Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7xk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N GLN 180.A O no hydrogen 3.287 N/A GLN 6.A N TYR 181.A O no hydrogen 2.882 N/A ALA 8.A N THR 4.A O no hydrogen 3.259 N/A ARG 11.A N GLN 7.A O no hydrogen 2.906 N/A LEU 12.A N ALA 8.A O no hydrogen 2.873 N/A GLN 13.A N ILE 9.A O no hydrogen 2.907 N/A TYR 15.A OH LEU 93.A O no hydrogen 3.255 N/A ALA 17.A N GLN 13.A O no hydrogen 2.919 N/A SER 18.A N TYR 15.A O no hydrogen 2.871 N/A SER 18.A OG TYR 15.A O no hydrogen 2.717 N/A VAL 19.A N TYR 15.A O no hydrogen 3.420 N/A CYS 21.A N TRP 16.A O no hydrogen 3.151 N/A ALA 22.A N ASN 51.A O no hydrogen 2.919 N/A CYS 26.A SG SER 27.A O no hydrogen 3.734 N/A SER 27.A OG THR 29.A O no hydrogen 3.353 N/A THR 29.A OG1 ASP 236.A OD1 no hydrogen 3.164 N/A ASN 37.A ND2 TYR 54.A OH no hydrogen 3.096 N/A THR 40.A N ASN 37.A O no hydrogen 3.065 N/A THR 40.A OG1 TYR 54.A OH no hydrogen 3.092 N/A PHE 41.A N ASN 37.A O no hydrogen 3.108 N/A GLU 48.A N GLY 46.A O no hydrogen 3.012 N/A TRP 50.A N LYS 84.A O no hydrogen 2.912 N/A TRP 50.A NE1 LEU 39.A O no hydrogen 3.268 N/A VAL 52.A N ILE 82.A O no hydrogen 2.995 N/A TYR 54.A N GLN 80.A O no hydrogen 2.944 N/A TYR 54.A OH THR 40.A OG1 no hydrogen 3.092 N/A GLU 56.A N GLN 78.A O no hydrogen 2.927 N/A SER 58.A N HIS 76.A O no hydrogen 2.872 N/A SER 58.A OG HIS 76.A O no hydrogen 2.585 N/A ILE 59.A N VAL 31.A O no hydrogen 3.309 N/A ASP 63.A N ARG 60.A O no hydrogen 3.176 N/A SER 64.A N PRO 61.A O no hydrogen 3.251 N/A GLN 74.A NE2 GLU 195.A OE1 no hydrogen 3.391 N/A HIS 76.A N SER 58.A O no hydrogen 2.989 N/A GLN 78.A N GLU 56.A O no hydrogen 2.921 N/A PHE 79.A N TYR 161.A O no hydrogen 2.956 N/A GLN 80.A N TYR 54.A O no hydrogen 2.896 N/A VAL 81.A N ILE 159.A O no hydrogen 2.927 N/A ILE 82.A N VAL 52.A O no hydrogen 2.860 N/A LEU 83.A N VAL 157.A O no hydrogen 2.927 N/A LYS 84.A N TRP 50.A O no hydrogen 2.911 N/A LYS 84.A N ASN 51.A OD1 no hydrogen 3.439 N/A LYS 84.A NZ ARG 43.A O no hydrogen 3.434 N/A LYS 84.A NZ VAL 44.A O no hydrogen 2.475 N/A LYS 84.A NZ GLY 46.A O no hydrogen 2.894 N/A ASP 86.A N ASP 86.A OD1 no hydrogen 2.311 N/A ASP 92.A N ASN 89.A O no hydrogen 3.195 N/A LEU 93.A N ASN 89.A O no hydrogen 3.112 N/A HIS 96.A N ASP 92.A O no hydrogen 2.958 N/A SER 97.A N LEU 93.A O no hydrogen 2.896 N/A SER 97.A OG PHE 94.A O no hydrogen 2.898 N/A SER 97.A OG TYR 161.A OH no hydrogen 2.780 N/A LEU 98.A N PHE 94.A O no hydrogen 2.889 N/A SER 99.A N LEU 95.A O no hydrogen 2.918 N/A ALA 100.A N HIS 96.A O no hydrogen 2.907 N/A LEU 101.A N SER 97.A O no hydrogen 2.888 N/A VAL 105.A N ASN 104.A OD1 no hydrogen 2.562 N/A ARG 106.A N ASN 104.A OD1 no hydrogen 3.184 N/A ASP 109.A N ASP 134.A OD1 no hydrogen 3.260 N/A ARG 111.A N TRP 132.A O no hydrogen 2.965 N/A ARG 111.A NH2 VAL 598.A O no hydrogen 3.264 N/A VAL 113.A N GLU 130.A O no hydrogen 2.964 N/A ASP 115.A N GLY 128.A O no hydrogen 3.015 N/A SER 119.A N ALA 124.A O no hydrogen 3.178 N/A GLY 123.A N SER 119.A O no hydrogen 3.164 N/A ALA 124.A N SER 119.A O no hydrogen 3.409 N/A TRP 125.A N GLN 146.A O no hydrogen 3.365 N/A TRP 125.A NE1 GLN 146.A OE1 no hydrogen 2.886 N/A LEU 127.A N TYR 143.A O no hydrogen 2.956 N/A TRP 129.A N PHE 141.A O no hydrogen 2.888 N/A GLU 130.A N VAL 113.A O no hydrogen 2.880 N/A VAL 131.A N THR 139.A O no hydrogen 2.927 N/A TRP 132.A N ARG 111.A O no hydrogen 2.865 N/A TRP 132.A NE1 GLU 130.A OE2 no hydrogen 2.963 N/A MET 133.A N MET 136.A O no hydrogen 2.965 N/A ASP 134.A N ASP 109.A O no hydrogen 3.385 N/A MET 136.A N MET 133.A O no hydrogen 3.192 N/A ILE 138.A N VAL 131.A