Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d1e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ALA 2.A O no hydrogen 3.208 N/A GLN 6.A N ALA 2.A O no hydrogen 3.366 N/A GLN 6.A N TRP 3.A O no hydrogen 3.225 N/A GLN 7.A N TRP 3.A O no hydrogen 3.261 N/A GLN 7.A N GLU 4.A O no hydrogen 2.970 N/A GLN 7.A NE2 ASP 201.A OD1 no hydrogen 3.230 N/A GLN 7.A NE2 ASP 201.A OD2 no hydrogen 2.677 N/A ARG 8.A N GLU 4.A O no hydrogen 3.156 N/A ARG 8.A NE GLU 4.A OE2 no hydrogen 2.503 N/A ARG 8.A NH2 GLU 4.A OE1 no hydrogen 3.529 N/A ARG 8.A NH2 GLU 4.A OE2 no hydrogen 3.171 N/A PHE 10.A N GLN 7.A O no hydrogen 2.895 N/A THR 11.A N ARG 8.A O no hydrogen 3.221 N/A THR 11.A OG1 ARG 8.A O no hydrogen 2.735 N/A TRP 13.A N THR 9.A O no hydrogen 2.705 N/A CYS 14.A N PHE 10.A O no hydrogen 2.975 N/A CYS 14.A SG PHE 10.A O no hydrogen 3.597 N/A ASN 15.A N THR 11.A O no hydrogen 2.925 N/A ASN 15.A ND2 THR 11.A O no hydrogen 2.444 N/A SER 16.A N ALA 12.A O no hydrogen 3.069 N/A SER 16.A OG TRP 13.A O no hydrogen 2.613 N/A HIS 17.A N TRP 13.A O no hydrogen 3.232 N/A LEU 18.A N CYS 14.A O no hydrogen 2.842 N/A LYS 20.A NZ SER 16.A O no hydrogen 3.558 N/A GLY 22.A N ARG 19.A O no hydrogen 3.020 N/A THR 23.A N LEU 18.A O no hydrogen 3.166 N/A GLN 24.A NE2 ASN 15.A O no hydrogen 3.344 N/A ILE 25.A N ASN 15.A OD1 no hydrogen 3.023 N/A GLU 30.A N ASN 27.A OD1 no hydrogen 2.951 N/A ARG 33.A N GLU 30.A O no hydrogen 3.277 N/A ARG 33.A NE VAL 86.A O no hydrogen 2.220 N/A ARG 33.A NH2 VAL 86.A O no hydrogen 3.060 N/A MET 38.A N GLY 35.A O no hydrogen 2.997 N/A LEU 39.A N LEU 36.A O no hydrogen 2.965 N/A LEU 41.A N LEU 37.A O no hydrogen 3.268 N/A VAL 43.A N LEU 39.A O no hydrogen 2.940 N/A ILE 44.A N LEU 40.A O no hydrogen 3.074 N/A SER 45.A N LEU 41.A O no hydrogen 2.607 N/A SER 45.A OG LEU 41.A O no hydrogen 2.794 N/A SER 45.A OG TYR 69.A OH no hydrogen 2.585 N/A GLY 46.A N GLU 42.A O no hydrogen 2.514 N/A LEU 49.A N GLU 42.A OE1 no hydrogen 3.254 N/A ARG 58.A NH1 ASP 87.A OD1 no hydrogen 2.357 N/A ALA 62.A N PHE 59.A O no hydrogen 2.917 N/A ASN 63.A N HIS 60.A O no hydrogen 2.867 N/A ASN 63.A ND2 ASP 53.A O no hydrogen 2.500 N/A ASN 65.A N ILE 61.A O no hydrogen 3.063 N/A LEU 67.A N VAL 64.A O no hydrogen 2.370 N/A ASP 68.A N ASN 65.A O no hydrogen 2.509 N/A TYR 69.A OH GLU 47.A OE2 no hydrogen 2.610 N/A ALA 71.A N LEU 67.A O no hydrogen 3.106 N/A SER 72.A N ASP 68.A O no hydrogen 3.248 N/A SER 72.A OG TYR 69.A O no hydrogen 2.426 N/A LYS 73.A N TYR 69.A O no hydrogen 2.526 N/A LYS 73.A NZ TYR 69.A OH no hydrogen 3.503 N/A VAL 75.A N ILE 70.A O no hydrogen 3.272 N/A GLY 88.A N ILE 85.A O no hydrogen 2.964 N/A ASN 89.A N GLU 84.A O no hydrogen 3.131 N/A THR 93.A N ASN 89.A O no hydrogen 3.075 N/A THR 93.A OG1 ASN 89.A O no hydrogen 3.347 N/A LEU 94.A N VAL 90.A O no hydrogen 2.771 N/A MET 96.A N MET 92.A O no hydrogen 3.151 N/A TRP 98.A N LEU 94.A O no hydrogen 3.233 N/A THR 99.A OG1 MET 96.A O no hydrogen 2.389 N/A ILE 100.A N MET 96.A O no hydrogen 2.937 N/A ILE 101.A N ILE 97.A O no hydrogen 2.856 N/A LEU 102.A N TRP 98.A O no hydrogen 2.587 N/A ARG 103.A N THR 99.A O no hydrogen 2.403 N/A ARG 103.A NE ARG 103.A O no hydrogen 3.203 N/A PHE 104.A N ILE 100.A O no hydrogen 2.554 N/A ALA 105.A N ILE 101.A O no hydrogen 2.747 N/A ILE 106.A N ILE 101.A O no hydrogen 3.026 N/A GLN 107.A N LEU 102.A O no hydrogen 2.947 N/A VAL 111.A N THR 114.A O no hydrogen 2.822 N/A THR 114.A N VAL 111.A O no hydrogen 3.355 N/A ALA 116.A N ILE 109.A O no hydrogen 2.583 N/A GLY 119.A N SER 115.A O no hydrogen 3.196 N/A LEU 120.A N ALA 116.A O no hydrogen 2.862 N/A LEU 121.A N LYS 117.A O no hydrogen 3.199 N/A LEU 122.A N GLU 