3.195 N/A TYR 628.A OH ASP 680.A OD2 no hydrogen 3.229 N/A PHE 631.A N SER 627.A O no hydrogen 2.918 N/A SER 632.A N TYR 628.A O no hydrogen 2.806 N/A SER 632.A OG TYR 628.A O no hydrogen 2.898 N/A SER 632.A OG ASN 679.A O no hydrogen 3.117 N/A MET 633.A N ASN 629.A O no hydrogen 3.264 N/A MET 633.A N VAL 630.A O no hydrogen 3.187 N/A MET 634.A N PHE 631.A O no hydrogen 3.330 N/A ASP 639.A N ASP 636.A O no hydrogen 3.198 N/A ASP 639.A N ASP 638.A OD1 no hydrogen 2.565 N/A VAL 640.A N ASP 636.A O no hydrogen 3.332 N/A ILE 641.A N ILE 637.A O no hydrogen 2.884 N/A SER 642.A OG ASP 639.A O no hydrogen 2.552 N/A GLU 643.A N VAL 640.A O no hydrogen 3.287 N/A PHE 645.A N ILE 590.A O no hydrogen 3.069 N/A ILE 646.A N ARG 624.A O no hydrogen 2.848 N/A LEU 647.A N ILE 588.A O no hydrogen 2.745 N/A TYR 648.A N ILE 626.A O no hydrogen 3.240 N/A TYR 651.A N THR 36.A OG1 no hydrogen 3.257 N/A PHE 652.A N THR 585.A O no hydrogen 2.655 N/A ASN 653.A ND2 VAL 34.A O no hydrogen 3.197 N/A PHE 654.A N GLY 583.A O no hydrogen 3.147 N/A SER 655.A N ILE 684.A O no hydrogen 3.106 N/A ASP 657.A N PHE 686.A O no hydrogen 3.123 N/A MET 659.A N ILE 688.A O no hydrogen 2.793 N/A THR 660.A OG1 ASP 18.A OD2 no hydrogen 2.661 N/A THR 665.A OG1 ARG 606.A O no hydrogen 2.752 N/A ARG 666.A N TYR 687.A O no hydrogen 3.329 N/A ARG 666.A NH1 VAL 664.A O no hydrogen 3.429 N/A LYS 668.A N HIS 685.A O no hydrogen 3.031 N/A ILE 673.A N ASP 680.A O no hydrogen 2.905 N/A THR 675.A N GLY 678.A O no hydrogen 3.206 N/A THR 675.A OG1 GLY 678.A O no hydrogen 2.806 N/A ASP 676.A N ASP 676.A OD1 no hydrogen 2.430 N/A THR 677.A N THR 675.A OG1 no hydrogen 3.011 N/A GLY 678.A N THR 675.A OG1 no hydrogen 2.917 N/A ASN 679.A N SER 632.A O no hydrogen 3.137 N/A ASN 679.A ND2 PHE 631.A O no hydrogen 2.954 N/A ASN 679.A ND2 MET 634.A O no hydrogen 3.029 N/A ASP 680.A N ILE 673.A O no hydrogen 3.019 N/A ILE 681.A N TYR 628.A OH no hydrogen 3.095 N/A LYS 682.A N ILE 671.A O no hydrogen 3.227 N/A HIS 685.A NE2 ASP 657.A OD2 no hydrogen 3.180 N/A PHE 686.A N SER 655.A O no hydrogen 2.961 N/A TYR 687.A N ARG 666.A O no hydrogen 3.008 N/A ILE 688.A N ASP 657.A O no hydrogen 3.347 N/A TYR 689.A N THR 665.A OG1 no hydrogen 3.338 N/A GLU 691.A N GLY 604.A O no hydrogen 3.350 N/A LYS 697.A NZ GLU 701.A OE1 no hydrogen 2.839 N/A LEU 698.A N ASP 695.A OD1 no hydrogen 2.874 N/A ARG 699.A N ASP 695.A O no hydrogen 3.105 N/A TYR 700.A N LYS 696.A O no hydrogen 2.967 N/A GLU 701.A N LYS 697.A O no hydrogen 2.937 N/A SER 702.A N LEU 698.A O no hydrogen 3.049 N/A SER 702.A OG LEU 698.A O no hydrogen 2.971 N/A SER 702.A OG ARG 699.A O no hydrogen 2.888 N/A LYS 703.A N ARG 699.A O no hydrogen 3.232 N/A MET 704.A N TYR 700.A O no hydrogen 3.058 N/A ASN 705.A N GLU 701.A O no hydrogen 2.939 N/A ARG 709.A N MET 591.A O no hydrogen 2.949 N/A ARG 709.A NE ASN 593.A OD1 no hydrogen 3.187 N/A ARG 709.A NH1 THR 665.A O no hydrogen 3.560 N/A TYR 711.A N MET 589.A O no hydrogen 2.773 N/A ILE 712.A N PRO 609.A O no hydrogen 2.935 N/A THR 714.A N CYS 611.A O no hydrogen 2.892 N/A THR 714.A OG1 ASP 600.A OD2 no hydrogen 3.194 N/A THR 714.A OG1 CYS 611.A O no hydrogen 2.774 N/A CYS 717.A SG TYR 656.A OH no hydrogen 3.236 N/A LEU 721.A N ALA 23.A O no hydrogen 3.298 N/A SER 722.A OG ASP 723.A OD1 no hydrogen 2.951 N/A ASP 723.A N PRO 720.A O no hydrogen 3.135 N/A ARG 726.A N ASP 723.A O no hydrogen 3.461 N/A ALA 727.A N TYR 724.A O no hydrogen 3.278 N/A GLN 728.A N MET 725.A O no hydrogen 3.414 N/A GLN 728.A NE2 GLN 118.A OE1 no hydrogen 3.463 N/A HIS 729.A N ILE 133.A O no hydrogen 2.883 N/A TYR 731.A N SER 131.A O no hydrogen 2.885 N/A TYR 731.A OH SER 135.A OG no hydrogen 2.647 N/A SER 733.A N ASP 129.A O no hydrogen 2.838 N/A SER 733.A OG LEU 63.A O no hydrogen 2.696 N/A SER 733.A OG PRO 734.A O no hydrogen 3.300 N/A SER 735.A OG SER 737.A OG no hydrogen 2.768 N/A SER 737.A N SER 735.A OG no hydrogen 3.252 N/A SER 737.A OG SER 735.A OG no hydrogen 2.768 N/A VAL 739.A N HIS 184.A O no hydrogen 2.813 N/A ILE 741.A N TYR 186.A O no hydrogen 3.053 N/A ALA 745.A N ASP 743.A OD1 no hydrogen 3.377 N/A TYR 748.A N ARG 173.A O no hydrogen 2.772 N/A THR 749.A OG1 THR 749.A O no hydrogen 2.365 N/A