O no hydrogen 3.315 N/A GLN 140.A N THR 160.A O no hydrogen 2.949 N/A GLN 140.A NE2 ASP 115.A OD2 no hydrogen 3.329 N/A PHE 141.A N TRP 129.A O no hydrogen 2.921 N/A THR 142.A N GLU 158.A O no hydrogen 2.959 N/A TYR 143.A N LEU 127.A O no hydrogen 2.852 N/A PHE 144.A N SER 156.A O no hydrogen 2.933 N/A GLN 145.A N TRP 125.A O no hydrogen 2.942 N/A SER 147.A N LEU 150.A O no hydrogen 3.390 N/A LEU 152.A N GLN 145.A O no hydrogen 3.516 N/A VAL 157.A N LEU 83.A O no hydrogen 2.918 N/A GLU 158.A N THR 142.A O no hydrogen 2.878 N/A ILE 159.A N VAL 81.A O no hydrogen 2.903 N/A THR 160.A N GLN 140.A O no hydrogen 2.907 N/A THR 160.A OG1 GLU 158.A OE2 no hydrogen 3.232 N/A TYR 161.A N PHE 79.A O no hydrogen 2.867 N/A TYR 161.A OH SER 97.A OG no hydrogen 2.780 N/A GLY 162.A N ILE 138.A O no hydrogen 3.182 N/A ARG 165.A NH1 GLU 137.A O no hydrogen 2.241 N/A SER 169.A N ARG 165.A O no hydrogen 2.907 N/A LEU 170.A N ILE 166.A O no hydrogen 2.890 N/A LEU 170.A N LEU 167.A O no hydrogen 3.144 N/A GLN 171.A N LEU 167.A O no hydrogen 2.901 N/A HIS 175.A N ASP 174.A OD1 no hydrogen 2.619 N/A PHE 176.A N HIS 175.A ND1 no hydrogen 2.965 N/A LYS 177.A NZ GLU 189.A OE2 no hydrogen 3.190 N/A ILE 179.A N PHE 176.A O no hydrogen 3.249 N/A GLN 180.A NE2 GLN 171.A OE1 no hydrogen 3.624 N/A THR 182.A N ILE 185.A O no hydrogen 3.272 N/A LYS 183.A NZ GLN 7.A OE1 no hydrogen 2.456 N/A ILE 185.A N THR 182.A O no hydrogen 3.276 N/A THR 186.A OG1 GLU 189.A OE1 no hydrogen 2.249 N/A TYR 187.A N ILE 179.A O no hydrogen 2.806 N/A GLY 188.A N LYS 177.A O no hydrogen 3.235 N/A GLU 195.A N LEU 192.A O no hydrogen 3.046 N/A LYS 196.A N LEU 192.A O no hydrogen 2.890 N/A LYS 196.A NZ TYR 66.A O no hydrogen 3.280 N/A SER 199.A N GLU 195.A O no hydrogen 2.882 N/A SER 199.A OG GLU 195.A O no hydrogen 3.113 N/A SER 199.A OG LYS 196.A O no hydrogen 2.588 N/A ALA 200.A N LYS 196.A O no hydrogen 3.057 N/A TYR 201.A N GLU 197.A O no hydrogen 2.979 N/A TYR 202.A N MET 198.A O no hydrogen 2.881 N/A LEU 203.A N ALA 200.A O no hydrogen 3.368 N/A GLU 204.A N ALA 200.A O no hydrogen 3.257 N/A LYS 213.A NZ ASP 209.A O no hydrogen 2.316 N/A HIS 214.A N ASN 210.A O no hydrogen 2.875 N/A HIS 214.A N ILE 211.A O no hydrogen 3.194 N/A HIS 214.A ND1 ASN 210.A O no hydrogen 2.630 N/A PHE 215.A N ILE 211.A O no hydrogen 2.945 N/A ASP 217.A N ASP 216.A OD1 no hydrogen 2.947 N/A PHE 218.A N HIS 214.A O no hydrogen 2.891 N/A GLU 219.A N PHE 215.A O no hydrogen 2.961 N/A GLU 220.A N ASP 216.A O no hydrogen 2.906 N/A GLU 221.A N ASP 217.A O no hydrogen 2.915 N/A ALA 222.A N PHE 218.A O no hydrogen 2.888 N/A ARG 223.A N GLU 219.A O no hydrogen 2.957 N/A ARG 223.A NE GLU 219.A OE2 no hydrogen 3.208 N/A ARG 223.A NH2 GLU 219.A OE2 no hydrogen 2.363 N/A SER 224.A N GLU 220.A O no hydrogen 2.913 N/A LEU 225.A N GLU 221.A O no hydrogen 2.905 N/A LEU 226.A N ALA 222.A O no hydrogen 2.892 N/A SER 227.A N ARG 223.A O no hydrogen 2.946 N/A SER 227.A OG ARG 223.A O no hydrogen 3.409 N/A SER 227.A OG SER 224.A O no hydrogen 2.452 N/A LEU 228.A N LEU 225.A O no hydrogen 3.095 N/A TRP 229.A N LEU 226.A O no hydrogen 3.281 N/A TYR 235.A N PRO 231.A O no hydrogen 2.919 N/A TYR 235.A OH MET 36.A O no hydrogen 3.059 N/A ASP 236.A N ILE 232.A O no hydrogen 2.885 N/A HIS 237.A N PRO 233.A O no hydrogen 2.947 N/A VAL 238.A N TYR 235.A O no hydrogen 3.070 N/A LEU 239.A N ASP 236.A O no hydrogen 3.241 N/A ALA 241.A N HIS 237.A O no hydrogen 2.923 N/A SER 242.A N VAL 238.A O no hydrogen 2.853 N/A HIS 243.A N LEU 239.A O no hydrogen 2.932 N/A ASN 246.A N SER 242.A O no hydrogen 3.419 N/A ILE 247.A N HIS 243.A O no hydrogen 2.962 N/A