118.A O no hydrogen 2.906 N/A TRP 123.A N GLY 119.A O no hydrogen 3.141 N/A CYS 124.A N LEU 120.A O no hydrogen 3.059 N/A CYS 124.A SG LEU 120.A O no hydrogen 3.047 N/A CYS 124.A SG LEU 121.A O no hydrogen 3.288 N/A GLN 125.A N LEU 121.A O no hydrogen 2.933 N/A ARG 126.A N LEU 122.A O no hydrogen 2.993 N/A THR 127.A OG1 CYS 124.A O no hydrogen 2.517 N/A ALA 128.A N ARG 126.A O no hydrogen 3.360 N/A TYR 130.A N THR 127.A O no hydrogen 2.759 N/A TYR 130.A OH HIS 152.A ND1 no hydrogen 2.638 N/A VAL 133.A N TYR 130.A O no hydrogen 3.313 N/A GLN 136.A N SER 141.A OG no hydrogen 2.405 N/A GLN 136.A NE2 ASN 134.A OD1 no hydrogen 3.454 N/A SER 141.A OG ASN 137.A O no hydrogen 3.290 N/A TRP 142.A N HIS 139.A O no hydrogen 2.892 N/A GLY 144.A N TRP 142.A O no hydrogen 3.118 N/A LEU 145.A N ASP 143.A OD1 no hydrogen 2.758 N/A GLY 146.A N ASP 143.A OD1 no hydrogen 3.447 N/A CYS 148.A N GLY 144.A O no hydrogen 3.126 N/A CYS 148.A SG GLY 144.A O no hydrogen 3.476 N/A CYS 148.A SG ASN 172.A O no hydrogen 3.587 N/A ALA 149.A N LEU 145.A O no hydrogen 2.975 N/A LEU 150.A N LEU 147.A O no hydrogen 3.277 N/A HIS 152.A N CYS 148.A O no hydrogen 3.288 N/A HIS 152.A ND1 TYR 130.A OH no hydrogen 2.638 N/A ARG 153.A N ALA 149.A O no hydrogen 2.675 N/A ARG 153.A NE ARG 153.A O no hydrogen 3.059 N/A HIS 154.A N LEU 150.A O no hydrogen 2.621 N/A ARG 155.A N ILE 151.A O no hydrogen 2.961 N/A ARG 155.A NE ASP 157.A OD2 no hydrogen 3.056 N/A ARG 155.A NH2 ASP 157.A OD2 no hydrogen 2.586 N/A ASP 157.A N ASP 157.A OD1 no hydrogen 2.336 N/A ILE 159.A N PRO 156.A O no hydrogen 3.170 N/A TYR 161.A OH LEU 145.A O no hydrogen 3.324 N/A SER 162.A N ASP 160.A OD1 no hydrogen 3.206 N/A SER 162.A OG ASP 160.A OD1 no hydrogen 2.824 N/A LEU 164.A N TYR 161.A O no hydrogen 3.219 N/A LYS 166.A N ASN 165.A OD1 no hydrogen 2.753 N/A GLY 171.A N ASP 168.A OD1 no hydrogen 3.129 N/A ASN 172.A N ASP 168.A O no hydrogen 2.899 N/A ASN 172.A ND2 ASP 143.A O no hydrogen 3.502 N/A ASN 172.A ND2 ASN 165.A O no hydrogen 3.077 N/A ILE 173.A N PRO 169.A O no hydrogen 2.809 N/A ASN 174.A N ILE 170.A O no hydrogen 3.125 N/A ASN 174.A ND2 ASN 174.A O no hydrogen 2.997 N/A LEU 175.A N ASN 172.A O no hydrogen 2.768 N/A ALA 176.A N ASN 172.A O no hydrogen 2.958 N/A MET 177.A N ILE 173.A O no hydrogen 3.248 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.378 N/A ILE 179.A N ALA 176.A O no hydrogen 2.817 N/A ALA 180.A N ALA 176.A O no hydrogen 2.937 N/A GLU 181.A N MET 177.A O no hydrogen 3.086 N/A LYS 182.A N GLU 178.A O no hydrogen 2.921 N/A HIS 183.A N ALA 180.A O no hydrogen 3.124 N/A ASP 194.A N ASP 191.A OD2 no hydrogen 3.137 N/A ASN 197.A N GLU 193.A O no hydrogen 3.373 N/A THR 198.A N ASP 194.A O no hydrogen 2.742 N/A THR 198.A OG1 ASP 194.A O no hydrogen 2.519 N/A ASP 201.A N GLN 6.A OE1 no hydrogen 3.295 N/A ILE 205.A N ASP 201.A O no hydrogen 3.267 N/A ILE 205.A N GLU 202.A O no hydrogen 3.197 N/A MET 206.A N GLU 202.A O no hydrogen 3.088 N/A THR 207.A N ARG 203.A O no hydrogen 2.991 N/A THR 207.A OG1 ARG 203.A O no hydrogen 3.139 N/A VAL 209.A N ILE 205.A O no hydrogen 2.785 N/A SER 210.A N MET 206.A O no hydrogen 2.937 N/A SER 210.A OG THR 207.A O no hydrogen 2.801 N/A CYS 211.A N THR 207.A O no hydrogen 3.132 N/A CYS 211.A SG THR 207.A O no hydrogen 3.367 N/A PHE 212.A N TYR 208.A O no hydrogen 3.271 N/A TYR 213.A N VAL 209.A O no hydrogen 2.958 N/A HIS 214.A N SER 210.A O no hydrogen 2.920 N/A HIS 214.A NE2 ALA 105.A O no hydrogen 2.789 N/A ALA 215.A N CYS 211.A O no hydrogen 3.160 N/A PHE 216.A N TYR 213.A O no hydrogen 2.463 N/A ALA 217.A N TYR 213.A O no hydrogen 3.226 N/A GLN 221.A NE2 HIS 214.A O no hydrogen 3.687 N/A ALA 