Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6bqf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 1.A OD2 no hydrogen 2.613 N/A THR 7.A OG1 ASP 10.A OD2 no hydrogen 3.159 N/A GLU 9.A N THR 7.A OG1 no hydrogen 3.169 N/A ASP 10.A N THR 7.A OG1 no hydrogen 3.421 N/A SER 11.A OG ILE 630.A O no hydrogen 2.316 N/A ILE 15.A N SER 11.A O no hydrogen 2.920 N/A SER 16.A N TRP 12.A O no hydrogen 2.883 N/A SER 16.A OG TRP 12.A O no hydrogen 2.682 N/A SER 16.A OG TYR 698.A OH no hydrogen 2.739 N/A ALA 17.A N ALA 13.A O no hydrogen 2.907 N/A PHE 18.A N VAL 14.A O no hydrogen 3.012 N/A ARG 20.A N PHE 18.A O no hydrogen 2.467 N/A ARG 20.A NE SER 16.A O no hydrogen 3.151 N/A GLY 23.A N PHE 19.A O no hydrogen 2.817 N/A GLN 28.A NE2 LEU 146.A O no hydrogen 3.657 N/A GLN 28.A NE2 LEU 406.A O no hydrogen 3.056 N/A LEU 29.A N VAL 25.A O no hydrogen 3.345 N/A ASP 30.A N SER 26.A O no hydrogen 2.902 N/A SER 31.A N GLN 27.A O no hydrogen 2.921 N/A PHE 32.A N GLN 28.A O no hydrogen 2.939 N/A ASN 33.A N LEU 29.A O no hydrogen 2.896 N/A GLN 34.A N ASP 30.A O no hydrogen 2.920 N/A PHE 35.A N SER 31.A O no hydrogen 2.929 N/A VAL 36.A N PHE 32.A O no hydrogen 2.913 N/A ASP 37.A N ASN 33.A O no hydrogen 2.906 N/A THR 39.A N GLN 34.A O no hydrogen 3.308 N/A THR 39.A OG1 GLN 34.A O no hydrogen 3.412 N/A LEU 40.A N PHE 35.A O no hydrogen 2.976 N/A GLN 41.A NE2 GLN 41.A O no hydrogen 3.678 N/A GLN 41.A NE2 GLY 56.A O no hydrogen 3.045 N/A ASP 42.A N TYR 38.A O no hydrogen 3.429 N/A ILE 43.A N THR 39.A O no hydrogen 2.906 N/A ILE 44.A N LEU 40.A O no hydrogen 2.946 N/A CYS 45.A N GLN 41.A O no hydrogen 2.901 N/A CYS 45.A SG PHE 55.A O no hydrogen 3.977 N/A CYS 45.A SG GLY 56.A O no hydrogen 3.265 N/A GLU 46.A N ASP 42.A O no hydrogen 3.210 N/A SER 48.A OG ILE 44.A O no hydrogen 2.328 N/A ILE 53.A N LEU 50.A O no hydrogen 3.423 N/A GLY 56.A N ASP 94.A O no hydrogen 2.475 N/A ILE 58.A N GLN 41.A OE1 no hydrogen 3.080 N/A TYR 59.A N PHE 92.A O no hydrogen 2.869 N/A TYR 59.A OH ASP 94.A OD2 no hydrogen 3.176 N/A THR 61.A N GLY 90.A O no hydrogen 3.195 N/A THR 61.A OG1 LYS 62.A O no hydrogen 3.243 N/A THR 61.A OG1 GLY 90.A O no hydrogen 3.524 N/A VAL 65.A N HIS 73.A O no hydrogen 2.876 N/A GLU 67.A N VAL 71.A O no hydrogen 3.405 N/A GLY 70.A N GLU 67.A O no hydrogen 2.991 N/A HIS 73.A N VAL 65.A O no hydrogen 2.956 N/A HIS 73.A NE2 GLU 67.A OE1 no hydrogen 3.125 N/A LEU 75.A N PRO 63.A O no hydrogen 2.818 N/A ALA 80.A N TYR 76.A O no hydrogen 2.917 N/A ARG 81.A N PRO 77.A O no hydrogen 2.909 N/A ARG 81.A NH2 GLN 78.A OE1 no hydrogen 3.106 N/A ARG 81.A NH2 GLU 128.A OE2 no hydrogen 2.545 N/A LEU 82.A N GLN 78.A O no hydrogen 2.910 N/A ARG 83.A N GLU 79.A O no hydrogen 3.096 N/A ARG 83.A NH1 GLU 67.A OE1 no hydrogen 2.747 N/A ARG 83.A NH1 GLU 79.A OE2 no hydrogen 3.104 N/A ARG 83.A NH2 GLU 67.A OE1 no hydrogen 2.862 N/A ARG 83.A NH2 GLU 67.A OE2 no hydrogen 2.945 N/A ARG 83.A NH2 THR 833.A O no hydrogen 3.562 N/A LEU 85.A N ALA 80.A O no hydrogen 2.766 N/A TYR 87.A N ILE 138.A O no hydrogen 2.938 N/A SER 88.A OG THR 86.A O no hydrogen 3.368 N/A SER 89.A N LEU 104.A O no hydrogen 2.907 N/A SER 89.A OG THR 61.A O no hydrogen 2.976 N/A GLY 90.A N THR 61.A OG1 no hydrogen 2.902 N/A LEU 91.A N GLY 102.A O no hydrogen 2.917 N/A PHE 92.A N TYR 59.A O no hydrogen 2.924 N/A VAL 93.A N VAL 99.A O no hydrogen 3.134 N/A ASP 94.A N LYS 57.A O no hydrogen 3.215 N/A LYS 96.A N SER 54.A O no hydrogen 2.992 N/A VAL 99.A N VAL 93.A O no hydrogen 3.315 N/A ILE 101.A N LEU 91.A O no hydrogen 3.170 N/A ARG 103.A N THR 365.A OG1 no hydrogen 2.788 N/A ARG 103.A NH2 ASN 66.A OD1 no hydrogen 2.571 N/A LEU 104.A N SER 89.A O no hydrogen 2.886 N/A ILE 106.A N TYR 87.A O no hydrogen 2.902 N/A LEU 108.A N TYR 136.A O no hydrogen 2.962 N/A SER 110.A OG ASN 33.A OD1 no hydrogen 2.532 N/A LYS 111.A N ASN 33.A OD1 no hydrogen 3.209 N/A LYS 111.A NZ ASP 37.A OD2 no hydrogen 3.115 N/A CYS 113.A N SER 110.A O no hydrogen 3.074 N/A CYS 113.A SG TYR 87.A OH no hydrogen 3.181 N/A TYR 114.A N TYR 87.A OH no hydrogen 3.405 N/A TYR 114.A OH PRO 63.A O no hydrogen 2.845 N/A SER 116.A N CYS 113.A O no hydrogen 3.484 N/A SER 116.A OG SER 110.A O no hydrogen 3.026 N/A SER 116.A OG CYS 113.A O no hydrogen 2.886 N/A THR 119.A N ASP 122.A OD2 no hydrogen 2.907 N/A THR 119.A OG1 ASP 122.A OD2 no hydrogen 2.776 N/A LEU 123.A N THR 119.A O no hydrogen 2.924 N/A TYR 124.A N GLU 120.A O no hydrogen 2.914 N/A LYS 125.A N SER 121.A O no hydrogen 2.912 N/A LEU 126.A N ASP 122.A O no hydrogen 2.896 N/A LYS 127.A N TYR 124.A O no hydrogen 3.304 N/A GLU 128.A N LEU 123.A O no hydrogen 2.743 N/A CYS 129.A SG THR 670.A OG1 no hydrogen 3.464 N/A ASP 132.A N CYS 129.A O no hydrogen 3.017 N/A GLY 135.A N LEU 108.A O no hydrogen 3.168 N/A TYR 136.A OH ASP 132.A OD1 no hydrogen 3.242 N/A TYR 136.A OH ASP 132.A OD2 no hydrogen 2.497 N/A PHE 137.A N LYS 144.A O no hydrogen 2.891 N/A ILE 139.A N SER 142.A O no hydrogen 2.900 N/A ASN 140.A N THR 86.A OG1 no hydrogen 3.235 N/A GLY 