Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TYR 22.A O no hydrogen 2.799 N/A ARG 3.A NH1 VAL 16.A O no hydrogen 2.663 N/A VAL 5.A N TRP 24.A O no hydrogen 3.065 N/A ARG 6.A NH1 ASP 26.A OD2 no hydrogen 2.954 N/A LEU 7.A N ASP 26.A O no hydrogen 3.302 N/A SER 11.A N GLN 8.A O no hydrogen 2.895 N/A VAL 13.A N GLY 108.A O no hydrogen 2.986 N/A ALA 15.A N PHE 110.A O no hydrogen 2.926 N/A TYR 17.A N THR 112.A O no hydrogen 2.840 N/A LEU 19.A N ILE 114.A O no hydrogen 3.019 N/A THR 21.A N VAL 18.A O no hydrogen 3.142 N/A THR 21.A OG1 VAL 18.A O no hydrogen 2.790 N/A TYR 22.A N ARG 1.A O no hydrogen 2.924 N/A LEU 23.A N VAL 77.A O no hydrogen 2.864 N/A TRP 24.A N ARG 3.A O no hydrogen 2.840 N/A TRP 24.A NE1 THR 4.A OG1 no hydrogen 2.387 N/A THR 25.A N LEU 75.A O no hydrogen 2.768 N/A THR 25.A OG1 VAL 5.A O no hydrogen 3.377 N/A TYR 28.A N ASP 26.A OD1 no hydrogen 2.756 N/A SER 29.A N ASP 26.A OD1 no hydrogen 3.104 N/A SER 29.A OG ASP 26.A OD2 no hydrogen 2.569 N/A ALA 31.A N TYR 28.A O no hydrogen 3.197 N/A ALA 35.A N PRO 32.A O no hydrogen 3.162 N/A GLN 36.A N TYR 96.A O no hydrogen 2.766 N/A GLN 36.A NE2 GLY 34.A O no hydrogen 3.248 N/A THR 37.A N TYR 96.A O no hydrogen 3.247 N/A PHE 38.A N TRP 67.A O no hydrogen 2.860 N/A SER 39.A N ASN 94.A O no hydrogen 3.043 N/A SER 39.A OG TYR 96.A OH no hydrogen 2.663 N/A LYS 41.A N THR 92.A O no hydrogen 2.792 N/A HIS 42.A N THR 61.A O no hydrogen 2.896 N/A HIS 42.A ND1 SER 43.A O.A no hydrogen 2.832 N/A HIS 42.A ND1 SER 43.A O.B no hydrogen 2.709 N/A HIS 42.A NE2 VAL 59.A O no hydrogen 2.775 N/A SER 43.A N.A LYS 90.A O no hydrogen 3.043 N/A SER 43.A N.B LYS 90.A O no hydrogen 3.031 N/A SER 43.A OG.A LYS 90.A O no hydrogen 3.529 N/A SER 43.A OG.B SER 88.A O no hydrogen 2.633 N/A SER 43.A OG.B LYS 90.A O no hydrogen 3.463 N/A VAL 46.A N SER 43.A O.A no hydrogen 3.348 N/A TRP 47.A N THR 78.A O no hydrogen 2.762 N/A GLU 49.A N ARG 76.A O no hydrogen 2.923 N/A VAL 50.A N GLU 57.A O no hydrogen 2.842 N/A VAL 51.A N THR 74.A O no hydrogen 2.817 N/A ARG 52.A N GLU 55.A O no hydrogen 2.676 N/A ASP 53.A N SER 72.A O no hydrogen 2.964 N/A GLU 55.A N ARG 52.A O no hydrogen 2.803 N/A GLU 57.A N VAL 50.A O no hydrogen 2.823 N/A VAL 59.A N VAL 48.A O no hydrogen 2.748 N/A ARG 66.A NH1 SER 101.A OG no hydrogen 3.397 N/A TRP 67.A N PHE 38.A O no hydrogen 2.889 N/A TRP 67.A NE1 GLU 57.A OE1 no hydrogen 3.139 N/A LEU 69.A N GLN 36.A O no hydrogen 2.808 N/A SER 70.A OG SER 72.A OG no hydrogen 2.903 N/A SER 72.A N SER 70.A OG no hydrogen 3.092 N/A SER 72.A OG SER 70.A OG no hydrogen 2.903 N/A THR 73.A N SER 70.A O no hydrogen 3.052 N/A THR 74.A N VAL 51.A O no hydrogen 2.986 N/A LEU 75.A N THR 25.A O no hydrogen 2.911 N/A ARG 76.A N GLU 49.A O no hydrogen 2.860 N/A ARG 76.A NE GLU 49.A OE1 no hydrogen 2.890 N/A ARG 76.A NH2 GLU 49.A OE1 no hydrogen 3.481 N/A ARG 76.A NH2 GLU 49.A OE2 no hydrogen 3.173 N/A VAL 77.A N LEU 23.A O no hydrogen 2.875 N/A THR 78.A N TRP 47.A O no hydrogen 2.972 N/A MET 79.A N TYR 17.A OH no hydrogen 3.036 N/A SER 83.A N ALA 113.A O no hydrogen 2.758 N/A SER 83.A OG ASP 89.A OD2 no hydrogen 2.551 N/A THR 84.A N SER 87.A OG no hydrogen 2.715 N/A ALA 86.A N THR 84.A OG1 no hydrogen 2.983 N/A SER 87.A N THR 84.A O no hydrogen 3.212 N/A SER 87.A OG THR 84.A O no hydrogen 3.303 N/A LYS 