222.A N GLY 218.A O no hydrogen 3.099 N/A THR 224.A OG1 GLN 221.A O no hydrogen 3.014 N/A ALA 225.A N GLN 221.A O no hydrogen 3.148 N/A ALA 226.A N ALA 222.A O no hydrogen 3.025 N/A ASN 227.A N GLU 223.A O no hydrogen 2.742 N/A ARG 228.A N THR 224.A O no hydrogen 2.863 N/A ILE 229.A N ALA 225.A O no hydrogen 3.211 N/A CYS 230.A N ALA 226.A O no hydrogen 2.778 N/A LYS 231.A N ASN 227.A O no hydrogen 2.776 N/A VAL 232.A N ARG 228.A O no hydrogen 3.197 N/A LEU 233.A N ILE 229.A O no hydrogen 2.973 N/A ALA 234.A N CYS 230.A O no hydrogen 3.412 N/A GLN 237.A N LEU 233.A O no hydrogen 3.171 N/A GLN 237.A NE2 GLN 237.A O no hydrogen 2.362 N/A GLU 238.A N ALA 234.A O no hydrogen 2.966 N/A ASN 239.A N VAL 235.A O no hydrogen 3.067 N/A GLU 240.A N ASN 236.A O no hydrogen 2.837 N/A ARG 241.A N GLN 237.A O no hydrogen 2.618 N/A LEU 242.A N GLU 238.A O no hydrogen 2.432 N/A MET 243.A N GLU 240.A O no hydrogen 3.235 N/A GLU 247.A N GLU 244.A O no hydrogen 2.411 N/A ARG 248.A N GLU 244.A O no hydrogen 3.054 N/A ARG 248.A NH2 LEU 242.A O no hydrogen 3.481 N/A LEU 249.A N GLU 245.A O no hydrogen 3.328 N/A ALA 250.A N TYR 246.A O no hydrogen 3.165 N/A SER 251.A N GLU 247.A O no hydrogen 3.126 N/A SER 251.A OG GLU 247.A O no hydrogen 3.424 N/A GLU 252.A N ARG 248.A O no hydrogen 3.346 N/A LEU 253.A N LEU 249.A O no hydrogen 2.561 N/A TRP 256.A N SER 251.A O no hydrogen 3.089 N/A ILE 257.A N GLU 252.A O no hydrogen 2.783 N/A ARG 258.A N LEU 253.A O no hydrogen 3.159 N/A ARG 259.A N GLU 255.A O no hydrogen 2.766 N/A THR 260.A N TRP 256.A O no hydrogen 3.331 N/A THR 260.A OG1 TRP 256.A O no hydrogen 3.141 N/A ILE 261.A N ILE 257.A O no hydrogen 3.052 N/A LEU 264.A N THR 260.A O no hydrogen 2.962 N/A GLU 265.A N ILE 261.A O no hydrogen 2.811 N/A ARG 267.A N ASN 266.A OD1 no hydrogen 2.520 N/A ARG 267.A NH2 GLU 344.A OE2 no hydrogen 3.460 N/A ALA 275.A N THR 272.A O no hydrogen 2.744 N/A MET 276.A N MET 273.A O no hydrogen 2.907 N/A LYS 278.A N GLN 274.A O no hydrogen 3.425 N/A GLU 280.A N GLN 277.A O no hydrogen 2.835 N/A ASP 281.A N LYS 278.A O no hydrogen 3.232 N/A ARG 283.A N LEU 279.A O no hydrogen 2.739 N/A ASP 284.A N GLU 280.A O no hydrogen 3.076 N/A TYR 285.A N ASP 281.A O no hydrogen 2.650 N/A TYR 285.A OH GLU 339.A OE2 no hydrogen 2.250 N/A ARG 286.A N PHE 282.A O no hydrogen 3.188 N/A ARG 286.A NH2 GLU 339.A OE1 no hydrogen 3.100 N/A ARG 286.A NH2 GLU 343.A OE2 no hydrogen 2.435 N/A HIS 288.A N HIS 288.A ND1 no hydrogen 2.981 N/A VAL 292.A N PRO 289.A O no hydrogen 3.285 N/A GLN 293.A N PRO 289.A O no hydrogen 3.450 N/A GLU 294.A N PRO 290.A O no hydrogen 2.939 N/A CYS 296.A N VAL 292.A O no hydrogen 2.990 N/A GLN 297.A N GLN 293.A O no hydrogen 2.465 N/A LEU 298.A N GLU 294.A O no hydrogen 2.649 N/A GLU 299.A N LYS 295.A O no hydrogen 3.282 N/A ILE 300.A N CYS 296.A O no hydrogen 3.208 N/A ASN 301.A N GLN 297.A O no hydrogen 3.122 N/A PHE 302.A N LEU 298.A O no hydrogen 2.914 N/A ASN 303.A N GLU 299.A O no hydrogen 3.247 N/A ASN 303.A ND2 ILE 300.A O no hydrogen 3.194 N/A THR 304.A N ILE 300.A O no hydrogen 2.883 N/A THR 304.A OG1 ASN 301.A O no hydrogen 3.175 N/A LEU 305.A N ASN 301.A O no hydrogen 3.409 N/A GLN 306.A N PHE 302.A O no hydrogen 3.436 N/A THR 307.A N ASN 303.A O no hydrogen 3.358 N/A LYS 308.A N THR 304.A O no hydrogen 3.018 N/A LYS 308.A NZ ASN 239.A OD1 no hydrogen 2.914 N/A LEU 309.A N LEU 305.A O no hydrogen 2.598 N/A ARG 310.A N GLN 306.A O no hydrogen 3.317 N/A ILE 311.A N THR 307.A O no hydrogen 2.957 N/A ASN 313.A N ARG 310.A O no hydrogen 2.865 N/A ASN 313.A ND2 ILE 311.A O no hydrogen 3.375 N/A ASP 327.A N MET 324.A O no hydrogen 3.083 N/A ILE 328.A N VAL 325.A O no hydrogen 