Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wa1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N ASN 1.A OD1 no hydrogen 2.709 N/A PHE 10.A N ASP 527.A OD2 no hydrogen 3.263 N/A GLN 12.A N GLY 9.A O no hydrogen 3.275 N/A PHE 15.A N ASN 11.A O no hydrogen 3.271 N/A GLU 16.A N GLN 12.A O no hydrogen 2.906 N/A GLY 17.A N ILE 13.A O no hydrogen 2.922 N/A PHE 18.A N GLN 14.A O no hydrogen 2.902 N/A CYS 19.A N PHE 15.A O no hydrogen 2.928 N/A CYS 19.A SG PHE 15.A O no hydrogen 3.159 N/A ARG 20.A N GLU 16.A O no hydrogen 2.891 N/A PHE 21.A N GLY 17.A O no hydrogen 2.911 N/A ILE 22.A N PHE 18.A O no hydrogen 2.944 N/A ASP 23.A N CYS 19.A O no hydrogen 2.894 N/A GLN 24.A N ARG 20.A O no hydrogen 2.947 N/A GLY 25.A N PHE 21.A O no hydrogen 2.875 N/A THR 27.A OG1 GLN 24.A O no hydrogen 2.763 N/A GLU 28.A N GLN 24.A O no hydrogen 2.911 N/A GLU 29.A N GLY 25.A O no hydrogen 2.910 N/A LEU 30.A N LEU 26.A O no hydrogen 2.899 N/A TYR 31.A N THR 27.A O no hydrogen 2.916 N/A LYS 32.A N GLU 29.A O no hydrogen 3.309 N/A PHE 45.A N ILE 36.A O no hydrogen 3.243 N/A GLN 46.A N GLY 80.A O no hydrogen 2.907 N/A PHE 48.A N SER 78.A O no hydrogen 2.915 N/A THR 51.A N PHE 48.A O no hydrogen 3.209 N/A THR 51.A OG1 PHE 48.A O no hydrogen 2.859 N/A TYR 52.A OH ILE 22.A O no hydrogen 2.942 N/A VAL 55.A N GLU 74.A O no hydrogen 2.873 N/A ASP 63.A N LYS 60.A O no hydrogen 3.298 N/A ALA 64.A N LYS 60.A O no hydrogen 2.896 N/A VAL 65.A N GLU 61.A O no hydrogen 2.912 N/A GLU 67.A N ASP 63.A O no hydrogen 2.879 N/A SER 68.A OG ASN 111.A O no hydrogen 3.091 N/A LEU 69.A N ALA 64.A O no hydrogen 2.831 N/A THR 70.A OG1 SER 72.A OG no hydrogen 2.961 N/A THR 70.A OG1 ILE 109.A O no hydrogen 3.414 N/A TYR 71.A N ILE 109.A O no hydrogen 2.971 N/A SER 72.A OG THR 70.A OG1 no hydrogen 2.961 N/A SER 73.A N ILE 99.A O no hydrogen 2.652 N/A SER 73.A OG VAL 55.A O no hydrogen 2.216 N/A GLU 74.A N VAL 55.A O no hydrogen 3.422 N/A LEU 75.A N GLY 97.A O no hydrogen 3.180 N/A TYR 76.A N GLN 53.A O no hydrogen 3.296 N/A VAL 77.A N ILE 94.A O no hydrogen 3.400 N/A ALA 79.A N GLN 92.A O no hydrogen 2.618 N/A GLY 80.A N GLN 46.A O no hydrogen 2.858 N/A LEU 81.A N GLN 90.A O no hydrogen 3.090 N/A ILE 82.A N GLU 44.A O no hydrogen 3.054 N/A TRP 83.A N ASP 88.A O no hydrogen 3.212 N/A ARG 87.A N TRP 83.A O no hydrogen 3.354 N/A GLN 90.A N LEU 81.A O no hydrogen 3.158 N/A GLN 92.A N ALA 79.A O no hydrogen 2.940 N/A ILE 94.A N VAL 77.A O no hydrogen 3.165 N/A ILE 96.A N LEU 75.A O no hydrogen 3.214 N/A ILE 99.A N SER 73.A O no hydrogen 2.821 N/A LEU 101.A N TYR 71.A O no hydrogen 3.228 N/A ASN 103.A N THR 107.A O no hydrogen 2.793 N/A GLY 106.A N ASN 103.A O no hydrogen 3.081 N/A SER 108.A N ARG 115.A O no hydrogen 3.069 N/A VAL 110.A N ILE 113.A O no hydrogen 3.174 N/A GLY 112.A N LEU 69.A O no hydrogen 3.306 N/A ILE 113.A N VAL 110.A O no hydrogen 3.082 N/A ARG 115.A N SER 108.A O no hydrogen 3.038 N/A ILE 116.A N GLN 329.A O no hydrogen 2.826 N/A ILE 118.A N LEU 327.A O no hydrogen 3.080 N/A ASN 119.A ND2 ARG 268.A O no hydrogen 3.660 N/A GLN 120.A N ARG 268.A O no hydrogen 3.268 N/A GLN 120.A NE2 PRO 351.A O no hydrogen 3.219 N/A ILE 121.A N SER 347.A O no hydrogen 3.000 N/A LEU 122.A N ARG 266.A O no hydrogen 3.015 N/A GLN 123.A NE2 MET 259.A O no hydrogen 3.397 N/A SER 124.A N ASN 264.A O no hydrogen 2.837 N/A SER 124.A OG PRO 125.A O no hydrogen 3.458 N/A GLY 126.A N ILE 146.A O no hydrogen 3.156 N/A TYR 128.A N THR 144.A O no hydrogen 2.862 N/A TYR 128.A OH SER 124.A O no hydrogen 2.662 N/A TYR 129.A OH ALA 242.A O no hydrogen 2.774 N/A SER 131.A OG VAL 140.A O no hydrogen 2.879 N/A GLU 132.A N VAL 140.A O no hydrogen 2.688 N/A VAL 140.A N GLU 132.A O no hydrogen 2.697 N/A THR 142.A N ARG 130.A O no hydrogen 2.887 N/A THR 142.A OG1 LEU 155.A O no hydrogen 3.061 N/A GLY 143.A N LEU 155.A