Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jjr_a.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 164.A O no hydrogen 2.397 N/A TRP 11.A N ALA 8.A O no hydrogen 3.190 N/A LYS 13.A N LEU 10.A O no hydrogen 3.200 N/A ASN 18.A N GLY 15.A O no hydrogen 3.252 N/A LEU 21.A N ASN 18.A O no hydrogen 3.281 N/A SER 22.A N LYS 19.A O no hydrogen 3.169 N/A SER 22.A OG LYS 19.A O no hydrogen 3.379 N/A THR 28.A N GLN 627.A O no hydrogen 3.396 N/A THR 28.A OG1 ARG 629.A O no hydrogen 3.368 N/A TRP 30.A N THR 27.A O no hydrogen 3.289 N/A TRP 30.A NE1 LEU 21.A O no hydrogen 3.159 N/A TRP 32.A N THR 28.A O no hydrogen 3.031 N/A ASN 33.A N THR 29.A O no hydrogen 2.854 N/A LEU 34.A N TRP 30.A O no hydrogen 2.887 N/A HIS 35.A N ILE 31.A O no hydrogen 3.040 N/A HIS 35.A ND1 ILE 31.A O no hydrogen 2.728 N/A ALA 36.A N TRP 32.A O no hydrogen 2.890 N/A SER 37.A N ASN 33.A O no hydrogen 2.904 N/A SER 37.A OG ASN 33.A O no hydrogen 2.837 N/A ALA 38.A N HIS 35.A O no hydrogen 3.398 N/A ASP 40.A N SER 37.A O no hydrogen 3.334 N/A ILE 43.A N ASP 40.A O no hydrogen 3.180 N/A GLN 44.A NE2 SER 37.A O no hydrogen 3.112 N/A GLN 44.A NE2 ALA 38.A O no hydrogen 2.508 N/A GLN 45.A N PHE 17.A O no hydrogen 2.800 N/A ILE 51.A N SER 47.A O no hydrogen 2.919 N/A ALA 52.A N ALA 48.A O no hydrogen 2.944 N/A ARG 53.A N GLY 49.A O no hydrogen 2.894 N/A LYS 54.A N LEU 50.A O no hydrogen 2.890 N/A LYS 54.A NZ GLN 44.A OE1 no hydrogen 2.638 N/A VAL 55.A N ILE 51.A O no hydrogen 2.915 N/A PHE 56.A N ALA 52.A O no hydrogen 2.965 N/A SER 57.A N ARG 53.A O no hydrogen 2.929 N/A SER 57.A OG ARG 53.A O no hydrogen 2.677 N/A SER 58.A N LYS 54.A O no hydrogen 2.857 N/A SER 58.A OG LYS 54.A O no hydrogen 2.475 N/A GLY 59.A N VAL 55.A O no hydrogen 2.951 N/A LEU 60.A N PHE 56.A O no hydrogen 2.978 N/A ALA 61.A N SER 57.A O no hydrogen 2.881 N/A HIS 62.A N SER 58.A O no hydrogen 2.900 N/A LEU 63.A N GLY 59.A O no hydrogen 2.909 N/A SER 64.A N LEU 60.A O no hydrogen 2.917 N/A SER 64.A OG ALA 61.A O no hydrogen 2.662 N/A LEU 65.A N ALA 61.A O no hydrogen 2.925 N/A VAL 66.A N HIS 62.A O no hydrogen 2.917 N/A PHE 67.A N LEU 63.A O no hydrogen 2.921 N/A PHE 68.A N SER 64.A O no hydrogen 2.876 N/A TRP 69.A N LEU 65.A O no hydrogen 2.940 N/A LEU 70.A N VAL 66.A O no hydrogen 2.916 N/A GLY 71.A N PHE 67.A O no hydrogen 2.871 N/A GLY 72.A N PHE 68.A O no hydrogen 2.895 N/A MET 73.A N TRP 69.A O no hydrogen 2.940 N/A HIS 74.A N LEU 70.A O