90.A N SER 43.A OG.A no hydrogen 3.112 N/A LYS 90.A N SER 43.A OG.B no hydrogen 2.972 N/A VAL 91.A N LEU 109.A O no hydrogen 2.914 N/A THR 92.A N LYS 41.A O no hydrogen 2.857 N/A VAL 93.A N ALA 107.A O no hydrogen 2.861 N/A ASN 94.A N SER 39.A O no hydrogen 2.914 N/A TYR 95.A N ASP 105.A O no hydrogen 2.894 N/A TYR 95.A OH VAL 27.A O no hydrogen 2.493 N/A TYR 96.A N THR 37.A O no hydrogen 3.082 N/A TYR 96.A OH SER 39.A OG no hydrogen 2.663 N/A GLU 99.A N ASP 97.A OD2 no hydrogen 3.040 N/A GLY 100.A N ASP 97.A OD2 no hydrogen 3.269 N/A ILE 104.A N TYR 95.A O no hydrogen 2.807 N/A GLN 106.A N ASP 105.A OD1 no hydrogen 2.667 N/A ALA 107.A N VAL 93.A O no hydrogen 2.806 N/A LEU 109.A N VAL 91.A O no hydrogen 2.773 N/A PHE 110.A N VAL 13.A O no hydrogen 2.817 N/A LEU 111.A N ASP 89.A O no hydrogen 2.938 N/A THR 112.A N ALA 15.A O no hydrogen 3.018 N/A ALA 113.A N SER 83.A OG no hydrogen 2.832 N/A ILE 114.A N TYR 17.A O no hydrogen 2.833 N/A GLU 115.A N LYS 173.A O no hydrogen 2.761 N/A SER 117.A N ARG 171.A O no hydrogen 2.902 N/A SER 117.A OG ASP 119.A OD1 no hydrogen 2.548 N/A LEU 118.A N ASP 272.A OD2 no hydrogen 2.955 N/A ASP 119.A N ILE 169.A O no hydrogen 2.866 N/A ALA 122.A N GLU 129.A OE2 no hydrogen 2.964 N/A ASP 123.A N GLU 129.A OE2 no hydrogen 2.969 N/A ARG 124.A NE GLY 146.A O no hydrogen 2.771 N/A ARG 124.A NH1 THR 139.A O no hydrogen 3.214 N/A ARG 124.A NH2 THR 139.A O no hydrogen 2.831 N/A ARG 124.A NH2 GLY 146.A O no hydrogen 3.272 N/A ASP 125.A N ASP 121.A OD1 no hydrogen 3.086 N/A GLY 126.A N ASP 121.A OD2 no hydrogen 2.730 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 2.827 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.772 N/A ASN 131.A N ASP 119.A OD1 no hydrogen 3.015 N/A ASN 132.A ND2 GLU 129.A OE2 no hydrogen 2.853 N/A ASN 132.A ND2 GLN 145.A OE1 no hydrogen 2.642 N/A LYS 134.A N ASN 132.A OD1 no hydrogen 2.741 N/A LYS 135.A N ASN 132.A O no hydrogen 2.965 N/A LYS 135.A NZ LEU 118.A O no hydrogen 2.803 N/A LYS 135.A NZ ASP 119.A OD1 no hydrogen 3.476 N/A LYS 135.A NZ ASN 131.A OD1 no hydrogen 2.696 N/A LYS 135.A NZ ASP 272.A OD2 no hydrogen 2.695 N/A SER 137.A N.A LYS 134.A O no hydrogen 2.989 N/A SER 137.A N.B LYS 134.A O no hydrogen 2.986 N/A SER 137.A OG.B LYS 134.A O no hydrogen 3.153 N/A TRP 138.A NE1 ALA 147.A O no hydrogen 2.941 N/A THR 139.A N GLN 145.A O no hydrogen 2.804 N/A THR 139.A OG1 GLN 145.A O no hydrogen 3.527 N/A GLY 141.A N TRP 635.A O no hydrogen 2.996 N/A GLY 144.A N GLY 141.A O no hydrogen 2.960 N/A GLN 145.A N THR 139.A OG1 no hydrogen 2.937 N/A GLY 146.A N ALA 122.A O no hydrogen 2.693 N/A LEU 149.A N ARG 277.A O no hydrogen 2.896 N/A ASN 152.A N GLY 238.A O no hydrogen 2.974 N/A ASN 152.A ND2 GLU 237.A OE1 no hydrogen 2.956 N/A CYS 153.A SG VAL 151.A O no hydrogen 3.754 N/A ASP 154.A N ASN 152.A OD1 no hydrogen 2.801 N/A TYR 157.A N TYR 210.A O no hydrogen 2.764 N/A LEU 162.A N SER 158.A O no hydrogen 3.322 N/A LEU 162.A N LYS 159.A O no hydrogen 3.281 N/A LYS 163.A N GLU 160.A O no hydrogen 2.892 N/A MET 165.A N LEU 162.A O no hydrogen 2.908 N/A SER 166.A N VAL 236.A O no hydrogen 2.954 N/A SER 166.A OG ILE 148.A O no hydrogen 2.836 N/A SER 166.A OG HIS 346.A NE2 no hydrogen 3.334 N/A MET 168.A N PHE 234.A O no hydrogen 2.977 N/A ILE 169.A N ASP 119.A O no hydrogen 2.977 N/A