O no hydrogen 2.715 N/A ILE 145.A N SER 153.A O no hydrogen 3.422 N/A ILE 146.A N GLY 126.A O no hydrogen 2.711 N/A SER 147.A N GLY 151.A O no hydrogen 3.299 N/A SER 147.A OG GLN 207.A O no hydrogen 2.767 N/A SER 147.A OG GLU 210.A O no hydrogen 2.862 N/A ASP 148.A N GLU 210.A O no hydrogen 3.365 N/A ARG 152.A NE GLU 154.A OE2 no hydrogen 3.378 N/A SER 153.A N ILE 145.A O no hydrogen 3.393 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.954 N/A LEU 155.A N GLY 143.A O no hydrogen 2.825 N/A GLU 156.A N TRP 164.A O no hydrogen 2.731 N/A ILE 157.A N TYR 141.A O no hydrogen 3.278 N/A TRP 164.A N GLU 156.A O no hydrogen 2.954 N/A ARG 166.A N GLU 154.A O no hydrogen 3.235 N/A LYS 170.A N SER 168.A OG no hydrogen 3.309 N/A LEU 178.A N SER 174.A O no hydrogen 3.170 N/A SER 179.A N ILE 175.A O no hydrogen 2.913 N/A SER 180.A N LEU 176.A O no hydrogen 2.883 N/A ALA 181.A N VAL 177.A O no hydrogen 2.904 N/A MET 182.A N LEU 178.A O no hydrogen 2.902 N/A GLY 183.A N SER 179.A O no hydrogen 3.153 N/A GLY 183.A N SER 180.A O no hydrogen 3.238 N/A LEU 184.A N SER 179.A O no hydrogen 2.999 N/A GLU 191.A N ARG 187.A O no hydrogen 2.933 N/A ASN 192.A N GLU 188.A O no hydrogen 2.890 N/A VAL 193.A N ILE 189.A O no hydrogen 3.147 N/A ILE 198.A N TYR 195.A O no hydrogen 3.236 N/A LEU 200.A N PRO 196.A O no hydrogen 2.878 N/A SER 201.A N GLU 197.A O no hydrogen 2.893 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.705 N/A ARG 208.A N PHE 204.A O no hydrogen 3.199 N/A ARG 208.A NH1 ARG 152.A O no hydrogen 2.817 N/A ARG 208.A NH1 SER 153.A OG no hydrogen 3.371 N/A CYS 209.A N PHE 205.A O no hydrogen 3.314 N/A GLU 210.A N GLN 207.A O no hydrogen 3.247 N/A ARG 213.A NH2 HIS 399.A O no hydrogen 3.118 N/A ARG 216.A N GLY 212.A O no hydrogen 2.797 N/A ARG 216.A NE ARG 216.A O no hydrogen 3.335 N/A ARG 216.A NH1 ASN 231.A O no hydrogen 3.432 N/A ARG 216.A NH1 ASP 238.A OD2 no hydrogen 3.183 N/A ARG 216.A NH2 ASP 238.A OD2 no hydrogen 2.917 N/A ARG 217.A N ARG 213.A O no hydrogen 2.996 N/A ASN 218.A N ILE 214.A O no hydrogen 2.961 N/A ASN 218.A ND2 PRO 125.A O no hydrogen 3.173 N/A MET 219.A N GLY 215.A O no hydrogen 2.956 N/A ASN 220.A N ARG 216.A O no hydrogen 3.014 N/A ARG 221.A N ARG 217.A O no hydrogen 2.941 N/A ARG 221.A NH2 ASN 218.A OD1 no hydrogen 3.247 N/A ARG 222.A N ASN 218.A O no hydrogen 3.029 N/A ARG 222.A NH2 ALA 255.A O no hydrogen 2.937 N/A ARG 222.A NH2 ASP 257.A OD2 no hydrogen 3.302 N/A LEU 223.A N MET 219.A O no hydrogen 3.014 N/A ASN 231.A N PRO 228.A O no hydrogen 3.169 N/A THR 232.A N ASN 230.A O no hydrogen 2.737 N/A PHE 233.A N ASN 231.A O no hydrogen 2.883 N/A LEU 235.A N ASP 238.A OD2 no hydrogen 2.999 N/A ASP 238.A N LEU 235.A O no hydrogen 3.152 N/A ILE 239.A N LEU 235.A O no hydrogen 3.466 N/A LEU 240.A N PRO 236.A O no hydrogen 2.819 N/A ALA 241.A N ARG 237.A O no hydrogen 2.819 N/A ALA 242.A N ASP 238.A O no hydrogen 2.868 N/A ALA 243.A N ILE 239.A O no hydrogen 2.902 N/A ASP 244.A N LEU 240.A O no hydrogen 2.950 N/A HIS 245.A N ALA 241.A O no hydrogen 2.932 N/A HIS 245.A ND1 ALA 241.A O no hydrogen 2.914 N/A LEU 246.A N ALA 242.A O no hydrogen 2.931 N/A ILE 247.A N ALA 243.A O no hydrogen 2.966 N/A GLY 248.A N ASP 244.A O no hydrogen 2.961 N/A LEU 249.A N HIS 245.A O no hydrogen 2.883 N/A LYS 250.A N ILE 247.A O no hydrogen 3.074 N/A PHE 251.A N GLY 248.A O no hydrogen 3.115 N/A GLY 252.A N LEU 249.A O no hydrogen 3.220 N/A MET 253.A N GLY 248.A O no hydrogen 3.089 N/A GLY 254.A N GLY 252.A O no hydrogen 3.024 N/A ASN 260.A N ASP 258.A OD1 no hydrogen 3.125 N/A HIS 261.A N ASP 258.A O no hydrogen 3.452 N/A LEU 262.A N SER 369.A OG no hydrogen 3.347 N/A LYS 263.A N HIS 261.A ND1 no hydrogen 3.271 N/A ASN 264.A N HIS 261.A O no hydrogen 3.105 N/A ASN 264.A ND2 ASP 258.A O no hydrogen 2.649 N/A LYS 265.A N LEU 262.A O no hydrogen 