Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ua3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASN 1.A O no hydrogen 3.272 N/A ILE 6.A N ASN 35.A OD1 no hydrogen 2.803 N/A GLY 7.A N ILE 256.A O no hydrogen 2.854 N/A TRP 8.A N PHE 36.A O no hydrogen 3.196 N/A TRP 8.A NE1 ASP 13.A OD1 no hydrogen 2.697 N/A ALA 9.A N VAL 38.A O no hydrogen 3.107 N/A THR 10.A N ASP 13.A OD2 no hydrogen 2.914 N/A THR 10.A OG1 ASP 13.A OD1 no hydrogen 3.497 N/A THR 10.A OG1 ASP 13.A OD2 no hydrogen 3.508 N/A ASP 13.A N THR 10.A O no hydrogen 3.211 N/A ARG 20.A N ASN 17.A O no hydrogen 2.944 N/A HIS 21.A N ASN 17.A O no hydrogen 3.166 N/A HIS 21.A N LEU 18.A O no hydrogen 3.111 N/A HIS 21.A ND1 ASN 17.A O no hydrogen 2.858 N/A VAL 22.A N GLN 68.A OE1 no hydrogen 2.871 N/A THR 24.A OG1 HIS 21.A O no hydrogen 3.375 N/A PHE 25.A N HIS 21.A O no hydrogen 3.188 N/A CYS 26.A N VAL 22.A O no hydrogen 2.904 N/A CYS 26.A SG VAL 22.A O no hydrogen 2.863 N/A THR 27.A N ALA 23.A O no hydrogen 2.916 N/A THR 27.A OG1 ALA 23.A O no hydrogen 2.754 N/A ARG 28.A N THR 24.A O no hydrogen 2.914 N/A LEU 29.A N PHE 25.A O no hydrogen 2.881 N/A GLY 30.A N CYS 26.A O no hydrogen 2.890 N/A GLU 31.A N THR 27.A O no hydrogen 2.904 N/A PHE 32.A N ARG 28.A O no hydrogen 3.129 N/A LYS 33.A N GLY 30.A O no hydrogen 2.945 N/A LYS 33.A NZ SER 273.A O no hydrogen 3.057 N/A VAL 37.A N TYR 77.A O no hydrogen 3.143 N/A VAL 38.A N TRP 8.A O no hydrogen 2.830 N/A TYR 39.A OH ASP 19.A OD1 no hydrogen 2.655 N/A ILE 41.A N LYS 81.A O no hydrogen 3.274 N/A GLY 43.A N PRO 40.A O no hydrogen 2.958 N/A VAL 44.A N ASP 19.A OD1 no hydrogen 2.671 N/A ARG 46.A N GLY 43.A O no hydrogen 3.032 N/A ARG 46.A NE GLU 106.A OE2 no hydrogen 2.737 N/A ARG 46.A NH1 PRO 60.A O no hydrogen 2.610 N/A ARG 46.A NH1 HIS 102.A ND1 no hydrogen 3.548 N/A ARG 46.A NH2 HIS 102.A ND1 no hydrogen 2.776 N/A ARG 46.A NH2 GLU 106.A OE2 no hydrogen 3.456 N/A ALA 47.A N GLY 43.A O no hydrogen 2.803 N/A PHE 48.A N VAL 44.A O no hydrogen 3.405 N/A TRP 49.A N ARG 46.A O no hydrogen 3.400 N/A TRP 49.A NE1 ASN 57.A OD1 no hydrogen 3.342 N/A GLU 56.A N SER 54.A OG no hydrogen 3.189 N/A ASN 57.A N SER 54.A O no hydrogen 3.258 N/A ASN 57.A ND2 THR 50.A O no hydrogen 3.212 N/A HIS 58.A ND1 GLU 56.A O no hydrogen 2.633 N/A ASP 63.A N GLY 42.A O no hydrogen 3.112 N/A GLN 68.A NE2 ASP 19.A O no hydrogen 2.687 N/A GLN 68.A NE2 PRO 65.A O no hydrogen 2.781 N/A LEU 69.A N ASP 66.A O no hydrogen 3.186 N/A LEU 73.A N ARG 70.A O no hydrogen 2.771 N/A TRP 74.A N ARG 70.A O no hydrogen 3.403 N/A TRP 74.A NE1 ASP 66.A O no hydrogen 2.785 N/A GLU 75.A N ASN 71.A O no hydrogen 2.933 N/A SER 76.A N ASP 72.A O no hydrogen 2.941 N/A SER 76.A OG ASP 72.A O no hydrogen 3.359 N/A TYR 77.A N LEU 73.A O no hydrogen 2.895 N/A VAL 79.A N VAL 37.A O no hydrogen 2.770 N/A GLY 80.A N THR 117.A O no hydrogen 3.355 N/A LYS 81.A N TYR 39.A O no hydrogen 3.225 N/A ILE 82.A N ALA 118.A O no hydrogen 3.196 N/A SER 83.A N GLU 106.A OE1 no hydrogen 2.778 N/A SER 83.A OG GLU 106.A OE1 no hydrogen 3.237 N/A SER 83.A OG GLU 106.A OE2 no hydrogen 2.477 N/A TRP 85.A NE1 ARG 46.A O no hydrogen 