LEU 170.A N LEU 232.A O no hydrogen 2.898 N/A ARG 171.A N SER 117.A O no hydrogen 2.868 N/A ARG 171.A NE GLU 231.A OE2 no hydrogen 2.651 N/A ARG 171.A NH1 ASP 119.A OD2 no hydrogen 2.671 N/A ARG 171.A NH1 VAL 128.A O no hydrogen 3.389 N/A ARG 171.A NH1 GLU 129.A O no hydrogen 3.301 N/A ARG 171.A NH2 VAL 128.A O no hydrogen 3.042 N/A THR 172.A N ALA 230.A O no hydrogen 2.952 N/A LYS 173.A N GLU 115.A O no hydrogen 3.062 N/A GLY 174.A N GLY 228.A O no hydrogen 3.182 N/A ASP 176.A N GLU 85.A OE2 no hydrogen 2.776 N/A GLU 183.A N LEU 257.A O no hydrogen 3.119 N/A VAL 185.A N SER 255.A O no hydrogen 2.876 N/A LEU 186.A N HIS 221.A O no hydrogen 2.866 N/A TYR 187.A N HIS 253.A O no hydrogen 2.778 N/A ILE 188.A N LEU 219.A O no hydrogen 2.881 N/A ASP 192.A N SER 189.A OG no hydrogen 3.018 N/A SER 193.A N MET 190.A O no hydrogen 3.096 N/A SER 193.A OG MET 190.A O no hydrogen 2.575 N/A LYS 195.A N ASP 192.A O no hydrogen 2.805 N/A LYS 195.A NZ SER 191.A O no hydrogen 3.072 N/A LYS 195.A NZ ASP 194.A OD1 no hydrogen 2.719 N/A GLY 197.A N GLU 237.A O no hydrogen 2.984 N/A VAL 198.A N LEU 214.A O no hydrogen 2.967 N/A PHE 199.A N PHE 235.A O no hydrogen 2.834 N/A TYR 200.A N ILE 211.A O no hydrogen 2.939 N/A PHE 206.A N ASN 203.A O no hydrogen 3.001 N/A GLY 207.A N PRO 204.A O no hydrogen 3.185 N/A TYR 210.A N TYR 157.A O no hydrogen 2.944 N/A ILE 211.A N TYR 200.A O no hydrogen 2.779 N/A ILE 213.A N VAL 198.A O no hydrogen 2.849 N/A LEU 214.A N VAL 198.A O no hydrogen 3.449 N/A GLY 215.A N LYS 218.A O no hydrogen 2.890 N/A LYS 218.A N GLY 215.A O no hydrogen 2.947 N/A LYS 218.A NZ HIS 212.A ND1 no hydrogen 2.942 N/A HIS 221.A N LEU 186.A O no hydrogen 2.712 N/A HIS 221.A NE2 GLU 202.A OE1 no hydrogen 2.459 N/A VAL 223.A N ILE 184.A O no hydrogen 2.968 N/A TYR 225.A OH PRO 175.A O no hydrogen 2.642 N/A GLY 228.A N GLY 174.A O no hydrogen 2.865 N/A ALA 230.A N THR 172.A O no hydrogen 2.843 N/A LEU 232.A N LEU 170.A O no hydrogen 2.861 N/A PHE 234.A N MET 168.A O no hydrogen 2.769 N/A PHE 235.A N PHE 199.A O no hydrogen 3.046 N/A VAL 236.A N SER 166.A O no hydrogen 2.705 N/A GLU 237.A N GLY 197.A O no hydrogen 2.904 N/A GLY 238.A N LEU 150.A O no hydrogen 3.010 N/A LEU 239.A N LYS 195.A O no hydrogen 2.730 N/A ASP 243.A N.A PHE 246.A O no hydrogen 2.960 N/A ASP 243.A N.B PHE 246.A O no hydrogen 2.956 N/A GLU 244.A N ASP 243.A OD1.A no hydrogen 3.028 N/A PHE 246.A N ASP 243.A O.A no hydrogen 2.932 N/A PHE 246.A N ASP 243.A O.B no hydrogen 3.184 N/A LEU 249.A N SER 247.A OG no hydrogen 3.221 N/A VAL 250.A N PHE 276.A O no hydrogen 2.865 N/A SER 251.A N ASP 192.A OD2 no hydrogen 3.160 N/A ILE 252.A N VAL 274.A O no hydrogen 3.016 N/A HIS 253.A N TYR 187.A O no hydrogen 2.918 N/A HIS 253.A ND1 THR 273.A OG1 no hydrogen 2.600 N/A VAL 254.A N ASP 272.A O no hydrogen 2.937 N/A SER 255.A N VAL 185.A O no hydrogen 2.878 N/A SER 255.A OG THR 271.A OG1 no hydrogen 2.739 N/A LEU 256.A N PHE 270.A O no hydrogen 2.890 N/A LEU 257.A N GLU 183.A O no hydrogen 2.884 N/A GLU 258.A N THR 267.A O no hydrogen 2.735 N/A TYR 259.A N GLY 181.A O no hydrogen 2.705 N/A ILE 264.A N ALA 261.A O no hydrogen 3.416 N/A THR 267.A N GLU 258.A O no hydrogen 2.905 N/A ILE 269.A N LEU 256.A O no hydrogen 2.923 N/A PHE 270.A N LEU 256.A O no hydrogen 3.486 N/A THR 271.A OG1 SER 255.A