no hydrogen 2.923 N/A HIS 74.A ND1 TYR 130.A OH no hydrogen 3.074 N/A PHE 75.A N GLY 71.A O no hydrogen 2.880 N/A HIS 76.A N GLY 72.A O no hydrogen 2.910 N/A GLY 77.A N MET 73.A O no hydrogen 2.938 N/A ALA 78.A N HIS 74.A O no hydrogen 2.890 N/A TYR 79.A N PHE 75.A O no hydrogen 2.924 N/A LEU 80.A N HIS 76.A O no hydrogen 2.866 N/A SER 81.A OG GLY 77.A O no hydrogen 2.120 N/A ASN 82.A N SER 96.A O no hydrogen 3.121 N/A ASN 82.A ND2 ALA 94.A O no hydrogen 3.140 N/A TYR 83.A N SER 81.A OG no hydrogen 3.314 N/A TYR 83.A OH ILE 135.A O no hydrogen 2.611 N/A TRP 86.A N ASN 82.A O no hydrogen 2.937 N/A LEU 87.A N TYR 83.A O no hydrogen 2.911 N/A LYS 88.A N SER 84.A O no hydrogen 3.181 N/A ASP 89.A N ALA 85.A O no hydrogen 3.037 N/A LYS 91.A NZ ASP 427.A OD2 no hydrogen 3.523 N/A SER 92.A N ASP 89.A OD1 no hydrogen 3.469 N/A SER 92.A OG ASP 89.A OD1 no hydrogen 3.078 N/A SER 92.A OG ASP 89.A OD2 no hydrogen 3.074 N/A SER 96.A N ASN 82.A OD1 no hydrogen 3.194 N/A SER 96.A OG ILE 120.A O no hydrogen 3.049 N/A ALA 100.A N ASN 110.A OD1 no hydrogen 2.996 N/A GLN 106.A NE2 TYR 101.A O no hydrogen 3.594 N/A ILE 108.A N GLY 105.A O no hydrogen 3.201 N/A LEU 109.A N GLN 106.A O no hydrogen 3.099 N/A ASN 110.A N ASP 107.A O no hydrogen 3.213 N/A ASN 110.A ND2 ALA 100.A O no hydrogen 3.137 N/A SER 111.A N GLY 119.A O no hydrogen 2.695 N/A SER 111.A OG GLY 119.A O no hydrogen 2.988 N/A THR 113.A OG1 PHE 117.A O no hydrogen 3.336 N/A SER 114.A N PHE 117.A O no hydrogen 3.316 N/A GLN 115.A NE2 TYR 112.A OH no hydrogen 3.395 N/A GLY 119.A N SER 111.A O no hydrogen 3.104 N/A ILE 120.A N HIS 98.A O no hydrogen 2.725 N/A ILE 122.A N PRO 95.A O no hydrogen 2.901 N/A GLN 128.A N GLN 128.A OE1 no hydrogen 2.864 N/A GLN 128.A NE2 ASP 321.A OD2 no hydrogen 2.775 N/A LEU 129.A N GLY 125.A O no hydrogen 2.918 N/A TYR 130.A N PHE 126.A O no hydrogen 2.870 N/A TYR 130.A OH HIS 74.A ND1 no hydrogen 3.074 N/A ARG 131.A N PHE 127.A O no hydrogen 2.925 N/A ARG 131.A NH1 ASP 211.A OD1 no hydrogen 3.535 N/A SER 132.A N GLN 128.A O no hydrogen 2.907 N/A SER 132.A OG GLN 128.A O no hydrogen 2.983 N/A SER 132.A OG LEU 129.A O no hydrogen 2.507 N/A GLU 133.A N LEU 129.A O no hydrogen 2.906 N/A GLY 134.A N ARG 131.A O no hydrogen 3.134 N/A ILE 135.A N TYR 130.A O no hydrogen 2.896 N/A VAL 136.A N GLN 140.A OE1 no hydrogen 2.828 N/A THR 137.A OG1 SER 139.A OG no hydrogen 3.338 N/A SER 139.A OG THR 137.A OG1 no hydrogen 3.338 N/A