Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j7b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ALA 170.A O no hydrogen 2.911 N/A ASP 5.A N LYS 168.A O no hydrogen 2.901 N/A GLU 12.A N SER 10.A OG no hydrogen 3.281 N/A TRP 14.A N PHE 11.A O no hydrogen 3.166 N/A ALA 15.A N GLU 12.A O no hydrogen 3.349 N/A LYS 16.A N GLU 13.A O no hydrogen 3.485 N/A LYS 16.A NZ GLU 12.A OE2 no hydrogen 3.198 N/A SER 21.A N GLY 18.A O no hydrogen 3.248 N/A SER 21.A OG THR 23.A OG1 no hydrogen 3.178 N/A THR 23.A OG1 SER 21.A OG no hydrogen 3.178 N/A ALA 25.A N SER 21.A O no hydrogen 3.375 N/A LYS 26.A N THR 23.A O no hydrogen 3.302 N/A ASP 29.A N GLY 27.A O no hydrogen 3.074 N/A THR 30.A N ASP 29.A OD1 no hydrogen 2.842 N/A THR 31.A N GLN 701.A O no hydrogen 3.215 N/A THR 31.A OG1 ARG 703.A O no hydrogen 3.560 N/A TRP 33.A NE1 ILE 24.A O no hydrogen 2.285 N/A ASN 36.A N THR 32.A O no hydrogen 2.899 N/A LEU 37.A N TRP 33.A O no hydrogen 2.922 N/A LEU 37.A N ILE 34.A O no hydrogen 3.232 N/A HIS 38.A N TRP 35.A O no hydrogen 3.278 N/A HIS 38.A ND1 ILE 34.A O no hydrogen 2.958 N/A ALA 39.A N TRP 35.A O no hydrogen 3.228 N/A ALA 41.A N HIS 38.A O no hydrogen 3.433 N/A PHE 44.A N HIS 42.A O no hydrogen 3.053 N/A SER 46.A N ASP 43.A O no hydrogen 3.240 N/A SER 46.A OG ASP 43.A OD2 no hydrogen 3.274 N/A HIS 47.A N PHE 44.A O no hydrogen 3.217 N/A THR 48.A N PHE 44.A O no hydrogen 3.467 N/A ASP 50.A N THR 48.A OG1 no hydrogen 3.360 N/A ILE 54.A N ASP 50.A O no hydrogen 3.189 N/A SER 55.A N LEU 51.A O no hydrogen 2.917 N/A SER 55.A OG LEU 51.A O no hydrogen 2.766 N/A ARG 56.A N GLU 52.A O no hydrogen 2.924 N/A ARG 56.A NE PRO 171.A O no hydrogen 2.756 N/A ARG 56.A NH1 ASP 3.A OD2 no hydrogen 3.552 N/A ARG 56.A NH2 ASP 3.A OD2 no hydrogen 2.621 N/A ARG 56.A NH2 ALA 170.A O no hydrogen 3.284 N/A ARG 56.A NH2 PRO 171.A O no hydrogen 3.453 N/A LYS 57.A N GLU 53.A O no hydrogen 2.899 N/A VAL 58.A N ILE 54.A O no hydrogen 2.899 N/A PHE 59.A N SER 55.A O no hydrogen 2.932 N/A SER 60.A OG ARG 56.A O no hydrogen 3.123 N/A PHE 63.A N SER 60.A O no hydrogen 3.102 N/A GLN 65.A N ALA 61.A O no hydrogen 2.950 N/A LEU 66.A N HIS 62.A O no hydrogen 2.899 N/A SER 67.A N PHE 63.A O no hydrogen 2.894 N/A SER 67.A OG ALA 155.A O no hydrogen 3.209 N/A ILE 68.A N GLY 64.A O no hydrogen 2.926 N/A ILE 69.A N GLN 65.A O no hydrogen 2.943 N/A PHE 70.A N LEU 66.A O no hydrogen 2.878 N/A LEU 71.A N SER 67.A O no hydrogen 2.916 N/A TRP 72.A N ILE 68.A O no hydrogen 2.934 N/A LEU 73.A N ILE 69.A O no hydrogen 2.919 N/A SER 74.A N PHE 70.A O no hydrogen 2.872 N/A SER 74.A OG ALA 148.A O no hydrogen 2.945 N/A GLY 75.A N LEU 71.A O no hydrogen 2.936 N/A MET 76.A N TRP 72.A O no hydrogen 2.955 N/A TYR 77.A N LEU 73.A O no hydrogen 2.914 N/A PHE 78.A N SER 74.A O no hydrogen 2.895 N/A HIS 79.A N GLY 75.A O no hydrogen 2.955 N/A ALA 81.A N PHE 78.A O no hydrogen 3.062 N/A ARG 82.A N PHE 78.A O no hydrogen 3.280 N/A PHE 83.A N HIS 79.A O no hydrogen 3.147 N/A SER 84.A OG GLY 80.A O no hydrogen 2.313 N/A ASN 85.A ND2 GLY 97.A O no hydrogen 3.653 N/A ASN 85.A ND2 GLY 117.A O no hydrogen 3.457 N/A TYR 86.A N SER 84.A OG no hydrogen 3.378 N/A TYR 86.A OH ILE 138.A O no hydrogen 2.706 N/A TRP 89.A N ASN 85.A O no hydrogen 2.873 N/A LEU 90.A N TYR 86.A O no hydrogen 2.903 N/A SER 91.A N ALA 88.A O no hydrogen 3.334 N/A ASP 92.A N TRP 89.A O no hydrogen 3.154 N/A THR 94.A OG1 ASP 92.A OD1 no hydrogen 3.385 N/A GLY 97.A N VAL 116.A O no hydrogen 3.179 N/A SER 99.A N ASN 85.A OD1 no hydrogen 3.287 N/A SER 99.A OG ILE 123.A O no hydrogen 2.681 N/A VAL 103.A N ASN 113.A OD1 no hydrogen 3.290 N/A GLN 109.A NE2 TRP 104.A O no hydrogen 2.376 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 