LEU 248.A N ALA 244.A O no hydrogen 2.886 N/A ASP 249.A N PHE 245.A O no hydrogen 2.914 N/A SER 250.A N ASN 246.A O no hydrogen 2.921 N/A SER 250.A OG TYR 202.A O no hydrogen 2.615 N/A ARG 251.A N ILE 247.A O no hydrogen 3.336 N/A GLY 252.A N LEU 248.A O no hydrogen 3.216 N/A THR 257.A OG1 GLU 258.A OE1 no hydrogen 3.077 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.565 N/A TYR 262.A N GLU 258.A O no hydrogen 2.932 N/A PHE 263.A N ARG 259.A O no hydrogen 2.956 N/A GLY 264.A N ALA 260.A O no hydrogen 2.887 N/A ARG 265.A N ARG 261.A O no hydrogen 2.927 N/A MET 266.A N TYR 262.A O no hydrogen 2.955 N/A ARG 267.A N PHE 263.A O no hydrogen 2.905 N/A SER 268.A N GLY 264.A O no hydrogen 2.913 N/A LEU 269.A N ARG 265.A O no hydrogen 2.976 N/A ALA 270.A N MET 266.A O no hydrogen 2.916 N/A ARG 271.A N ARG 267.A O no hydrogen 2.869 N/A GLN 272.A N SER 268.A O no hydrogen 2.967 N/A CYS 273.A N LEU 269.A O no hydrogen 2.923 N/A ALA 274.A N ALA 270.A O no hydrogen 2.892 N/A GLN 275.A N ARG 271.A O no hydrogen 3.494 N/A LEU 276.A N CYS 273.A O no hydrogen 3.342 N/A TRP 277.A N ALA 274.A O no hydrogen 3.209 N/A THR 280.A N LEU 276.A O no hydrogen 2.879 N/A THR 280.A OG1 LEU 276.A O no hydrogen 2.666 N/A ARG 281.A N TRP 277.A O no hydrogen 2.926 N/A ARG 281.A NH1 GLU 48.A OE2 no hydrogen 2.969 N/A GLU 282.A N VAL 278.A O no hydrogen 3.264 N/A LEU 284.A N ARG 281.A O no hydrogen 3.222 N/A GLY 285.A N GLU 282.A O no hydrogen 3.332 N/A LEU 288.A N GLU 48.A OE2 no hydrogen 3.118 N/A ARG 299.A N LEU 356.A O no hydrogen 3.258 N/A ARG 299.A NE GLU 497.A OE2 no hydrogen 2.836 N/A ARG 299.A NH2 GLU 497.A OE2 no hydrogen 2.692 N/A PHE 301.A N VAL 353.A O no hydrogen 2.890 N/A VAL 302.A N LEU 461.A O no hydrogen 2.920 N/A LEU 303.A N VAL 351.A O no hydrogen 2.965 N/A GLU 304.A N PHE 459.A O no hydrogen 2.888 N/A GLY 306.A N TRP 457.A O no hydrogen 2.876 N/A THR 307.A N ARG 347.A O no hydrogen 3.121 N/A THR 307.A OG1 GLU 308.A O no hydrogen 2.765 N/A GLU 308.A N PRO 454.A O no hydrogen 3.208 N/A LEU 310.A N PRO 346.A O no hydrogen 3.257 N/A HIS 313.A NE2 GLU 543.A OE2 no hydrogen 2.810 N/A ASP 314.A N PRO 311.A O no hydrogen 3.197 N/A ALA 318.A N ASP 314.A O no hydrogen 2.914 N/A THR 319.A N VAL 315.A O no hydrogen 2.937 N/A THR 319.A OG1 VAL 315.A O no hydrogen 2.836 N/A THR 319.A OG1 ILE 316.A O no hydrogen 3.209 N/A LYS 320.A NZ ILE 316.A O no hydrogen 2.750 N/A GLN 321.A N GLU 317.A O no hydrogen 2.933 N/A GLN 321.A NE2 SER 438.A O no hydrogen 3.626 N/A LEU 322.A N ALA 318.A O no hydrogen 2.940 N/A LYS 324.A N LYS 320.A O no hydrogen 2.948 N/A LEU 326.A N LEU 322.A O no hydrogen 2.905 N/A LEU 326.A N GLU 323.A O no hydrogen 3.157 N/A ILE 327.A N GLU 323.A O no hydrogen 2.962 N/A LYS 332.A N GLN 328.A O no hydrogen 2.920 N/A ARG 333.A N ILE 329.A O no hydrogen 2.788 N/A ARG 334.A N GLU 331.A O no hydrogen 3.236 N/A LEU 335.A N LEU 330.A O no hydrogen 2.596 N/A HIS 337.A ND1 GLY 338.A O no hydrogen 3.010 N/A ARG 341.A N VAL 352.A O no hydrogen 2.979 N/A SER 342.A OG THR 319.A O no hydrogen 3.417 N/A TYR 343.A N ALA 350.A O no hydrogen 2.862 N/A THR 345.A N ARG 348.A O no hydrogen 2.913 N/A ARG 347.A NH1 GLY 482.A O no hydrogen 3.072 N/A ARG 348.A N THR 345.A O no hydrogen 2.930 N/A ARG 348.A NE GLU 304.A OE2 no hydrogen 3.340 N/A ALA 350.A N TYR 343.A O no hydrogen 2.919 N/A VAL 351.A N LEU 303.A O no hydrogen 2.868 N/A VAL 352.A N ARG 341.A O no hydrogen 2.898 N/A VAL 353.A N PHE 301.A O no hydrogen 2.924 N/A LEU 356.A N ARG 299.A O no hydrogen 3.269 N/A ILE 365.A N VAL 415.A O no hydrogen 2.902 N/A LEU 367.A N ALA 413.A O no hydrogen 2.898 N/A GLY 369.A N ILE 