GLN 140.A N THR 137.A OG1 no hydrogen 3.248 N/A LEU 141.A N THR 137.A O no hydrogen 2.992 N/A LYS 142.A N GLN 138.A O no hydrogen 2.834 N/A TYR 143.A N SER 139.A O no hydrogen 2.913 N/A ALA 144.A N GLN 140.A O no hydrogen 2.933 N/A CYS 145.A N LEU 141.A O no hydrogen 2.927 N/A CYS 145.A SG GLY 71.A O no hydrogen 3.600 N/A ALA 146.A N LYS 142.A O no hydrogen 2.895 N/A ALA 147.A N TYR 143.A O no hydrogen 2.889 N/A SER 148.A N ALA 144.A O no hydrogen 2.930 N/A SER 148.A OG ALA 144.A O no hydrogen 3.332 N/A LEU 149.A N CYS 145.A O no hydrogen 2.923 N/A ILE 150.A N ALA 146.A O no hydrogen 2.898 N/A ALA 151.A N ALA 147.A O no hydrogen 2.889 N/A THR 152.A N SER 148.A O no hydrogen 2.894 N/A THR 152.A OG1 SER 64.A O no hydrogen 3.273 N/A THR 152.A OG1 SER 148.A O no hydrogen 2.986 N/A LEU 153.A N LEU 149.A O no hydrogen 2.950 N/A ILE 154.A N ILE 150.A O no hydrogen 2.888 N/A CYS 155.A N ALA 151.A O no hydrogen 2.877 N/A CYS 155.A SG ALA 151.A O no hydrogen 3.403 N/A LEU 156.A N THR 152.A O no hydrogen 2.933 N/A SER 157.A N LEU 153.A O no hydrogen 2.924 N/A SER 157.A OG LEU 153.A O no hydrogen 2.769 N/A GLY 158.A N ILE 154.A O no hydrogen 2.860 N/A SER 159.A N CYS 155.A O no hydrogen 2.919 N/A SER 159.A OG SER 57.A O no hydrogen 2.284 N/A TYR 160.A N LEU 156.A O no hydrogen 2.985 N/A LEU 161.A N SER 157.A O no hydrogen 2.866 N/A HIS 162.A N GLY 158.A O no hydrogen 2.857 N/A HIS 162.A ND1 GLY 158.A O no hydrogen 3.171 N/A MET 163.A N SER 159.A O no hydrogen 3.026 N/A GLN 164.A N LEU 161.A O no hydrogen 2.873 N/A LEU 165.A N LEU 161.A O no hydrogen 2.864 N/A SER 167.A N THR 170.A OG1 no hydrogen 2.676 N/A THR 170.A N SER 167.A O no hydrogen 2.984 N/A THR 170.A OG1 SER 167.A O no hydrogen 3.014 N/A LYS 174.A N SER 171.A O no hydrogen 2.982 N/A LYS 175.A N PHE 172.A O no hydrogen 3.450 N/A PHE 176.A N LYS 174.A O no hydrogen 2.994 N/A LEU 179.A N LYS 175.A O no hydrogen 2.777 N/A SER 180.A N PHE 176.A O no hydrogen 2.868 N/A SER 180.A OG PHE 176.A O no hydrogen 3.004 N/A SER 180.A OG GLN 177.A O no hydrogen 3.019 N/A GLN 181.A N GLN 177.A O no hydrogen 2.925 N/A SER 182.A N SER 178.A O no hydrogen 2.905 N/A SER 182.A OG SER 178.A O no hydrogen 2.512 N/A HIS 183.A N LEU 179.A O no hydrogen 2.935 N/A LEU 184.A N SER 180.A O no hydrogen 2.877 N/A ILE 185.A N GLN 181.A O no hydrogen 2.936 N/A ILE 186.A N SER 182.A O no hydrogen 2.894 N/A MET 187.A N SER 182.A O no hydrogen 3.385 N/A PHE 188.A N HIS 183.A