2.834 N/A LEU 112.A N GLN 109.A O no hydrogen 3.143 N/A ASN 113.A N GLU 110.A O no hydrogen 3.104 N/A ASN 113.A ND2 VAL 103.A O no hydrogen 3.123 N/A GLY 122.A N GLY 114.A O no hydrogen 3.151 N/A ILE 123.A N GLN 101.A O no hydrogen 2.908 N/A ILE 125.A N PRO 98.A O no hydrogen 3.027 N/A THR 126.A OG1 SER 374.A OG no hydrogen 3.360 N/A GLN 131.A N GLN 131.A OE1 no hydrogen 2.692 N/A GLN 131.A NE2 TYR 364.A O no hydrogen 3.245 N/A GLN 131.A NE2 ASP 368.A OD2 no hydrogen 3.360 N/A ILE 132.A N GLY 128.A O no hydrogen 3.472 N/A TRP 133.A N PHE 129.A O no hydrogen 2.912 N/A ARG 134.A N PHE 130.A O no hydrogen 2.911 N/A ARG 134.A NH1 LEU 90.A O no hydrogen 3.266 N/A ALA 135.A N GLN 131.A O no hydrogen 2.915 N/A SER 136.A N ILE 132.A O no hydrogen 3.183 N/A SER 136.A N TRP 133.A O no hydrogen 3.312 N/A SER 136.A OG ILE 132.A O no hydrogen 2.964 N/A GLY 137.A N ARG 134.A O no hydrogen 3.187 N/A ILE 138.A N TRP 133.A O no hydrogen 3.142 N/A THR 139.A N GLN 143.A OE1 no hydrogen 3.075 N/A SER 140.A N GLN 143.A OE1 no hydrogen 3.378 N/A TYR 145.A N GLU 141.A O no hydrogen 2.933 N/A CYS 146.A N LEU 142.A O no hydrogen 2.924 N/A CYS 146.A SG LEU 142.A O no hydrogen 3.286 N/A THR 147.A N GLN 143.A O no hydrogen 2.921 N/A THR 147.A OG1 GLN 143.A O no hydrogen 2.649 N/A ALA 148.A N LEU 144.A O no hydrogen 2.930 N/A ILE 149.A N TYR 145.A O no hydrogen 2.959 N/A GLY 150.A N CYS 146.A O no hydrogen 2.928 N/A ALA 151.A N THR 147.A O no hydrogen 2.908 N/A LEU 152.A N ALA 148.A O no hydrogen 2.955 N/A VAL 153.A N ILE 149.A O no hydrogen 2.973 N/A PHE 154.A N GLY 150.A O no hydrogen 2.906 N/A ALA 155.A N ALA 151.A O no hydrogen 2.911 N/A ALA 156.A N LEU 152.A O no hydrogen 3.007 N/A LEU 157.A N VAL 153.A O no hydrogen 2.928 N/A MET 158.A N PHE 154.A O no hydrogen 2.894 N/A LEU 159.A N ALA 155.A O no hydrogen 2.977 N/A PHE 160.A N ALA 156.A O no hydrogen 2.969 N/A ALA 161.A N LEU 157.A O no hydrogen 2.916 N/A GLY 162.A N MET 158.A O no hydrogen 2.920 N/A TRP 163.A N LEU 159.A O no hydrogen 2.998 N/A PHE 164.A N PHE 160.A O no hydrogen 2.892 N/A HIS 165.A N ALA 161.A O no hydrogen 2.951 N/A TYR 166.A N TRP 163.A O no hydrogen 3.378 N/A HIS 167.A N TRP 163.A O no hydrogen 2.965 N/A HIS 167.A ND1 ILE 7.A O no hydrogen 3.282 N/A LYS 168.A N PHE 164.A O no hydrogen 2.915 N/A LYS 168.A NZ ASP 5.A OD1 no hydrogen 3.313 N/A ALA 169.A N PHE 164.A O no hydrogen 3.241 N/A ALA 170.A N ASP 3.A O no hydrogen 3.306 N/A LYS 172.A N LEU 1.A O no hydrogen 2.593 N/A LEU 173.A N GLU 52.A OE1 no hydrogen 2.834 N/A TRP 175.A N LYS 172.A O no hydrogen 3.305 N/A PHE 176.A N LEU 173.A O no hydrogen 3.120 N/A GLN 177.A N LEU 173.A O no hydrogen 3.357 N/A GLN 177.A NE2 THR 331.A O no hydrogen 2.852 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.886 N/A SER 181.A OG HIS 185.A ND1 no hydrogen 3.156 N/A MET 182.A N ASP 178.A O no hydrogen 3.133 N/A LEU 183.A N VAL 179.A O no hydrogen 2.898 N/A ASN 184.A N GLU 180.A O no hydrogen 2.924 N/A ASN 184.A ND2 TYR 297.A O no hydrogen 2.922 N/A HIS 185.A N SER 181.A O no hydrogen 2.905 N/A HIS 185.A ND1 SER 181.A O no hydrogen 2.612 N/A HIS 186.A N MET 182.A O no hydrogen 2.896 N/A LEU 187.A N LEU 183.A O no hydrogen 2.932 N/A ALA 188.A N ASN 184.A O no hydrogen 2.913 N/A GLY 189.A N HIS 185.A O no hydrogen 2.903 N/A LEU 190.A N HIS 185.A O no hydrogen 3.297 N/A GLY 192.A N LEU 187.A O no hydrogen 3.349 N/A SER 195.A N LEU 191.A O no hydrogen 2.910 N/A SER 195.A OG HIS 283.A O no hydrogen 3.165 N/A LEU 196.A N GLY 192.A O no hydrogen 2.917 N/A SER 197.A N LEU 193.A O no hydrogen 2.888 N/A SER 197.A OG LEU 193.A O no hydrogen 2.570 N/A TRP 198.A N GLY 194.A O no hydrogen 2.934 N/A ALA 199.A