2.772 N/A ALA 331.A N ASP 327.A O no hydrogen 2.586 N/A TRP 332.A N ILE 328.A O no hydrogen 2.751 N/A GLN 333.A N ALA 329.A O no hydrogen 2.549 N/A ARG 334.A N GLY 330.A O no hydrogen 2.889 N/A GLU 336.A N TRP 332.A O no hydrogen 2.969 N/A GLN 337.A N GLN 333.A O no hydrogen 3.299 N/A ALA 338.A N LEU 335.A O no hydrogen 2.795 N/A GLU 339.A N LEU 335.A O no hydrogen 3.367 N/A GLY 341.A N GLN 337.A O no hydrogen 3.099 N/A TYR 342.A N ALA 338.A O no hydrogen 2.628 N/A GLU 343.A N GLU 339.A O no hydrogen 2.996 N/A GLU 344.A N LYS 340.A O no hydrogen 3.045 N/A TRP 345.A N GLY 341.A O no hydrogen 3.182 N/A LEU 346.A N TYR 342.A O no hydrogen 2.968 N/A LEU 347.A N GLU 344.A O no hydrogen 3.056 N/A ASN 348.A N TRP 345.A O no hydrogen 3.415 N/A LEU 353.A N GLU 349.A O no hydrogen 2.469 N/A GLU 354.A N ARG 351.A O no hydrogen 2.946 N/A ARG 355.A N ARG 351.A O no hydrogen 3.170 N/A LEU 356.A N ARG 352.A O no hydrogen 3.314 N/A HIS 358.A N GLU 354.A O no hydrogen 3.196 N/A LEU 359.A N ARG 355.A O no hydrogen 2.455 N/A ALA 360.A N LEU 356.A O no hydrogen 2.772 N/A GLU 361.A N GLU 357.A O no hydrogen 3.131 N/A LYS 362.A N HIS 358.A O no hydrogen 3.058 N/A PHE 363.A N LEU 359.A O no hydrogen 2.815 N/A GLN 365.A N GLU 361.A O no hydrogen 3.004 N/A LYS 366.A N LYS 362.A O no hydrogen 2.936 N/A ALA 367.A N PHE 363.A O no hydrogen 2.801 N/A SER 368.A N ARG 364.A O no hydrogen 3.130 N/A THR 369.A N GLN 365.A O no hydrogen 3.301 N/A THR 369.A OG1 LYS 366.A O no hydrogen 2.884 N/A HIS 370.A N LYS 366.A O no hydrogen 3.143 N/A GLU 371.A N ALA 367.A O no hydrogen 2.977 N/A THR 372.A N SER 368.A O no hydrogen 3.150 N/A THR 372.A OG1 THR 369.A O no hydrogen 2.386 N/A TRP 373.A N HIS 370.A O no hydrogen 3.178 N/A ALA 374.A N HIS 370.A O no hydrogen 2.859 N/A TYR 375.A N GLU 371.A O no hydrogen 3.069 N/A LYS 377.A N ALA 374.A O no hydrogen 3.267 N/A LYS 377.A NZ TRP 373.A O no hydrogen 2.693 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.345 N/A GLN 379.A N GLN 379.A OE1 no hydrogen 2.665 N/A LEU 381.A N GLU 378.A O no hydrogen 2.695 N/A LEU 382.A N GLU 378.A O no hydrogen 2.997 N/A GLN 383.A N GLN 379.A O no hydrogen 3.116 N/A LYS 384.A NZ TYR 386.A OH no hydrogen 2.820 N/A GLU 387.A N LYS 384.A O no hydrogen 3.274 N/A ALA 389.A N TYR 386.A O no hydrogen 2.943 N/A SER 390.A N GLU 393.A OE1 no hydrogen 3.458 N/A SER 390.A OG THR 392.A OG1 no hydrogen 3.261 N/A THR 392.A OG1 SER 390.A OG no hydrogen 3.261 N/A GLU 393.A N SER 390.A OG no hydrogen 3.271 N/A VAL 394.A N SER 390.A O no hydrogen 2.807 N/A ARG 395.A N LEU 391.A O no hydrogen 2.816 N/A ALA 396.A N THR 392.A O no hydrogen 3.099 N/A ALA 396.A N GLU 393.A O no hydrogen 2.974 N/A LEU 397.A N GLU 393.A O no hydrogen 2.994 N/A LEU 398.A N VAL 394.A O no hydrogen 2.850 N/A HIS 400.A NE2 THR 453.A O no hydrogen 2.961 N/A GLU 401.A N LEU 398.A O no hydrogen 2.943 N/A ALA 402.A N ARG 399.A O no hydrogen 3.138 N/A GLU 404.A N HIS 400.A O no hydrogen 3.116 N/A SER 405.A N GLU 401.A O no hydrogen 3.150 N/A SER 405.A OG ALA 402.A O no hydrogen 2.789 N/A ASP 406.A N ALA 402.A O no hydrogen 3.172 N/A LEU 407.A N PHE 403.A O no hydrogen 2.813 N/A ALA 408.A N GLU 404.A O no hydrogen 3.257 N/A ALA 408.A N SER 405.A O no hydrogen 3.222 N/A ALA 409.A N SER 405.A O no hydrogen 3.063 N/A HIS 410.A N ASP 406.A O no hydrogen 2.977 N/A GLN 411.A N ALA 408.A O no hydrogen 3.155 N/A VAL 414.A N GLN 411.A O no hydrogen 2.811 N/A GLU 415.A N GLN 411.A O no hydrogen 3.094 N/A ALA 418.A N VAL 414.A O no hydrogen 3.448 N/A ALA 419.A N GLU 415.A O no hydrogen 3.110 N/A ILE 420.A N GLN 416.A O no hydrogen 2.945 N/A GLN 422.A N ALA 419.A O no hydrogen 2.724 N/A GLU 423.A N GLU 