O no hydrogen 2.960 N/A GLY 189.A N LEU 184.A O no hydrogen 3.147 N/A PHE 190.A N ILE 185.A O no hydrogen 2.871 N/A GLY 191.A N ILE 186.A O no hydrogen 2.975 N/A SER 192.A N PHE 188.A O no hydrogen 2.882 N/A SER 192.A OG HIS 252.A O no hydrogen 2.273 N/A VAL 193.A N GLY 189.A O no hydrogen 2.965 N/A SER 194.A N PHE 190.A O no hydrogen 2.848 N/A SER 194.A OG PHE 190.A O no hydrogen 2.456 N/A SER 194.A OG GLY 191.A O no hydrogen 2.689 N/A PHE 195.A N GLY 191.A O no hydrogen 2.910 N/A SER 196.A N SER 192.A O no hydrogen 2.899 N/A SER 196.A OG VAL 193.A O no hydrogen 2.566 N/A ALA 197.A N VAL 193.A O no hydrogen 2.932 N/A HIS 198.A N SER 194.A O no hydrogen 2.873 N/A GLN 199.A N PHE 195.A O no hydrogen 2.876 N/A ILE 200.A N SER 196.A O no hydrogen 2.919 N/A HIS 201.A N ALA 197.A O no hydrogen 2.915 N/A GLU 202.A N HIS 198.A O no hydrogen 2.877 N/A LEU 204.A N GLN 199.A O no hydrogen 2.942 N/A ASN 207.A N ALA 203.A O no hydrogen 2.691 N/A ASN 207.A ND2 ARG 131.A O no hydrogen 2.824 N/A ASN 207.A ND2 SER 132.A O no hydrogen 3.322 N/A ASN 207.A ND2 ALA 203.A O no hydrogen 3.268 N/A SER 208.A N LEU 204.A O no hydrogen 2.911 N/A LEU 209.A N PRO 205.A O no hydrogen 2.919 N/A LEU 210.A N ILE 206.A O no hydrogen 2.895 N/A ASP 211.A N ASN 207.A O no hydrogen 2.893 N/A SER 212.A N SER 208.A O no hydrogen 2.943 N/A SER 212.A OG SER 208.A O no hydrogen 2.605 N/A GLY 213.A N LEU 209.A O no hydrogen 2.882 N/A ILE 214.A N LEU 209.A O no hydrogen 2.867 N/A GLN 218.A N ASP 216.A OD1 no hydrogen 2.745 N/A LEU 219.A N ASP 216.A OD1 no hydrogen 3.443 N/A PHE 220.A N ASP 216.A O no hydrogen 2.939 N/A SER 221.A N PRO 217.A O no hydrogen 2.900 N/A SER 221.A N GLN 218.A O no hydrogen 3.245 N/A SER 221.A OG PRO 217.A O no hydrogen 3.464 N/A THR 232.A OG1 GLN 247.A OE1 no hydrogen 2.365 N/A LYS 234.A N ILE 231.A O no hydrogen 3.053 N/A ASN 237.A N SER 242.A O no hydrogen 2.878 N/A ASN 237.A ND2 ASP 211.A OD2 no hydrogen 3.456 N/A ASN 237.A ND2 THR 240.A OG1 no hydrogen 2.831 N/A THR 240.A N ASN 237.A O no hydrogen 3.060 N/A THR 240.A OG1 ASP 211.A OD1 no hydrogen 3.257 N/A GLY 241.A N ASN 237.A O no hydrogen 2.482 N/A SER 242.A OG ILE 243.A O no hydrogen 3.561 N/A ILE 243.A N PRO 313.A O no hydrogen 2.798 N/A VAL 248.A N PHE 244.A O no hydrogen 2.970 N/A ALA 249.A N LEU 245.A O no hydrogen 2.866 N/A ALA 250.A N SER 246.A O no hydrogen 2.911 N/A HIS 251.A N GLN 247.A O no hydrogen 2.871 N/A HIS 252.A N VAL 248.A O