N SER 195.A O no hydrogen 2.886 N/A GLY 200.A N LEU 196.A O no hydrogen 2.924 N/A HIS 201.A N SER 197.A O no hydrogen 2.932 N/A GLN 202.A N TRP 198.A O no hydrogen 2.890 N/A VAL 203.A N ALA 199.A O no hydrogen 2.902 N/A HIS 204.A N GLY 200.A O no hydrogen 2.948 N/A VAL 205.A N HIS 201.A O no hydrogen 2.874 N/A SER 206.A N HIS 201.A O no hydrogen 3.446 N/A LEU 207.A N GLN 202.A O no hydrogen 3.087 N/A ILE 209.A N VAL 205.A O no hydrogen 3.449 N/A ASN 210.A N SER 206.A O no hydrogen 2.903 N/A ASN 210.A ND2 ARG 134.A O no hydrogen 3.572 N/A ASN 210.A ND2 ALA 135.A O no hydrogen 3.523 N/A ASN 210.A ND2 SER 206.A O no hydrogen 2.934 N/A GLN 211.A N LEU 207.A O no hydrogen 2.931 N/A GLN 211.A NE2 GLN 211.A O no hydrogen 3.534 N/A PHE 212.A N PRO 208.A O no hydrogen 2.918 N/A LEU 213.A N ILE 209.A O no hydrogen 2.911 N/A ASN 214.A N ASN 210.A O no hydrogen 2.877 N/A ALA 215.A N GLN 211.A O no hydrogen 2.934 N/A GLY 216.A N LEU 213.A O no hydrogen 3.025 N/A VAL 217.A N PHE 212.A O no hydrogen 3.371 N/A LYS 220.A N ASP 218.A OD1 no hydrogen 3.425 N/A GLU 221.A N ASP 218.A O no hydrogen 2.911 N/A ILE 222.A N PRO 219.A O no hydrogen 3.466 N/A GLU 227.A N LEU 224.A O no hydrogen 2.930 N/A PHE 228.A N PRO 225.A O no hydrogen 3.335 N/A ILE 229.A N HIS 226.A O no hydrogen 3.346 N/A LEU 230.A N HIS 226.A O no hydrogen 3.245 N/A ASN 231.A N GLU 227.A O no hydrogen 3.176 N/A ARG 232.A NH1 PHE 242.A O no hydrogen 2.586 N/A ASP 233.A N ASN 231.A OD1 no hydrogen 3.293 N/A LEU 234.A N ASN 231.A O no hydrogen 3.349 N/A ALA 236.A N ARG 232.A O no hydrogen 2.897 N/A GLN 237.A N ASP 233.A O no hydrogen 2.883 N/A LEU 238.A N LEU 234.A O no hydrogen 2.920 N/A TYR 239.A N LEU 235.A O no hydrogen 2.444 N/A SER 241.A OG GLU 259.A OE1 no hydrogen 3.070 N/A PHE 242.A N TYR 239.A O no hydrogen 3.138 N/A ALA 243.A N PRO 240.A O no hydrogen 3.127 N/A GLU 244.A N SER 241.A O no hydrogen 3.300 N/A GLY 245.A N PHE 242.A O no hydrogen 3.215 N/A THR 247.A OG1 GLU 244.A O no hydrogen 3.298 N/A PHE 250.A N ALA 246.A O no hydrogen 3.380 N/A THR 251.A N THR 247.A O no hydrogen 3.100 N/A THR 251.A OG1 THR 247.A O no hydrogen 2.936 N/A THR 251.A OG1 PRO 248.A O no hydrogen 3.337 N/A LEU 252.A N PHE 249.A O no hydrogen 3.455 N/A ASN 253.A N PRO 248.A O no hydrogen 2.809 N/A TRP 254.A NE1 PHE 249.A O no hydrogen 3.105 N/A LYS 256.A N ASN 253.A O no hydrogen 3.310 N/A LYS 256.A NZ GLU 244.A OE2 no hydrogen 2.437 N/A TYR 257.A N TRP 254.A O no hydrogen 3.232 N/A TYR 257.A OH GLY 245.A O no hydrogen 2.744 N/A SER 258.A N SER 255.A O no hydrogen 3.414 N/A SER 258.A OG SER 255.A O no hydrogen 3.191 N/A THR 262.A OG1 THR 277.A OG1 no hydrogen 2.528 N/A THR 262.A OG1 ASP 278.A OD1 no hydrogen 2.529 N/A ARG 264.A N ASP 278.A OD1 no hydrogen 3.337 N/A GLY 265.A N ASP 278.A OD2 no hydrogen 2.937 N/A ASP 268.A N GLY 273.A O no hydrogen 2.491 N/A GLY 272.A N ASP 268.A O no hydrogen 2.632 N/A GLY 273.A N THR 271.A OG1 no hydrogen 3.374 N/A LEU 274.A N PRO 360.A O no hydrogen 2.938 N/A THR 277.A OG1 THR 262.A OG1 no hydrogen 2.528 N/A ILE 279.A N TRP 275.A O no hydrogen 3.288 N/A ALA 280.A N LEU 276.A O no hydrogen 2.915 N/A HIS 281.A N THR 277.A O no hydrogen 2.940 N/A HIS 282.A N ASP 278.A O no hydrogen 2.870 N/A HIS 283.A N ILE 279.A O no hydrogen 2.898 N/A HIS 283.A ND1 ILE 279.A O no hydrogen 3.001 N/A LEU 284.A N ALA 280.A O no hydrogen 2.944 N/A ALA 285.A N HIS 281.A O no hydrogen 2.953 N/A ILE 286.A N HIS 282.A O no hydrogen 2.889 N/A ALA 287.A N HIS 283.A O no hydrogen 2.878 N/A ILE 288.A N LEU 284.A O no hydrogen 2.995 N/A LEU 289.A N ALA 285.A O no hydrogen 2.932 N/A PHE 290.A N ILE 286.A O no hydrogen 2.895 N/A LEU 291.A N ALA 287.A O no hydrogen 2.899 N/A