423.A OE1 no hydrogen 2.617 N/A LEU 424.A N ILE 420.A O no hydrogen 3.314 N/A ASN 425.A N ALA 421.A O no hydrogen 2.821 N/A GLU 426.A N GLN 422.A O no hydrogen 2.749 N/A LEU 427.A N LEU 424.A O no hydrogen 2.854 N/A ASP 428.A N ASN 425.A O no hydrogen 2.910 N/A ALA 432.A N TYR 429.A O no hydrogen 3.420 N/A ASN 434.A N ASP 431.A O no hydrogen 2.873 N/A ASN 434.A ND2 ASP 431.A OD1 no hydrogen 3.424 N/A VAL 435.A N ASP 431.A O no hydrogen 3.339 N/A ASN 436.A N ALA 432.A O no hydrogen 2.857 N/A ARG 438.A N ASN 434.A O no hydrogen 2.922 N/A ARG 438.A NH2 GLU 371.A OE1 no hydrogen 2.974 N/A CYS 439.A N VAL 435.A O no hydrogen 2.598 N/A CYS 439.A SG ILE 417.A O no hydrogen 3.692 N/A GLN 440.A N ASN 436.A O no hydrogen 3.041 N/A LYS 441.A N ASP 437.A O no hydrogen 2.583 N/A LYS 441.A NZ ASP 437.A OD2 no hydrogen 3.154 N/A ILE 442.A N ARG 438.A O no hydrogen 2.921 N/A CYS 443.A N CYS 439.A O no hydrogen 2.656 N/A ASP 444.A N GLN 440.A O no hydrogen 2.326 N/A GLN 445.A N LYS 441.A O no hydrogen 3.343 N/A TRP 446.A N ILE 442.A O no hydrogen 3.285 N/A ASP 447.A N CYS 443.A O no hydrogen 3.109 N/A LEU 449.A N GLN 445.A O no hydrogen 2.501 N/A GLY 450.A N TRP 446.A O no hydrogen 3.006 N/A THR 451.A N ASP 447.A O no hydrogen 3.195 N/A LEU 452.A N ARG 448.A O no hydrogen 2.783 N/A LEU 452.A N LEU 449.A O no hydrogen 3.155 N/A THR 453.A N LEU 449.A O no hydrogen 3.249 N/A THR 453.A N GLY 450.A O no hydrogen 3.366 N/A THR 453.A OG1 GLY 450.A O no hydrogen 3.261 N/A GLN 454.A N GLN 454.A OE1 no hydrogen 2.203 N/A GLN 454.A NE2 THR 451.A OG1 no hydrogen 3.189 N/A LYS 455.A NZ THR 451.A O no hydrogen 2.473 N/A ARG 456.A N LEU 452.A O no hydrogen 2.831 N/A ARG 456.A NH1 LEU 381.A O no hydrogen 3.517 N/A ARG 456.A NH1 GLN 383.A O no hydrogen 2.936 N/A ARG 456.A NH1 ASP 385.A OD1 no hydrogen 3.458 N/A ARG 456.A NH2 ASP 385.A OD1 no hydrogen 3.119 N/A ARG 457.A N THR 453.A O no hydrogen 2.779 N/A GLU 458.A N GLN 454.A O no hydrogen 2.353 N/A ALA 459.A N LYS 455.A O no hydrogen 3.005 N/A LEU 460.A N ARG 456.A O no hydrogen 2.831 N/A GLU 461.A N ARG 457.A O no hydrogen 2.897 N/A ARG 462.A N GLU 458.A O no hydrogen 2.955 N/A MET 463.A N ALA 459.A O no hydrogen 3.319 N/A LYS 465.A N GLU 461.A O no hydrogen 2.985 N/A LEU 466.A N ARG 462.A O no hydrogen 3.093 N/A LEU 467.A N MET 463.A O no hydrogen 3.399 N/A GLU 468.A N GLU 464.A O no hydrogen 3.167 N/A THR 469.A N LYS 465.A O no hydrogen 2.993 N/A ILE 470.A N LEU 466.A O no hydrogen 3.200 N/A ASP 471.A N LEU 467.A O no hydrogen 3.469 N/A GLN 472.A N GLU 468.A O no hydrogen 2.769 N/A LEU 473.A N THR 469.A O no hydrogen 2.984 N/A HIS 474.A N ILE 470.A O no hydrogen 2.493 N/A LEU 475.A N ASP 471.A O no hydrogen 3.157 N/A GLU 476.A N LEU 473.A O no hydrogen 2.805 N/A PHE 477.A N LEU 473.A O no hydrogen 3.181 N/A LYS 479.A N LEU 475.A O no hydrogen 3.121 N/A ARG 480.A N GLU 476.A O no hydrogen 2.795 N/A ARG 480.A NH2 SER 529.A OG no hydrogen 2.393 N/A ALA 481.A N PHE 477.A O no hydrogen 2.843 N/A ASN 485.A N ALA 481.A O no hydrogen 3.330 N/A ASN 486.A N PRO 483.A O no hydrogen 2.436 N/A TRP 487.A N PRO 483.A O no hydrogen 2.730 N/A MET 488.A N PHE 484.A O no hydrogen 3.361 N/A GLU 489.A N ASN 485.A O no hydrogen 3.132 N/A GLY 490.A N ASN 486.A O no hydrogen 2.778 N/A ALA 491.A N TRP 487.A O no hydrogen 2.969 N/A MET 492.A N MET 488.A O no hydrogen 2.712 N/A GLU 493.A N GLU 489.A O no hydrogen 3.257 N/A ASP 494.A N GLY 490.A O no hydrogen 3.090 N/A ASP 494.A N ALA 491.A O no hydrogen 3.170 N/A LEU 495.A N ALA 491.A O no hydrogen 3.033 N/A ASP 497.A N ASP 494.A O no hydrogen 3.169 N/A HIS 502.A N GLU 506.A OE1 no hydrogen 2.835 N/A GLU 506.A N SER 503.A OG no hydrogen 3.027 