411.A O no hydrogen 3.234 N/A VAL 372.A N THR 408.A OG1 no hydrogen 3.283 N/A ALA 375.A N PRO 371.A O no hydrogen 3.117 N/A PHE 376.A N VAL 372.A O no hydrogen 3.039 N/A THR 383.A N ALA 375.A O no hydrogen 3.028 N/A THR 383.A OG1 LYS 374.A O no hydrogen 3.112 N/A THR 383.A OG1 ALA 375.A O no hydrogen 2.783 N/A ALA 386.A N THR 383.A O no hydrogen 3.232 N/A GLY 388.A N LYS 384.A O no hydrogen 2.900 N/A PHE 389.A N ALA 385.A O no hydrogen 2.891 N/A CYS 390.A N ALA 386.A O no hydrogen 2.906 N/A CYS 390.A SG ALA 386.A O no hydrogen 3.184 N/A ARG 391.A N GLU 387.A O no hydrogen 2.895 N/A LYS 392.A N GLY 388.A O no hydrogen 2.872 N/A ASN 393.A N PHE 389.A O no hydrogen 2.959 N/A VAL 395.A N CYS 390.A O no hydrogen 3.184 N/A SER 399.A N PRO 396.A O no hydrogen 3.213 N/A SER 399.A OG PRO 396.A O no hydrogen 3.438 N/A LEU 400.A N ILE 397.A O no hydrogen 3.251 N/A TYR 401.A N TYR 412.A O no hydrogen 3.265 N/A TYR 412.A N TYR 401.A O no hydrogen 3.186 N/A VAL 415.A N ILE 365.A O no hydrogen 2.929 N/A ARG 420.A N GLN 360.A OE1 no hydrogen 3.405 N/A THR 427.A N ASP 423.A O no hydrogen 2.920 N/A THR 427.A OG1 ASP 423.A O no hydrogen 3.055 N/A GLU 428.A N GLU 424.A O no hydrogen 2.913 N/A ASP 429.A N LEU 426.A O no hydrogen 3.160 N/A LEU 430.A N LEU 426.A O no hydrogen 2.913 N/A THR 432.A N ASP 429.A O no hydrogen 2.994 N/A THR 432.A OG1 ASP 429.A O no hydrogen 2.440 N/A ILE 433.A N ASP 429.A O no hydrogen 3.387 N/A ILE 434.A N LEU 430.A O no hydrogen 2.956 N/A SER 438.A N GLN 321.A OE1 no hydrogen 3.188 N/A MET 443.A N PHE 451.A O no hydrogen 3.034 N/A SER 447.A OG ASN 446.A OD1 no hydrogen 3.557 N/A SER 452.A OG ASP 314.A OD2 no hydrogen 3.424 N/A ARG 453.A NH1 SER 452.A O no hydrogen 3.122 N/A ARG 456.A N GLY 306.A O no hydrogen 2.907 N/A ARG 456.A NE GLU 308.A OE2 no hydrogen 3.202 N/A TRP 457.A N GLY 306.A O no hydrogen 2.948 N/A TRP 457.A NE1 GLU 304.A OE2 no hydrogen 2.837 N/A PHE 459.A N GLU 304.A O no hydrogen 2.917 N/A LEU 461.A N VAL 302.A O no hydrogen 2.916 N/A HIS 462.A N LEU 465.A O no hydrogen 3.368 N/A GLY 463.A N ALA 300.A O no hydrogen 2.973 N/A PHE 469.A N SER 476.A OG no hydrogen 3.374 N/A PHE 471.A N ILE 474.A O no hydrogen 3.017 N/A ILE 474.A N PHE 471.A O no hydrogen 3.025 N/A SER 476.A N PHE 469.A O no hydrogen 3.350 N/A SER 476.A OG VAL 467.A O no hydrogen 2.904 N/A SER 476.A OG PHE 469.A O no hydrogen 2.978 N/A GLY 477.A N ILE 458.A O no hydrogen 3.346 N/A SER 480.A N PHE 491.A O no hydrogen 2.945 N/A SER 480.A OG GLU 304.A OE2 no hydrogen 3.064 N/A SER 486.A N LEU 483.A O no hydrogen 3.311 N/A PHE 491.A N SER 480.A O no hydrogen 2.873 N/A LYS 492.A NZ GLN 479.A OE1 no hydrogen 2.803 N/A VAL 493.A N ASN 478.A O no hydrogen 3.380 N/A ALA 496.A N GLY 463.A O no hydrogen 3.216 N/A LEU 498.A N ALA 495.A O no hydrogen 3.163 N/A TYR 499.A OH GLU 304.A OE1 no hydrogen 2.245 N/A THR 502.A N TYR 499.A O no hydrogen 2.914 N/A THR 502.A OG1 LEU 498.A O no hydrogen 2.980 N/A LEU 503.A N TYR 499.A O no hydrogen 3.266 N/A ALA 506.A N THR 502.A O no hydrogen 3.074 N/A ALA 506.A N LEU 503.A O no hydrogen 2.893 N/A ILE 508.A N LEU 503.A O no hydrogen 3.174 N/A GLN 513.A NE2 GLN 517.A OE1 no hydrogen 3.536 N/A GLU 514.A N ASP 511.A OD2 no hydrogen 2.577 N/A ARG 515.A NH1 GLY 344.A O no hydrogen 3.559 N/A ARG 515.A NH1 LEU 509.A O no hydrogen 3.030 N/A ARG 515.A NH2 ASN 546.A OD1 no hydrogen 3.336 N/A ARG 518.A N ARG 515.A O no hydrogen 3.242 N/A ILE 519.A N ARG 515.A O no hydrogen 2.903 N/A LEU 520.A N LYS 516.A O no hydrogen 2.945 N/A SER 523.A N ILE 519.A O no hydrogen 2.938 N/A SER 523.A OG ILE 519.A O no hydrogen 2.845 N/A SER 524.A OG LEU 