ILE 292.A N ILE 288.A O no hydrogen 2.975 N/A ALA 293.A N LEU 289.A O no hydrogen 3.054 N/A HIS 295.A ND1 LEU 291.A O no hydrogen 3.210 N/A ARG 298.A N HIS 305.A O no hydrogen 2.641 N/A GLY 302.A N THR 299.A O no hydrogen 3.204 N/A ILE 303.A N TRP 301.A O no hydrogen 2.946 N/A HIS 305.A N MET 296.A O no hydrogen 2.674 N/A ILE 307.A N GLU 180.A OE2 no hydrogen 3.414 N/A ILE 310.A N GLY 306.A O no hydrogen 2.939 N/A LEU 311.A N ILE 307.A O no hydrogen 2.912 N/A GLU 312.A N LYS 308.A O no hydrogen 2.922 N/A HIS 314.A N LEU 311.A O no hydrogen 3.429 N/A HIS 314.A ND1 ILE 310.A O no hydrogen 3.063 N/A GLY 316.A N THR 319.A OG1 no hydrogen 3.091 N/A THR 319.A N GLY 316.A O no hydrogen 3.168 N/A THR 319.A OG1 GLY 316.A O no hydrogen 3.518 N/A GLY 320.A N GLY 316.A O no hydrogen 2.963 N/A GLN 321.A N ASP 410.A OD2 no hydrogen 2.772 N/A HIS 323.A N HIS 314.A O no hydrogen 3.229 N/A LEU 326.A N HIS 323.A O no hydrogen 3.485 N/A GLU 328.A N GLU 328.A OE1 no hydrogen 2.769 N/A LEU 330.A N LEU 326.A O no hydrogen 3.280 N/A THR 331.A N TYR 327.A O no hydrogen 3.281 N/A THR 331.A OG1 TYR 327.A O no hydrogen 2.514 N/A THR 332.A N ILE 329.A O no hydrogen 3.419 N/A THR 332.A OG1 GLU 328.A O no hydrogen 2.611 N/A SER 333.A N ILE 329.A O no hydrogen 3.253 N/A SER 333.A OG ASP 401.A OD2 no hydrogen 2.454 N/A TRP 334.A NE1 SER 55.A OG no hydrogen 3.243 N/A HIS 335.A ND1 HIS 393.A ND1 no hydrogen 3.223 N/A LEU 338.A N TRP 334.A O no hydrogen 3.205 N/A SER 339.A N HIS 335.A O no hydrogen 2.903 N/A SER 339.A OG ALA 390.A O no hydrogen 2.490 N/A LEU 340.A N ALA 336.A O no hydrogen 2.977 N/A ASN 341.A N GLN 337.A O no hydrogen 2.915 N/A LEU 342.A N LEU 338.A O no hydrogen 2.867 N/A ALA 343.A N SER 339.A O no hydrogen 2.978 N/A MET 344.A N LEU 340.A O no hydrogen 2.998 N/A LEU 345.A N ASN 341.A O no hydrogen 2.869 N/A GLY 346.A N LEU 342.A O no hydrogen 2.917 N/A SER 347.A N ALA 343.A O no hydrogen 2.997 N/A SER 347.A OG ALA 343.A O no hydrogen 3.072 N/A LEU 348.A N MET 344.A O no hydrogen 2.913 N/A THR 349.A N LEU 345.A O no hydrogen 2.872 N/A THR 349.A OG1 LEU 345.A O no hydrogen 2.456 N/A ILE 350.A N GLY 346.A O no hydrogen 2.992 N/A ILE 351.A N SER 347.A O no hydrogen 2.950 N/A VAL 352.A N LEU 348.A O no hydrogen 2.876 N/A ALA 353.A N THR 349.A O no hydrogen 2.928 N/A HIS 354.A N ILE 350.A O no hydrogen 2.958 N/A HIS 355.A N ILE 351.A O no hydrogen 2.899 N/A MET 356.A N VAL 352.A O no hydrogen 2.944 N/A SER 358.A OG HIS 354.A O no hydrogen 3.479 N/A TYR 364.A N THR 271.A O no hydrogen 3.089 N/A ASP 368.A N LEU 365.A O no hydrogen 3.268 N/A TYR 369.A OH VAL 507.A O no hydrogen 3.275 N/A TYR 369.A OH GLY 606.A O no hydrogen 3.197 N/A THR 371.A OG1 ASP 368.A OD2 no hydrogen 2.719 N/A GLN 372.A N ASP 368.A O no hydrogen 3.268 N/A LEU 373.A N TYR 369.A O no hydrogen 2.963 N/A SER 374.A N ALA 370.A O no hydrogen 2.922 N/A SER 374.A OG THR 126.A OG1 no hydrogen 3.360 N/A SER 374.A OG ALA 370.A O no hydrogen 2.897 N/A LEU 375.A N THR 371.A O no hydrogen 2.934 N/A PHE 376.A N GLN 372.A O no hydrogen 2.987 N/A THR 377.A N LEU 373.A O no hydrogen 3.005 N/A THR 377.A OG1 LEU 373.A O no hydrogen 2.829 N/A HIS 378.A N SER 374.A O no hydrogen 2.928 N/A HIS 379.A N LEU 375.A O no hydrogen 2.975 N/A MET 380.A N PHE 376.A O no hydrogen 3.008 N/A TRP 381.A N THR 377.A O no hydrogen 2.999 N/A ILE 382.A N HIS 378.A O no hydrogen 3.003 N/A GLY 383.A N HIS 379.A O no hydrogen 2.951 N/A GLY 384.A N MET 380.A O no hydrogen 2.982 N/A PHE 385.A N TRP 381.A O no hydrogen 3.011 N/A LEU 386.A N ILE 382.A O no hydrogen 3.002 N/A ILE 387.A N GLY 383.A O no hydrogen 2.948 N/A VAL 388.A N GLY 384.A O no hydrogen 3.014 N/A GLY 389.A N PHE 385.A O no hydrogen 2.993 