N/A GLN 508.A N ILE 504.A O no hydrogen 2.911 N/A SER 509.A N GLU 505.A O no hydrogen 2.855 N/A SER 509.A OG GLU 505.A O no hydrogen 3.301 N/A LEU 510.A N GLU 506.A O no hydrogen 3.298 N/A ILE 511.A N ILE 507.A O no hydrogen 3.080 N/A THR 512.A N GLN 508.A O no hydrogen 2.845 N/A THR 512.A OG1 GLU 515.A OE2 no hydrogen 3.083 N/A ALA 513.A N SER 509.A O no hydrogen 2.635 N/A HIS 514.A N LEU 510.A O no hydrogen 3.033 N/A GLU 515.A N ILE 511.A O no hydrogen 3.292 N/A PHE 517.A N ALA 513.A O no hydrogen 3.107 N/A THR 519.A OG1 PHE 517.A O no hydrogen 3.026 N/A LEU 520.A N PHE 517.A O no hydrogen 3.295 N/A GLU 522.A N THR 519.A O no hydrogen 2.324 N/A ALA 523.A N THR 519.A O no hydrogen 3.271 N/A ASP 524.A N LEU 520.A O no hydrogen 3.215 N/A GLY 525.A N PRO 521.A O no hydrogen 3.159 N/A GLU 526.A N GLU 522.A O no hydrogen 2.973 N/A ARG 527.A N ALA 523.A O no hydrogen 2.945 N/A GLN 528.A N ASP 524.A O no hydrogen 2.822 N/A SER 529.A N GLY 525.A O no hydrogen 2.881 N/A ILE 530.A N GLU 526.A O no hydrogen 2.963 N/A MET 531.A N ARG 527.A O no hydrogen 3.014 N/A ALA 532.A N SER 529.A O no hydrogen 2.953 N/A ILE 533.A N ILE 530.A O no hydrogen 3.059 N/A ASN 535.A N MET 531.A O no hydrogen 3.275 N/A GLU 536.A N ALA 532.A O no hydrogen 2.536 N/A VAL 537.A N ILE 533.A O no hydrogen 3.107 N/A LYS 539.A N ASN 535.A O no hydrogen 3.075 N/A LYS 539.A NZ GLU 536.A OE2 no hydrogen 3.193 N/A VAL 540.A N GLU 536.A O no hydrogen 2.983 N/A ILE 541.A N VAL 537.A O no hydrogen 3.029 N/A GLN 542.A N GLU 538.A O no hydrogen 2.990 N/A SER 543.A N LYS 539.A O no hydrogen 3.045 N/A SER 543.A N VAL 540.A O no hydrogen 2.624 N/A TYR 544.A N VAL 540.A O no hydrogen 3.185 N/A SER 550.A OG SER 549.A O no hydrogen 3.094 N/A ASN 552.A ND2 HIS 474.A O no hydrogen 2.302 N/A TYR 554.A N ASN 552.A OD1 no hydrogen 2.948 N/A TYR 554.A OH ASP 471.A OD2 no hydrogen 2.398 N/A SER 555.A N ASN 552.A OD1 no hydrogen 3.106 N/A SER 555.A OG VAL 557.A O no hydrogen 3.293 N/A LEU 562.A N MET 559.A O no hydrogen 3.098 N/A ARG 563.A N MET 559.A O no hydrogen 3.157 N/A THR 564.A N ASP 560.A O no hydrogen 2.901 N/A LYS 565.A NZ ASN 485.A OD1 no hydrogen 3.285 N/A TRP 566.A N LEU 562.A O no hydrogen 2.917 N/A ASP 567.A N ARG 563.A O no hydrogen 3.381 N/A LYS 568.A N THR 564.A O no hydrogen 2.876 N/A VAL 569.A N LYS 565.A O no hydrogen 2.912 N/A LYS 570.A N TRP 566.A O no hydrogen 2.857 N/A GLN 571.A N ASP 567.A O no hydrogen 2.811 N/A LEU 572.A N LYS 568.A O no hydrogen 3.180 N/A LEU 572.A N VAL 569.A O no hydrogen 2.929 N/A VAL 573.A N VAL 569.A O no hydrogen 3.207 N/A VAL 573.A N LYS 570.A O no hydrogen 3.251 N/A ARG 576.A N LEU 572.A O no hydrogen 3.046 N/A ARG 576.A NH1 ASP 497.A O no hydrogen 3.020 N/A ARG 576.A NH2 ASP 497.A OD1 no hydrogen 3.127 N/A ASP 577.A N VAL 573.A O no hydrogen 2.755 N/A GLN 578.A N PRO 574.A O no hydrogen 3.354 N/A LEU 580.A N ARG 576.A O no hydrogen 2.885 N/A GLN 581.A N ASP 577.A O no hydrogen 2.847 N/A GLU 582.A N GLN 578.A O no hydrogen 3.055 N/A GLU 583.A N LEU 580.A O no hydrogen 3.141 N/A LEU 584.A N GLN 581.A O no hydrogen 2.642 N/A ALA 585.A N GLN 581.A O no hydrogen 2.953 N/A ARG 586.A N GLU 582.A O no hydrogen 2.898 N/A ARG 586.A NH2 VAL 501.A O no hydrogen 3.162 N/A GLN 587.A N GLU 583.A O no hydrogen 3.207 N/A HIS 588.A N LEU 584.A O no hydrogen 2.913 N/A ALA 589.A N ALA 585.A O no hydrogen 2.872 N/A ASN 590.A N ARG 586.A O no hydrogen 3.011 N/A GLU 591.A N HIS 588.A O no hydrogen 2.485 N/A ARG 592.A N HIS 588.A O no hydrogen 2.988 N/A LEU 593.A N ALA 589.A O no hydrogen 3.123 N/A ARG 594.A N ASN 590.A O no hydrogen 2.936 N/A ARG 594.A NE ASP 663.A O no hydrogen 2.982 N/A ARG 594.A NE ASP 663.A