OG no hydrogen 2.739 N/A ASP 272.A N VAL 254.A O no hydrogen 2.901 N/A THR 273.A OG1 HIS 253.A ND1 no hydrogen 2.600 N/A VAL 274.A N ILE 252.A O no hydrogen 3.021 N/A ILE 275.A N LYS 135.A O no hydrogen 3.088 N/A PHE 276.A N VAL 250.A O no hydrogen 2.889 N/A ARG 277.A N ALA 147.A O no hydrogen 2.973 N/A ARG 277.A NH1 SER 247.A O no hydrogen 2.916 N/A ILE 278.A N GLY 248.A O no hydrogen 2.775 N/A ALA 279.A N LEU 149.A O no hydrogen 2.833 N/A TRP 281.A N GLN 428.A OE1 no hydrogen 2.892 N/A TRP 281.A NE1 VAL 351.A O no hydrogen 2.947 N/A ILE 282.A N TYR 341.A O no hydrogen 2.988 N/A MET 283.A N GLN 431.A OE1 no hydrogen 2.884 N/A ASN 286.A ND2 PHE 452.A O no hydrogen 3.022 N/A LEU 288.A N PRO 285.A O no hydrogen 3.160 N/A VAL 291.A N ARG 626.A O.A no hydrogen 2.757 N/A VAL 291.A N ARG 626.A O.B no hydrogen 2.774 N/A SER 292.A N ARG 626.A O.A no hydrogen 3.283 N/A SER 292.A N ARG 626.A O.B no hydrogen 3.386 N/A SER 292.A OG GLU 318.A OE1 no hydrogen 3.129 N/A VAL 293.A N GLU 318.A O no hydrogen 2.799 N/A PHE 294.A N ASN 624.A O no hydrogen 2.735 N/A VAL 295.A N LYS 320.A O no hydrogen 2.971 N/A CYS 296.A N GLY 622.A O no hydrogen 2.853 N/A CYS 296.A SG ASP 330.A O no hydrogen 3.430 N/A CYS 296.A SG GLY 622.A O no hydrogen 4.031 N/A CYS 297.A N CYS 322.A O no hydrogen 3.361 N/A CYS 297.A SG MET 298.A O no hydrogen 3.420 N/A ASN 301.A N MET 298.A O no hydrogen 3.106 N/A ASN 301.A ND2 ASP 608.A O no hydrogen 3.273 N/A LEU 305.A N ASN 301.A O no hydrogen 3.351 N/A LYS 306.A N TYR 302.A O no hydrogen 2.821 N/A GLU 307.A N LEU 303.A O no hydrogen 2.746 N/A VAL 308.A N PHE 304.A O no hydrogen 2.770 N/A LYS 309.A N LEU 305.A O no hydrogen 2.923 N/A LYS 309.A NZ GLU 313.A OE2 no hydrogen 3.129 N/A ASN 310.A N LYS 306.A O no hydrogen 2.923 N/A LEU 311.A N GLU 307.A O no hydrogen 2.963 N/A VAL 312.A N VAL 308.A O no hydrogen 2.963 N/A GLU 313.A N LYS 309.A O no hydrogen 2.915 N/A LYS 314.A N LEU 311.A O no hydrogen 2.916 N/A LYS 314.A NZ THR 604.A OG1 no hydrogen 2.686 N/A THR 315.A N VAL 312.A O no hydrogen 2.803 N/A THR 315.A OG1 VAL 312.A O no hydrogen 2.583 N/A CYS 317.A N THR 315.A OG1 no hydrogen 3.074 N/A CYS 317.A SG PRO 290.A O no hydrogen 3.610 N/A GLU 318.A N VAL 291.A O no hydrogen 3.246 N/A LYS 320.A N VAL 293.A O no hydrogen 2.754 N/A CYS 322.A N VAL 295.A O no hydrogen 2.825 N/A GLN 324.A NE2 ASP 330.A O no hydrogen 3.029 N/A ASN 327.A ND2 GLY 359.A O no hydrogen 2.739 N/A ARG 328.A N TYR 325.A O no hydrogen 3.330 N/A ARG 328.A NH1 GLU 336.A OE1 no hydrogen 3.061 N/A ARG 328.A NH1 ASP 354.A OD1 no hydrogen 3.069 N/A ARG 328.A NH2 ASP 354.A OD1 no hydrogen 3.450 N/A ARG 328.A NH2 ASP 354.A OD2 no hydrogen 2.919 N/A GLY 329.A N GLU 336.A OE2 no hydrogen 2.847 N/A ARG 331.A NE CYS 621.A O no hydrogen 2.806 N/A ARG 331.A NH2 ASN 564.A OD1 no hydrogen 3.423 N/A ARG 331.A NH2 CYS 621.A O no hydrogen 3.510 N/A TRP 332.A N GLY 329.A O no hydrogen 3.243 N/A TRP 332.A NE1 PHE 323.A O no hydrogen 3.174 N/A GLN 334.A N ARG 331.A O no hydrogen 2.853 N/A GLN 334.A NE2 ASP 447.A OD2 no hydrogen 2.921 N/A GLN 334.A NE2 ASN 564.A OD1 no hydrogen 2.915 N/A ASP 335.A N ARG 331.A O no hydrogen 2.943 N/A GLU 336.A N TRP 332.A O no hydrogen 2.765 N/A GLU 338.A N LEU 353.A O no hydrogen 3.041 N/A GLY 340.A N VAL 351.A O no hydrogen 3.007 N/A TYR 341.A N ILE 