2.662 N/A LYS 265.A NZ MET 259.A O no hydrogen 2.791 N/A ARG 266.A N LEU 122.A O no hydrogen 2.662 N/A ARG 266.A NH1 GLN 123.A O no hydrogen 3.386 N/A ILE 267.A N GLY 401.A O no hydrogen 2.972 N/A ARG 268.A N GLN 120.A O no hydrogen 2.961 N/A SER 269.A N ASP 272.A OD1 no hydrogen 3.173 N/A LEU 273.A N SER 269.A O no hydrogen 3.355 N/A LEU 274.A N VAL 270.A O no hydrogen 2.905 N/A GLN 275.A N ALA 271.A O no hydrogen 2.896 N/A ASP 276.A N ASP 272.A O no hydrogen 3.311 N/A GLN 277.A N LEU 273.A O no hydrogen 2.944 N/A PHE 278.A N LEU 274.A O no hydrogen 2.869 N/A GLY 279.A N GLN 275.A O no hydrogen 2.922 N/A LEU 280.A N ASP 276.A O no hydrogen 2.938 N/A ALA 281.A N GLN 277.A O no hydrogen 2.900 N/A LEU 282.A N PHE 278.A O no hydrogen 2.867 N/A VAL 283.A N GLY 279.A O no hydrogen 2.938 N/A ARG 284.A N LEU 280.A O no hydrogen 2.957 N/A LEU 285.A N ALA 281.A O no hydrogen 2.867 N/A GLU 286.A N LEU 282.A O no hydrogen 2.881 N/A ASN 287.A N VAL 283.A O no hydrogen 2.983 N/A VAL 288.A N ARG 284.A O no hydrogen 2.918 N/A VAL 289.A N LEU 285.A O no hydrogen 2.866 N/A ARG 290.A N GLU 286.A O no hydrogen 2.935 N/A GLY 291.A N ASN 287.A O no hydrogen 2.935 N/A THR 292.A N VAL 288.A O no hydrogen 2.889 N/A ILE 293.A N VAL 289.A O no hydrogen 2.918 N/A CYS 294.A N ARG 290.A O no hydrogen 2.934 N/A GLY 295.A N GLY 291.A O no hydrogen 2.922 N/A ALA 296.A N THR 292.A O no hydrogen 2.876 N/A ILE 297.A N ILE 293.A O no hydrogen 2.935 N/A ARG 298.A N CYS 294.A O no hydrogen 3.156 N/A HIS 299.A N GLY 295.A O no hydrogen 2.924 N/A LYS 300.A N ILE 297.A O no hydrogen 3.336 N/A LYS 300.A NZ ARG 298.A O no hydrogen 3.337 N/A LEU 301.A N ALA 296.A O no hydrogen 3.165 N/A THR 304.A OG1 ASN 307.A OD1 no hydrogen 2.518 N/A GLN 306.A N GLN 306.A OE1 no hydrogen 2.705 N/A GLN 306.A NE2 THR 93.A O no hydrogen 2.374 N/A ASN 307.A N THR 304.A O no hydrogen 2.927 N/A LEU 308.A N PRO 305.A O no hydrogen 3.087 N/A VAL 309.A N PRO 305.A O no hydrogen 3.425 N/A THR 315.A OG1 SER 311.A O no hydrogen 3.198 N/A THR 316.A N THR 312.A O no hydrogen 2.919 N/A THR 317.A N PRO 313.A O no hydrogen 2.872 N/A THR 317.A OG1 PRO 313.A O no hydrogen 2.622 N/A TYR 318.A N LEU 314.A O no hydrogen 2.969 N/A GLU 319.A N THR 315.A O no hydrogen 2.907 N/A SER 320.A N THR 316.A O no hydrogen 2.893 N/A PHE 321.A N THR 317.A O no hydrogen 2.900 N/A PHE 322.A N TYR 318.A O no hydrogen 2.925 N/A GLY 323.A N GLU 319.A O no hydrogen 2.894 N/A LEU 324.A N SER 320.A O no hydrogen 2.896 N/A HIS 325.A N PHE 321.A O no hydrogen 3.068 N/A SER 328.A N HIS 325.A O no hydrogen 3.274 N/A SER 328.A OG PHE 322.A O no hydrogen 3.194 N/A GLN 329.A N ILE 116.A O no hydrogen 3.130 N/A LEU 331.A N TYR 114.A O no hydrogen 2.939 N/A ASP 332.A N HIS 342.A ND1 no hydrogen 3.218 N/A ASN 335.A N THR 338.A OG1 no hydrogen 3.284 N/A ASN 335.A ND2 ARG 503.A O no hydrogen 2.604 N/A ASN 335.A ND2 ALA 505.A O no hydrogen 3.250 N/A THR 338.A N ASN 335.A O no hydrogen 3.020 N/A THR 338.A N ASN 335.A OD1 no hydrogen 3.128 N/A THR 338.A OG1 ASP 332.A O no hydrogen 2.769 N/A THR 338.A OG1 ASN 335.A O no hydrogen 2.462 N/A GLN 339.A NE2 SER 528.A O no hydrogen 2.693 N/A VAL 341.A N LEU 337.A O no hydrogen 2.957 N/A HIS 342.A N THR 338.A O no hydrogen 2.905 N/A ARG 344.A NE PHE 10.A O no hydrogen 2.964 N/A ARG 344.A NH1 LEU 391.A O no hydrogen 3.113 N/A ARG 344.A NH2 ILE 393.A O no hydrogen 3.437 N/A LEU 346.A N GLY 389.A O no hydrogen 2.595 N/A SER 347.A N ASN 119.A O no hydrogen 2.906 N/A SER 347.A OG ASN 119.A O no hydrogen 2.871 N/A SER 347.A OG LEU 349.A O no hydrogen 3.538 N/A TYR 348.A N LEU 387.A O no hydrogen 2.891 N/A GLY 353.A N GLY 350.A O no hydrogen 2.970 N/A ALA 359.A N THR 355.A O no hydrogen 3.000 N/A ILE 363.A N SER 360.A O no hydrogen 3.093 N/A ARG 364.A N PHE 361.A O no hydrogen 3.061 N/A ARG 364.A NE VAL 385.A O no hydrogen 