OD2 no hydrogen 3.009 N/A ARG 594.A NH1 GLU 591.A OE1 no hydrogen 3.349 N/A ARG 594.A NH2 ASP 663.A OD1 no hydrogen 3.068 N/A ARG 594.A NH2 ASP 663.A OD2 no hydrogen 3.021 N/A ARG 595.A N GLU 591.A O no hydrogen 2.739 N/A GLN 596.A N ARG 592.A O no hydrogen 2.775 N/A ALA 598.A N ARG 594.A O no hydrogen 3.309 N/A ALA 598.A N ARG 595.A O no hydrogen 2.920 N/A ALA 599.A N ARG 595.A O no hydrogen 2.807 N/A GLN 600.A N GLN 596.A O no hydrogen 3.133 N/A ALA 601.A N PHE 597.A O no hydrogen 3.203 N/A ASN 602.A N ALA 598.A O no hydrogen 2.725 N/A ASN 602.A ND2 HIS 666.A O no hydrogen 3.374 N/A ALA 603.A N GLN 600.A O no hydrogen 2.557 N/A ILE 604.A N GLN 600.A O no hydrogen 3.168 N/A GLY 605.A N ALA 601.A O no hydrogen 3.419 N/A TRP 607.A N ILE 604.A O no hydrogen 2.863 N/A ILE 608.A N ILE 604.A O no hydrogen 3.060 N/A GLN 609.A N GLY 605.A O no hydrogen 3.460 N/A LYS 611.A N TRP 607.A O no hydrogen 2.884 N/A LYS 611.A NZ ASN 639.A OD1 no hydrogen 3.006 N/A MET 612.A N ILE 608.A O no hydrogen 2.565 N/A GLU 613.A N GLN 609.A O no hydrogen 3.221 N/A GLU 614.A N ASN 610.A O no hydrogen 2.853 N/A ARG 617.A N GLU 613.A O no hydrogen 3.150 N/A SER 618.A N GLU 614.A O no hydrogen 3.333 N/A SER 619.A OG ALA 616.A O no hydrogen 2.626 N/A GLN 621.A NE2 THR 623.A O no hydrogen 3.252 N/A GLN 621.A NE2 ASP 628.A OD2 no hydrogen 3.297 N/A GLN 629.A N ALA 625.A O no hydrogen 2.794 N/A MET 630.A N LEU 626.A O no hydrogen 3.270 N/A ASN 631.A N GLU 627.A O no hydrogen 2.621 N/A GLN 632.A N ASP 628.A O no hydrogen 2.903 N/A LYS 634.A N MET 630.A O no hydrogen 3.021 N/A GLN 635.A N GLN 632.A O no hydrogen 3.321 N/A TYR 636.A N LEU 633.A O no hydrogen 3.091 N/A ASN 639.A N GLN 635.A O no hydrogen 3.040 N/A ILE 640.A N TYR 636.A O no hydrogen 2.477 N/A ILE 641.A N GLU 637.A O no hydrogen 3.069 N/A TYR 643.A N ILE 640.A O no hydrogen 2.904 N/A ILE 646.A N TYR 643.A O no hydrogen 3.118 N/A LYS 648.A N ASN 644.A O no hydrogen 2.955 N/A LEU 649.A N ASN 645.A O no hydrogen 3.226 N/A GLU 650.A N ILE 646.A O no hydrogen 3.037 N/A GLY 651.A N ASP 647.A O no hydrogen 2.759 N/A ASP 652.A N LYS 648.A O no hydrogen 3.047 N/A HIS 653.A N LEU 649.A O no hydrogen 3.035 N/A GLN 654.A N GLU 650.A O no hydrogen 2.982 N/A GLN 654.A NE2 GLN 654.A O no hydrogen 3.421 N/A ILE 656.A N ASP 652.A O no hydrogen 3.332 N/A GLN 657.A N HIS 653.A O no hydrogen 3.088 N/A GLN 657.A N GLN 654.A O no hydrogen 3.109 N/A GLU 658.A N GLN 654.A O no hydrogen 2.771 N/A ALA 659.A N LEU 655.A O no hydrogen 3.088 N/A VAL 661.A N ALA 659.A O no hydrogen 3.128 N/A ASN 664.A ND2 ARG 594.A O no hydrogen 3.256 N/A LYS 665.A NZ GLU 591.A OE2 no hydrogen 3.058 N/A HIS 666.A N ASN 664.A OD1 no hydrogen 3.337 N/A TYR 669.A N THR 667.A OG1 no hydrogen 2.721 N/A ARG 675.A NH1 GLU 672.A OE2 no hydrogen 3.470 N/A VAL 676.A N GLU 672.A O no hydrogen 2.561 N/A GLY 677.A N HIS 673.A O no hydrogen 2.227 N/A TRP 678.A N ILE 674.A O no hydrogen 3.156 N/A LEU 680.A N VAL 676.A O no hydrogen 2.803 N/A LEU 681.A N GLY 677.A O no hydrogen 2.968 N/A LEU 682.A N TRP 678.A O no hydrogen 3.055 N/A THR 683.A N GLU 679.A O no hydrogen 3.094 N/A THR 683.A OG1 LEU 680.A O no hydrogen 3.129 N/A THR 684.A N LEU 680.A O no hydrogen 3.093 N/A ILE 685.A N LEU 681.A O no hydrogen 2.884 N/A ALA 686.A N LEU 682.A O no hydrogen 3.500 N/A ARG 687.A N THR 683.A O no hydrogen 3.186 N/A THR 688.A N THR 684.A O no hydrogen 3.099 N/A THR 688.A OG1 THR 684.A O no hydrogen 3.338 N/A THR 688.A OG1 ILE 685.A O no hydrogen 2.900 N/A ILE 689.A N ILE 685.A O no hydrogen 2.781 N/A ASN 690.A N ALA 686.A O no hydrogen 2.792 N/A GLU 691.A N ARG 687.A O no hydrogen 2.475 N/A VAL 692.A N THR 688.A O no hydrogen 2.830 