2.886 N/A ILE 86.A N SER 83.A O no hydrogen 3.029 N/A ASP 87.A N SER 99.A OG no hydrogen 2.602 N/A ASP 89.A N ASP 87.A OD2 no hydrogen 3.307 N/A SER 90.A N ASP 87.A O no hydrogen 2.802 N/A SER 90.A OG ASP 92.A O no hydrogen 3.432 N/A ASP 92.A N SER 90.A OG no hydrogen 2.970 N/A ALA 94.A N ASP 92.A OD1 no hydrogen 3.316 N/A ALA 96.A N ASP 92.A O no hydrogen 2.953 N/A SER 97.A N PRO 93.A O no hydrogen 2.917 N/A SER 97.A OG PRO 93.A O no hydrogen 3.233 N/A LEU 98.A N ALA 94.A O no hydrogen 2.925 N/A SER 99.A N PHE 95.A O no hydrogen 2.848 N/A SER 99.A OG PHE 95.A O no hydrogen 3.092 N/A GLU 100.A N ALA 96.A O no hydrogen 2.882 N/A GLU 101.A N SER 97.A O no hydrogen 3.001 N/A HIS 102.A N LEU 98.A O no hydrogen 2.931 N/A LEU 103.A N SER 99.A O no hydrogen 2.839 N/A LEU 104.A N GLU 100.A O no hydrogen 2.937 N/A LYS 105.A N GLU 101.A O no hydrogen 3.029 N/A GLU 106.A N HIS 102.A O no hydrogen 2.905 N/A LEU 107.A N LEU 103.A O no hydrogen 2.901 N/A SER 108.A N LEU 104.A O no hydrogen 2.909 N/A TYR 109.A N LYS 105.A O no hydrogen 2.962 N/A TYR 109.A OH LEU 64.A O no hydrogen 2.694 N/A ILE 110.A N GLU 106.A O no hydrogen 2.914 N/A CYS 111.A N LEU 107.A O no hydrogen 2.991 N/A TYR 112.A N SER 108.A O no hydrogen 2.944 N/A TYR 112.A OH THR 384.A OG1 no hydrogen 2.999 N/A LEU 113.A N TYR 109.A O no hydrogen 2.931 N/A GLY 114.A N CYS 111.A O no hydrogen 2.733 N/A LEU 115.A N ILE 110.A O no hydrogen 3.316 N/A ALA 118.A N GLY 80.A O no hydrogen 2.694 N/A ILE 119.A N TRP 147.A O no hydrogen 2.789 N/A LEU 121.A N GLN 149.A O no hydrogen 2.983 N/A ARG 123.A NE ASP 87.A OD1 no hydrogen 3.363 N/A ARG 123.A NE ASP 87.A OD2 no hydrogen 3.063 N/A ARG 123.A NH2 ASP 87.A OD1 no hydrogen 2.608 N/A ILE 124.A N ASP 159.A OD1 no hydrogen 3.226 N/A ILE 124.A N ASP 159.A OD2 no hydrogen 2.552 N/A SER 125.A N ASP 159.A OD1 no hydrogen 3.234 N/A ARG 128.A N ASP 89.A OD1 no hydrogen 2.844 N/A ARG 128.A NE GLU 100.A OE2 no hydrogen 2.695 N/A ARG 128.A NH2 GLU 100.A OE2 no hydrogen 2.497 N/A THR 129.A N ASP 89.A OD2 no hydrogen 3.183 N/A THR 129.A OG1 ASP 89.A OD2 no hydrogen 3.063 N/A ALA 130.A N SER 126.A O no hydrogen 2.761 N/A ALA 131.A N PRO 127.A O no hydrogen 2.888 N/A ILE 132.A N ARG 128.A O no hydrogen 2.974 N/A LEU 133.A N THR 129.A O no hydrogen 2.895 N/A LYS 134.A N ALA 130.A O no hydrogen 2.807 N/A LYS 134.A NZ GLU 497.A O no hydrogen 3.153 N/A LYS 135.A N ALA 131.A O no hydrogen 3.033 N/A TRP 136.A N ILE 132.A O no hydrogen 2.977 N/A ILE 137.A N LEU 133.A O no hydrogen 2.892 N/A TRP 138.A N LYS 134.A O no hydrogen 2.936 N/A TRP 138.A NE1 CYS 181.A O no hydrogen 2.680 N/A THR 139.A N LYS 135.A O no hydrogen 2.960 N/A THR 139.A N TRP 136.A O no hydrogen 2.729 N/A THR 139.A OG1 LYS 135.A O no hydrogen 2.850 N/A THR 139.A OG1 TRP 136.A O no hydrogen 3.116 N/A ARG 140.A N TRP 136.A O no hydrogen 3.044 N/A ARG 140.A NH2 THR 139.A OG1 no hydrogen 3.393 N/A ARG 143.A NE SER 142.A O no hydrogen 3.057 N/A THR 145.A N GLN 116.A O no hydrogen 3.028 N/A VAL 146.A N TYR 188.A O no hydrogen 2.915 N/A VAL 148.A N GLN 190.A O no hydrogen 2.869 N/A GLN 149.A N ILE 119.A O no hydrogen 3.078 N/A LEU 150.A