no hydrogen 2.931 N/A HIS 252.A ND1 GLN 199.A OE1 no hydrogen 2.975 N/A LEU 253.A N ALA 249.A O no hydrogen 2.940 N/A ALA 254.A N ALA 250.A O no hydrogen 2.918 N/A VAL 255.A N HIS 251.A O no hydrogen 2.849 N/A GLY 256.A N HIS 252.A O no hydrogen 2.902 N/A ILE 257.A N LEU 253.A O no hydrogen 2.950 N/A VAL 258.A N ALA 254.A O no hydrogen 2.884 N/A PHE 259.A N VAL 255.A O no hydrogen 2.894 N/A ILE 260.A N GLY 256.A O no hydrogen 2.922 N/A THR 261.A N ILE 257.A O no hydrogen 2.883 N/A THR 261.A OG1 ILE 257.A O no hydrogen 2.858 N/A LEU 262.A N VAL 258.A O no hydrogen 2.881 N/A GLY 263.A N PHE 259.A O no hydrogen 2.928 N/A LEU 264.A N ILE 260.A O no hydrogen 2.877 N/A ILE 265.A N THR 261.A O no hydrogen 2.908 N/A LYS 266.A N LEU 262.A O no hydrogen 2.952 N/A TRP 267.A N GLY 263.A O no hydrogen 2.850 N/A CYS 268.A N LEU 264.A O no hydrogen 2.882 N/A CYS 268.A SG LEU 264.A O no hydrogen 3.411 N/A ASN 269.A N LYS 266.A O no hydrogen 3.041 N/A LEU 270.A N ILE 265.A O no hydrogen 2.807 N/A ARG 274.A N PHE 272.A O no hydrogen 2.740 N/A ILE 277.A N ARG 274.A O no hydrogen 3.167 N/A LEU 278.A N ASN 275.A O no hydrogen 3.145 N/A ARG 281.A N ILE 277.A O no hydrogen 2.872 N/A LEU 282.A N LEU 278.A O no hydrogen 2.907 N/A ALA 283.A N SER 279.A O no hydrogen 2.931 N/A TYR 284.A N LEU 280.A O no hydrogen 2.877 N/A TYR 284.A OH THR 357.A OG1 no hydrogen 2.408 N/A HIS 288.A N ASP 286.A OD2 no hydrogen 3.353 N/A HIS 288.A ND1 HIS 346.A ND1 no hydrogen 3.315 N/A HIS 288.A NE2 ASP 42.A OD2 no hydrogen 2.973 N/A GLN 290.A N ASP 286.A O no hydrogen 2.943 N/A GLN 290.A NE2 TYR 284.A O no hydrogen 2.679 N/A LEU 291.A N TYR 287.A O no hydrogen 2.875 N/A SER 292.A N HIS 288.A O no hydrogen 2.861 N/A SER 292.A OG SER 343.A O no hydrogen 2.522 N/A SER 292.A OG SER 343.A OG no hydrogen 2.784 N/A ILE 293.A N ALA 289.A O no hydrogen 2.953 N/A ASN 294.A N GLN 290.A O no hydrogen 2.887 N/A LEU 295.A N LEU 291.A O no hydrogen 2.857 N/A ALA 296.A N SER 292.A O no hydrogen 2.949 N/A VAL 297.A N ILE 293.A O no hydrogen 2.920 N/A TRP 298.A N ASN 294.A O no hydrogen 2.886 N/A ALA 299.A N LEU 295.A O no hydrogen 2.850 N/A SER 300.A N ALA 296.A O no hydrogen 2.956 N/A SER 300.A OG ALA 296.A O no hydrogen 3.022 N/A SER 300.A OG VAL 297.A O no hydrogen 2.622 N/A LEU 301.A N VAL 297.A O no hydrogen 2.923 N/A SER 302.A N TRP 298.A O no hydrogen 2.825 N/A SER 302.A OG HIS 332.A O no hydrogen 2.856 N/A MET 303.A N ALA 299.A O no hydrogen 