N/A ALA 390.A N LEU 386.A O no hydrogen 2.998 N/A ALA 391.A N ILE 387.A O no hydrogen 3.509 N/A ALA 392.A N VAL 388.A O no hydrogen 3.041 N/A HIS 393.A N GLY 389.A O no hydrogen 2.964 N/A HIS 393.A ND1 HIS 335.A ND1 no hydrogen 3.223 N/A ALA 394.A N ALA 390.A O no hydrogen 2.939 N/A ALA 395.A N ALA 391.A O no hydrogen 2.950 N/A ILE 396.A N ALA 392.A O no hydrogen 2.991 N/A PHE 397.A N HIS 393.A O no hydrogen 2.921 N/A MET 398.A N ALA 394.A O no hydrogen 2.945 N/A VAL 399.A N ALA 395.A O no hydrogen 2.939 N/A ARG 400.A N ILE 396.A O no hydrogen 2.949 N/A ARG 400.A NH1 ASP 43.A OD1 no hydrogen 3.313 N/A ARG 400.A NH1 ASP 43.A OD2 no hydrogen 3.557 N/A ARG 400.A NH2 ASP 43.A OD2 no hydrogen 3.083 N/A ASP 401.A N PHE 397.A O no hydrogen 2.911 N/A THR 405.A N ASP 403.A OD1 no hydrogen 3.369 N/A THR 405.A OG1 ASP 403.A OD1 no hydrogen 3.379 N/A ASN 406.A ND2 ASP 403.A OD2 no hydrogen 2.919 N/A ARG 407.A N ASP 403.A O no hydrogen 2.859 N/A TYR 408.A OH ASP 410.A OD1 no hydrogen 3.006 N/A TYR 408.A OH ASP 413.A OD2 no hydrogen 3.364 N/A ASN 409.A ND2 GLY 322.A O no hydrogen 3.429 N/A ASN 409.A ND2 LYS 324.A O no hydrogen 2.928 N/A LEU 412.A N ASN 409.A OD1 no hydrogen 3.426 N/A ASP 413.A N ASN 409.A O no hydrogen 3.218 N/A ARG 414.A N ASP 410.A O no hydrogen 3.002 N/A ARG 414.A NE PHE 318.A O no hydrogen 2.918 N/A ARG 414.A NH2 PHE 318.A O no hydrogen 2.672 N/A VAL 415.A N LEU 411.A O no hydrogen 3.281 N/A LEU 416.A N LEU 412.A O no hydrogen 3.335 N/A ARG 417.A N ARG 414.A O no hydrogen 3.346 N/A ARG 417.A NE ASP 413.A OD2 no hydrogen 3.386 N/A HIS 418.A N VAL 415.A O no hydrogen 3.446 N/A HIS 418.A ND1 ARG 414.A O no hydrogen 2.736 N/A ARG 419.A NH1 LEU 541.A O no hydrogen 3.396 N/A ILE 423.A N ARG 419.A O no hydrogen 2.950 N/A SER 424.A N ASP 420.A O no hydrogen 2.902 N/A SER 424.A OG ASP 420.A O no hydrogen 2.904 N/A SER 424.A OG ALA 421.A O no hydrogen 2.880 N/A HIS 425.A N ALA 421.A O no hydrogen 2.913 N/A HIS 425.A ND1 ALA 421.A O no hydrogen 2.541 N/A LEU 426.A N ILE 422.A O no hydrogen 2.945 N/A ASN 427.A N ILE 423.A O no hydrogen 2.886 N/A TRP 428.A N SER 424.A O no hydrogen 2.941 N/A VAL 429.A N HIS 425.A O no hydrogen 2.931 N/A CYS 430.A N LEU 426.A O no hydrogen 2.908 N/A CYS 430.A SG LEU 426.A O no hydrogen 3.174 N/A ILE 431.A N ASN 427.A O no hydrogen 2.951 N/A PHE 432.A N TRP 428.A O no hydrogen 2.902 N/A LEU 433.A N VAL 429.A O no hydrogen 2.909 N/A GLY 434.A N CYS 430.A O no hydrogen 2.913 N/A PHE 435.A N ILE 431.A O no hydrogen 2.917 N/A HIS 436.A N PHE 432.A O no hydrogen 2.934 N/A HIS 436.A ND1 PHE 432.A O no hydrogen 3.214 N/A SER 437.A OG LEU 433.A O no hydrogen 2.535 N/A PHE 438.A N GLY 434.A O no hydrogen 3.242 N/A GLY 439.A N PHE 435.A O no hydrogen 3.196 N/A TYR 441.A N PHE 438.A O no hydrogen 3.094 N/A ILE 442.A N PHE 438.A O no hydrogen 3.441 N/A HIS 443.A N GLY 439.A O no hydrogen 3.082 N/A HIS 443.A NE2 ASP 455.A O no hydrogen 2.807 N/A ASN 444.A N LEU 440.A O no hydrogen 3.214 N/A ASN 444.A ND2 PHE 457.A O no hydrogen 3.243 N/A ASN 444.A ND2 ILE 627.A O no hydrogen 3.121 N/A ASP 445.A N TYR 441.A O no hydrogen 3.052 N/A THR 446.A N ILE 442.A O no hydrogen 2.909 N/A THR 446.A OG1 ILE 442.A O no hydrogen 2.713 N/A MET 447.A N HIS 443.A O no hydrogen 2.934 N/A SER 448.A N ASN 444.A O no hydrogen 2.895 N/A ALA 449.A N ASP 445.A O no hydrogen 2.906 N/A LEU 450.A N THR 446.A O no hydrogen 2.918 N/A GLY 451.A N SER 448.A O no hydrogen 3.294 N/A ARG 452.A N MET 447.A O no hydrogen 2.871 N/A ARG 452.A NE ASP 455.A OD2 no hydrogen 3.194 N/A ARG 452.A NH2 ASP 455.A OD2 no hydrogen 3.451 N/A GLN 454.A N GLN 454.A OE1 no hydrogen 2.984 N/A ASP 455.A N ARG 452.A O no hydrogen 3.296 N/A PHE 457.A N