141.A N LEU 85.A O no hydrogen 2.781 N/A SER 142.A N ILE 139.A O no hydrogen 2.897 N/A LYS 144.A N PHE 137.A O no hydrogen 2.892 N/A LYS 144.A NZ ALA 373.A O no hydrogen 3.459 N/A VAL 145.A N GLN 392.A O no hydrogen 2.857 N/A ILE 147.A N VAL 390.A O no hydrogen 2.921 N/A GLN 149.A N ASP 328.A O no hydrogen 2.922 N/A GLN 149.A NE2 ILE 147.A O no hydrogen 2.905 N/A GLU 150.A N ASN 410.A O no hydrogen 2.884 N/A ARG 151.A N ARG 326.A O no hydrogen 2.908 N/A ARG 151.A NE SER 152.A O no hydrogen 3.299 N/A ALA 153.A N LYS 324.A O no hydrogen 3.037 N/A ASN 155.A N ARG 175.A O no hydrogen 2.395 N/A ASN 155.A ND2 ASN 488.A O no hydrogen 3.659 N/A GLN 158.A N GLU 173.A O no hydrogen 2.922 N/A VAL 159.A N ASP 317.A OD2 no hydrogen 2.889 N/A PHE 160.A N VAL 171.A O no hydrogen 2.890 N/A LYS 162.A N SER 169.A O no hydrogen 2.744 N/A SER 166.A OG ILE 168.A O no hydrogen 2.979 N/A SER 169.A N LEU 185.A O no hydrogen 2.903 N/A SER 169.A OG HIS 170.A ND1 no hydrogen 2.812 N/A SER 169.A OG LEU 185.A O no hydrogen 3.360 N/A HIS 170.A ND1 SER 169.A OG no hydrogen 2.812 N/A VAL 171.A N PHE 160.A O no hydrogen 2.914 N/A ALA 172.A N VAL 183.A O no hydrogen 2.969 N/A GLU 173.A N GLN 158.A O no hydrogen 2.895 N/A ILE 174.A N LEU 181.A O no hydrogen 3.110 N/A SER 176.A N SER 179.A O no hydrogen 2.946 N/A LEU 181.A N ILE 174.A O no hydrogen 3.206 N/A GLN 182.A N THR 199.A OG1 no hydrogen 3.227 N/A VAL 183.A N ALA 172.A O no hydrogen 2.830 N/A LYS 184.A N LYS 197.A O no hydrogen 2.898 N/A LEU 185.A N HIS 170.A O no hydrogen 2.964 N/A TYR 186.A N THR 195.A O no hydrogen 2.878 N/A TYR 186.A OH ASP 206.A OD2 no hydrogen 3.147 N/A SER 191.A N ARG 188.A O no hydrogen 3.209 N/A ARG 194.A N SER 192.A O no hydrogen 2.768 N/A THR 195.A N ALA 193.A O no hydrogen 2.968 N/A THR 195.A OG1 ASP 247.A OD2 no hydrogen 3.135 N/A LYS 197.A N LYS 184.A O no hydrogen 2.909 N/A ALA 198.A N ILE 207.A O no hydrogen 2.855 N/A THR 199.A N GLN 182.A O no hydrogen 2.908 N/A THR 199.A OG1 GLN 182.A O no hydrogen 3.425 N/A ILE 203.A N LEU 200.A O no hydrogen 3.126 N/A ILE 207.A N ALA 198.A O no hydrogen 3.002 N/A ILE 209.A N ILE 196.A O no hydrogen 3.287 N/A ILE 212.A N PRO 208.A O no hydrogen 3.354 N/A PHE 213.A N ILE 209.A O no hydrogen 2.908 N/A ARG 214.A N VAL 210.A O no hydrogen 2.917 N/A ARG 214.A NE ILE 219.A O no hydrogen 2.618 N/A ALA 215.A N ILE 212.A O no hydrogen 2.947 N/A LEU 216.A N PHE 213.A O no hydrogen 3.340 N/A GLU 223.A N ASP 221.A O no hydrogen 2.682 N/A GLU 226.A N GLY 222.A O no hydrogen 2.553 N/A HIS 227.A N GLU 223.A O no hydrogen 2.920 N/A HIS 227.A ND1 GLU 223.A O no hydrogen 2.943 N/A ILE 228.A N ILE 224.A O no hydrogen 2.914 N/A ILE 228.A N LEU 225.A O no hydrogen 3.077 N/A CYS 229.A N LEU 225.A O no hydrogen 2.409 N/A CYS 229.A SG ASP 231.A O no hydrogen 3.094 N/A ASN 233.A N ASP 231.A OD1 no hydrogen 3.331 N/A ASP 234.A N ASP 231.A O no hydrogen 3.010 N/A MET 237.A N ASP 234.A OD2 no hydrogen 3.064 N/A GLU 239.A N TRP 235.A O no hydrogen 2.899 N/A MET 240.A N GLN 236.A O no hydrogen 2.915 N/A LEU 241.A N LEU 238.A O no hydrogen 2.878 N/A CYS 244.A N LEU 241.A O no hydrogen 3.176 N/A VAL 245.A N LEU 241.A O no hydrogen 3.316 N/A GLU 246.A N LYS 242.A O no hydrogen 2.920 N/A ASP 247.A N PRO 243.A O no hydrogen 2.900 N/A ASP 247.A N CYS 244.A O no hydrogen 3.108 N/A GLY 248.A N CYS 244.A O no hydrogen 2.972 N/A THR 256.A OG1 ASP 253.A O no hydrogen 3.249 N/A THR 256.A OG1 ASP 253.A OD1 no hydrogen 2.235 N/A ALA 257.A N ASP 253.A O no hydrogen 3.325 N/A ALA 257.A N ARG 254.A O no hydrogen 2.934 N/A LEU 258.A N ARG 254.A O no hydrogen 2.933 N/A ASP 259.A N GLU 255.A O no hydrogen 2.908 N/A PHE 260.A N THR 256.A O no hydrogen 2.897 N/A ILE 261.A N ALA 257.A O no hydrogen 2.947 N/A GLY 262.A N LEU 258.A O no hydrogen 2.906 N/A ARG 263.A N ASP 259.A O no hydrogen 2.877 N/A ARG 264.A N PHE 260.A O no hydrogen 2.952 N/A LYS 266.A NZ ASP 259.A OD2 no hydrogen 3.554 N/A ILE 270.A N GLU 267.A O no hydrogen 2.922 N/A GLN 271.A NE2 GLN 271.A O no hydrogen 3.530 N/A TYR 272.A N LYS 268.A O no hydrogen 2.911 N/A ALA 273.A N ARG 269.A O no hydrogen 2.617 N/A LYS 274.A N ILE 270.A O no hydrogen 2.507 N/A LYS 274.A NZ GLN 271.A OE1 no hydrogen 2.931 N/A ASP 275.A N TYR 272.A O no hydrogen 2.938 N/A ILE 276.A N TYR 272.A O no hydrogen 3.096 N/A LEU 277.A N ALA 273.A O no hydrogen 3.189 N/A GLN 278.A N ASP 275.A O no hydrogen 2.912 N/A GLN 278.A NE2 GLU 292.A OE1 no hydrogen 2.406 N/A LYS 279.A N ASP 275.A O no hydrogen 2.832 N/A GLU 280.A N ILE 276.A O no hydrogen 3.153 N/A PHE 281.A N ILE 276.A O no hydrogen 2.551 N/A GLN 287.A NE2 LYS 279.A O no hydrogen 3.405 N/A ARG 294.A NE GLU 472.A OE1 no hydrogen 2.638 N/A ARG 294.A NH2 GLU 472.A OE1 no hydrogen 3.451 N/A ARG 294.A NH2 GLU 472.A OE2 no hydrogen 3.517 N/A LYS 295.A NZ LEU 277.A O no hydrogen 3.005 N/A LYS 295.A NZ GLN 278.A O no hydrogen 3.299 N/A LYS 295.A NZ PHE 281.A O no hydrogen 3.033 N/A LYS 295.A NZ THR 286.A O no hydrogen 3.219 N/A ALA 296.A N GLU 292.A O no hydrogen 