N/A GLU 693.A N ILE 689.A O no hydrogen 2.583 N/A THR 694.A N ASN 690.A O no hydrogen 2.521 N/A THR 694.A OG1 ASN 690.A OD1 no hydrogen 3.493 N/A THR 694.A OG1 GLU 693.A OE1 no hydrogen 3.375 N/A GLN 695.A N GLU 691.A O no hydrogen 3.198 N/A ILE 696.A N VAL 692.A O no hydrogen 2.868 N/A LEU 697.A N THR 694.A O no hydrogen 2.743 N/A THR 698.A N THR 694.A O no hydrogen 3.355 N/A THR 698.A OG1 ASP 770.A OD1 no hydrogen 2.859 N/A THR 698.A OG1 ASP 770.A OD2 no hydrogen 2.407 N/A ARG 699.A N GLN 695.A O no hydrogen 3.309 N/A ASP 700.A N ILE 696.A O no hydrogen 2.956 N/A THR 705.A OG1 GLN 706.A OE1 no hydrogen 2.943 N/A ASN 710.A N GLN 706.A O no hydrogen 3.157 N/A ASN 710.A ND2 GLU 707.A O no hydrogen 3.314 N/A GLU 711.A N GLU 707.A O no hydrogen 2.942 N/A PHE 712.A N GLN 708.A O no hydrogen 3.292 N/A ARG 713.A N MET 709.A O no hydrogen 2.836 N/A ALA 714.A N ASN 710.A O no hydrogen 2.637 N/A ALA 714.A N GLU 711.A O no hydrogen 3.238 N/A SER 715.A N GLU 711.A O no hydrogen 3.118 N/A SER 715.A OG GLU 711.A O no hydrogen 3.525 N/A PHE 716.A N PHE 712.A O no hydrogen 2.576 N/A HIS 718.A N SER 715.A O no hydrogen 3.201 N/A PHE 732.A N ASP 728.A O no hydrogen 3.219 N/A ALA 734.A N GLU 730.A O no hydrogen 3.376 N/A CYS 735.A N ASP 731.A O no hydrogen 3.016 N/A LEU 736.A N PHE 732.A O no hydrogen 3.426 N/A ILE 737.A N ARG 733.A O no hydrogen 2.953 N/A SER 738.A N ALA 734.A O no hydrogen 2.787 N/A SER 738.A OG ALA 734.A O no hydrogen 2.349 N/A TYR 741.A N LEU 736.A O no hydrogen 3.115 N/A MET 752.A N PHE 748.A O no hydrogen 2.654 N/A THR 753.A N ALA 749.A O no hydrogen 3.030 N/A THR 753.A OG1 THR 753.A O no hydrogen 2.594 N/A ASP 756.A N THR 753.A O no hydrogen 3.143 N/A ILE 769.A N PHE 765.A O no hydrogen 2.875 N/A ASP 770.A N GLN 766.A O no hydrogen 2.993 N/A MET 772.A N PHE 768.A O no hydrogen 3.044 N/A THR 773.A OG1 ASP 770.A O no hydrogen 3.563 N/A ARG 774.A N ASP 770.A O no hydrogen 3.349 N/A THR 776.A OG1 THR 773.A O no hydrogen 3.418 N/A THR 781.A OG1 THR 779.A O no hydrogen 3.328 N/A GLN 784.A N THR 781.A O no hydrogen 3.364 N/A ALA 787.A N GLU 783.A O no hydrogen 3.145 N/A SER 788.A N GLN 784.A O no hydrogen 3.075 N/A SER 788.A OG GLN 784.A O no hydrogen 3.205 N/A SER 788.A OG GLN 784.A OE1 no hydrogen 3.463 N/A PHE 789.A N VAL 785.A O no hydrogen 2.698 N/A ARG 790.A N ILE 786.A O no hydrogen 2.707 N/A ARG 790.A NE ALA 787.A O no hydrogen 3.251 N/A LEU 792.A N PHE 789.A O no hydrogen 3.165 N/A ALA 793.A N PHE 789.A O no hydrogen 3.133 N/A TYR 798.A OH TYR 823.A O no hydrogen 2.937 N/A LEU 800.A N GLU 803.A OE2 no hydrogen 2.263 N/A GLU 802.A N GLU 802.A OE1 no hydrogen 2.348 N/A LEU 804.A N ALA 801.A O no hydrogen 3.259 N/A GLU 807.A N GLU 803.A O no hydrogen 2.553 N/A LEU 808.A N LEU 804.A O no hydrogen 2.908 N/A GLN 812.A N GLN 812.A OE1 no hydrogen 2.458 N/A TYR 815.A N ASP 811.A O no hydrogen 2.737 N/A CYS 816.A N GLN 812.A O no hydrogen 2.822 N/A CYS 816.A SG GLN 812.A O no hydrogen 3.258 N/A ILE 817.A N ALA 813.A O no hydrogen 3.199 N/A ARG 819.A N TYR 815.A O no hydrogen 3.241 N/A TYR 823.A N ALA 832.A O no hydrogen 2.769 N/A SER 824.A OG ASP 834.A OD1 no hydrogen 2.542 N/A SER 828.A OG TYR 798.A OH no hydrogen 2.517 N/A SER 828.A OG TYR 823.A O no hydrogen 3.463 N/A SER 828.A OG GLY 825.A O no hydrogen 2.659 N/A LEU 833.A N ILE 799.A O no hydrogen 2.696 N/A ASP 834.A N PRO 821.A O no hydrogen 2.765 N/A TYR 835.A OH LYS 796.A O no hydrogen 2.232 N/A ALA 836.A N ASP 834.A OD1 no hydrogen 3.242 N/A ALA 837.A N ASP 834.A OD2 no hydrogen 3.138 N/A SER 839.A N TYR 835.A O no hydrogen 3.063 N/A SER 839.A OG ALA 782.A O no hydrogen 3.543 N/A ALA 841.A N PHE 838.A O no hydrogen 3.385 N/A