ASN 444.A OD1 no hydrogen 2.844 N/A SER 458.A OG THR 460.A OG1 no hydrogen 3.321 N/A THR 460.A OG1 SER 458.A OG no hydrogen 3.321 N/A GLN 465.A NE2 GLN 463.A OE1 no hydrogen 3.079 N/A VAL 467.A N GLN 465.A O no hydrogen 2.973 N/A GLN 470.A N PRO 466.A O no hydrogen 3.274 N/A GLN 470.A NE2 GLN 465.A OE1 no hydrogen 3.400 N/A GLN 470.A NE2 LEU 514.A O no hydrogen 3.258 N/A TRP 471.A N VAL 467.A O no hydrogen 3.177 N/A ILE 472.A N PHE 468.A O no hydrogen 3.205 N/A GLN 473.A N ALA 469.A O no hydrogen 2.935 N/A GLN 473.A NE2 ILE 512.A O no hydrogen 3.366 N/A ASN 474.A N GLN 470.A O no hydrogen 2.892 N/A ASN 474.A ND2 GLN 470.A O no hydrogen 3.316 N/A THR 475.A N TRP 471.A O no hydrogen 2.896 N/A THR 475.A OG1 TRP 471.A O no hydrogen 3.034 N/A HIS 476.A N ILE 472.A O no hydrogen 2.910 N/A ALA 477.A N GLN 473.A O no hydrogen 2.908 N/A LEU 478.A N ASN 474.A O no hydrogen 3.244 N/A LEU 478.A N THR 475.A O no hydrogen 3.306 N/A ALA 479.A N HIS 476.A O no hydrogen 3.331 N/A GLY 481.A N ALA 484.A O no hydrogen 3.315 N/A VAL 482.A N ALA 479.A O no hydrogen 3.351 N/A THR 483.A N ALA 479.A O no hydrogen 3.119 N/A ALA 484.A N ALA 479.A O no hydrogen 2.980 N/A GLU 487.A N ALA 484.A O no hydrogen 3.112 N/A THR 488.A N ARG 264.A O no hydrogen 3.309 N/A ALA 489.A N ARG 264.A O no hydrogen 3.300 N/A SER 490.A OG HIS 476.A O no hydrogen 3.000 N/A SER 492.A OG SER 358.A O no hydrogen 3.153 N/A SER 492.A OG THR 494.A OG1 no hydrogen 2.927 N/A THR 494.A N SER 492.A OG no hydrogen 3.188 N/A THR 494.A OG1 SER 492.A OG no hydrogen 2.927 N/A TRP 495.A NE1 THR 491.A OG1 no hydrogen 2.844 N/A GLU 499.A N GLU 499.A OE1 no hydrogen 2.909 N/A VAL 501.A N LEU 509.A O no hydrogen 3.470 N/A VAL 503.A N LYS 506.A O no hydrogen 2.993 N/A LYS 506.A N VAL 503.A O no hydrogen 3.255 N/A LYS 506.A NZ THR 367.A O no hydrogen 2.969 N/A VAL 507.A N GLY 606.A O no hydrogen 3.191 N/A ALA 508.A N VAL 501.A O no hydrogen 3.051 N/A GLY 515.A N ASP 518.A OD1 no hydrogen 2.782 N/A THR 516.A OG1 ASP 459.A OD1 no hydrogen 2.677 N/A LEU 520.A N THR 516.A O no hydrogen 3.329 N/A VAL 521.A N ALA 517.A O no hydrogen 2.955 N/A HIS 522.A N ASP 518.A O no hydrogen 2.882 N/A HIS 522.A ND1 ASP 518.A O no hydrogen 2.543 N/A HIS 523.A N PHE 519.A O no hydrogen 3.007 N/A HIS 523.A ND1 PHE 519.A O no hydrogen 2.740 N/A ILE 524.A N LEU 520.A O no hydrogen 2.912 N/A HIS 525.A N VAL 521.A O no hydrogen 2.933 N/A HIS 525.A NE2 HIS 595.A ND1 no hydrogen 3.119 N/A ALA 526.A N HIS 522.A O no hydrogen 2.953 N/A PHE 527.A N HIS 523.A O no hydrogen 2.914 N/A THR 528.A N ILE 524.A O no hydrogen 2.980 N/A THR 528.A OG1 ILE 524.A O no hydrogen 3.041 N/A THR 528.A OG1 HIS 525.A O no hydrogen 2.707 N/A ILE 529.A N HIS 525.A O no hydrogen 2.962 N/A HIS 530.A N ALA 526.A O no hydrogen 2.900 N/A HIS 530.A ND1 ALA 526.A O no hydrogen 3.083 N/A VAL 531.A N PHE 527.A O no hydrogen 2.981 N/A THR 532.A N THR 528.A O no hydrogen 3.011 N/A THR 532.A OG1 THR 528.A O no hydrogen 2.882 N/A VAL 533.A N ILE 529.A O no hydrogen 2.929 N/A LEU 534.A N HIS 530.A O no hydrogen 2.886 N/A ILE 535.A N VAL 531.A O no hydrogen 2.977 N/A LEU 536.A N THR 532.A O no hydrogen 3.003 N/A LEU 537.A N VAL 533.A O no hydrogen 2.883 N/A LYS 538.A N LEU 534.A O no hydrogen 2.907 N/A GLY 539.A N ILE 535.A O no hydrogen 2.969 N/A VAL 540.A N LEU 536.A O no hydrogen 2.942 N/A LEU 541.A N LEU 537.A O no hydrogen 2.900 N/A PHE 542.A N LYS 538.A O no hydrogen 3.314 N/A ARG 544.A NH1 MET 398.A O no hydrogen 3.320 N/A SER 546.A N ILE 549.A O no hydrogen 3.375 N/A LEU 548.A N SER 546.A OG no hydrogen 3.340 N/A ILE 549.A N SER 546.A OG no hydrogen 3.324 N/A LYS 552.A NZ PHE 542.A O no hydrogen 2.747 N/A LYS 552.A NZ VAL 572.A O no