3.117 N/A PHE 297.A N SER 293.A O no hydrogen 2.910 N/A PHE 298.A N ARG 294.A O no hydrogen 2.917 N/A LEU 299.A N LYS 295.A O no hydrogen 2.902 N/A GLY 300.A N ALA 296.A O no hydrogen 2.911 N/A TYR 301.A N PHE 297.A O no hydrogen 2.901 N/A TYR 301.A OH GLU 528.A OE2 no hydrogen 2.940 N/A MET 302.A N PHE 298.A O no hydrogen 2.928 N/A ILE 303.A N LEU 299.A O no hydrogen 2.905 N/A ASN 304.A N GLY 300.A O no hydrogen 2.905 N/A ARG 305.A N TYR 301.A O no hydrogen 2.922 N/A ARG 305.A NH2 ASP 317.A OD1 no hydrogen 3.328 N/A LEU 306.A N MET 302.A O no hydrogen 2.915 N/A LEU 307.A N ILE 303.A O no hydrogen 2.902 N/A LEU 308.A N ASN 304.A O no hydrogen 2.903 N/A CYS 309.A N ARG 305.A O no hydrogen 2.937 N/A CYS 309.A SG LYS 314.A O no hydrogen 3.804 N/A ALA 310.A N LEU 306.A O no hydrogen 2.905 N/A LEU 311.A N LEU 307.A O no hydrogen 2.827 N/A ARG 313.A N LEU 308.A O no hydrogen 3.064 N/A ARG 313.A NH1 ASP 234.A OD1 no hydrogen 2.367 N/A ARG 313.A NH2 ASP 234.A OD2 no hydrogen 3.156 N/A ARG 313.A NH2 GLN 236.A OE1 no hydrogen 2.940 N/A LYS 314.A N LEU 308.A O no hydrogen 3.233 N/A ASP 317.A N VAL 159.A O no hydrogen 3.117 N/A ASP 320.A N ASP 318.A OD1 no hydrogen 3.001 N/A HIS 321.A N ASP 318.A O no hydrogen 3.447 N/A HIS 321.A NE2 GLU 595.A OE1 no hydrogen 2.807 N/A PHE 322.A N THR 422.A OG1 no hydrogen 2.969 N/A GLY 323.A N HIS 321.A ND1 no hydrogen 2.966 N/A LYS 324.A N HIS 321.A O no hydrogen 3.208 N/A LYS 325.A N PHE 322.A O no hydrogen 3.180 N/A LYS 325.A NZ ARG 319.A O no hydrogen 3.259 N/A ARG 326.A N ARG 151.A O no hydrogen 2.903 N/A ARG 326.A NE ASP 534.A OD2 no hydrogen 3.096 N/A ARG 326.A NH1 GLY 323.A O no hydrogen 3.028 N/A ARG 326.A NH1 LYS 325.A O no hydrogen 3.048 N/A ARG 326.A NH2 ASP 534.A OD2 no hydrogen 3.232 N/A LEU 327.A N GLY 536.A O no hydrogen 2.925 N/A ASP 328.A N GLN 149.A O no hydrogen 2.878 N/A GLY 331.A N SER 31.A OG no hydrogen 2.751 N/A LEU 333.A N LEU 329.A O no hydrogen 3.397 N/A LEU 334.A N ALA 330.A O no hydrogen 2.913 N/A ALA 335.A N GLY 331.A O no hydrogen 2.879 N/A GLN 336.A N PRO 332.A O no hydrogen 2.905 N/A LEU 337.A N LEU 333.A O no hydrogen 2.941 N/A PHE 338.A N LEU 334.A O no hydrogen 2.890 N/A LYS 339.A N ALA 335.A O no hydrogen 2.902 N/A THR 340.A N GLN 336.A O no hydrogen 2.956 N/A THR 340.A OG1 GLN 336.A O no hydrogen 3.161 N/A LEU 341.A N LEU 337.A O no hydrogen 2.917 N/A PHE 342.A N PHE 338.A O no hydrogen 2.880 N/A LYS 343.A N LYS 339.A O no hydrogen 2.928 N/A LYS 344.A N THR 340.A O no hydrogen 2.924 N/A LEU 345.A N LEU 341.A O no hydrogen 2.901 N/A THR 346.A N PHE 342.A O no hydrogen 2.897 N/A LYS 347.A N LYS 343.A O no hydrogen 2.937 N/A ASP 348.A N LYS 344.A O no hydrogen 2.927 N/A ILE 349.A N LEU 345.A O no hydrogen 2.890 N/A PHE 350.A N THR 346.A O no hydrogen 2.916 N/A ARG 351.A N LYS 347.A O no hydrogen 2.946 N/A TYR 352.A N ASP 348.A O no hydrogen 2.912 N/A MET 353.A N ILE 349.A O no hydrogen 2.886 N/A GLN 354.A N PHE 350.A O no hydrogen 2.923 N/A ARG 355.A N ARG 351.A O no hydrogen 2.926 N/A THR 356.A N MET 353.A O no hydrogen 3.198 N/A THR 363.A OG1 ASN 360.A OD1 no hydrogen 2.771 N/A THR 365.A N ALA 361.A O no hydrogen 3.445 N/A THR 365.A OG1 ALA 361.A O no hydrogen 3.224 N/A SER 366.A N LYS 362.A O no hydrogen 2.898 N/A SER 366.A OG LYS 362.A O no hydrogen 2.437 N/A SER 366.A OG THR 363.A O no hydrogen 3.454 N/A GLY 367.A N THR 363.A O no hydrogen 2.918 N/A LEU 368.A N ILE 364.A O no hydrogen 2.916 N/A LYS 369.A N THR 365.A O no hydrogen 2.914 N/A TYR 370.A N SER 366.A O no hydrogen 2.897 N/A ALA 371.A N GLY 367.A O no hydrogen 2.949 N/A LEU 372.A N LEU 368.A O no hydrogen 2.906 N/A ALA 373.A N LYS 369.A O no hydrogen 2.902 N/A ALA 373.A N TYR 370.A O no hydrogen 3.109 N/A THR 374.A N TYR 370.A O no hydrogen 2.912 N/A THR 374.A OG1 TYR 370.A O no hydrogen 2.920 N/A GLY 375.A N ALA 371.A O no hydrogen 3.330 N/A ASN 376.A N THR 374.A OG1 no hydrogen 3.135 N/A TRP 377.A NE1 LEU 333.A O no hydrogen 3.033 N/A MET 384.A N LYS 381.A O no hydrogen 3.127 N/A SER 386.A OG TRP 377.A O no hydrogen 2.669 N/A VAL 390.A N GLY 375.A O no hydrogen 2.790 N/A SER 391.A OG ALA 371.A O no hydrogen 3.402 N/A SER 391.A OG LEU 372.A O no hydrogen 2.651 N/A GLN 392.A N VAL 145.A O no hydrogen 2.938 N/A GLN 392.A NE2 GLY 389.A O no hydrogen 3.528 N/A LEU 394.A N GLU 143.A O no hydrogen 2.872 N/A ASN 395.A N HIS 405.A ND1 no hydrogen 3.183 N/A ARG 396.A NE GLU 143.A OE1 no hydrogen 3.442 N/A ARG 396.A NE GLU 143.A OE2 no hydrogen 2.780 N/A ARG 396.A NH2 ASP 132.A OD1 no hydrogen 2.643 N/A ARG 396.A NH2 TYR 136.A OH no hydrogen 3.269 N/A TYR 399.A OH PHE 131.A O no hydrogen 2.651 N/A THR 402.A N THR 398.A O no hydrogen 2.936 N/A THR 402.A OG1 ASN 395.A O no hydrogen 2.691 N/A THR 402.A OG1 THR 398.A O no hydrogen 3.549 N/A LEU 403.A N TYR 399.A O no hydrogen 2.942 N/A SER 404.A N SER 400.A O no hydrogen 2.909 N/A SER 404.A OG GLU 431.A OE2 no hydrogen 2.291 N/A HIS 405.A N SER 401.A O no hydrogen 2.907 N/A HIS 405.A NE2 GLN 392.A OE1 no hydrogen 2.792 N/A