N ALA 192.A O no hydrogen 3.000 N/A LYS 156.A N ALA 153.A O no hydrogen 3.019 N/A CYS 157.A N ILE 154.A O no hydrogen 3.133 N/A LYS 158.A N THR 122.A O no hydrogen 2.875 N/A TYR 160.A N CYS 157.A O no hydrogen 3.207 N/A PHE 163.A N ASP 161.A OD1 no hydrogen 3.378 N/A THR 164.A N ASP 161.A O no hydrogen 2.842 N/A THR 164.A OG1 ASP 161.A O no hydrogen 3.431 N/A THR 164.A OG1 ASP 161.A OD2 no hydrogen 3.124 N/A GLU 166.A N THR 164.A O no hydrogen 2.851 N/A LEU 170.A N GLU 202.A OE2 no hydrogen 2.881 N/A TRP 171.A N GLU 202.A OE1 no hydrogen 3.484 N/A TRP 171.A NE1 GLU 215.A OE1 no hydrogen 2.696 N/A THR 172.A N ASP 169.A OD1 no hydrogen 2.559 N/A THR 172.A OG1 ASP 169.A OD1 no hydrogen 3.239 N/A ILE 173.A N ASP 169.A O no hydrogen 3.145 N/A TRP 174.A N LEU 170.A O no hydrogen 2.991 N/A ALA 175.A N TRP 171.A O no hydrogen 2.800 N/A ASP 176.A N THR 172.A O no hydrogen 2.897 N/A PHE 177.A N ILE 173.A O no hydrogen 2.950 N/A ARG 178.A N TRP 174.A O no hydrogen 2.872 N/A ARG 178.A NH1 ASN 183.A OD1 no hydrogen 2.972 N/A ARG 178.A NH2 GLU 215.A OE1 no hydrogen 3.192 N/A LYS 179.A N ALA 175.A O no hydrogen 2.942 N/A ASN 180.A N ASP 176.A O no hydrogen 2.907 N/A CYS 181.A N ARG 178.A O no hydrogen 3.332 N/A CYS 181.A SG ALA 130.A O no hydrogen 3.862 N/A CYS 181.A SG PHE 177.A O no hydrogen 3.367 N/A GLY 182.A N LYS 179.A O no hydrogen 2.787 N/A ASN 183.A N ARG 178.A O no hydrogen 3.049 N/A VAL 187.A N SER 185.A OG no hydrogen 3.000 N/A TYR 188.A N SER 185.A O no hydrogen 2.541 N/A PHE 189.A N SER 185.A O no hydrogen 2.597 N/A GLN 190.A N VAL 146.A O no hydrogen 2.885 N/A GLN 190.A NE2 GLY 186.A O no hydrogen 3.392 N/A VAL 191.A N PRO 216.A O no hydrogen 2.922 N/A ALA 192.A N VAL 148.A O no hydrogen 2.884 N/A LEU 193.A N ALA 219.A O no hydrogen 2.804 N/A THR 194.A OG1 LEU 150.A O no hydrogen 2.826 N/A ILE 195.A N VAL 221.A O no hydrogen 2.911 N/A LEU 203.A N PRO 200.A O no hydrogen 3.222 N/A THR 204.A N ASP 201.A O no hydrogen 2.667 N/A THR 204.A OG1 ASP 201.A O no hydrogen 3.095 N/A GLU 205.A N ASP 201.A O no hydrogen 2.721 N/A LYS 207.A NZ GLU 205.A OE1 no hydrogen 3.128 N/A LEU 208.A N GLU 205.A O no hydrogen 2.743 N/A VAL 209.A N GLU 205.A O no hydrogen 3.454 N/A ASP 210.A N LEU 206.A O no hydrogen 3.156 N/A ARG 211.A N LEU 208.A O no hydrogen 3.016 N/A ARG 211.A NH1 GLU 202.A OE1 no hydrogen 3.490 N/A ARG 211.A NH1 LEU 208.A O no hydrogen 3.102 N/A ARG 211.A NH2 GLU 202.A OE1 no hydrogen 3.488 N/A LYS 213.A N ASP 210.A O no hydrogen 3.006 N/A LYS 213.A NZ ASP 210.A OD1 no hydrogen 3.299 N/A ALA 214.A N ARG 211.A O no hydrogen 2.690 N/A LEU 217.A N GLU 215.A O no hydrogen 2.655 N/A ALA 218.A N VAL 191.A O no hydrogen 2.865 N/A VAL 221.A N LEU 193.A O no hydrogen 2.636 N/A ILE 222.A N VAL 257.A O no hydrogen 2.834 N/A GLU 223.A N ILE 195.A O no hydrogen 3.132 N/A SER 224.A N ARG 259.A O no hydrogen 2.759 N/A SER 224.A OG ARG 259.A O no hydrogen 3.328 N/A SER 224.A OG THR 261.A OG1 no hydrogen 2.986 N/A SER 224.A OG THR 262.A OG1 no hydrogen 3.326 N/A SER 229.A OG SER 236.A OG no hydrogen 2.822 N/A ASN 232.A N ASN 232.A OD1 no hydrogen 2.465 N/A GLU 234.A N GLY 230.A O