2.778 N/A ARG 364.A NH2 VAL 385.A O no hydrogen 3.038 N/A ASP 365.A N ARG 362.A O no hydrogen 3.374 N/A HIS 367.A ND1 SER 369.A OG no hydrogen 2.869 N/A HIS 367.A NE2 ASP 258.A OD2 no hydrogen 2.735 N/A SER 369.A N HIS 367.A ND1 no hydrogen 3.171 N/A SER 369.A OG HIS 367.A ND1 no hydrogen 2.869 N/A SER 369.A OG HIS 370.A ND1 no hydrogen 3.333 N/A HIS 370.A N HIS 367.A O no hydrogen 2.702 N/A TYR 371.A N PRO 368.A O no hydrogen 3.440 N/A ARG 373.A N HIS 370.A O no hydrogen 3.318 N/A ARG 373.A NE LEU 403.A O no hydrogen 3.339 N/A ARG 373.A NH2 LEU 422.A O no hydrogen 2.694 N/A ILE 374.A N HIS 370.A O no hydrogen 3.047 N/A VAL 385.A N GLY 382.A O no hydrogen 3.358 N/A LEU 387.A N ASN 384.A O no hydrogen 3.144 N/A GLY 389.A N LEU 346.A O no hydrogen 3.009 N/A ALA 392.A N ARG 373.A O no hydrogen 3.401 N/A ILE 393.A N PHE 477.A O no hydrogen 3.193 N/A ALA 395.A N ALA 392.A O no hydrogen 3.410 N/A ARG 396.A N GLU 404.A O no hydrogen 3.099 N/A GLY 398.A N SER 402.A O no hydrogen 2.737 N/A GLY 401.A N GLY 398.A O no hydrogen 3.133 N/A GLU 404.A N ARG 396.A O no hydrogen 2.760 N/A SER 405.A N LEU 422.A O no hydrogen 3.211 N/A SER 405.A OG GLY 372.A O no hydrogen 3.022 N/A SER 405.A OG GLN 475.A OE1 no hydrogen 3.221 N/A PHE 407.A N LEU 420.A O no hydrogen 2.917 N/A TYR 408.A N ARG 469.A O no hydrogen 3.087 N/A GLU 409.A N ARG 418.A O no hydrogen 3.182 N/A ILE 410.A N HIS 467.A O no hydrogen 3.268 N/A LEU 420.A N PHE 407.A O no hydrogen 3.266 N/A TYR 421.A OH GLY 3.A O no hydrogen 3.043 N/A SER 423.A OG GLU 404.A OE1 no hydrogen 3.091 N/A ARG 426.A N SER 423.A O no hydrogen 3.269 N/A ASP 427.A N SER 423.A O no hydrogen 3.400 N/A TYR 429.A N ARG 426.A O no hydrogen 3.296 N/A VAL 432.A N ARG 453.A O no hydrogen 3.132 N/A ALA 433.A N LEU 468.A O no hydrogen 3.199 N/A GLU 447.A N ILE 444.A O no hydrogen 2.982 N/A GLN 448.A N GLN 445.A O no hydrogen 3.111 N/A GLN 448.A NE2 ASN 441.A OD1 no hydrogen 2.905 N/A VAL 450.A N ILE 461.A O no hydrogen 2.948 N/A ALA 452.A N LEU 459.A O no hydrogen 2.745 N/A ARG 453.A N VAL 432.A O no hydrogen 2.815 N/A TYR 454.A N GLU 457.A O no hydrogen 3.174 N/A ARG 455.A N GLU 428.A O no hydrogen 3.214 N/A LEU 459.A N ALA 452.A O no hydrogen 3.105 N/A ILE 461.A N VAL 450.A O no hydrogen 3.241 N/A TRP 463.A N GLN 448.A O no hydrogen 2.965 N/A GLN 465.A N ALA 462.A O no hydrogen 3.265 N/A HIS 467.A N MET 431.A O no hydrogen 3.020 N/A LEU 468.A N MET 431.A O no hydrogen 3.063 N/A ARG 469.A N TYR 408.A O no hydrogen 2.954 N/A SER 470.A OG TYR 476.A OH no hydrogen 3.398 N/A TYR 476.A OH SER 470.A OG no hydrogen 3.398 N/A SER 478.A OG LEU 391.A O no hydrogen 2.957 N/A SER 482.A N SER 478.A O no hydrogen 2.884 N/A SER 482.A OG SER 478.A O no hydrogen 2.752 N/A ILE 484.A N ALA 481.A O no hydrogen 3.175 N/A HIS 489.A N PHE 486.A O no hydrogen 3.316 N/A HIS 489.A NE2 GLU 818.A OE2 no hydrogen 2.980 N/A HIS 489.A NE2 SER 825.A OG no hydrogen 3.071 N/A ASN 490.A N ILE 487.A O no hydrogen 3.287 N/A ASN 490.A ND2 HIS 753.A ND1 no hydrogen 2.832 N/A ASP 491.A N MET 790.A O no hydrogen 3.229 N/A ALA 492.A N ASP 491.A OD1 no hydrogen 2.630 N/A ASN 493.A ND2 ASP 491.A OD1 no hydrogen 3.459 N/A ASN 493.A ND2 ASP 491.A OD2 no hydrogen 2.987 N/A ARG 494.A NE GLY 754.A O no hydrogen 3.274 N/A ALA 495.A N ALA 492.A O no hydrogen 3.298 N/A SER 498.A N ARG 494.A O no hydrogen 2.914 N/A SER 498.A OG ARG 752.A O no hydrogen 2.451 N/A SER 499.A N ALA 495.A O no hydrogen 2.899 N/A SER 499.A OG ALA 495.A O no hydrogen 2.911 N/A ASN 500.A N LEU 496.A O no hydrogen 2.915 N/A MET 501.A N MET 497.A O no hydrogen 2.898 N/A GLN 502.A N SER 498.A O no hydrogen 2.912 N/A GLN 502.A NE2 GLY 480.A O no hydrogen 2.954 N/A ARG 503.A NE ASN 500.A O no hydrogen 3.542 N/A GLN 504.A N MET 501.A O no hydrogen 3.223 N/A VAL 506.A N LYS 878.A O no hydrogen 3.049 N/A SER 509.A N THR 