LEU 406.A N THR 402.A O no hydrogen 2.946 N/A ARG 407.A N SER 404.A O no hydrogen 3.404 N/A ARG 407.A NE LEU 24.A O no hydrogen 2.998 N/A ARG 407.A NH1 LEU 444.A O no hydrogen 2.584 N/A ARG 407.A NH1 SER 445.A O no hydrogen 2.965 N/A ARG 407.A NH2 SER 445.A O no hydrogen 2.855 N/A ARG 408.A NE ASN 443.A OD1 no hydrogen 3.235 N/A ARG 408.A NH2 SER 404.A OG no hydrogen 2.980 N/A THR 409.A N LYS 442.A O no hydrogen 2.585 N/A ASN 410.A N ALA 148.A O no hydrogen 2.898 N/A ASN 410.A ND2 GLN 149.A OE1 no hydrogen 3.436 N/A THR 411.A OG1 GLU 150.A OE1 no hydrogen 2.969 N/A THR 411.A OG1 LEU 440.A O no hydrogen 3.146 N/A LYS 415.A N ASP 320.A OD2 no hydrogen 3.258 N/A ARG 417.A NH1 GLN 436.A O no hydrogen 2.983 N/A ARG 417.A NH2 GLN 436.A O no hydrogen 2.376 N/A HIS 420.A N HIS 423.A ND1 no hydrogen 3.266 N/A HIS 420.A ND1 THR 422.A OG1 no hydrogen 2.821 N/A HIS 420.A NE2 ASP 318.A OD2 no hydrogen 2.841 N/A THR 422.A N HIS 420.A ND1 no hydrogen 3.129 N/A THR 422.A OG1 HIS 420.A ND1 no hydrogen 2.821 N/A HIS 423.A N HIS 420.A O no hydrogen 3.139 N/A TRP 424.A N ASN 421.A O no hydrogen 3.199 N/A LEU 426.A N HIS 423.A O no hydrogen 3.297 N/A VAL 427.A N HIS 423.A O no hydrogen 3.025 N/A CYS 428.A N ASN 443.A O no hydrogen 2.947 N/A THR 432.A OG1 VAL 441.A O no hydrogen 3.275 N/A CYS 438.A N GLY 435.A O no hydrogen 3.412 N/A GLY 439.A N THR 432.A OG1 no hydrogen 3.059 N/A VAL 441.A N ALA 437.A O no hydrogen 3.191 N/A LYS 442.A N THR 409.A O no hydrogen 2.925 N/A LYS 442.A NZ GLU 150.A OE1 no hydrogen 2.637 N/A LYS 442.A NZ LEU 440.A O no hydrogen 3.538 N/A ASN 443.A ND2 GLU 431.A O no hydrogen 3.365 N/A LEU 444.A N ARG 407.A O no hydrogen 3.090 N/A SER 445.A N LEU 426.A O no hydrogen 2.931 N/A SER 445.A OG GLY 425.A O no hydrogen 2.630 N/A LEU 446.A N LEU 636.A O no hydrogen 3.097 N/A SER 448.A N SER 445.A O no hydrogen 3.306 N/A SER 448.A OG LEU 426.A O no hydrogen 3.166 N/A SER 448.A OG SER 445.A O no hydrogen 2.761 N/A SER 448.A OG SER 445.A OG no hydrogen 3.406 N/A CYS 449.A N TYR 539.A O no hydrogen 2.913 N/A CYS 449.A SG MET 447.A O no hydrogen 3.700 N/A SER 451.A N ARG 537.A O no hydrogen 2.770 N/A SER 451.A OG ASP 534.A O no hydrogen 2.937 N/A SER 451.A OG ARG 537.A O no hydrogen 3.368 N/A VAL 452.A N GLU 517.A OE2 no hydrogen 2.452 N/A GLY 453.A N GLU 517.A OE1 no hydrogen 2.672 N/A THR 454.A OG1 GLU 517.A OE1 no hydrogen 3.494 N/A ILE 460.A N PRO 456.A O no hydrogen 2.918 N/A THR 461.A N MET 457.A O no hydrogen 2.916 N/A THR 461.A OG1 MET 457.A O no hydrogen 3.099 N/A PHE 462.A N PRO 458.A O no hydrogen 2.904 N/A LEU 463.A N ILE 459.A O no hydrogen 2.893 N/A SER 464.A N ILE 460.A O no hydrogen 2.913 N/A SER 464.A OG ILE 460.A O no hydrogen 3.325 N/A SER 464.A OG THR 461.A O no hydrogen 2.768 N/A GLU 465.A N THR 461.A O no hydrogen 2.913 N/A TRP 466.A N LEU 463.A O no hydrogen 2.986 N/A ASP 473.A N PRO 470.A O no hydrogen 3.013 N/A GLN 478.A N VAL 475.A O no hydrogen 3.210 N/A SER 479.A N PRO 476.A O no hydrogen 3.421 N/A SER 479.A OG VAL 475.A O no hydrogen 3.277 N/A ARG 484.A NE GLU 528.A OE2 no hydrogen 3.459 N/A VAL 485.A N GLY 493.A O no hydrogen 2.866 N/A PHE 486.A N LEU 529.A O no hydrogen 2.481 N/A VAL 487.A N VAL 490.A O no hydrogen 2.845 N/A ASN 488.A N ILE 531.A O no hydrogen 2.963 N/A VAL 490.A N VAL 487.A O no hydrogen 3.056 N/A HIS 492.A N VAL 485.A O no hydrogen 3.267 N/A HIS 495.A ND1 GLY 467.A O no hydrogen 2.411 N/A ARG 496.A NE GLU 469.A OE2 no hydrogen 3.056 N/A ARG 496.A NH2 GLU 469.A OE1 no hydrogen 3.541 N/A ARG 496.A NH2 GLU 469.A OE2 no hydrogen 2.776 N/A MET 502.A N PRO 498.A O no hydrogen 2.892 N/A GLU 503.A N ALA 499.A O no hydrogen 2.914 N/A THR 504.A N ARG 500.A O no hydrogen 2.913 N/A THR 504.A OG1 ARG 500.A O no hydrogen 2.724 N/A LEU 505.A N LEU 501.A O no hydrogen 2.901 N/A ARG 506.A N MET 502.A O no hydrogen 2.910 N/A THR 507.A N GLU 503.A O no hydrogen 2.916 N/A THR 507.A OG1 GLU 503.A O no hydrogen 2.544 N/A LEU 508.A N THR 504.A O no hydrogen 2.909 N/A ARG 509.A N LEU 505.A O no hydrogen 2.913 N/A ARG 509.A NH1 GLU 593.A OE2 no hydrogen 3.245 N/A ARG 509.A NH2 VAL 518.A O no hydrogen 3.479 N/A ARG 509.A NH2 GLU 593.A OE1 no hydrogen 2.782 N/A ARG 509.A NH2 GLU 593.A OE2 no hydrogen 2.818 N/A ARG 510.A N ARG 506.A O no hydrogen 2.920 N/A ARG 510.A NE GLU 587.A OE2 no hydrogen 2.441 N/A ARG 510.A NH1 GLU 546.A OE1 no hydrogen 3.243 N/A ARG 510.A NH2 GLU 587.A OE2 no hydrogen 3.206 N/A LYS 511.A N THR 507.A O no hydrogen 2.898 N/A GLY 512.A N LEU 508.A O no hydrogen 2.775 N/A ILE 514.A N LEU 508.A O no hydrogen 3.271 N/A ASN 515.A ND2 THR 454.A OG1 no hydrogen 3.132 N/A VAL 518.A N ASN 515.A O no hydrogen 2.787 N/A SER 519.A N PHE 532.A O no hydrogen 2.930 N/A MET 520.A N GLU 593.A OE1 no hydrogen 3.475 N/A ILE 521.A N LYS 530.A O no hydrogen 2.881 N/A ASP 523.A N GLU 528.A O no hydrogen 2.902 N/A LYS 527.A N ILE 524.A O no hydrogen 2.805 N/A LYS 527.A NZ PRO 480.A O no hydrogen 3.253 N/A GLU 528.A N ASP 523.A O no hydrogen 2.921 N/A LEU 529.A N ARG 