520.A O no hydrogen 3.410 N/A LEU 526.A N ASP 522.A O no hydrogen 2.918 N/A ALA 527.A N SER 524.A O no hydrogen 3.088 N/A VAL 530.A N ALA 527.A O no hydrogen 3.077 N/A GLY 531.A N GLU 528.A O no hydrogen 3.209 N/A GLY 532.A N ALA 527.A O no hydrogen 3.372 N/A ASP 533.A N THR 584.A O no hydrogen 2.888 N/A ILE 535.A N PRO 582.A O no hydrogen 3.359 N/A SER 539.A N ASP 538.A OD1 no hydrogen 2.547 N/A LEU 540.A N PRO 537.A O no hydrogen 3.193 N/A VAL 541.A N PRO 537.A O no hydrogen 3.107 N/A GLN 542.A N ASP 538.A O no hydrogen 2.919 N/A GLU 543.A N LEU 540.A O no hydrogen 3.271 N/A VAL 544.A N LEU 540.A O no hydrogen 2.911 N/A ILE 545.A N VAL 541.A O no hydrogen 2.937 N/A ASN 546.A ND2 PRO 312.A O no hydrogen 3.415 N/A LEU 547.A N VAL 544.A O no hydrogen 3.335 N/A GLU 549.A N ASN 600.A OD1 no hydrogen 3.317 N/A ILE 554.A N THR 597.A O no hydrogen 2.888 N/A GLY 556.A N PHE 595.A O no hydrogen 2.886 N/A LEU 563.A N VAL 560.A O no hydrogen 2.918 N/A VAL 569.A N PRO 566.A O no hydrogen 3.215 N/A THR 572.A OG1 ASP 568.A O no hydrogen 2.840 N/A VAL 573.A N VAL 569.A O no hydrogen 2.936 N/A MET 574.A N LEU 570.A O no hydrogen 2.927 N/A GLN 575.A N ILE 571.A O no hydrogen 2.907 N/A LYS 576.A N THR 572.A O no hydrogen 2.921 N/A GLN 578.A NE2 GLY 135.A O no hydrogen 3.075 N/A LYS 579.A NZ GLU 543.A OE1 no hydrogen 3.407 N/A TYR 580.A N MET 574.A O no hydrogen 3.000 N/A PHE 581.A N ILE 596.A O no hydrogen 2.843 N/A THR 584.A N ASP 533.A O no hydrogen 2.907 N/A SER 585.A OG THR 587.A O no hydrogen 2.750 N/A ASN 590.A N MET 588.A O no hydrogen 2.543 N/A LEU 592.A N VAL 583.A O no hydrogen 3.041 N/A CYS 594.A N LEU 592.A O no hydrogen 2.745 N/A CYS 594.A SG PRO 593.A O no hydrogen 3.051 N/A PHE 595.A N GLY 556.A O no hydrogen 2.925 N/A ILE 596.A N PHE 581.A O no hydrogen 3.090 N/A THR 597.A N ILE 554.A O no hydrogen 2.908 N/A ALA 599.A N MET 552.A O no hydrogen 2.888 N/A GLY 601.A N ALA 550.A O no hydrogen 3.187 N/A ARG 609.A NH1 GLU 605.A OE2 no hydrogen 2.365 N/A ARG 609.A NH2 GLU 605.A OE1 no hydrogen 3.179 N/A ARG 609.A NH2 GLU 605.A OE2 no hydrogen 2.866 N/A LYS 610.A N GLU 606.A O no hydrogen 2.944 N/A GLY 611.A N VAL 607.A O no hydrogen 2.895 N/A ASN 612.A N ARG 609.A O no hydrogen 3.165 N/A GLU 613.A N ARG 609.A O no hydrogen 2.972 N/A VAL 615.A N ASN 612.A O no hydrogen 3.278 N/A LEU 616.A N ASN 612.A O no hydrogen 3.094 N/A ARG 617.A N GLU 613.A O no hydrogen 2.899 N/A ALA 618.A N VAL 615.A O no hydrogen 3.044 N/A ARG 619.A N VAL 615.A O no hydrogen 3.008 N/A TYR 620.A OH LEU 570.A O no hydrogen 3.367 N/A ALA 623.A N ARG 619.A O no hydrogen 3.014 N/A LYS 624.A N TYR 620.A O no hydrogen 2.840 N/A PHE 625.A N GLU 621.A O no hydrogen 2.932 N/A PHE 626.A N ASP 622.A O no hydrogen 2.957 N/A TYR 627.A N ALA 623.A O no hydrogen 2.929 N/A LYS 628.A N LYS 624.A O no hydrogen 2.893 N/A MET 629.A N PHE 625.A O no hydrogen 2.943 N/A ASP 630.A N PHE 626.A O no hydrogen 2.875 N/A ASP 630.A N TYR 627.A O no hydrogen 3.083 N/A THR 631.A N TYR 627.A O no hydrogen 2.958 N/A THR 631.A OG1 TYR 627.A O no hydrogen 3.132 N/A THR 631.A OG1 LYS 628.A O no hydrogen 3.454 N/A GLU 637.A N GLU 637.A OE1 no hydrogen 2.583 N/A PHE 638.A N LEU 635.A O no hydrogen 3.220 N/A ARG 639.A N SER 636.A O no hydrogen 3.322 N/A ARG 639.A NH1 ALA 686.A O no hydrogen 2.974 N/A ASP 640.A N GLU 637.A O no hydrogen 3.378 N/A GLN 641.A NE2 ALA 694.A O no hydrogen 2.966 N/A ILE 645.A N LEU 642.A O no hydrogen 3.097 N/A PHE 647.A N GLY 652.A O no hydrogen 2.661 N/A HIS 648.A N GLY 652.A O no hydrogen 3.058 N/A GLU 649.A N GLU 649.A OE1 no hydrogen 2.548 N/A ARG 650.A N HIS 648.A ND1 no hydrogen 3.066 