637.A O no hydrogen 2.873 N/A CYS 514.A SG VAL 516.A O no hydrogen 3.270 N/A GLY 517.A N TYR 811.A O no hydrogen 2.747 N/A THR 518.A N GLU 521.A OE2 no hydrogen 3.350 N/A THR 518.A OG1 SER 482.A O no hydrogen 2.923 N/A GLY 519.A N GLU 521.A OE1 no hydrogen 3.209 N/A GLU 521.A N GLU 521.A OE1 no hydrogen 2.820 N/A GLN 523.A NE2 ILE 7.A O no hydrogen 3.154 N/A GLN 523.A NE2 ASP 527.A OD2 no hydrogen 3.473 N/A ALA 524.A N LEU 520.A O no hydrogen 2.986 N/A ALA 525.A N GLU 521.A O no hydrogen 2.900 N/A LEU 526.A N ARG 522.A O no hydrogen 2.917 N/A ASP 527.A N GLN 523.A O no hydrogen 2.890 N/A SER 528.A OG ALA 525.A O no hydrogen 2.880 N/A ALA 532.A N ALA 592.A O no hydrogen 3.459 N/A ALA 534.A N GLN 589.A O no hydrogen 3.197 N/A GLU 537.A N GLU 537.A OE1 no hydrogen 2.726 N/A GLY 538.A N ILE 585.A O no hydrogen 3.394 N/A ARG 539.A N ALA 551.A O no hydrogen 2.795 N/A VAL 541.A N LEU 549.A O no hydrogen 3.276 N/A ASN 544.A N LYS 547.A O no hydrogen 3.198 N/A THR 545.A N ASN 544.A OD1 no hydrogen 2.838 N/A ILE 548.A N ILE 559.A O no hydrogen 2.992 N/A LEU 549.A N TYR 542.A O no hydrogen 3.121 N/A LEU 550.A N LEU 557.A O no hydrogen 2.795 N/A ALA 551.A N ARG 539.A O no hydrogen 2.732 N/A GLY 552.A N ASP 555.A O no hydrogen 2.632 N/A ASP 555.A N GLY 552.A O no hydrogen 2.651 N/A LEU 557.A N LEU 550.A O no hydrogen 2.783 N/A ILE 559.A N ILE 548.A O no hydrogen 2.904 N/A LEU 561.A N ASP 546.A O no hydrogen 2.880 N/A GLN 565.A N MET 573.A O no hydrogen 2.793 N/A ARG 566.A NE ILE 641.A O no hydrogen 3.075 N/A SER 567.A N THR 571.A O no hydrogen 3.015 N/A SER 567.A OG ARG 333.A O no hydrogen 3.342 N/A SER 567.A OG THR 571.A O no hydrogen 2.847 N/A SER 567.A OG THR 571.A OG1 no hydrogen 2.249 N/A LYS 569.A NZ ASP 332.A OD1 no hydrogen 3.538 N/A THR 571.A N SER 567.A OG no hydrogen 2.937 N/A THR 571.A OG1 ARG 333.A O no hydrogen 3.140 N/A THR 571.A OG1 THR 334.A O no hydrogen 3.478 N/A THR 571.A OG1 SER 567.A OG no hydrogen 2.249 N/A CYS 572.A SG GLN 565.A O no hydrogen 3.866 N/A MET 573.A N GLN 565.A O no hydrogen 3.265 N/A GLN 575.A N VAL 562.A O no hydrogen 2.956 N/A LYS 576.A N ASP 593.A O no hydrogen 2.778 N/A GLN 578.A N LEU 591.A O no hydrogen 3.197 N/A VAL 579.A N LEU 591.A O no hydrogen 3.464 N/A GLY 582.A N VAL 540.A O no hydrogen 3.051 N/A ILE 585.A N GLY 538.A O no hydrogen 3.137 N/A LEU 591.A N ALA 532.A O no hydrogen 2.553 N/A ASP 593.A N LYS 576.A O no hydrogen 2.672 N/A THR 597.A OG1 ALA 595.A O no hydrogen 3.450 N/A THR 597.A OG1 ALA 596.A O no hydrogen 2.771 N/A VAL 598.A N GLU 601.A O no hydrogen 3.288 N/A GLY 599.A N ASP 593.A OD2 no hydrogen 2.629 N/A GLU 601.A N VAL 598.A O no hydrogen 3.430 N/A LEU 602.A N GLU 521.A O no hydrogen 3.304 N/A ALA 603.A N ALA 596.A O no hydrogen 2.936 N/A GLY 605.A N TYR 875.A OH no hydrogen 2.929 N/A LYS 606.A N ILE 876.A O no hydrogen 3.040 N/A LYS 606.A NZ ARG 510.A O no hydrogen 2.346 N/A LYS 606.A NZ ILE 635.A O no hydrogen 3.563 N/A ASN 607.A ND2 LYS 513.A O no hydrogen 2.693 N/A LEU 609.A N ASP 778.A OD2 no hydrogen 3.436 N/A VAL 610.A N GLY 872.A O no hydrogen 2.790 N/A ALA 611.A N MET 779.A O no hydrogen 3.176 N/A TYR 612.A N ILE 870.A O no hydrogen 3.327 N/A TYR 612.A OH GLN 794.A OE1 no hydrogen 3.184 N/A MET 613.A N PHE 781.A O no hydrogen 3.056 N/A TYR 618.A N TRP 615.A O no hydrogen 3.010 N/A ASN 619.A ND2 MET 613.A O no hydrogen 2.873 N/A SER 620.A N GLY 617.A O no hydrogen 3.164 N/A SER 620.A OG GLU 621.A OE2 no hydrogen 2.844 N/A VAL 624.A N ILE 758.A O no hydrogen 3.194 N/A LEU 625.A N VAL 780.A O no hydrogen 3.522 N/A ILE 626.A N LYS 761.A O no hydrogen 3.214 N/A SER 627.A N ASP 778.A O no hydrogen 2.945 N/A ARG 629.A NE ASP 778.A OD1 no hydrogen 3.293 N/A ARG 629.A NH2 ASP 778.A OD2 no hydrogen 2.343 N/A VAL 631.A N GLU 628.A O no hydrogen 2.904 N/A TYR 632.A N GLU 628.A O no hydrogen 2.924 