484.A O no hydrogen 2.981 N/A LYS 530.A N ILE 521.A O no hydrogen 2.910 N/A ILE 531.A N PHE 486.A O no hydrogen 2.626 N/A PHE 532.A N SER 519.A O no hydrogen 2.893 N/A THR 533.A N ASN 488.A OD1 no hydrogen 2.707 N/A GLY 536.A N SER 451.A O no hydrogen 2.867 N/A ARG 537.A N SER 451.A OG no hydrogen 2.566 N/A ARG 537.A NE ASP 534.A O no hydrogen 2.785 N/A ARG 537.A NH1 GLU 517.A O no hydrogen 3.279 N/A ARG 537.A NH2 GLU 517.A O no hydrogen 2.857 N/A ARG 537.A NH2 ASP 534.A O no hydrogen 3.360 N/A TYR 539.A N CYS 449.A O no hydrogen 2.889 N/A ARG 540.A N ILE 589.A O no hydrogen 2.910 N/A ARG 540.A NE GLU 594.A OE2 no hydrogen 2.886 N/A ARG 540.A NH1 GLU 629.A OE2 no hydrogen 2.281 N/A ARG 540.A NH2 GLU 594.A OE2 no hydrogen 2.815 N/A ARG 540.A NH2 GLU 629.A OE1 no hydrogen 3.542 N/A LEU 542.A N GLU 587.A O no hydrogen 2.898 N/A PHE 543.A N CYS 628.A O no hydrogen 2.954 N/A ILE 544.A N LEU 585.A O no hydrogen 3.158 N/A VAL 545.A N THR 626.A O no hydrogen 2.823 N/A GLY 552.A N SER 550.A O no hydrogen 2.801 N/A GLU 555.A N GLU 546.A O no hydrogen 3.385 N/A LYS 557.A N ILE 544.A O no hydrogen 3.178 N/A ARG 559.A N HIS 562.A ND1 no hydrogen 3.117 N/A ARG 559.A NE LEU 556.A O no hydrogen 2.566 N/A ARG 559.A NH1 SER 3.A O no hydrogen 3.071 N/A ARG 559.A NH1 GLU 549.A OE1 no hydrogen 3.529 N/A ARG 559.A NH1 GLU 549.A OE2 no hydrogen 3.509 N/A ARG 559.A NH2 GLU 549.A OE1 no hydrogen 2.596 N/A ARG 559.A NH2 LEU 556.A O no hydrogen 3.416 N/A LYS 560.A N ALA 4.A O no hydrogen 2.871 N/A LYS 560.A NZ ASP 10.A OD2 no hydrogen 3.198 N/A ILE 563.A N ARG 559.A O no hydrogen 3.257 N/A ALA 564.A N LYS 560.A O no hydrogen 2.898 N/A LYS 565.A N GLY 561.A O no hydrogen 2.917 N/A LEU 566.A N HIS 562.A O no hydrogen 2.910 N/A MET 567.A N ILE 563.A O no hydrogen 2.905 N/A ALA 568.A N ALA 564.A O no hydrogen 2.907 N/A THR 569.A N LYS 565.A O no hydrogen 2.923 N/A THR 569.A OG1 LYS 565.A O no hydrogen 3.018 N/A THR 569.A OG1 TYR 575.A O no hydrogen 2.990 N/A GLU 570.A N LEU 566.A O no hydrogen 2.901 N/A TYR 571.A N MET 567.A O no hydrogen 2.896 N/A GLN 572.A N ALA 568.A O no hydrogen 2.920 N/A ASP 573.A N THR 569.A O no hydrogen 3.092 N/A TYR 575.A N THR 569.A OG1 no hydrogen 3.034 N/A TYR 575.A OH GLU 583.A OE1 no hydrogen 2.626 N/A THR 576.A OG1 GLU 21.A OE1 no hydrogen 3.137 N/A TRP 577.A NE1 TYR 588.A OH no hydrogen 3.007 N/A SER 578.A N GLU 21.A OE1 no hydrogen 2.911 N/A SER 578.A OG GLU 21.A OE2 no hydrogen 2.424 N/A SER 579.A OG THR 576.A O no hydrogen 2.266 N/A LEU 580.A N THR 576.A O no hydrogen 3.408 N/A LEU 581.A N TRP 577.A O no hydrogen 2.911 N/A ASN 582.A N SER 578.A O no hydrogen 2.897 N/A GLU 583.A N SER 579.A O no hydrogen 3.075 N/A LEU 585.A N LEU 580.A O no hydrogen 3.161 N/A GLU 587.A N LEU 542.A O no hydrogen 2.920 N/A ILE 589.A N ARG 540.A O no hydrogen 2.910 N/A GLU 593.A N ASP 590.A OD1 no hydrogen 3.395 N/A GLU 594.A N ASP 590.A O no hydrogen 2.771 N/A SER 596.A N GLU 593.A O no hydrogen 3.242 N/A SER 596.A OG GLU 593.A O no hydrogen 3.212 N/A LEU 598.A N THR 626.A OG1 no hydrogen 3.218 N/A ALA 600.A N HIS 627.A O no hydrogen 2.875 N/A ASP 605.A N GLN 602.A O no hydrogen 3.075 N/A ALA 613.A N ASP 611.A OD1 no hydrogen 3.082 N/A LYS 614.A N ASP 611.A O no hydrogen 3.163 N/A LYS 614.A NZ ASP 611.A OD2 no hydrogen 3.025 N/A ARG 615.A NH1 ASP 647.A OD2 no hydrogen 2.565 N/A ARG 615.A NH2 ASP 647.A OD2 no hydrogen 2.776 N/A PHE 625.A N THR 623.A O no hydrogen 2.615 N/A THR 626.A N LEU 598.A O no hydrogen 3.096 N/A THR 626.A OG1 HIS 627.A ND1 no hydrogen 3.028 N/A HIS 627.A N LEU 598.A O no hydrogen 3.451 N/A HIS 627.A ND1 THR 626.A OG1 no hydrogen 3.028 N/A HIS 627.A NE2 GLU 587.A OE1 no hydrogen 2.636 N/A CYS 628.A N PHE 543.A O no hydrogen 2.920 N/A CYS 628.A SG ALA 600.A O no hydrogen 3.641 N/A CYS 628.A SG GLU 629.A O no hydrogen 3.487 N/A GLU 629.A N ALA 600.A O no hydrogen 2.816 N/A SER 633.A N HIS 631.A ND1 no hydrogen 3.159 N/A SER 633.A OG HIS 631.A ND1 no hydrogen 2.560 N/A MET 634.A N HIS 631.A O no hydrogen 3.028 N/A ILE 635.A N PRO 632.A O no hydrogen 2.934 N/A ALA 639.A N GLU 431.A OE1 no hydrogen 3.439 N/A SER 641.A OG GLY 637.A O no hydrogen 2.374 N/A ILE 642.A N ALA 639.A O no hydrogen 3.457 N/A ILE 643.A N ALA 640.A O no hydrogen 3.253 N/A PHE 645.A N ALA 921.A O no hydrogen 2.891 N/A HIS 648.A N PHE 645.A O no hydrogen 2.970 N/A HIS 648.A ND1 ASP 647.A OD1 no hydrogen 3.017 N/A ASN 649.A N PRO 646.A O no hydrogen 3.375 N/A ARG 653.A N GLN 650.A O no hydrogen 2.773 N/A ASN 654.A ND2 PRO 646.A O no hydrogen 2.797 N/A THR 655.A N SER 651.A O no hydrogen 2.944 N/A THR 655.A OG1 ALA 430.A O no hydrogen 3.005 N/A THR 655.A OG1 SER 651.A O no hydrogen 3.358 N/A TYR 656.A N PRO 652.A O no hydrogen 2.892 N/A GLN 657.A N ARG 653.A O no hydrogen 2.910 N/A GLN 657.A NE2 GLN 970.A OE1 no hydrogen 2.933 N/A SER 658.A N ASN 654.A O no hydrogen 2.909 N/A SER 658.A OG ASN 654.A O no hydrogen 2.612 N/A ALA 659.A N THR 655.A O no hydrogen 2.933 N/A ALA 659.A N TYR 656.A O no hydrogen 3.076 N/A