no hydrogen 2.619 N/A SER 236.A OG GLU 234.A O no hydrogen 3.302 N/A ILE 242.A N PRO 238.A O no hydrogen 2.835 N/A ASN 243.A N SER 239.A O no hydrogen 2.900 N/A ASN 243.A ND2 SER 239.A O no hydrogen 2.597 N/A LEU 244.A N ALA 240.A O no hydrogen 2.929 N/A LEU 245.A N HIS 241.A O no hydrogen 2.907 N/A LYS 246.A N ILE 242.A O no hydrogen 2.873 N/A HIS 247.A N ASN 243.A O no hydrogen 2.920 N/A LEU 248.A N LEU 244.A O no hydrogen 3.196 N/A THR 250.A N LEU 248.A O no hydrogen 2.828 N/A THR 250.A OG1 LEU 248.A O no hydrogen 3.537 N/A ALA 253.A N THR 251.A OG1 no hydrogen 2.616 N/A ARG 255.A NH1 THR 117.A OG1 no hydrogen 3.122 N/A ILE 256.A N HIS 5.A O no hydrogen 3.170 N/A VAL 257.A N PHE 220.A O no hydrogen 3.061 N/A LEU 258.A N GLY 7.A O no hydrogen 2.905 N/A ARG 259.A N ILE 222.A O no hydrogen 2.587 N/A THR 261.A N SER 224.A OG no hydrogen 3.009 N/A THR 261.A OG1 SER 224.A OG no hydrogen 2.986 N/A THR 262.A N SER 224.A OG no hydrogen 3.393 N/A THR 262.A OG1 SER 224.A OG no hydrogen 3.326 N/A THR 269.A N PHE 265.A O no hydrogen 2.944 N/A TYR 275.A N ILE 271.A O no hydrogen 2.962 N/A SER 276.A N LYS 272.A O no hydrogen 2.936 N/A SER 276.A OG LYS 272.A O no hydrogen 2.916 N/A GLN 277.A N SER 273.A O no hydrogen 2.946 N/A ALA 278.A N GLU 274.A O no hydrogen 2.958 N/A LEU 279.A N TYR 275.A O no hydrogen 2.908 N/A ARG 280.A N SER 276.A O no hydrogen 2.934 N/A ARG 280.A NE ILE 4.A O no hydrogen 3.032 N/A ARG 280.A NH1 LYS 33.A O no hydrogen 2.903 N/A ARG 280.A NH2 LYS 33.A O no hydrogen 2.980 N/A HIS 281.A N GLN 277.A O no hydrogen 2.937 N/A ALA 282.A N LEU 279.A O no hydrogen 3.229 N/A VAL 283.A N ARG 280.A O no hydrogen 3.529 N/A SER 294.A N GLN 291.A O no hydrogen 3.109 N/A SER 294.A OG ARG 648.A O no hydrogen 3.481 N/A GLU 295.A N GLN 291.A O no hydrogen 2.885 N/A SER 299.A N TYR 112.A O no hydrogen 2.818 N/A SER 299.A OG ASN 71.A OD1 no hydrogen 2.562 N/A SER 299.A OG TYR 112.A O no hydrogen 3.052 N/A TYR 302.A N ASP 298.A O no hydrogen 3.437 N/A ASN 303.A N SER 299.A O no hydrogen 2.866 N/A THR 304.A N GLY 300.A O no hydrogen 2.920 N/A THR 304.A OG1 GLY 300.A O no hydrogen 2.722 N/A PHE 305.A N VAL 301.A O no hydrogen 2.915 N/A GLU 306.A N TYR 302.A O no hydrogen 2.915 N/A GLN 307.A N ASN 303.A O no hydrogen 2.976 N/A GLN 307.A NE2 ASN 303.A OD1 no hydrogen 3.588 N/A ASP 308.A N PHE 305.A O no hydrogen 3.079 N/A GLN 309.A NE2 GLN 307.A O no hydrogen 2.580 N/A LYS 311.A N ASP 308.A OD2 no hydrogen 3.205 N/A LYS 311.A NZ PHE 305.A O no hydrogen 3.318 N/A LYS 311.A NZ SER 585.A OG no hydrogen 3.189 N/A ASP 313.A N GLN 309.A O no hydrogen 2.893 N/A VAL 314.A N ILE 310.A O no hydrogen 2.926 N/A TYR 315.A N LYS 311.A O no hydrogen 2.948 N/A TYR 315.A OH SER 422.A O no hydrogen 2.623 N/A GLY 316.A N TYR 312.A O no hydrogen 2.877 N/A GLU 317.A N ASP 313.A O no hydrogen 2.924 N/A ALA 318.A N VAL 314.A O no hydrogen 2.914 N/A VAL 319.A N TYR 315.A O no hydrogen 2.925 N/A VAL 320.A N GLY 316.A O no hydrogen 2.896 N/A GLY 321.A N GLU 317.A O no hydrogen 2.965 N/A ALA 322.A N ALA 318.A O no hydrogen 2.935 N/A LEU 323.A N VAL 319.A O no hydrogen 2.855 N/A LYS 324.A N GLY 321.A