282.A O no hydrogen 2.807 N/A ILE 342.A N PHE 349.A O no hydrogen 3.077 N/A ALA 344.A N LYS 347.A O no hydrogen 2.507 N/A PHE 349.A N ILE 342.A O no hydrogen 3.127 N/A VAL 351.A N GLY 340.A O no hydrogen 2.719 N/A VAL 352.A N GLY 369.A O no hydrogen 2.909 N/A LEU 353.A N GLU 338.A O no hydrogen 2.948 N/A ASP 354.A N VAL 371.A O no hydrogen 2.610 N/A SER 355.A N.A GLU 336.A O no hydrogen 2.806 N/A SER 355.A N.B GLU 336.A O no hydrogen 2.805 N/A ARG 357.A N GLU 336.A OE1 no hydrogen 3.253 N/A ARG 357.A NE ASP 358.A OD1 no hydrogen 3.364 N/A ARG 357.A NE ASP 358.A OD2 no hydrogen 3.232 N/A ARG 357.A NH2 LEU 326.A O no hydrogen 3.057 N/A ARG 357.A NH2 ASP 358.A OD1 no hydrogen 3.291 N/A ASP 358.A N ASN 327.A O no hydrogen 3.032 N/A GLY 359.A N PRO 356.A O no hydrogen 3.372 N/A PHE 368.A N GLY 365.A O no hydrogen 3.437 N/A GLY 369.A N PRO 350.A O no hydrogen 2.813 N/A TYR 370.A N CYS 153.A O no hydrogen 3.030 N/A TYR 370.A OH ASP 354.A OD2 no hydrogen 2.706 N/A TYR 370.A OH GLU 362.A O no hydrogen 3.090 N/A VAL 371.A N VAL 352.A O no hydrogen 2.825 N/A ARG 373.A N ASP 354.A O no hydrogen 3.047 N/A THR 377.A N ASP 380.A OD2 no hydrogen 2.877 N/A SER 378.A OG.A VAL 443.A O no hydrogen 2.376 N/A SER 378.A OG.B VAL 443.A O no hydrogen 2.467 N/A SER 378.A OG.B HIS 445.A NE2 no hydrogen 3.293 N/A LEU 379.A N THR 377.A OG1 no hydrogen 3.227 N/A ASP 380.A N THR 377.A O no hydrogen 3.018 N/A SER 381.A N SER 378.A O.A no hydrogen 3.359 N/A SER 381.A N SER 378.A O.B no hydrogen 3.160 N/A SER 381.A OG ASP 335.A O no hydrogen 3.481 N/A PHE 382.A N ASP 335.A O no hydrogen 2.797 N/A GLY 383.A N SER 381.A OG no hydrogen 2.882 N/A ASN 384.A N SER 381.A O no hydrogen 2.871 N/A ASN 384.A ND2 LEU 379.A O no hydrogen 2.970 N/A ASN 384.A ND2 GLY 406.A O no hydrogen 2.995 N/A LEU 385.A N PHE 382.A O no hydrogen 3.108 N/A GLU 386.A N LEU 404.A O no hydrogen 2.882 N/A SER 388.A N ARG 402.A O no hydrogen 2.849 N/A SER 388.A OG PRO 389.A O no hydrogen 2.828 N/A SER 388.A OG ARG 402.A O no hydrogen 3.530 N/A VAL 391.A N TYR 398.A O no hydrogen 3.351 N/A VAL 393.A N LYS 396.A O no hydrogen 2.802 N/A LYS 396.A N VAL 393.A O no hydrogen 2.995 N/A LYS 396.A NZ TYR 398.A OH no hydrogen 3.564 N/A TYR 398.A N VAL 391.A O no hydrogen 2.775 N/A GLY 401.A N TYR 398.A O no hydrogen 2.866 N/A ARG 402.A N SER 388.A OG no hydrogen 2.938 N/A ARG 402.A NE ALA 432.A O no hydrogen 2.857 N/A ARG 402.A NH1 GLU 532.A O no hydrogen 3.073 N/A ARG 402.A NH1 GLU 532.A OE1 no hydrogen 3.031 N/A ARG 402.A NH2 ALA 432.A O no hydrogen 3.182 N/A ILE 403.A N GLN 431.A O no hydrogen 2.937 N/A LEU 404.A N GLU 386.A O no hydrogen 2.663 N/A ILE 405.A N VAL 434.A O no hydrogen 2.971 N/A GLY 406.A N ASN 384.A O no hydrogen 3.423 N/A SER 407.A N LEU 436.A O no hydrogen 2.835 N/A SER 407.A OG SER 408.A O no hydrogen 3.521 N/A SER 407.A OG GLU 435.A OE2 no hydrogen 3.342 N/A SER 408.A OG ARG 415.A O no hydrogen 2.708 N/A SER 412.A N PHE 409.A O no hydrogen 2.986 N/A SER 412.A OG PHE 409.A O no hydrogen 2.528 N/A GLY 414.A N SER 412.A OG no hydrogen 3.019 N/A ARG 415.A N ASP 439.A OD1 no hydrogen 2.985 N/A ARG 415.A NE ASP 439.A OD2 no hydrogen 2.664 N/A ARG 415.A NH1 THR 442.A O no hydrogen 3.066 N/A ARG 415.A NH2 ASP 439.A OD2 no hydrogen 2.994 N/A ARG 415.A NH2 LEU 441.A O no hydrogen 2.802 N/A ARG 415.A