hydrogen 3.387 N/A ASN 554.A N ASP 551.A O no hydrogen 3.208 N/A GLY 556.A N ALA 553.A O no hydrogen 3.401 N/A ASP 562.A N THR 569.A OG1 no hydrogen 3.347 N/A ARG 566.A NH1 ASP 562.A OD2 no hydrogen 3.074 N/A ARG 566.A NH2 ASP 562.A OD2 no hydrogen 3.257 N/A GLY 568.A N GLY 565.A O no hydrogen 2.901 N/A THR 569.A OG1 GLY 563.A O no hydrogen 2.417 N/A SER 573.A OG PHE 559.A O no hydrogen 3.203 N/A SER 573.A OG ASP 576.A OD2 no hydrogen 2.404 N/A HIS 577.A N ALA 574.A O no hydrogen 3.255 N/A HIS 577.A ND1 SER 573.A O no hydrogen 2.655 N/A VAL 578.A N ALA 574.A O no hydrogen 3.456 N/A PHE 579.A N TRP 575.A O no hydrogen 2.973 N/A LEU 580.A N ASP 576.A O no hydrogen 2.885 N/A GLY 581.A N HIS 577.A O no hydrogen 2.878 N/A LEU 582.A N VAL 578.A O no hydrogen 2.998 N/A MET 585.A N GLY 581.A O no hydrogen 2.946 N/A TYR 586.A N LEU 582.A O no hydrogen 2.950 N/A ASN 587.A N PHE 583.A O no hydrogen 2.927 N/A ALA 588.A N TRP 584.A O no hydrogen 2.928 N/A ILE 589.A N MET 585.A O no hydrogen 2.965 N/A SER 590.A N TYR 586.A O no hydrogen 2.930 N/A SER 590.A OG TYR 586.A O no hydrogen 2.774 N/A VAL 591.A N ASN 587.A O no hydrogen 2.990 N/A VAL 592.A N ALA 588.A O no hydrogen 2.953 N/A ILE 593.A N ILE 589.A O no hydrogen 2.921 N/A PHE 594.A N SER 590.A O no hydrogen 2.958 N/A HIS 595.A N VAL 591.A O no hydrogen 2.959 N/A HIS 595.A ND1 HIS 525.A NE2 no hydrogen 3.119 N/A PHE 596.A N VAL 592.A O no hydrogen 2.941 N/A SER 597.A N ILE 593.A O no hydrogen 2.922 N/A TRP 598.A N PHE 594.A O no hydrogen 2.979 N/A LYS 599.A N HIS 595.A O no hydrogen 2.929 N/A LYS 599.A NZ PRO 513.A O no hydrogen 3.039 N/A LYS 599.A NZ ASP 518.A OD2 no hydrogen 3.348 N/A LYS 599.A NZ ASP 603.A OD2 no hydrogen 3.003 N/A MET 600.A N PHE 596.A O no hydrogen 2.951 N/A GLN 601.A N SER 597.A O no hydrogen 2.957 N/A GLN 601.A NE2 SER 597.A OG no hydrogen 3.268 N/A GLN 601.A NE2 GLN 640.A OE1 no hydrogen 3.240 N/A SER 602.A N TRP 598.A O no hydrogen 2.914 N/A SER 602.A N LYS 599.A O no hydrogen 3.321 N/A SER 602.A OG ASP 603.A OD1 no hydrogen 3.290 N/A ASP 603.A N LYS 599.A O no hydrogen 2.929 N/A VAL 604.A N MET 600.A O no hydrogen 3.212 N/A TRP 605.A N MET 600.A O no hydrogen 2.922 N/A SER 607.A N THR 615.A O no hydrogen 3.096 N/A ILE 608.A N GLY 505.A O no hydrogen 3.080 N/A GLY 612.A N SER 609.A O no hydrogen 3.194 N/A THR 615.A N SER 607.A O no hydrogen 2.950 N/A HIS 616.A ND1 TRP 605.A O no hydrogen 2.949 N/A THR 618.A OG1 ASN 621.A OD1 no hydrogen 3.014 N/A PHE 622.A N SER 602.A OG no hydrogen 3.106 N/A SER 625.A N ASN 621.A O no hydrogen 3.167 N/A SER 625.A OG ASN 621.A O no hydrogen 3.175 N/A SER 625.A OG ASP 635.A OD2 no hydrogen 3.265 N/A SER 626.A N PHE 622.A O no hydrogen 3.343 N/A SER 626.A OG PHE 622.A O no hydrogen 2.561 N/A ILE 629.A N ASP 445.A OD2 no hydrogen 2.847 N/A GLY 631.A N THR 628.A OG1 no hydrogen 3.312 N/A TRP 632.A N THR 628.A O no hydrogen 3.233 N/A TRP 632.A NE1 SER 626.A O no hydrogen 2.789 N/A LEU 633.A N ILE 629.A O no hydrogen 2.924 N/A ARG 634.A N ASN 630.A O no hydrogen 2.894 N/A ARG 634.A NE ASP 635.A OD1 no hydrogen 3.398 N/A ARG 634.A NE ASP 635.A OD2 no hydrogen 3.457 N/A ARG 634.A NH2 ASP 635.A OD2 no hydrogen 3.170 N/A ASP 635.A N GLY 631.A O no hydrogen 2.890 N/A LEU 637.A N TRP 632.A O no hydrogen 3.193 N/A TRP 638.A N LEU 633.A O no hydrogen 3.034 N/A ALA 639.A N ARG 634.A O no hydrogen 3.079 N/A GLN 640.A N PHE 636.A O no hydrogen 3.377 N/A SER 642.A OG ALA 639.A O no hydrogen 3.014 N/A ILE 645.A N ALA 641.A O no hydrogen 3.333 N/A SER 647.A OG VAL 644.A O no hydrogen 2.839 N/A SER 647.A OG LEU 652.A O no hydrogen 3.307 N/A SER 650.A N SER 647.A O no hydrogen 3.436 N/A SER 650.A OG SER 647.A O no hydrogen 2.956 