O no hydrogen 3.124 N/A ASP 325.A N GLY 321.A O no hydrogen 2.954 N/A LEU 326.A N ALA 322.A O no hydrogen 2.899 N/A ALA 328.A N LYS 324.A O no hydrogen 2.931 N/A ASP 329.A N LEU 326.A O no hydrogen 3.318 N/A GLY 330.A N GLY 327.A O no hydrogen 2.852 N/A THR 333.A OG1 LYS 369.A O no hydrogen 3.533 N/A VAL 334.A N LYS 369.A O no hydrogen 2.936 N/A VAL 335.A N ASP 418.A OD2 no hydrogen 3.084 N/A ILE 336.A N LYS 371.A O no hydrogen 2.896 N/A TYR 337.A N ILE 419.A O no hydrogen 2.903 N/A TYR 337.A OH GLU 415.A O no hydrogen 3.398 N/A LEU 338.A N TYR 373.A O no hydrogen 2.895 N/A LEU 339.A N VAL 421.A O no hydrogen 2.632 N/A GLY 340.A N VAL 375.A O no hydrogen 2.686 N/A GLY 342.A N GLU 376.A OE2 no hydrogen 2.958 N/A ARG 343.A NE ASP 66.A OD2 no hydrogen 3.322 N/A ARG 343.A NH2 GLU 306.A OE2 no hydrogen 2.887 N/A GLY 344.A N GLY 341.A O no hydrogen 2.763 N/A GLY 347.A N GLY 344.A O no hydrogen 3.055 N/A THR 348.A N GLY 344.A O no hydrogen 3.139 N/A THR 348.A OG1 PRO 345.A O no hydrogen 2.888 N/A LYS 349.A N PRO 345.A O no hydrogen 2.923 N/A LYS 349.A NZ ASP 313.A OD1 no hydrogen 3.468 N/A ILE 350.A N ILE 346.A O no hydrogen 2.872 N/A LEU 351.A N GLY 347.A O no hydrogen 2.969 N/A LYS 352.A N THR 348.A O no hydrogen 2.919 N/A SER 353.A N LYS 349.A O no hydrogen 2.899 N/A SER 353.A OG GLY 316.A O no hydrogen 3.317 N/A SER 353.A OG LYS 349.A O no hydrogen 3.101 N/A GLU 354.A N ILE 350.A O no hydrogen 2.935 N/A ARG 355.A N LEU 351.A O no hydrogen 2.981 N/A GLU 356.A N LYS 352.A O no hydrogen 2.946 N/A TYR 357.A N SER 353.A O no hydrogen 2.895 N/A ASN 358.A N GLU 354.A O no hydrogen 2.956 N/A ASN 358.A ND2 LEU 368.A O no hydrogen 3.013 N/A ASN 359.A N ARG 355.A O no hydrogen 2.925 N/A THR 360.A N GLU 356.A O no hydrogen 2.970 N/A THR 360.A OG1 GLU 356.A O no hydrogen 2.766 N/A THR 360.A OG1 TYR 357.A O no hydrogen 3.428 N/A PHE 361.A N TYR 357.A O no hydrogen 2.900 N/A ARG 362.A N ASN 358.A O no hydrogen 3.187 N/A ARG 362.A NE GLU 366.A O no hydrogen 2.898 N/A ARG 362.A NH1 ARG 331.A O no hydrogen 2.580 N/A ARG 362.A NH2 ARG 331.A O no hydrogen 3.526 N/A ARG 362.A NH2 TYR 357.A OH no hydrogen 2.767 N/A GLN 363.A NE2 ASN 359.A O no hydrogen 2.846 N/A GLN 365.A N ARG 362.A O no hydrogen 3.157 N/A GLN 365.A NE2 PHE 361.A O no hydrogen 3.332 N/A LEU 368.A N ASN 358.A OD1 no hydrogen 3.012 N/A LYS 369.A N LYS 332.A O no hydrogen 2.664 N/A VAL 370.A N GLU 354.A OE2 no hydrogen 3.015 N/A LYS 371.A N VAL 334.A O no hydrogen 2.917 N/A LYS 371.A NZ TYR 373.A OH no hydrogen 3.035 N/A TYR 373.A N ILE 336.A O no hydrogen 2.891 N/A ILE 374.A N THR 397.A O no hydrogen 2.939 N/A VAL 375.A N LEU 338.A O no hydrogen 2.894 N/A GLU 376.A N ILE 399.A O no hydrogen 2.960 N/A LYS 377.A N GLU 376.A OE1 no hydrogen 2.770 N/A LYS 377.A NZ PRO 292.A O no hydrogen 2.932 N/A LYS 377.A NZ ASN 296.A OD1 no hydrogen 2.779 N/A ASN 380.A ND2 ASN 378.A OD1 no hydrogen 2.988 N/A ALA 381.A N ASN 378.A OD1 no hydrogen 2.813 N/A ILE 382.A N ASN 378.A O no hydrogen 3.068 N/A VAL 383.A N PRO 379.A O no hydrogen 2.939 N/A THR 384.A N ASN 380.A O no hydrogen 3.020 N/A THR 384.A OG1 ASP 66.A OD1 no hydrogen 2.515 