NH2 THR 442.A O no hydrogen 3.063 N/A ARG 416.A NE GLU 435.A OE2 no hydrogen 2.991 N/A ARG 416.A NH2 GLU 435.A OE1 no hydrogen 2.937 N/A ARG 416.A NH2 GLU 435.A OE2 no hydrogen 3.480 N/A THR 418.A N ASP 380.A OD1 no hydrogen 2.629 N/A THR 418.A OG1 ASP 380.A OD1 no hydrogen 3.482 N/A LYS 419.A NZ ASP 423.A OD2 no hydrogen 2.664 N/A ARG 422.A N THR 418.A O no hydrogen 2.999 N/A ARG 422.A NE MET 417.A O no hydrogen 2.854 N/A ASP 423.A N LYS 419.A O no hydrogen 2.712 N/A PHE 424.A N VAL 420.A O no hydrogen 2.998 N/A LEU 425.A N VAL 421.A O no hydrogen 3.012 N/A LYS 426.A N ARG 422.A O no hydrogen 3.025 N/A ALA 427.A N ASP 423.A O no hydrogen 2.865 N/A GLN 428.A N LEU 425.A O no hydrogen 3.316 N/A GLN 428.A NE2 PRO 242.A O no hydrogen 2.948 N/A GLN 428.A NE2 PHE 424.A O no hydrogen 2.861 N/A GLN 429.A N LYS 426.A O no hydrogen 3.055 N/A VAL 430.A N GLN 428.A O no hydrogen 2.756 N/A GLN 431.A NE2 MET 283.A O no hydrogen 2.803 N/A GLN 431.A NE2 LEU 400.A O no hydrogen 2.894 N/A ALA 432.A N GLN 429.A O no hydrogen 3.189 N/A VAL 434.A N ILE 403.A O no hydrogen 2.767 N/A LEU 436.A N ILE 405.A O no hydrogen 2.740 N/A TYR 437.A N ASN 525.A OD1 no hydrogen 2.720 N/A SER 438.A N SER 407.A O no hydrogen 2.962 N/A SER 438.A OG ASN 384.A OD1 no hydrogen 3.359 N/A SER 438.A OG GLY 444.A O no hydrogen 2.879 N/A ASP 439.A N SER 407.A O no hydrogen 3.184 N/A TRP 440.A NE1 TYR 437.A O no hydrogen 2.965 N/A LEU 441.A N SER 438.A O no hydrogen 3.110 N/A THR 442.A N ALA 555.A O no hydrogen 2.830 N/A THR 442.A OG1 ASP 550.A OD1 no hydrogen 2.781 N/A THR 442.A OG1 ALA 555.A O no hydrogen 3.239 N/A HIS 445.A N GLU 448.A OE2 no hydrogen 2.913 N/A HIS 445.A NE2 SER 378.A O.A no hydrogen 2.633 N/A HIS 445.A NE2 SER 378.A O.B no hydrogen 2.783 N/A VAL 446.A N ASN 384.A OD1 no hydrogen 2.971 N/A ASP 447.A N GLY 383.A O no hydrogen 3.161 N/A GLU 448.A N HIS 445.A O no hydrogen 2.944 N/A PHE 449.A N VAL 446.A O no hydrogen 3.201 N/A MET 450.A N VAL 446.A O no hydrogen 3.230 N/A SER 451.A N LEU 464.A O no hydrogen 3.069 N/A SER 451.A OG.A VAL 563.A O.A no hydrogen 3.114 N/A SER 451.A OG.A VAL 563.A O.B no hydrogen 3.095 N/A VAL 453.A N LEU 462.A O no hydrogen 3.043 N/A ILE 455.A N LYS 460.A O no hydrogen 2.892 N/A THR 458.A N ILE 455.A O no hydrogen 3.097 N/A THR 458.A OG1 ILE 455.A O no hydrogen 2.859 N/A LYS 460.A N THR 458.A OG1 no hydrogen 2.898 N/A LEU 462.A N VAL 453.A O no hydrogen 2.726 N/A LEU 463.A N ASP 539.A O no hydrogen 2.889 N/A LEU 464.A N SER 451.A O no hydrogen 2.796 N/A MET 465.A N ILE 541.A O no hydrogen 2.955 N/A ALA 466.A N PHE 449.A O no hydrogen 2.933 N/A SER 467.A N LEU 543.A O no hydrogen 2.711 N/A SER 467.A OG GLN 519.A OE1 no hydrogen 3.332 N/A THR 468.A OG1 ASN 515.A O no hydrogen 2.831 N/A THR 468.A OG1 GLN 519.A OE1 no hydrogen 3.367 N/A SER 469.A N GLN 519.A OE1 no hydrogen 2.986 N/A SER 469.A OG SER 467.A OG no hydrogen 3.014 N/A ALA 470.A N SER 467.A OG no hydrogen 2.993 N/A TYR 472.A N THR 468.A O no hydrogen 2.981 N/A LYS 473.A N SER 469.A O no hydrogen 2.976 N/A LEU 474.A N ALA 470.A O no hydrogen 3.094 N/A PHE 475.A N CYS 471.A O no hydrogen 2.798 N/A ARG 476.A N TYR 472.A O no hydrogen 2.877 N/A GLU 477.A N LYS 473.A O no hydrogen 2.942 N/A LYS 478.A N LEU 474.A O no hydrogen 3.062 N/A GLN 479.A N PHE 475.A O no hydrogen 2.983 N/A