MET 660.A N TYR 656.A O no hydrogen 2.892 N/A GLY 661.A N GLN 657.A O no hydrogen 2.904 N/A LYS 662.A N ALA 659.A O no hydrogen 3.395 N/A LYS 662.A NZ GLU 431.A OE2 no hydrogen 3.456 N/A GLN 663.A N MET 660.A O no hydrogen 3.072 N/A MET 665.A N ARG 971.A O no hydrogen 3.029 N/A ASN 671.A ND2 LYS 127.A O no hydrogen 2.912 N/A VAL 674.A N ASN 671.A O no hydrogen 3.139 N/A ARG 675.A NH1 ASP 677.A OD2 no hydrogen 2.575 N/A ALA 680.A N PHE 743.A O no hydrogen 2.923 N/A ILE 682.A N LEU 741.A O no hydrogen 2.932 N/A TYR 684.A N ARG 739.A O no hydrogen 2.917 N/A TYR 684.A OH THR 848.A OG1 no hydrogen 2.736 N/A GLN 687.A N GLY 707.A O no hydrogen 3.303 N/A LEU 690.A N ASN 709.A OD1 no hydrogen 3.021 N/A THR 692.A N GLY 919.A O no hydrogen 2.872 N/A THR 692.A OG1 GLU 918.A OE1 no hydrogen 2.663 N/A THR 693.A OG1 SER 641.A O no hydrogen 3.165 N/A ARG 694.A N SER 922.A OG no hydrogen 2.846 N/A ARG 694.A NH1 GLU 9.A OE1 no hydrogen 2.327 N/A MET 696.A N THR 693.A O no hydrogen 3.088 N/A TYR 698.A N ALA 695.A O no hydrogen 3.372 N/A TYR 698.A OH SER 16.A OG no hydrogen 2.739 N/A LEU 699.A N MET 696.A O no hydrogen 3.090 N/A PHE 701.A N MET 696.A O no hydrogen 3.448 N/A GLU 703.A N LYS 700.A O no hydrogen 3.280 N/A LEU 704.A N LYS 700.A O no hydrogen 2.859 N/A GLN 708.A N TYR 969.A O no hydrogen 2.895 N/A GLN 708.A NE2 TYR 685.A O no hydrogen 2.598 N/A ASN 709.A N GLN 687.A OE1 no hydrogen 3.068 N/A ALA 710.A N THR 967.A O no hydrogen 2.916 N/A ILE 711.A N ASP 886.A OD2 no hydrogen 3.233 N/A VAL 712.A N GLY 965.A O no hydrogen 2.895 N/A ALA 713.A N LEU 887.A O no hydrogen 2.892 N/A ILE 714.A N PHE 963.A O no hydrogen 2.931 N/A ALA 715.A N ILE 889.A O no hydrogen 2.844 N/A TYR 717.A OH ASP 875.A O no hydrogen 2.595 N/A SER 718.A OG TYR 871.A OH no hydrogen 2.824 N/A ASN 721.A ND2 ALA 715.A O no hydrogen 3.177 N/A ASN 721.A ND2 ILE 888.A O no hydrogen 3.632 N/A GLN 722.A NE2 GLY 719.A O no hydrogen 3.055 N/A SER 725.A OG GLN 722.A O no hydrogen 2.720 N/A MET 726.A N THR 866.A O no hydrogen 2.782 N/A ILE 727.A N ILE 888.A O no hydrogen 2.928 N/A MET 728.A N ILE 869.A O no hydrogen 3.200 N/A ASN 729.A N ASP 886.A O no hydrogen 3.053 N/A GLN 730.A N TYR 871.A O no hydrogen 2.705 N/A SER 732.A N ASN 729.A OD1 no hydrogen 2.652 N/A SER 732.A OG ASN 729.A O no hydrogen 2.543 N/A SER 732.A OG ASN 729.A OD1 no hydrogen 3.189 N/A ILE 733.A N ASN 729.A O no hydrogen 3.094 N/A ASP 734.A N GLN 730.A O no hydrogen 2.917 N/A ARG 735.A N SER 731.A O no hydrogen 3.193 N/A ARG 735.A N SER 732.A O no hydrogen 3.056 N/A GLY 736.A N ILE 733.A O no hydrogen 3.096 N/A LEU 737.A N SER 732.A O no hydrogen 3.074 N/A PHE 738.A N GLN 708.A OE1 no hydrogen 2.773 N/A ARG 739.A NE ILE 733.A O no hydrogen 3.488 N/A SER 740.A N LYS 849.A O no hydrogen 2.955 N/A SER 740.A OG LYS 849.A O no hydrogen 3.408 N/A LEU 741.A N ILE 682.A O no hydrogen 2.852 N/A PHE 742.A N THR 847.A O no hydrogen 2.887 N/A PHE 743.A N ALA 680.A O no hydrogen 2.901 N/A ARG 744.A N VAL 845.A O no hydrogen 2.919 N/A SER 745.A N THR 678.A O no hydrogen 2.883 N/A SER 745.A OG ASP 677.A O no hydrogen 2.758 N/A TYR 746.A N VAL 843.A O no hydrogen 2.894 N/A ASP 748.A N VAL 841.A O no hydrogen 2.930 N/A GLN 749.A N ASP 748.A OD1 no hydrogen 2.510 N/A GLU 750.A N LYS 839.A O no hydrogen 3.312 N/A LYS 751.A N GLU 759.A OE1 no hydrogen 3.248 N/A SER 756.A N TYR 753.A O no hydrogen 3.234 N/A GLU 759.A N LYS 751.A O no hydrogen 3.204 N/A THR 760.A N THR 802.A O no hydrogen 3.252 N/A PHE 761.A N GLU 750.A OE2 no hydrogen 3.075 N/A GLU 762.A N GLY 800.A O no hydrogen 2.927 N/A THR 767.A OG1 TYR 808.A OH no hydrogen 2.911 N/A ASN 768.A N GLN 765.A O no hydrogen 3.184 N/A THR 769.A OG1 GLN 765.A O no hydrogen 3.283 N/A LEU 770.A N LYS 811.A O no hydrogen 2.670 N/A MET 772.A N LEU 770.A O no hydrogen 2.507 N/A THR 776.A OG1 ASP 796.A OD1 no hydrogen 3.559 N/A TYR 777.A OH ASP 813.A OD2 no hydrogen 3.086 N/A LYS 779.A NZ ARG 791.A O no hydrogen 2.733 N/A LYS 779.A NZ ASP 796.A OD2 no hydrogen 2.610 N/A LEU 780.A N TYR 777.A O no hydrogen 2.894 N/A ASP 781.A N LEU 785.A O no hydrogen 2.892 N/A GLY 784.A N ASP 781.A O no hydrogen 3.153 N/A VAL 790.A N ALA 787.A O no hydrogen 3.238 N/A VAL 792.A N GLY 824.A O no hydrogen 2.886 N/A SER 793.A N ASP 796.A OD2 no hydrogen 3.033 N/A VAL 797.A N THR 776.A O no hydrogen 3.400 N/A ILE 798.A N THR 816.A O no hydrogen 2.876 N/A ILE 799.A N THR 816.A O no hydrogen 3.368 N/A GLY 800.A N GLY 784.A O no hydrogen 2.775 N/A LYS 801.A NZ ASP 748.A OD1 no hydrogen 2.722 N/A LYS 801.A NZ GLN 749.A O no hydrogen 3.017 N/A LYS 801.A NZ GLU 759.A OE1 no hydrogen 2.989 N/A THR 802.A N THR 760.A O no hydrogen 3.139 N/A THR 802.A OG1 GLU 762.A OE2 no hydrogen 2.802 N/A THR 803.A N ARG 812.A O no hydrogen 2.827 N/A ARG 812.A N THR 803.A O no hydrogen 2.724 N/A ALA 814.A N LYS 801.A O no hydrogen 2.759 N/A SER 815.A N ASP 813.A OD1 no hydrogen 3.349 N/A SER 815.A OG ASP 813.A OD2 no hydrogen 2.778 N/A THR 816.A N ILE 799.A O no hydrogen 2.807 N/A THR 816.A