N/A THR 384.A OG1 TYR 112.A OH no hydrogen 2.999 N/A LEU 385.A N ALA 381.A O no hydrogen 2.850 N/A LYS 386.A N ILE 382.A O no hydrogen 2.959 N/A VAL 389.A N LYS 386.A O no hydrogen 2.920 N/A ARG 390.A N TYR 387.A O no hydrogen 2.912 N/A ARG 394.A N ASN 388.A O no hydrogen 2.905 N/A ARG 395.A N TRP 392.A O no hydrogen 3.339 N/A THR 397.A N LEU 372.A O no hydrogen 3.079 N/A ILE 399.A N ILE 374.A O no hydrogen 2.912 N/A SER 401.A N GLU 376.A O no hydrogen 2.583 N/A SER 401.A OG ASP 402.A O no hydrogen 3.090 N/A ARG 403.A NE ASP 402.A OD1 no hydrogen 3.452 N/A SER 404.A N ASP 402.A O no hydrogen 2.685 N/A GLY 407.A N SER 404.A O no hydrogen 2.919 N/A ALA 409.A N LEU 405.A O no hydrogen 2.829 N/A ARG 412.A N ILE 408.A O no hydrogen 3.253 N/A GLY 413.A N LYS 410.A O no hydrogen 3.312 N/A PHE 414.A N ALA 409.A O no hydrogen 2.696 N/A ASP 418.A N VAL 335.A O no hydrogen 2.845 N/A ILE 419.A N VAL 335.A O no hydrogen 3.261 N/A VAL 421.A N TYR 337.A O no hydrogen 2.715 N/A SER 422.A N ILE 452.A O no hydrogen 2.882 N/A GLY 426.A N GLY 429.A O no hydrogen 2.881 N/A SER 427.A OG PHE 587.A O no hydrogen 2.431 N/A PHE 428.A N ASN 431.A OD1 no hydrogen 2.771 N/A GLY 429.A N GLY 426.A O no hydrogen 2.817 N/A LEU 433.A N ASP 430.A O no hydrogen 3.368 N/A SER 434.A OG TYR 456.A OH no hydrogen 2.861 N/A CYS 437.A N LEU 433.A O no hydrogen 3.122 N/A CYS 437.A SG LEU 433.A O no hydrogen 3.723 N/A LEU 438.A N SER 434.A O no hydrogen 2.904 N/A ASP 439.A N PRO 435.A O no hydrogen 2.897 N/A GLY 440.A N GLU 436.A O no hydrogen 2.995 N/A GLY 440.A N CYS 437.A O no hydrogen 2.983 N/A VAL 441.A N LEU 438.A O no hydrogen 2.962 N/A THR 442.A N ASP 439.A O no hydrogen 3.439 N/A LYS 446.A N THR 449.A OG1 no hydrogen 2.746 N/A THR 449.A N LYS 446.A O no hydrogen 2.928 N/A THR 449.A OG1 PRO 417.A O no hydrogen 2.661 N/A THR 449.A OG1 LYS 446.A O no hydrogen 3.021 N/A ILE 450.A N ASP 418.A O no hydrogen 2.871 N/A SER 451.A OG PRO 453.A O no hydrogen 3.335 N/A ILE 452.A N ILE 420.A O no hydrogen 2.867 N/A GLN 454.A N GLN 567.A O no hydrogen 2.910 N/A LYS 455.A N GLN 567.A O no hydrogen 3.212 N/A TYR 456.A N PHE 534.A O no hydrogen 2.950 N/A TYR 456.A OH HIS 536.A NE2 no hydrogen 3.201 N/A THR 457.A N ASP 565.A O no hydrogen 2.897 N/A SER 458.A N PHE 532.A O no hydrogen 2.829 N/A SER 458.A OG PHE 428.A O no hydrogen 3.299 N/A TYR 459.A N TYR 563.A O no hydrogen 2.884 N/A VAL 460.A N LYS 529.A O no hydrogen 2.992 N/A LYS 461.A N ALA 561.A O no hydrogen 2.926 N/A ILE 463.A N GLY 559.A O no hydrogen 2.925 N/A SER 464.A OG LYS 520.A O no hydrogen 2.774 N/A ILE 467.A N SER 464.A OG no hydrogen 3.067 N/A HIS 468.A N SER 464.A O no hydrogen 3.261 N/A HIS 468.A NE2 LEU 593.A O no hydrogen 2.978 N/A HIS 468.A NE2 ARG 594.A O no hydrogen 3.065 N/A GLN 469.A N THR 465.A O no hydrogen 2.889 N/A THR 470.A N HIS 466.A O no hydrogen 2.893 N/A ILE 471.A N ILE 467.A O no hydrogen 2.905 N/A LYS 472.A N HIS 468.A O no hydrogen 2.946 N/A LYS 472.A NZ ARG 594.A O no hydrogen 3.101 N/A SER 475.A OG ALA 473.A O no hydrogen 3.135 N/A SER 480.A N PRO 477.A O no hydrogen 2.564 N/A ARG 481.A N TYR 478.A O no hydrogen 3.022 N/A