GLN 479.A NE2 ASN 503.A OD1 no hydrogen 2.783 N/A LYS 480.A N ARG 476.A O no hydrogen 3.004 N/A ASP 481.A N GLU 477.A O no hydrogen 2.844 N/A GLY 482.A N GLN 479.A O no hydrogen 2.883 N/A HIS 483.A N LYS 478.A O no hydrogen 2.813 N/A ALA 486.A N HIS 483.A O no hydrogen 2.951 N/A MET 488.A N ILE 500.A O no hydrogen 2.911 N/A PHE 489.A N PHE 578.A O no hydrogen 2.903 N/A LEU 492.A N PHE 489.A O no hydrogen 2.958 N/A GLY 494.A N HIS 613.A O no hydrogen 2.813 N/A MET 495.A N.A LEU 492.A O no hydrogen 2.924 N/A MET 495.A N.B LEU 492.A O no hydrogen 2.924 N/A SER 496.A N GLY 493.A O no hydrogen 3.343 N/A SER 496.A OG LEU 492.A O no hydrogen 3.535 N/A SER 496.A OG GLY 493.A O no hydrogen 3.338 N/A LYS 498.A N MET 495.A O.A no hydrogen 2.899 N/A ARG 499.A N SER 496.A O no hydrogen 2.917 N/A ILE 502.A N ALA 486.A O no hydrogen 3.138 N/A ASN 503.A N GLY 484.A O no hydrogen 2.760 N/A ASN 503.A ND2 GLU 485.A OE2 no hydrogen 3.131 N/A LYS 504.A N THR 501.A OG1 no hydrogen 3.041 N/A LYS 504.A NZ ARG 499.A O no hydrogen 3.006 N/A ILE 505.A N THR 501.A O no hydrogen 3.063 N/A LEU 506.A N ILE 502.A O no hydrogen 2.943 N/A SER 507.A N ASN 503.A O no hydrogen 2.983 N/A SER 507.A OG.A ASN 503.A O no hydrogen 3.161 N/A SER 507.A OG.B ASN 503.A O no hydrogen 3.307 N/A SER 507.A OG.B LYS 504.A O no hydrogen 3.387 N/A ASN 508.A N ILE 505.A O no hydrogen 3.083 N/A SER 510.A OG ASN 508.A OD1 no hydrogen 3.137 N/A LEU 511.A N ASN 508.A OD1 no hydrogen 3.116 N/A VAL 512.A N ASN 508.A O no hydrogen 3.075 N/A GLN 513.A N GLU 509.A O.A no hydrogen 3.099 N/A GLN 513.A N GLU 509.A O.B no hydrogen 3.045 N/A GLU 514.A N SER 510.A O no hydrogen 2.839 N/A ASN 515.A N LEU 511.A O no hydrogen 2.999 N/A ASN 515.A ND2 LEU 511.A O no hydrogen 2.930 N/A ASN 515.A ND2 PHE 547.A O no hydrogen 2.927 N/A LEU 516.A N VAL 512.A O no hydrogen 2.981 N/A TYR 517.A N GLN 513.A O no hydrogen 3.129 N/A PHE 518.A N GLU 514.A O no hydrogen 2.952 N/A GLN 519.A N ASN 515.A O no hydrogen 2.908 N/A GLN 519.A NE2 ASP 523.A OD1 no hydrogen 2.930 N/A ARG 520.A N LEU 516.A O no hydrogen 3.058 N/A CYS 521.A N TYR 517.A O no hydrogen 3.093 N/A CYS 521.A SG TYR 517.A O no hydrogen 3.584 N/A LEU 522.A N PHE 518.A O no hydrogen 2.890 N/A ASP 523.A N GLN 519.A O no hydrogen 2.849 N/A TRP 524.A N ARG 520.A O no hydrogen 2.975 N/A ASN 525.A N CYS 521.A O no hydrogen 3.280 N/A ASN 525.A ND2 TYR 437.A O no hydrogen 2.770 N/A ASN 525.A ND2 CYS 521.A O no hydrogen 3.011 N/A ARG 526.A N LEU 522.A O no hydrogen 2.851 N/A ARG 526.A NE GLU 537.A OE2 no hydrogen 2.905 N/A ARG 526.A NH1 ASP 542.A OD1 no hydrogen 3.375 N/A ARG 526.A NH1 ASP 542.A OD2 no hydrogen 2.798 N/A ARG 526.A NH2 GLU 537.A OE1 no hydrogen 2.949 N/A ARG 526.A NH2 ASP 542.A OD1 no hydrogen 2.879 N/A ASP 527.A N ASP 523.A O no hydrogen 3.002 N/A ILE 528.A N TRP 524.A O no hydrogen 3.219 N/A LEU 529.A N ASN 525.A O no hydrogen 2.821 N/A LYS 530.A N ARG 526.A O no hydrogen 2.913 N/A LYS 530.A NZ GLU 537.A OE2 no hydrogen 2.812 N/A LYS 531.A N ASP 527.A O no hydrogen 2.999 N/A GLU 532.A N ILE 528.A O no hydrogen 2.807 N/A LEU 533.A N LEU 529.A O no hydrogen 2.788 N/A LEU 535.A N LYS 530.A O no hydrogen 3.041 N/A THR 536.A N ASP 539.A OD2 no hydrogen 2.925 N/A THR 536.A OG1 GLN 538.A OE1.A no hydrogen 2.599 N/A THR 536.A OG1 ASP 539.A OD2 no hydrogen 