N/A ARG 650.A NE GLU 649.A O no hydrogen 3.420 N/A GLY 652.A N HIS 648.A O no hydrogen 2.728 N/A THR 653.A OG1 ASP 656.A OD1 no hydrogen 2.844 N/A ASP 656.A N ASP 656.A OD1 no hydrogen 2.251 N/A LYS 657.A NZ ASP 752.A OD1 no hydrogen 3.246 N/A MET 658.A N MET 654.A O no hydrogen 2.904 N/A LYS 659.A N LEU 655.A O no hydrogen 2.931 N/A ARG 660.A N ASP 656.A O no hydrogen 2.911 N/A VAL 661.A N LYS 657.A O no hydrogen 2.918 N/A GLU 662.A N MET 658.A O no hydrogen 2.907 N/A ASN 663.A N LYS 659.A O no hydrogen 2.927 N/A THR 664.A N ARG 660.A O no hydrogen 2.920 N/A GLU 667.A N GLU 667.A OE1 no hydrogen 2.588 N/A ALA 669.A N VAL 665.A O no hydrogen 2.928 N/A LEU 670.A N ALA 666.A O no hydrogen 3.226 N/A LEU 670.A N GLU 667.A O no hydrogen 3.011 N/A LEU 671.A N GLU 667.A O no hydrogen 2.927 N/A LEU 672.A N VAL 668.A O no hydrogen 3.255 N/A GLY 673.A N LEU 670.A O no hydrogen 3.198 N/A MET 678.A N ASN 675.A O no hydrogen 3.456 N/A ILE 679.A N GLU 676.A O no hydrogen 2.906 N/A LYS 683.A N ILE 679.A O no hydrogen 3.360 N/A ASP 684.A N PRO 680.A O no hydrogen 3.148 N/A ASP 684.A N ALA 681.A O no hydrogen 2.930 N/A ALA 685.A N ALA 681.A O no hydrogen 2.862 N/A ALA 686.A N ILE 682.A O no hydrogen 3.338 N/A ALA 687.A N ASP 684.A O no hydrogen 2.913 N/A LEU 688.A N ALA 685.A O no hydrogen 2.930 N/A ALA 689.A N ALA 686.A O no hydrogen 3.476 N/A SER 691.A OG LEU 688.A O no hydrogen 3.010 N/A THR 695.A N ASP 692.A O no hydrogen 2.965 N/A THR 695.A OG1 ASP 692.A O no hydrogen 2.248 N/A ASN 696.A N ASP 630.A OD2 no hydrogen 2.545 N/A ILE 697.A N ASP 630.A OD2 no hydrogen 3.056 N/A THR 699.A N ASN 696.A O no hydrogen 3.256 N/A THR 699.A OG1 THR 695.A O no hydrogen 2.671 N/A LEU 704.A N PHE 701.A O no hydrogen 3.264 N/A ALA 705.A N THR 702.A O no hydrogen 3.281 N/A GLY 706.A N ASP 692.A OD2 no hydrogen 2.747 N/A ILE 707.A N LEU 704.A O no hydrogen 3.469 N/A HIS 711.A N ILE 707.A O no hydrogen 2.962 N/A TYR 712.A N MET 708.A O no hydrogen 2.917 N/A TYR 712.A OH ASP 630.A OD2 no hydrogen 3.428 N/A ALA 713.A N ALA 709.A O no hydrogen 2.914 N/A LEU 714.A N ARG 710.A O no hydrogen 2.902 N/A ARG 715.A N HIS 711.A O no hydrogen 2.963 N/A ASP 716.A N TYR 712.A O no hydrogen 2.902 N/A GLY 717.A N LEU 714.A O no hydrogen 3.410 N/A ILE 722.A N SER 719.A O no hydrogen 3.491 N/A LEU 726.A N ILE 722.A O no hydrogen 2.921 N/A PHE 727.A N ALA 723.A O no hydrogen 2.909 N/A GLU 728.A N GLU 724.A O no hydrogen 2.897 N/A THR 730.A OG1 PHE 727.A O no hydrogen 3.517 N/A ARG 733.A NE ASP 737.A OD2 no hydrogen 3.221 N/A ARG 733.A NH2 ASP 737.A OD2 no hydrogen 3.277 N/A ASP 737.A N PHE 734.A O no hydrogen 3.074 N/A VAL 738.A N ASP 737.A OD1 no hydrogen 2.552 N/A LYS 741.A N GLU 728.A OE1 no hydrogen 3.204 N/A LYS 741.A NZ PHE 739.A O no hydrogen 2.896 N/A GLY 745.A N THR 742.A O no hydrogen 3.209 N/A ILE 746.A N THR 742.A O no hydrogen 3.306 N/A ILE 746.A N ASP 743.A O no hydrogen 3.173 N/A ALA 749.A N GLY 745.A O no hydrogen 2.935 N/A VAL 750.A N ILE 746.A O no hydrogen 2.918 N/A THR 751.A N VAL 747.A O no hydrogen 2.909 N/A THR 751.A OG1 VAL 747.A O no hydrogen 2.807 N/A ASP 752.A N LEU 748.A O no hydrogen 2.919 N/A ARG 753.A N ALA 749.A O no hydrogen 2.956 N/A LEU 754.A N VAL 750.A O no hydrogen 2.897 N/A ASP 755.A N THR 751.A O no hydrogen 2.916 N/A SER 756.A N ASP 752.A O no hydrogen 2.915 N/A LEU 757.A N ARG 753.A O no hydrogen 2.925 N/A VAL 758.A N LEU 754.A O no hydrogen 2.906 N/A GLY 759.A N ASP 755.A O no hydrogen 2.924 N/A LEU 760.A N SER 756.A O no hydrogen 3.331 N/A PHE 761.A N LEU 757.A O no hydrogen 2.917 N/A GLY 762.A N VAL 758.A O no hydrogen 2.894 N/A GLY 762.A N GLY 