ARG 481.A NH2 ASP 494.A OD2 no hydrogen 2.912 N/A ILE 483.A N SER 480.A O no hydrogen 3.055 N/A SER 485.A N GLN 500.A OE1 no hydrogen 2.593 N/A SER 485.A OG GLY 489.A O no hydrogen 2.687 N/A GLY 487.A N SER 485.A OG no hydrogen 3.142 N/A ARG 488.A NE ASN 642.A O no hydrogen 2.788 N/A ARG 488.A NH2 ASP 614.A OD2 no hydrogen 3.071 N/A GLU 492.A N ILE 499.A O no hydrogen 2.663 N/A GLU 495.A N GLU 495.A OE1 no hydrogen 2.875 N/A ASP 496.A N ASP 494.A OD1 no hydrogen 2.652 N/A GLU 497.A N ASP 494.A O no hydrogen 2.879 N/A ILE 499.A N GLU 492.A O no hydrogen 2.603 N/A GLN 500.A N ARG 481.A O no hydrogen 2.813 N/A GLN 500.A NE2 LYS 501.A O no hydrogen 3.480 N/A GLN 504.A N GLN 504.A OE1 no hydrogen 2.906 N/A GLN 504.A NE2 GLU 644.A O no hydrogen 3.440 N/A GLN 504.A NE2 SER 645.A OG no hydrogen 3.067 N/A GLY 505.A N TYR 502.A O no hydrogen 2.847 N/A ASN 509.A N GLY 505.A O no hydrogen 2.974 N/A ASN 510.A N HIS 506.A O no hydrogen 2.880 N/A ASN 510.A ND2 LYS 472.A O no hydrogen 2.957 N/A ASN 510.A ND2 GLN 474.A O no hydrogen 3.170 N/A GLN 512.A NE2 ASN 509.A O no hydrogen 2.859 N/A TYR 514.A N VAL 590.A O no hydrogen 2.967 N/A TYR 514.A OH GLN 474.A OE1 no hydrogen 3.045 N/A TYR 514.A OH ASN 510.A O no hydrogen 2.587 N/A VAL 515.A N GLN 287.A O no hydrogen 3.008 N/A VAL 516.A N PRO 588.A O no hydrogen 2.966 N/A LEU 524.A N PRO 462.A O no hydrogen 3.067 N/A THR 528.A OG1 GLU 576.A OE1 no hydrogen 2.481 N/A LYS 529.A N VAL 460.A O no hydrogen 2.994 N/A LYS 529.A NZ GLU 550.A O no hydrogen 3.179 N/A VAL 531.A N SER 458.A O no hydrogen 2.530 N/A PHE 532.A N SER 458.A O no hydrogen 2.973 N/A PHE 534.A N TYR 456.A O no hydrogen 2.908 N/A HIS 536.A N GLN 454.A O no hydrogen 2.670 N/A HIS 536.A NE2 TYR 456.A OH no hydrogen 3.201 N/A ASN 538.A ND2 ASP 439.A OD2 no hydrogen 3.329 N/A ASN 538.A ND2 SER 541.A O no hydrogen 2.939 N/A PHE 539.A N PRO 537.A O no hydrogen 2.821 N/A SER 541.A N ASN 538.A OD1 no hydrogen 3.223 N/A SER 541.A OG ASN 538.A OD1 no hydrogen 2.786 N/A ASN 543.A ND2 ASP 439.A OD2 no hydrogen 2.875 N/A ARG 545.A N ARG 611.A O no hydrogen 2.910 N/A ARG 545.A NH1 THR 533.A O no hydrogen 2.837 N/A ARG 545.A NH2 THR 533.A O no hydrogen 2.634 N/A SER 546.A OG ASP 610.A OD2 no hydrogen 3.190 N/A ASP 547.A N ILE 609.A O no hydrogen 2.944 N/A ILE 549.A N LEU 607.A O no hydrogen 2.925 N/A PHE 551.A N ILE 605.A O no hydrogen 2.842 N/A ALA 556.A N VAL 599.A O no hydrogen 2.945 N/A LEU 558.A N LEU 597.A O no hydrogen 2.656 N/A PHE 560.A N ILE 591.A O no hydrogen 2.957 N/A ALA 561.A N LYS 461.A O no hydrogen 2.899 N/A GLY 562.A N ALA 589.A O no hydrogen 2.871 N/A TYR 563.A N TYR 459.A O no hydrogen 2.884 N/A ASP 565.A N THR 457.A O no hydrogen 2.936 N/A LEU 566.A N LEU 573.A O no hydrogen 2.921 N/A TYR 569.A N VAL 572.A O no hydrogen 3.262 N/A LYS 570.A N GLN 454.A OE1 no hydrogen 3.185 N/A LYS 570.A NZ ASP 325.A OD2 no hydrogen 2.684 N/A VAL 572.A N TYR 569.A O no hydrogen 2.977 N/A LEU 573.A N LEU 566.A O no hydrogen 2.978 N/A SER 574.A N THR 581.A OG1 no hydrogen 3.373 N/A SER 574.A OG THR 579.A O no hydrogen 2.808 N/A ILE 575.A N PHE 564.A O no hydrogen 3.006 N/A GLU 