N/A GLU 633.A N ARG 629.A O no hydrogen 3.124 N/A ASP 634.A N VAL 631.A O no hydrogen 3.433 N/A ILE 635.A N LEU 630.A O no hydrogen 3.342 N/A THR 637.A OG1 GLU 742.A OE1 no hydrogen 2.742 N/A THR 637.A OG1 GLU 742.A OE2 no hydrogen 3.027 N/A SER 638.A N ARG 741.A O no hydrogen 3.008 N/A SER 638.A OG HIS 640.A NE2 no hydrogen 2.941 N/A HIS 640.A N GLN 739.A O no hydrogen 3.039 N/A HIS 640.A ND1 ASN 570.A O no hydrogen 3.229 N/A HIS 640.A NE2 SER 638.A OG no hydrogen 2.941 N/A ARG 642.A N ILE 737.A O no hydrogen 3.182 N/A LYS 643.A NZ GLU 645.A OE1 no hydrogen 3.510 N/A TYR 644.A N VAL 735.A O no hydrogen 3.104 N/A THR 648.A N GLU 731.A O no hydrogen 2.882 N/A THR 648.A OG1 GLU 731.A O no hydrogen 3.140 N/A THR 651.A OG1 GLY 654.A O no hydrogen 2.352 N/A GLY 654.A N THR 651.A OG1 no hydrogen 3.143 N/A ASN 660.A ND2 ASP 674.A O no hydrogen 3.464 N/A ARG 671.A NE ASN 672.A OD1 no hydrogen 3.155 N/A ASP 674.A N ILE 678.A O no hydrogen 3.003 N/A ILE 678.A N ASN 676.A O no hydrogen 2.733 N/A MET 680.A N ASN 672.A O no hydrogen 3.296 N/A GLY 682.A N VAL 714.A O no hydrogen 2.797 N/A THR 687.A OG1 PRO 707.A O no hydrogen 3.436 N/A GLY 688.A N LEU 706.A O no hydrogen 3.136 N/A ASP 689.A N GLU 686.A O no hydrogen 3.457 N/A LEU 691.A N LEU 704.A O no hydrogen 2.773 N/A LYS 694.A NZ ILE 646.A O no hydrogen 3.412 N/A LYS 694.A NZ GLU 656.A OE2 no hydrogen 3.242 N/A LEU 695.A N LYS 657.A O no hydrogen 2.707 N/A THR 696.A OG1 LEU 695.A O no hydrogen 2.824 N/A SER 699.A OG THR 696.A O no hydrogen 3.391 N/A LYS 700.A NZ THR 696.A O no hydrogen 3.057 N/A LYS 700.A NZ SER 699.A OG no hydrogen 2.934 N/A LEU 704.A N VAL 692.A O no hydrogen 2.969 N/A LEU 706.A N ASP 689.A O no hydrogen 3.270 N/A GLY 710.A N PRO 707.A O no hydrogen 3.434 N/A ARG 713.A N LEU 738.A O no hydrogen 3.303 N/A ARG 713.A NH1 GLY 682.A O no hydrogen 3.486 N/A VAL 714.A N SER 683.A O no hydrogen 3.142 N/A ILE 715.A N TYR 736.A O no hydrogen 3.007 N/A ARG 718.A N ARG 734.A O no hydrogen 2.985 N/A ILE 720.A N THR 732.A O no hydrogen 2.736 N/A GLU 731.A N THR 648.A OG1 no hydrogen 2.900 N/A THR 732.A N ILE 720.A O no hydrogen 2.759 N/A ARG 734.A N ARG 718.A O no hydrogen 3.102 N/A VAL 735.A N TYR 644.A O no hydrogen 2.966 N/A TYR 736.A N ASP 716.A O no hydrogen 3.209 N/A ILE 737.A N ARG 642.A O no hydrogen 3.216 N/A LEU 738.A N ARG 713.A O no hydrogen 2.949 N/A GLN 739.A N HIS 640.A O no hydrogen 2.832 N/A ARG 741.A N SER 638.A O no hydrogen 2.902 N/A ILE 743.A N GLU 742.A OE2 no hydrogen 3.325 N/A LYS 744.A N ASP 747.A OD2 no hydrogen 3.147 N/A LYS 744.A NZ GLU 742.A O no hydrogen 2.712 N/A GLY 746.A N ILE 759.A O no hydrogen 3.119 N/A ASP 747.A N LYS 744.A O no hydrogen 3.033 N/A VAL 749.A N GLY 757.A O no hydrogen 2.895 N/A ALA 750.A N LEU 877.A O no hydrogen 3.060 N/A GLY 751.A N ASN 755.A O no hydrogen 2.817 N/A ARG 752.A NH1 VAL 516.A O no hydrogen 3.053 N/A ARG 752.A NH2 VAL 516.A O no hydrogen 2.802 N/A ARG 752.A NH2 GLU 797.A OE2 no hydrogen 2.993 N/A HIS 753.A NE2 GLU 797.A OE1 no hydrogen 2.667 N/A GLY 754.A N GLY 751.A O no hydrogen 3.452 N/A GLY 757.A N VAL 749.A O no hydrogen 2.953 N/A ILE 759.A N ASP 747.A O no hydrogen 3.039 N/A SER 760.A N VAL 624.A O no hydrogen 2.930 N/A LYS 761.A NZ TYR 618.A OH no hydrogen 3.095 N/A LEU 763.A N ILE 626.A O no hydrogen 3.182 N/A MET 768.A N PRO 764.A O no hydrogen 3.297 N/A MET 768.A N ARG 765.A O no hydrogen 3.293 N/A LEU 771.A N ARG 775.A O no hydrogen 3.147 N/A GLN 772.A NE2 ARG 855.A O no hydrogen 3.213 N/A SER 776.A OG ARG 765.A O no hydrogen 2.819 N/A VAL 777.A N PRO 769.A O no hydrogen 2.990 N/A ASP 778.A N LEU 609.A O no hydrogen 2.991 N/A MET 779.A N LEU 609.A O no hydrogen 2.992 N/A VAL 780.A N LEU 625.A O no hydrogen 2.969 N/A PHE 781.A N ALA 611.A O no hydrogen 2.855 N/A LEU 784.A N ASN 782.A OD1 no hydrogen 3.143 N/A SER 788.A OG