759.A O no hydrogen 3.202 N/A GLY 764.A N PHE 761.A O no hydrogen 3.382 N/A GLN 766.A N GLN 766.A OE1 no hydrogen 2.625 N/A SER 768.A N ASN 771.A OD1 no hydrogen 3.165 N/A ARG 777.A NH1 SER 768.A O no hydrogen 3.303 N/A ARG 777.A NH2 SER 768.A O no hydrogen 3.001 N/A ARG 778.A NE ARG 778.A O no hydrogen 3.513 N/A ILE 779.A N GLY 775.A O no hydrogen 3.318 N/A SER 780.A N LEU 776.A O no hydrogen 2.933 N/A SER 780.A OG LEU 776.A O no hydrogen 3.365 N/A SER 780.A OG ARG 777.A O no hydrogen 2.696 N/A TYR 781.A N ARG 777.A O no hydrogen 2.893 N/A TYR 781.A OH ASP 833.A OD2 no hydrogen 3.357 N/A GLY 782.A N ARG 778.A O no hydrogen 2.899 N/A LEU 783.A N ILE 779.A O no hydrogen 2.918 N/A VAL 784.A N SER 780.A O no hydrogen 2.961 N/A GLN 785.A N TYR 781.A O no hydrogen 3.100 N/A ILE 786.A N GLY 782.A O no hydrogen 2.918 N/A LEU 787.A N LEU 783.A O no hydrogen 2.950 N/A VAL 788.A N VAL 784.A O no hydrogen 2.902 N/A GLU 789.A N GLN 785.A O no hydrogen 2.899 N/A ASN 790.A ND2 ASN 790.A O no hydrogen 2.644 N/A LYS 791.A N VAL 788.A O no hydrogen 3.299 N/A LEU 796.A N ASN 850.A OD1 no hydrogen 3.087 N/A LYS 798.A N ASP 795.A OD2 no hydrogen 3.130 N/A ALA 799.A N ASP 795.A O no hydrogen 3.085 N/A LEU 800.A N LEU 796.A O no hydrogen 2.940 N/A THR 801.A OG1 LYS 798.A O no hydrogen 3.009 N/A VAL 803.A N ALA 799.A O no hydrogen 2.928 N/A ALA 804.A N LEU 800.A O no hydrogen 2.921 N/A GLU 805.A N LEU 802.A O no hydrogen 3.202 N/A GLN 807.A N ALA 804.A O no hydrogen 3.370 N/A GLU 818.A N GLY 814.A O no hydrogen 2.938 N/A VAL 819.A N VAL 815.A O no hydrogen 2.883 N/A VAL 820.A N ILE 816.A O no hydrogen 2.923 N/A GLN 821.A N ASP 817.A O no hydrogen 2.933 N/A PHE 822.A N GLU 818.A O no hydrogen 2.911 N/A VAL 823.A N VAL 819.A O no hydrogen 2.913 N/A THR 824.A N VAL 820.A O no hydrogen 2.912 N/A THR 824.A OG1 VAL 820.A O no hydrogen 2.872 N/A ARG 825.A N GLN 821.A O no hydrogen 2.907 N/A ARG 826.A N PHE 822.A O no hydrogen 2.979 N/A LEU 827.A N VAL 823.A O no hydrogen 2.869 N/A GLU 828.A N THR 824.A O no hydrogen 2.953 N/A GLN 829.A N ARG 825.A O no hydrogen 3.294 N/A LEU 830.A N ARG 826.A O no hydrogen 2.942 N/A LEU 831.A N LEU 827.A O no hydrogen 2.880 N/A VAL 832.A N GLU 828.A O no hydrogen 2.953 N/A ASP 833.A N LEU 830.A O no hydrogen 3.164 N/A GLU 839.A N GLU 839.A OE1 no hydrogen 2.485 N/A ILE 840.A N ASN 837.A O no hydrogen 3.209 N/A VAL 841.A N ASN 837.A O no hydrogen 3.414 N/A ARG 842.A N CYS 838.A O no hydrogen 2.898 N/A ARG 842.A NH1 ARG 842.A O no hydrogen 3.367 N/A SER 843.A N ILE 840.A O no hydrogen 3.137 N/A SER 843.A OG GLU 839.A O no hydrogen 3.357 N/A SER 843.A OG ILE 840.A O no hydrogen 2.585 N/A VAL 844.A N ILE 840.A O no hydrogen 2.945 N/A LEU 845.A N VAL 841.A O no hydrogen 2.899 N/A GLU 847.A N VAL 844.A O no hydrogen 3.165 N/A ARG 848.A N VAL 844.A O no hydrogen 2.933 N/A ARG 848.A NE ILE 974.A O no hydrogen 3.375 N/A ARG 848.A NH2 ILE 974.A O no hydrogen 2.837 N/A ASN 850.A ND2 ASP 795.A OD1 no hydrogen 2.496 N/A ALA 855.A N.A CYS 851.A O no hydrogen 3.199 N/A ALA 855.A N.B CYS 851.A O no hydrogen 3.199 N/A SER 856.A N PRO 852.A O no hydrogen 2.916 N/A GLN 857.A N TYR 853.A O no hydrogen 2.941 N/A THR 858.A N LEU 854.A O no hydrogen 2.913 N/A THR 858.A N ALA 855.A O.A no hydrogen 3.256 N/A THR 858.A N ALA 855.A O.B no hydrogen 3.256 N/A THR 858.A OG1 LEU 854.A O no hydrogen 3.163 N/A THR 858.A OG1 ASP 925.A OD1 no hydrogen 3.532 N/A ALA 859.A N ALA 855.A O.A no hydrogen 2.911 N/A ALA 859.A N ALA 855.A O.B no hydrogen 2.911 N/A GLU 861.A N THR 858.A O no hydrogen 3.245 N/A MET 862.A N THR 858.A O no hydrogen 2.907 N/A PHE 865.A N GLU 861.A O no