OG1 ASP 748.A OD2 no hydrogen 3.239 N/A LEU 818.A N ASP 796.A O no hydrogen 2.548 N/A ARG 819.A N TYR 746.A OH no hydrogen 3.448 N/A GLU 822.A N ARG 819.A O no hydrogen 3.160 N/A GLY 824.A N VAL 792.A O no hydrogen 2.901 N/A ILE 825.A N ARG 846.A O no hydrogen 2.822 N/A VAL 826.A N VAL 790.A O no hydrogen 3.417 N/A ASP 827.A N ARG 844.A O no hydrogen 2.640 N/A GLN 828.A N ARG 844.A O no hydrogen 2.955 N/A LEU 830.A N LYS 842.A O no hydrogen 2.890 N/A THR 832.A N PHE 840.A O no hydrogen 2.941 N/A THR 833.A OG1 ASN 834.A O no hydrogen 3.365 N/A ASN 834.A N LEU 838.A O no hydrogen 2.550 N/A GLN 835.A N ASN 834.A OD1 no hydrogen 2.692 N/A GLY 837.A N ASN 834.A O no hydrogen 3.143 N/A PHE 840.A N THR 832.A O no hydrogen 2.893 N/A VAL 841.A N ASP 748.A O no hydrogen 2.902 N/A LYS 842.A N LEU 830.A O no hydrogen 2.906 N/A LYS 842.A NZ LEU 82.A O no hydrogen 3.072 N/A LYS 842.A NZ ASN 84.A OD1 no hydrogen 2.721 N/A VAL 843.A N TYR 746.A O no hydrogen 2.874 N/A ARG 844.A N GLN 828.A O no hydrogen 2.871 N/A ARG 844.A NE ASP 827.A OD2 no hydrogen 2.904 N/A ARG 844.A NH1 ASN 673.A O no hydrogen 3.233 N/A ARG 844.A NH1 ARG 675.A O no hydrogen 2.897 N/A ARG 844.A NH2 ASN 673.A O no hydrogen 3.182 N/A ARG 844.A NH2 ASP 827.A OD2 no hydrogen 2.506 N/A VAL 845.A N ARG 744.A O no hydrogen 2.882 N/A ARG 846.A N ILE 825.A O no hydrogen 2.584 N/A ARG 846.A NE ASP 827.A OD1 no hydrogen 2.988 N/A THR 847.A N PHE 742.A O no hydrogen 2.895 N/A THR 847.A OG1 ASN 823.A O no hydrogen 2.389 N/A THR 848.A OG1 TYR 684.A OH no hydrogen 2.736 N/A LYS 849.A N SER 740.A O no hydrogen 2.874 N/A LYS 849.A NZ ASP 978.A OD1 no hydrogen 3.505 N/A LYS 849.A NZ ASP 978.A OD2 no hydrogen 2.926 N/A GLN 852.A N ASP 855.A OD2 no hydrogen 3.202 N/A ASP 855.A N GLN 852.A O no hydrogen 3.119 N/A LYS 856.A N HIS 974.A O no hydrogen 3.022 N/A PHE 857.A N GLY 865.A O no hydrogen 2.900 N/A ALA 858.A N GLN 970.A O no hydrogen 3.157 N/A SER 859.A N GLN 863.A O no hydrogen 3.466 N/A SER 859.A OG HIS 902.A ND1 no hydrogen 3.295 N/A ARG 860.A NE ILE 642.A O no hydrogen 2.978 N/A ARG 860.A NH1 GLU 905.A OE1 no hydrogen 2.350 N/A HIS 861.A NE2 PRO 644.A O no hydrogen 3.007 N/A GLY 862.A N GLN 657.A OE1 no hydrogen 3.508 N/A GLN 863.A NE2 ALA 893.A O no hydrogen 3.177 N/A GLY 865.A N PHE 857.A O no hydrogen 2.894 N/A ILE 867.A N ASP 855.A O no hydrogen 3.230 N/A GLY 868.A N MET 726.A O no hydrogen 2.629 N/A THR 870.A OG1 GLN 730.A OE1 no hydrogen 3.105 N/A TYR 871.A N MET 728.A O no hydrogen 3.115 N/A TYR 871.A OH SER 718.A OG no hydrogen 2.824 N/A ARG 873.A N SER 731.A OG no hydrogen 2.964 N/A MET 876.A N ARG 872.A O no hydrogen 3.148 N/A PHE 878.A N TYR 950.A O no hydrogen 3.075 N/A THR 879.A N ILE 883.A O no hydrogen 3.342 N/A THR 879.A OG1 GLU 947.A OE2 no hydrogen 3.242 N/A GLY 882.A N THR 879.A O no hydrogen 2.909 N/A ASP 886.A N ILE 711.A O no hydrogen 2.868 N/A ILE 888.A N ILE 727.A O no hydrogen 2.565 N/A ILE 889.A N ALA 713.A O no hydrogen 2.916 N/A ASN 890.A ND2 ASN 721.A OD1 no hydrogen 3.361 N/A HIS 892.A N ASN 890.A OD1 no hydrogen 2.964 N/A HIS 892.A ND1 ASN 890.A OD1 no hydrogen 2.472 N/A ALA 893.A N ASN 890.A O no hydrogen 3.221 N/A ILE 894.A N PRO 891.A O no hydrogen 2.940 N/A MET 898.A N ILE 894.A O no hydrogen 2.969 N/A THR 899.A OG1 GLN 863.A OE1 no hydrogen 2.827 N/A HIS 902.A N THR 899.A O no hydrogen 3.116 N/A ILE 904.A N VAL 900.A O no hydrogen 2.923 N/A GLU 905.A N ALA 901.A O no hydrogen 2.885 N/A CYS 906.A N HIS 902.A O no hydrogen 2.918 N/A CYS 906.A SG PRO 966.A O no hydrogen 3.841 N/A LEU 907.A N LEU 903.A O no hydrogen 2.923 N/A LEU 908.A N ILE 904.A O no hydrogen 2.917 N/A SER 909.A N GLU 905.A O no hydrogen 2.858 N/A SER 909.A OG GLU 905.A O no hydrogen 2.754 N/A LYS 910.A N CYS 906.A O no hydrogen 2.924 N/A LYS 910.A NZ GLY 945.A O no hydrogen 3.315 N/A LYS 910.A NZ GLU 947.A OE1 no hydrogen 2.604 N/A LYS 910.A NZ PHE 964.A O no hydrogen 3.121 N/A VAL 911.A N LEU 907.A O no hydrogen 2.949 N/A ALA 912.A N LEU 908.A O no hydrogen 2.883 N/A ALA 913.A N SER 909.A O no hydrogen 2.888 N/A LEU 914.A N LYS 910.A O no hydrogen 2.944 N/A SER 915.A N VAL 911.A O no hydrogen 2.887 N/A SER 915.A OG VAL 911.A O no hydrogen 2.759 N/A SER 915.A OG ASN 917.A OD1 no hydrogen 3.160 N/A GLY 916.A N ALA 913.A O no hydrogen 3.243 N/A GLY 919.A N LEU 690.A O no hydrogen 2.929 N/A ALA 921.A N THR 692.A O no hydrogen 2.710 N/A SER 922.A N ASP 920.A OD1 no hydrogen 3.287 N/A SER 922.A OG ASP 920.A OD1 no hydrogen 2.574 N/A THR 925.A N PRO 923.A O no hydrogen 3.031 N/A THR 925.A OG1 SER 922.A O no hydrogen 3.277 N/A THR 928.A OG1 ASP 926.A O no hydrogen 3.020 N/A ILE 932.A N THR 928.A O no hydrogen 3.282 N/A SER 933.A N VAL 929.A O no hydrogen 2.889 N/A SER 933.A OG VAL 929.A O no hydrogen 2.619 N/A SER 933.A OG SER 943.A O no hydrogen 2.992 N/A LYS 934.A N GLU 930.A O no hydrogen 2.907 N/A LEU 935.A N GLY 931.A O no hydrogen 2.920 N/A LEU 936.A N ILE 932.A O no hydrogen 2.895 N/A ARG 937.A N SER 933.A O no hydrogen 2.905 N/A GLU 