GLY 785.A O no hydrogen 2.627 N/A ARG 789.A N GLY 785.A O no hydrogen 2.912 N/A ARG 789.A NH1 ASN 791.A OD1 no hydrogen 2.552 N/A MET 790.A N VAL 786.A O no hydrogen 2.923 N/A VAL 792.A N HIS 489.A O no hydrogen 3.272 N/A GLY 793.A N ASN 490.A OD1 no hydrogen 2.877 N/A GLN 794.A NE2 ASN 791.A O no hydrogen 3.013 N/A ILE 795.A N VAL 792.A O no hydrogen 3.234 N/A GLU 797.A N GLY 793.A O no hydrogen 2.946 N/A CYS 798.A N GLN 794.A O no hydrogen 2.928 N/A CYS 798.A SG TYR 612.A OH no hydrogen 3.725 N/A CYS 798.A SG GLN 794.A O no hydrogen 3.149 N/A SER 799.A N ILE 795.A O no hydrogen 2.966 N/A SER 799.A OG ILE 795.A O no hydrogen 3.123 N/A LEU 800.A N PHE 796.A O no hydrogen 2.936 N/A GLY 801.A N GLU 797.A O no hydrogen 2.911 N/A LEU 802.A N CYS 798.A O no hydrogen 2.952 N/A ALA 803.A N SER 799.A O no hydrogen 2.963 N/A GLY 804.A N LEU 800.A O no hydrogen 2.912 N/A SER 805.A N GLY 801.A O no hydrogen 2.927 N/A SER 805.A OG GLY 801.A O no hydrogen 3.518 N/A SER 805.A OG LEU 802.A O no hydrogen 2.705 N/A LEU 806.A N LEU 802.A O no hydrogen 3.181 N/A LEU 807.A N ALA 803.A O no hydrogen 3.022 N/A ARG 809.A N GLY 804.A O no hydrogen 3.042 N/A ARG 809.A NH1 GLU 835.A OE1 no hydrogen 3.445 N/A ARG 809.A NH2 GLU 835.A OE2 no hydrogen 3.264 N/A TYR 811.A N ILE 515.A O no hydrogen 2.631 N/A TYR 811.A OH GLU 832.A OE2 no hydrogen 2.702 N/A ARG 812.A NE GLU 601.A OE1 no hydrogen 3.177 N/A ARG 812.A NH1 CYS 514.A O no hydrogen 2.901 N/A ARG 812.A NH1 ILE 515.A O no hydrogen 3.235 N/A ARG 812.A NH1 TYR 811.A O no hydrogen 3.347 N/A ARG 812.A NH2 CYS 514.A O no hydrogen 2.911 N/A ARG 812.A NH2 GLU 601.A OE1 no hydrogen 2.767 N/A ILE 813.A N GLY 517.A O no hydrogen 2.675 N/A PHE 816.A N GLU 488.A OE2 no hydrogen 3.077 N/A ARG 819.A NH1 PRO 815.A O no hydrogen 2.948 N/A ARG 819.A NH1 PHE 816.A O no hydrogen 2.654 N/A SER 825.A OG HIS 489.A NE2 no hydrogen 3.071 N/A SER 825.A OG ASP 817.A OD2 no hydrogen 2.605 N/A SER 825.A OG GLU 818.A OE2 no hydrogen 2.488 N/A LYS 827.A N GLU 823.A O no hydrogen 2.875 N/A LYS 827.A NZ GLU 821.A OE1 no hydrogen 2.746 N/A LYS 827.A NZ GLU 821.A OE2 no hydrogen 3.223 N/A LEU 828.A N ALA 824.A O no hydrogen 2.914 N/A VAL 829.A N SER 825.A O no hydrogen 2.905 N/A PHE 830.A N ARG 826.A O no hydrogen 2.925 N/A SER 831.A N LYS 827.A O no hydrogen 2.886 N/A SER 831.A OG LYS 827.A O no hydrogen 2.666 N/A GLU 832.A N LEU 828.A O no hydrogen 2.988 N/A LEU 833.A N VAL 829.A O no hydrogen 3.064 N/A TYR 834.A N PHE 830.A O no hydrogen 3.006 N/A GLU 835.A N SER 831.A O no hydrogen 3.117 N/A ALA 836.A N GLU 832.A O no hydrogen 3.100 N/A SER 837.A N LEU 833.A O no hydrogen 3.011 N/A SER 837.A OG ASN 842.A O no hydrogen 3.156 N/A LYS 838.A N TYR 834.A O no hydrogen 2.886 N/A GLN 839.A N GLU 835.A O no hydrogen 2.871 N/A THR 840.A N ALA 836.A O no hydrogen 3.066 N/A THR 840.A OG1 ALA 836.A O no hydrogen 3.169 N/A ASN 842.A N THR 840.A O no hydrogen 2.660 N/A VAL 845.A N ASN 842.A O no hydrogen 3.433 N/A GLU 849.A N GLU 849.A OE1 no hydrogen 2.718 N/A LYS 853.A N TYR 850.A O no hydrogen 3.165 N/A SER 854.A N VAL 869.A O no hydrogen 2.970 N/A SER 854.A OG TRP 844.A O no hydrogen 2.883 N/A ARG 855.A NH1 PHE 865.A O no hydrogen 2.567 N/A PHE 857.A N TYR 770.A O no hydrogen 3.072 N/A ASP 858.A N ASN 863.A O no hydrogen 3.170 N/A ARG 860.A N ASP 858.A OD1 no hydrogen 2.908 N/A ARG 860.A NE ASP 858.A OD1 no hydrogen 3.438 N/A ARG 860.A NH2 GLU 616.A OE2 no hydrogen 3.053 N/A ARG 860.A NH2 ASP 858.A OD2 no hydrogen 3.176 N/A THR 861.A OG1 ASN 863.A OD1 no hydrogen 3.521 N/A ASN 863.A N THR 861.A OG1 no hydrogen 3.404 N/A PHE 865.A N ILE 856.A O no hydrogen 3.273 N/A VAL 869.A N SER 854.A O no hydrogen 2.768 N/A GLY 872.A N VAL 610.A O no hydrogen 3.150 N/A LYS 873.A N CYS 798.A O no hydrogen 3.204 N/A TYR 875.A N GLU 797.A OE2 no hydrogen 2.889 N/A TYR 875.A