N/A LEU 652.A N SER 650.A OG no hydrogen 3.374 N/A SER 653.A N SER 650.A O no hydrogen 3.399 N/A SER 653.A OG SER 650.A O no hydrogen 2.853 N/A TYR 655.A N LEU 652.A O no hydrogen 3.236 N/A LEU 657.A N SER 653.A O no hydrogen 2.918 N/A PHE 658.A N ALA 654.A O no hydrogen 2.896 N/A PHE 659.A N TYR 655.A O no hydrogen 2.895 N/A GLY 661.A N LEU 657.A O no hydrogen 2.934 N/A ALA 662.A N PHE 658.A O no hydrogen 2.853 N/A HIS 663.A N PHE 659.A O no hydrogen 2.959 N/A PHE 664.A N LEU 660.A O no hydrogen 2.919 N/A VAL 665.A N GLY 661.A O no hydrogen 2.922 N/A TRP 666.A N ALA 662.A O no hydrogen 2.894 N/A ALA 667.A N HIS 663.A O no hydrogen 2.950 N/A PHE 668.A N PHE 664.A O no hydrogen 2.885 N/A SER 669.A N TRP 666.A O no hydrogen 3.348 N/A SER 669.A OG TRP 666.A O no hydrogen 2.856 N/A LEU 670.A N ALA 667.A O no hydrogen 3.440 N/A PHE 672.A N SER 669.A O no hydrogen 3.188 N/A LEU 673.A N SER 669.A O no hydrogen 3.395 N/A PHE 674.A N LEU 670.A O no hydrogen 3.089 N/A SER 675.A OG MET 671.A O no hydrogen 2.462 N/A ARG 677.A NH2 ALA 704.A O no hydrogen 3.287 N/A TRP 680.A NE1 SER 675.A OG no hydrogen 3.285 N/A GLN 681.A N ARG 677.A O no hydrogen 2.909 N/A GLN 681.A NE2 GLN 681.A O no hydrogen 3.100 N/A GLU 682.A N GLY 678.A O no hydrogen 2.920 N/A LEU 683.A N TYR 679.A O no hydrogen 2.901 N/A ILE 684.A N TRP 680.A O no hydrogen 3.137 N/A SER 686.A N LEU 683.A O no hydrogen 3.238 N/A ILE 687.A N LEU 683.A O no hydrogen 3.449 N/A VAL 688.A N ILE 684.A O no hydrogen 2.832 N/A TRP 689.A N GLU 685.A O no hydrogen 3.300 N/A TRP 689.A N SER 686.A O no hydrogen 3.255 N/A HIS 691.A ND1 ILE 687.A O no hydrogen 2.856 N/A ASN 692.A N VAL 688.A O no hydrogen 3.004 N/A ASN 692.A ND2 VAL 688.A O no hydrogen 3.543 N/A LYS 693.A N TRP 689.A O no hydrogen 3.101 N/A LEU 694.A N ALA 690.A O no hydrogen 3.326 N/A LYS 695.A N ASN 692.A O no hydrogen 3.406 N/A VAL 696.A N HIS 691.A O no hydrogen 2.826 N/A GLN 701.A N ASP 29.A O no hydrogen 3.474 N/A ARG 703.A N THR 31.A OG1 no hydrogen 2.973 N/A ALA 704.A N GLN 681.A OE1 no hydrogen 3.038 N/A GLN 709.A N SER 706.A OG no hydrogen 3.186 N/A GLY 710.A N SER 706.A O no hydrogen 2.885 N/A ARG 711.A N ILE 707.A O no hydrogen 2.967 N/A ALA 712.A N ILE 708.A O no hydrogen 2.923 N/A VAL 713.A N GLN 709.A O no hydrogen 2.899 N/A GLY 714.A N GLY 710.A O no hydrogen 2.941 N/A VAL 715.A N ARG 711.A O no hydrogen 2.962 N/A THR 716.A N ALA 712.A O no hydrogen 2.924 N/A THR 716.A OG1 ALA 712.A O no hydrogen 2.659 N/A HIS 717.A N VAL 713.A O no hydrogen 2.966 N/A HIS 717.A ND1 VAL 713.A O no hydrogen 2.824 N/A TYR 718.A N GLY 714.A O no hydrogen 2.938 N/A LEU 719.A N VAL 715.A O no hydrogen 2.964 N/A LEU 720.A N THR 716.A O no hydrogen 2.939 N/A GLY 721.A N HIS 717.A O no hydrogen 2.920 N/A GLY 722.A N TYR 718.A O no hydrogen 3.022 N/A ILE 723.A N LEU 719.A O no hydrogen 2.955 N/A ALA 724.A N LEU 720.A O no hydrogen 2.919 N/A THR 725.A N GLY 721.A O no hydrogen 2.951 N/A THR 725.A OG1 GLY 721.A O no hydrogen 2.666 N/A THR 726.A N GLY 722.A O no hydrogen 3.015 N/A THR 726.A OG1 GLY 722.A O no hydrogen 3.098 N/A TRP 727.A N ILE 723.A O no hydrogen 2.881 N/A ALA 728.A N ALA 724.A O no hydrogen 2.934 N/A PHE 729.A N THR 725.A O no hydrogen 2.972 N/A PHE 730.A N THR 726.A O no hydrogen 2.899 N/A LEU 731.A N TRP 727.A O no hydrogen 2.973 N/A ALA 732.A N ALA 728.A O no hydrogen 2.945 N/A ARG 733.A N PHE 729.A O no hydrogen 2.936 N/A ARG 733.A NE GLN 601.A OE1 no hydrogen 3.180 N/A ARG 733.A NH1 GLN 643.A OE1 no hydrogen 2.653 N/A ARG 733.A NH2 GLN 601.A OE1 no hydrogen 3.221 N/A ILE 734.A N PHE 730.A O no hydrogen 2.926 N/A ILE 735.A N LEU 731.A O no hydrogen 2.956 N/A VAL 737.A N ARG 733.A O no hydrogen 3.516 N/A