938.A N LYS 934.A O no hydrogen 2.913 N/A HIS 939.A N LEU 936.A O no hydrogen 3.242 N/A HIS 939.A ND1 LEU 935.A O no hydrogen 2.860 N/A GLY 940.A N ARG 937.A O no hydrogen 3.043 N/A TYR 941.A N LEU 936.A O no hydrogen 3.314 N/A TYR 941.A OH GLU 881.A OE1 no hydrogen 3.392 N/A TYR 941.A OH GLU 881.A OE2 no hydrogen 3.124 N/A ARG 944.A N GLN 942.A OE1 no hydrogen 3.398 N/A ARG 944.A NH2 GLU 930.A OE1 no hydrogen 3.430 N/A ARG 944.A NH2 GLU 930.A OE2 no hydrogen 3.298 N/A GLY 945.A N GLN 942.A O no hydrogen 2.980 N/A GLU 947.A N ILE 962.A O no hydrogen 3.128 N/A TYR 950.A N PHE 878.A O no hydrogen 2.705 N/A ASN 951.A N LYS 956.A O no hydrogen 2.934 N/A GLY 952.A N TYR 717.A OH no hydrogen 3.181 N/A HIS 953.A N ASN 951.A OD1 no hydrogen 2.871 N/A THR 954.A N ASN 951.A OD1 no hydrogen 3.053 N/A GLY 955.A N ASN 951.A O no hydrogen 2.680 N/A LEU 958.A N MET 949.A O no hydrogen 3.049 N/A GLN 961.A NE2 MET 959.A O no hydrogen 2.666 N/A ILE 962.A N GLU 947.A O no hydrogen 3.259 N/A PHE 964.A N GLY 945.A O no hydrogen 3.421 N/A GLY 965.A N VAL 712.A O no hydrogen 2.931 N/A THR 967.A N ALA 710.A O no hydrogen 2.899 N/A TYR 968.A OH GLN 687.A O no hydrogen 3.379 N/A TYR 968.A OH GLY 707.A O no hydrogen 3.150 N/A TYR 969.A N GLN 708.A O no hydrogen 2.906 N/A GLN 970.A N ALA 858.A O no hydrogen 2.937 N/A GLN 970.A NE2 ALA 706.A O no hydrogen 3.262 N/A ARG 971.A NH1 SER 740.A OG no hydrogen 2.903 N/A ARG 971.A NH2 ASP 855.A OD2 no hydrogen 2.399 N/A LEU 972.A N LYS 856.A O no hydrogen 3.018 N/A ASP 978.A N MET 975.A O no hydrogen 3.067 N/A LYS 979.A N VAL 976.A O no hydrogen 2.915 N/A LYS 979.A NZ HIS 974.A ND1 no hydrogen 3.289 N/A ILE 980.A N VAL 976.A O no hydrogen 2.732 N/A HIS 981.A NE2 GLY 1003.A O no hydrogen 2.683 N/A ARG 983.A NH1 PRO 987.A O no hydrogen 2.844 N/A ARG 983.A NH1 ASP 1002.A O no hydrogen 3.163 N/A ARG 983.A NH2 PRO 987.A O no hydrogen 3.195 N/A GLN 989.A N GLN 994.A O no hydrogen 2.677 N/A THR 992.A OG1 GLN 989.A OE1 no hydrogen 3.263 N/A GLN 994.A NE2 ASP 1033.A OD2 no hydrogen 3.424 N/A VAL 996.A N PRO 987.A O no hydrogen 3.213 N/A ARG 999.A NH1 ILE 980.A O no hydrogen 2.841 N/A ASP 1002.A N ARG 999.A O no hydrogen 3.163 N/A GLY 1003.A N GLY 998.A O no hydrogen 2.753 N/A GLY 1004.A N VAL 996.A O no hydrogen 3.318 N/A ARG 1012.A N GLY 1008.A O no hydrogen 3.145 N/A ASP 1013.A N GLU 1009.A O no hydrogen 2.904 N/A CYS 1014.A N MET 1010.A O no hydrogen 2.916 N/A CYS 1014.A SG MET 1010.A O no hydrogen 3.258 N/A MET 1015.A N GLU 1011.A O no hydrogen 2.936 N/A ILE 1016.A N ARG 1012.A O no hydrogen 2.901 N/A ALA 1017.A N ASP 1013.A O no hydrogen 2.909 N/A HIS 1018.A N CYS 1014.A O no hydrogen 2.918 N/A GLY 1019.A N MET 1015.A O no hydrogen 2.955 N/A LYS 1025.A N ALA 1021.A O no hydrogen 2.906 N/A GLU 1026.A N SER 1022.A O no hydrogen 2.900 N/A ARG 1027.A N PHE 1023.A O no hydrogen 2.909 N/A LEU 1028.A N LEU 1024.A O no hydrogen 3.233 N/A LEU 1028.A N LYS 1025.A O no hydrogen 3.259 N/A MET 1029.A N GLU 1026.A O no hydrogen 3.424 N/A GLU 1030.A N GLU 1030.A OE2 no hydrogen 2.751 N/A ALA 1031.A N GLU 1026.A O no hydrogen 2.913 N/A SER 1032.A N MET 1029.A O no hydrogen 3.054 N/A SER 1032.A OG ASP 1033.A OD1 no hydrogen 2.981 N/A ASP 1033.A N ASP 1033.A OD1 no hydrogen 2.524 N/A PHE 1035.A N ILE 1073.A O no hydrogen 2.915 N/A VAL 1037.A N ILE 1071.A O no hydrogen 2.931 N/A ILE 1039.A N TYR 1069.A O no hydrogen 2.906 N/A CYS 1040.A N LEU 1045.A O no hydrogen 3.443 N/A GLY 1041.A N ASP 1067.A O no hydrogen 3.207 N/A ILE 1049.A N GLU 1058.A O no hydrogen 2.903 N/A LYS 1051.A N GLN 1056.A O no hydrogen 2.899 N/A LYS 1051.A NZ GLN 1056.A OE1 no hydrogen 2.905 N/A GLN 1056.A N LYS 1051.A O no hydrogen 2.923 N/A GLU 1058.A N ILE 1049.A O no hydrogen 2.916 N/A CYS 1062.A N CYS 1059.A O no hydrogen 3.480 N/A ASP 1063.A N CYS 1059.A O no hydrogen 3.263 N/A ASN 1064.A ND2 ASP 1067.A O no hydrogen 2.536 N/A ASP 1067.A N ASN 1064.A OD1 no hydrogen 2.890 N/A TYR 1069.A N ILE 1039.A O no hydrogen 2.903 N/A ILE 1071.A N VAL 1037.A O no hydrogen 2.911 N/A ILE 1073.A N PHE 1035.A O no hydrogen 2.906 N/A ALA 1076.A N ASP 1033.A OD2 no hydrogen 2.950 N/A ALA 1077.A N PRO 1074.A O no hydrogen 2.988 N/A LYS 1078.A N PRO 1074.A O no hydrogen 3.120 N/A LYS 1078.A NZ TYR 1075.A OH no hydrogen 3.129 N/A LEU 1079.A N TYR 1075.A O no hydrogen 2.899 N/A LEU 1080.A N ALA 1076.A O no hydrogen 2.898 N/A PHE 1081.A N ALA 1077.A O no hydrogen 2.904 N/A GLN 1082.A N LYS 1078.A O no hydrogen 2.920 N/A GLU 1083.A N LEU 1079.A O no hydrogen 2.889 N/A LEU 1084.A N LEU 1080.A O no hydrogen 2.901 N/A MET 1085.A N PHE 1081.A O no hydrogen 2.912 N/A ALA 1086.A N GLN 1082.A O no hydrogen 2.903 N/A MET 1087.A N LEU 1084.A O no hydrogen 3.125 N/A ILE 1089.A N LEU 1084.A O no hydrogen 2.833 N/A THR 1090.A OG1 THR 1090.A O no hydrogen 2.620 N/A ARG 1092.A N THR 1090.A O no hydrogen 2.924 N/A ARG 1092.A NH1 CYS 1043.A O no hydrogen 3.482 N/A LEU 1093.A N GLY 1044.A O no hydrogen 2.707 N/A TYR 1094.A OH ILE 1042.A O no hydrogen 3.038 N/A