OH GLU 512.A O no hydrogen 2.831 N/A ILE 876.A N LYS 606.A O no hydrogen 2.985 N/A LEU 877.A N ALA 750.A O no hydrogen 2.783 N/A LYS 878.A NZ TYR 636.A O no hydrogen 2.994 N/A LYS 878.A NZ SER 638.A OG no hydrogen 3.191 N/A LYS 878.A NZ GLN 882.A OE1 no hydrogen 3.447 N/A LEU 879.A N LYS 748.A O no hydrogen 3.166 N/A ILE 880.A N GLN 504.A O no hydrogen 2.828 N/A GLN 882.A NE2 ILE 880.A O no hydrogen 3.169 N/A VAL 883.A N ASP 747.A OD1 no hydrogen 3.299 N/A LYS 886.A N GLN 882.A O no hydrogen 3.323 N/A LYS 886.A N VAL 883.A O no hydrogen 2.873 N/A HIS 888.A NE2 GLY 910.A O no hydrogen 2.370 N/A ARG 890.A NH1 HIS 894.A O no hydrogen 3.488 N/A ARG 890.A NH2 HIS 894.A O no hydrogen 2.689 N/A ALA 896.A N GLN 901.A O no hydrogen 2.979 N/A GLN 900.A NE2 LEU 897.A O no hydrogen 3.086 N/A GLN 901.A N THR 899.A OG1 no hydrogen 3.232 N/A GLN 901.A NE2 ASP 940.A OD2 no hydrogen 3.355 N/A ARG 906.A NH1 ILE 887.A O no hydrogen 2.736 N/A GLN 909.A N ARG 906.A O no hydrogen 3.193 N/A GLY 910.A N GLY 905.A O no hydrogen 3.295 N/A GLU 916.A N GLU 916.A OE1 no hydrogen 2.655 N/A GLU 918.A N GLY 915.A O no hydrogen 3.220 N/A VAL 919.A N GLY 915.A O no hydrogen 3.092 N/A TRP 920.A N GLU 916.A O no hydrogen 3.074 N/A LEU 922.A N GLU 918.A O no hydrogen 2.923 N/A GLU 923.A N VAL 919.A O no hydrogen 2.889 N/A GLY 924.A N TRP 920.A O no hydrogen 2.887 N/A PHE 925.A N ALA 921.A O no hydrogen 2.917 N/A GLY 926.A N LEU 922.A O no hydrogen 3.104 N/A GLY 926.A N GLU 923.A O no hydrogen 3.214 N/A VAL 927.A N LEU 922.A O no hydrogen 3.237 N/A LEU 931.A N VAL 927.A O no hydrogen 3.375 N/A GLN 932.A N ALA 928.A O no hydrogen 2.902 N/A GLU 933.A N HIS 929.A O no hydrogen 2.882 N/A MET 934.A N ILE 930.A O no hydrogen 2.963 N/A LEU 935.A N LEU 931.A O no hydrogen 2.885 N/A THR 936.A N GLN 932.A O no hydrogen 2.914 N/A THR 936.A N GLU 933.A O no hydrogen 3.300 N/A THR 936.A OG1 GLN 932.A O no hydrogen 2.693 N/A TYR 937.A N GLU 933.A O no hydrogen 2.975 N/A LYS 938.A N GLU 933.A O no hydrogen 3.114 N/A SER 939.A OG MET 934.A O no hydrogen 2.308 N/A ASP 940.A N THR 936.A O no hydrogen 2.920 N/A HIS 941.A N THR 936.A O no hydrogen 2.537 N/A ARG 945.A N HIS 941.A O no hydrogen 2.778 N/A ARG 945.A NH1 GLN 900.A O no hydrogen 2.811 N/A ARG 945.A NH2 GLN 900.A OE1 no hydrogen 2.833 N/A GLN 946.A N ILE 942.A O no hydrogen 2.864 N/A GLN 946.A NE2 ARG 943.A O no hydrogen 3.339 N/A GLU 947.A N ARG 943.A O no hydrogen 2.899 N/A VAL 948.A N ALA 944.A O no hydrogen 2.838 N/A VAL 948.A N ARG 945.A O no hydrogen 3.204 N/A THR 951.A N GLU 947.A O no hydrogen 2.906 N/A THR 951.A OG1 GLU 947.A O no hydrogen 2.886 N/A THR 951.A OG1 VAL 948.A O no hydrogen 2.802 N/A THR 952.A N VAL 948.A O no hydrogen 2.888 N/A THR 952.A OG1 VAL 948.A O no hydrogen 2.552 N/A ILE 953.A N LEU 949.A O no hydrogen 2.911 N/A ILE 954.A N GLY 950.A O no hydrogen 2.907 N/A GLY 955.A N THR 951.A O no hydrogen 2.755 N/A ARG 969.A N PRO 965.A O no hydrogen 3.228 N/A LEU 970.A N GLU 966.A O no hydrogen 2.933 N/A LEU 971.A N SER 967.A O no hydrogen 3.079 N/A VAL 972.A N PHE 968.A O no hydrogen 2.959 N/A ARG 973.A N ARG 969.A O no hydrogen 3.040 N/A GLU 974.A N LEU 970.A O no hydrogen 2.865 N/A LEU 975.A N LEU 971.A O no hydrogen 2.790 N/A ARG 976.A N VAL 972.A O no hydrogen 2.827 N/A SER 977.A N ARG 973.A O no hydrogen 2.937 N/A LEU 978.A N GLU 974.A O no hydrogen 2.877 N/A ALA 979.A N ARG 976.A O no hydrogen 3.048 N/A LEU 980.A N LEU 975.A O no hydrogen 2.598 N/A LEU 986.A N ASN 995.A O no hydrogen 3.093 N/A SER 988.A N GLN 993.A O no hydrogen 2.972 N/A SER 988.A OG GLN 993.A O no hydrogen 3.510 N/A GLU 989.A N GLU 989.A OE1 no hydrogen 2.674 N/A PHE 992.A N SER 988.A O no hydrogen 2.971 N/A GLN 993.A N SER 988.A OG no hydrogen 3.302 N/A ASN 995.A N LEU 986.A O no hydrogen 2.882 N/A LYS 997.A NZ GLU 962.A O no hydrogen 2.740 N/A