hydrogen 2.925 N/A SER 866.A N MET 862.A O no hydrogen 2.888 N/A SER 866.A N GLU 863.A O no hydrogen 3.132 N/A SER 866.A OG GLU 863.A O no hydrogen 2.387 N/A THR 868.A N PHE 865.A O no hydrogen 3.100 N/A THR 868.A OG1 PHE 865.A O no hydrogen 2.218 N/A ILE 874.A N ASP 870.A O no hydrogen 3.341 N/A VAL 875.A N PHE 871.A O no hydrogen 2.965 N/A GLU 876.A N PRO 872.A O no hydrogen 2.889 N/A ALA 877.A N LYS 873.A O no hydrogen 3.046 N/A TYR 878.A N ILE 874.A O no hydrogen 2.947 N/A TYR 878.A OH SER 933.A OG no hydrogen 3.174 N/A ARG 880.A N ALA 877.A O no hydrogen 3.151 N/A ILE 884.A N PRO 881.A O no hydrogen 3.046 N/A ILE 885.A N THR 882.A O no hydrogen 3.094 N/A SER 892.A N GLU 889.A O no hydrogen 3.341 N/A ALA 893.A N ILE 890.A O no hydrogen 3.493 N/A SER 899.A OG ASP 897.A OD2 no hydrogen 3.237 N/A GLU 906.A N LYS 903.A O no hydrogen 3.270 N/A ALA 908.A N ASP 904.A O no hydrogen 2.879 N/A LEU 909.A N GLU 905.A O no hydrogen 2.961 N/A TRP 910.A N GLU 906.A O no hydrogen 2.871 N/A SER 911.A N ARG 907.A O no hydrogen 2.897 N/A SER 911.A OG ARG 907.A O no hydrogen 3.372 N/A SER 911.A OG ALA 908.A O no hydrogen 2.516 N/A ALA 912.A N ALA 908.A O no hydrogen 2.923 N/A TYR 913.A N LEU 909.A O no hydrogen 2.890 N/A TYR 913.A OH LYS 966.A O no hydrogen 3.398 N/A LEU 914.A N TRP 910.A O no hydrogen 2.893 N/A GLU 915.A N SER 911.A O no hydrogen 2.910 N/A VAL 916.A N ALA 912.A O no hydrogen 2.914 N/A ALA 917.A N TYR 913.A O no hydrogen 2.897 N/A LYS 919.A N VAL 916.A O no hydrogen 3.297 N/A LYS 919.A NZ GLU 915.A O no hydrogen 2.615 N/A ILE 920.A N ALA 917.A O no hydrogen 3.379 N/A VAL 924.A N HIS 921.A O no hydrogen 2.897 N/A ILE 926.A N ASP 925.A OD1 no hydrogen 2.738 N/A LYS 927.A NZ ASP 925.A OD2 no hydrogen 2.565 N/A PHE 929.A N ILE 926.A O no hydrogen 3.315 N/A ALA 932.A N ALA 928.A O no hydrogen 2.909 N/A SER 933.A N PHE 929.A O no hydrogen 2.903 N/A SER 933.A OG TYR 878.A OH no hydrogen 3.174 N/A SER 933.A OG PHE 929.A O no hydrogen 2.819 N/A LEU 934.A N ALA 930.A O no hydrogen 2.909 N/A LEU 936.A N SER 933.A O no hydrogen 3.253 N/A LEU 937.A N LEU 934.A O no hydrogen 3.421 N/A LEU 940.A N LEU 937.A O no hydrogen 3.071 N/A PHE 943.A N PRO 939.A O no hydrogen 2.892 N/A PHE 944.A N LEU 940.A O no hydrogen 2.929 N/A THR 945.A N GLU 941.A O no hydrogen 2.937 N/A THR 945.A OG1 GLU 941.A O no hydrogen 2.610 N/A THR 945.A OG1 ASP 942.A O no hydrogen 3.098 N/A ASN 946.A N PHE 943.A O no hydrogen 3.012 N/A ASN 946.A ND2 ASP 942.A OD1 no hydrogen 2.758 N/A GLU 954.A N GLU 954.A OE1 no hydrogen 2.662 N/A ARG 957.A N ASP 953.A O no hydrogen 2.854 N/A ASN 958.A N GLU 954.A O no hydrogen 2.909 N/A ASN 959.A N LYS 955.A O no hydrogen 2.950 N/A ARG 960.A N VAL 956.A O no hydrogen 2.897 N/A ARG 960.A NH1 VAL 947.A O no hydrogen 2.446 N/A LEU 961.A N ARG 957.A O no hydrogen 2.890 N/A ALA 962.A N ASN 958.A O no hydrogen 2.925 N/A LEU 963.A N ASN 959.A O no hydrogen 2.946 N/A LEU 964.A N ARG 960.A O no hydrogen 2.886 N/A THR 965.A N LEU 961.A O no hydrogen 2.889 N/A THR 965.A OG1 LEU 961.A O no hydrogen 2.959 N/A THR 965.A OG1 ALA 962.A O no hydrogen 2.583 N/A LYS 966.A N ALA 962.A O no hydrogen 2.961 N/A VAL 967.A N LEU 963.A O no hydrogen 2.923 N/A ALA 968.A N LEU 964.A O no hydrogen 2.912 N/A SER 969.A OG THR 965.A O no hydrogen 3.156 N/A SER 969.A OG LYS 966.A O no hydrogen 2.938 N/A LYS 972.A N SER 969.A O no hydrogen 3.213 N/A GLY 973.A N GLU 847.A OE2 no hydrogen 2.325 N/A ILE 974.A N PRO 971.A O no hydrogen 3.006 N/A ALA 975.A N PRO 971.A O no hydrogen 3.342 N/A SER 978.A N ASP 976.A OD2 no hydrogen 3.156 N/A SER 978.A OG ASP 976.A OD2 no hydrogen 2.303 N/A