576.A N SER 574.A OG no hydrogen 3.111 N/A HIS 580.A ND1 SER 574.A O no hydrogen 3.261 N/A THR 581.A N SER 574.A O no hydrogen 3.064 N/A VAL 584.A N ASP 308.A OD1 no hydrogen 2.845 N/A TRP 586.A NE1 LEU 425.A O no hydrogen 3.043 N/A ALA 589.A N GLY 562.A O no hydrogen 2.872 N/A VAL 590.A N TYR 514.A O no hydrogen 2.820 N/A ILE 591.A N PHE 560.A O no hydrogen 2.896 N/A ARG 594.A NE ASP 511.A OD1 no hydrogen 3.359 N/A ARG 594.A NH2 ASP 511.A OD2 no hydrogen 3.300 N/A LEU 597.A N LEU 558.A O no hydrogen 2.893 N/A VAL 599.A N ALA 556.A O no hydrogen 2.841 N/A GLY 600.A N ASP 603.A OD2 no hydrogen 3.162 N/A ARG 604.A N LYS 627.A O no hydrogen 2.896 N/A ILE 605.A N PHE 551.A O no hydrogen 2.949 N/A SER 606.A N GLU 625.A O no hydrogen 2.879 N/A SER 606.A OG GLU 625.A O no hydrogen 3.366 N/A LEU 607.A N ILE 549.A O no hydrogen 2.911 N/A LYS 608.A N HIS 623.A O no hydrogen 2.873 N/A LYS 608.A NZ SER 548.A OG no hydrogen 2.848 N/A ILE 609.A N ASP 547.A O no hydrogen 2.930 N/A ASP 610.A N GLU 621.A O no hydrogen 2.888 N/A ARG 611.A N ARG 545.A O no hydrogen 2.910 N/A ARG 611.A NE ASP 430.A OD1 no hydrogen 2.554 N/A ARG 611.A NH1 GLU 436.A OE2 no hydrogen 3.261 N/A ARG 611.A NH1 ASN 543.A O no hydrogen 2.958 N/A ARG 611.A NH2 ASP 430.A O no hydrogen 3.175 N/A ARG 611.A NH2 GLU 436.A OE1 no hydrogen 3.176 N/A LYS 612.A N TRP 619.A O no hydrogen 2.908 N/A THR 616.A N ASP 614.A OD1 no hydrogen 2.844 N/A THR 616.A OG1 ASP 614.A OD1 no hydrogen 2.693 N/A THR 616.A OG1 TYR 647.A OH no hydrogen 2.474 N/A GLY 617.A N ASP 614.A O no hydrogen 3.329 N/A TRP 619.A N LYS 612.A O no hydrogen 2.965 N/A TRP 619.A NE1 GLU 621.A OE2 no hydrogen 3.116 N/A TYR 620.A OH ASP 430.A OD1 no hydrogen 2.538 N/A GLU 621.A N ASP 610.A O no hydrogen 2.962 N/A TRP 622.A N GLN 639.A O no hydrogen 3.349 N/A TRP 622.A NE1 PRO 592.A O no hydrogen 3.098 N/A HIS 623.A N LYS 608.A O no hydrogen 2.921 N/A VAL 624.A N THR 636.A OG1 no hydrogen 3.059 N/A GLU 625.A N SER 606.A O no hydrogen 2.912 N/A LYS 626.A NZ ARG 598.A O no hydrogen 3.051 N/A LYS 627.A N ARG 604.A O no hydrogen 2.928 N/A LYS 628.A N GLU 632.A O no hydrogen 2.790 N/A LYS 628.A NZ ASN 630.A OD1 no hydrogen 3.098 N/A ASN 630.A N ASN 630.A OD1 no hydrogen 2.384 N/A GLY 631.A N LYS 628.A O no hydrogen 3.107 N/A SER 633.A OG LYS 626.A O no hydrogen 2.878 N/A VAL 634.A N LYS 626.A O no hydrogen 2.853 N/A THR 636.A N VAL 624.A O no hydrogen 2.837 N/A GLN 639.A N TRP 622.A O no hydrogen 3.055 N/A GLN 639.A NE2 ASP 511.A OD1 no hydrogen 3.559 N/A GLN 639.A NE2 PRO 592.A O no hydrogen 2.946 N/A ASN 640.A ND2 TYR 620.A O no hydrogen 2.716 N/A ASN 640.A ND2 TYR 646.A O no hydrogen 2.999 N/A ASN 642.A N GLU 621.A OE2 no hydrogen 3.011 N/A GLY 643.A N ASN 640.A O no hydrogen 2.934 N/A GLU 644.A N PRO 641.A O no hydrogen 3.473 N/A SER 645.A N ASN 640.A OD1 no hydrogen 3.328 N/A SER 645.A OG ASP 511.A OD2 no hydrogen 3.411 N/A TYR 646.A N ASN 640.A OD1 no hydrogen 3.210 N/A TYR 647.A N HIS 486.A O no hydrogen 2.653 N/A TYR 647.A OH ASP 614.A OD1 no hydrogen 2.859 N/A TYR 647.A OH THR 616.A OG1 no hydrogen 2.474 N/A ARG 648.A NH1 ARG 488.A O no hydrogen 3.251 N/A