3.481 N/A GLN 538.A N.A THR 536.A OG1 no hydrogen 3.138 N/A GLN 538.A N.B THR 536.A OG1 no hydrogen 3.166 N/A ASP 539.A N THR 536.A O no hydrogen 2.948 N/A ILE 540.A N GLU 537.A O no hydrogen 3.246 N/A ILE 541.A N LEU 463.A O no hydrogen 2.967 N/A LEU 543.A N MET 465.A O no hydrogen 2.782 N/A ALA 545.A N SER 467.A O no hydrogen 2.968 N/A PHE 547.A N ASN 515.A OD1 no hydrogen 2.986 N/A LYS 548.A N ARG 556.A O no hydrogen 2.880 N/A MET 549.A N GLU 514.A OE1 no hydrogen 3.399 N/A ASP 550.A N ARG 554.A O no hydrogen 2.775 N/A ASP 552.A N ASP 550.A OD2 no hydrogen 2.730 N/A HIS 553.A N ASP 550.A O no hydrogen 2.957 N/A ARG 554.A N ASP 550.A OD2 no hydrogen 2.822 N/A ARG 554.A NE ASP 439.A O no hydrogen 2.692 N/A ARG 554.A NH2 ASP 439.A OD1 no hydrogen 3.097 N/A ALA 555.A N TRP 440.A O no hydrogen 2.753 N/A ARG 556.A N LYS 548.A O no hydrogen 2.913 N/A PHE 558.A N LEU 546.A O no hydrogen 2.853 N/A ASN 564.A N ASN 561.A O no hydrogen 3.371 N/A ILE 566.A N GLY 573.A O no hydrogen 2.807 N/A LEU 568.A N ASP 571.A O no hydrogen 2.834 N/A LYS 570.A NZ ASP 571.A OD2 no hydrogen 2.588 N/A ASP 571.A N LEU 568.A O no hydrogen 2.983 N/A LEU 572.A N GLU 602.A O no hydrogen 2.936 N/A GLY 573.A N ILE 566.A O no hydrogen 2.889 N/A ILE 574.A N THR 604.A O no hydrogen 2.804 N/A LYS 576.A N ILE 606.A O no hydrogen 2.892 N/A VAL 582.A N GLU 585.A O no hydrogen 2.866 N/A GLU 585.A N VAL 582.A O no hydrogen 3.093 N/A CYS 587.A N PRO 580.A O no hydrogen 2.925 N/A CYS 587.A SG PRO 580.A O no hydrogen 3.462 N/A MET 590.A N CYS 586.A O no hydrogen 3.000 N/A HIS 591.A N CYS 587.A O no hydrogen 3.029 N/A VAL 592.A N LEU 588.A O no hydrogen 2.987 N/A ARG 593.A N GLU 589.A O no hydrogen 2.968 N/A ARG 593.A NH1 GLU 597.A OE2 no hydrogen 2.829 N/A ARG 593.A NH1 CYS 603.A O no hydrogen 2.818 N/A ARG 593.A NH2 CYS 603.A O no hydrogen 3.258 N/A GLY 594.A N MET 590.A O no hydrogen 3.030 N/A LEU 595.A N HIS 591.A O no hydrogen 3.090 N/A LEU 595.A N VAL 592.A O no hydrogen 3.088 N/A LEU 596.A N VAL 592.A O no hydrogen 2.969 N/A GLU 597.A N ARG 593.A O no hydrogen 2.831 N/A LEU 599.A N LEU 596.A O no hydrogen 2.963 N/A GLY 600.A N GLU 597.A O no hydrogen 2.814 N/A GLU 602.A N LYS 570.A O no hydrogen 2.784 N/A THR 604.A N LEU 572.A O no hydrogen 2.920 N/A ILE 606.A N ILE 574.A O no hydrogen 2.683 N/A ASP 607.A N GLU 307.A OE1 no hydrogen 2.885 N/A SER 610.A N ASP 607.A OD2 no hydrogen 2.822 N/A SER 610.A OG ASP 607.A OD1 no hydrogen 2.558 N/A SER 610.A OG ASP 607.A OD2 no hydrogen 3.395 N/A TYR 612.A N ILE 609.A O no hydrogen 2.975 N/A HIS 613.A N SER 610.A O no hydrogen 2.895 N/A HIS 620.A ND1 ASP 330.A OD2 no hydrogen 2.771 N/A GLY 622.A N CYS 296.A O no hydrogen 3.105 N/A THR 623.A N GLN 334.A OE1 no hydrogen 3.231 N/A ASN 624.A N PHE 294.A O no hydrogen 2.747 N/A ASN 624.A ND2 ILE 333.A O no hydrogen 2.878 N/A ARG 626.A N.A SER 292.A O no hydrogen 2.826 N/A ARG 626.A N.B SER 292.A O no hydrogen 2.819 N/A ARG 627.A NH1 LEU 288.A O no hydrogen 2.906 N/A ARG 627.A NH1 VAL 567.A O no hydrogen 3.191 N/A ARG 627.A NH2 VAL 567.A O no hydrogen 2.736 N/A LYS 628.A N PRO 289.A O no hydrogen 2.914 N/A LYS 633.A NZ GLU 343.A OE1 no hydrogen 2.493 N/A TRP 634.A NE1 GLU 343.A O no hydrogen 2.850 N/A HIS 636.A N LYS 633.A O no hydrogen 2.907 N/A MET 637.A N TRP 634.A O no hydrogen 3.070 N/A