2.947 N/A VAL 304.A N SER 300.A O no hydrogen 2.939 N/A ALA 305.A N LEU 301.A O no hydrogen 2.840 N/A ALA 306.A N SER 302.A O no hydrogen 2.850 N/A HIS 307.A N MET 303.A O no hydrogen 2.985 N/A HIS 308.A N VAL 304.A O no hydrogen 2.871 N/A LEU 309.A N ALA 305.A O no hydrogen 2.853 N/A THR 310.A OG1 HIS 307.A O no hydrogen 3.150 N/A GLU 311.A N HIS 307.A O no hydrogen 2.935 N/A ILE 312.A N HIS 308.A O no hydrogen 2.870 N/A TYR 317.A OH SER 239.A O no hydrogen 3.240 N/A GLU 318.A N TYR 315.A O no hydrogen 3.440 N/A SER 319.A OG GLY 241.A O no hydrogen 2.921 N/A THR 320.A OG1 TYR 317.A O no hydrogen 3.302 N/A ASP 321.A N TYR 317.A O no hydrogen 2.938 N/A TYR 322.A OH ILE 430.A O no hydrogen 3.223 N/A THR 324.A OG1 ASP 321.A OD2 no hydrogen 2.399 N/A VAL 325.A N ASP 321.A O no hydrogen 3.144 N/A LEU 326.A N TYR 322.A O no hydrogen 3.094 N/A CYS 327.A N PRO 323.A O no hydrogen 2.922 N/A LEU 328.A N THR 324.A O no hydrogen 2.896 N/A PHE 329.A N VAL 325.A O no hydrogen 2.957 N/A VAL 330.A N LEU 326.A O no hydrogen 2.941 N/A HIS 331.A N CYS 327.A O no hydrogen 2.871 N/A HIS 332.A N LEU 328.A O no hydrogen 2.980 N/A HIS 332.A ND1 LEU 328.A O no hydrogen 2.783 N/A ALA 333.A N PHE 329.A O no hydrogen 2.905 N/A CYS 334.A N VAL 330.A O no hydrogen 2.946 N/A CYS 334.A SG VAL 330.A O no hydrogen 3.635 N/A LEU 335.A N HIS 331.A O no hydrogen 2.966 N/A SER 336.A N HIS 332.A O no hydrogen 2.894 N/A SER 336.A OG ALA 299.A O no hydrogen 3.154 N/A GLY 337.A N ALA 333.A O no hydrogen 2.989 N/A PHE 338.A N CYS 334.A O no hydrogen 2.952 N/A PHE 339.A N LEU 335.A O no hydrogen 2.904 N/A THR 340.A N SER 336.A O no hydrogen 2.929 N/A THR 340.A OG1 SER 336.A O no hydrogen 2.702 N/A VAL 341.A N GLY 337.A O no hydrogen 3.023 N/A ALA 342.A N PHE 338.A O no hydrogen 2.933 N/A SER 343.A N PHE 339.A O no hydrogen 2.882 N/A SER 343.A OG SER 292.A O no hydrogen 2.402 N/A SER 343.A OG SER 292.A OG no hydrogen 2.784 N/A GLY 344.A N THR 340.A O no hydrogen 3.012 N/A ALA 345.A N VAL 341.A O no hydrogen 2.936 N/A HIS 346.A N ALA 342.A O no hydrogen 2.952 N/A HIS 346.A ND1 HIS 288.A ND1 no hydrogen 3.315 N/A ALA 347.A N SER 343.A O no hydrogen 2.886 N/A SER 348.A N GLY 344.A O no hydrogen 2.998 N/A SER 348.A OG GLY 344.A O no hydrogen 3.032 N/A ILE 349.A N ALA 345.A O no hydrogen 2.943 N/A PHE 350.A N HIS 346.A O no hydrogen 2.884 N/A VAL 351.A N ALA 347.A O no hydrogen 2.930 N/A ILE 352.A N SER 348.A O no hydrogen 2.930 N/A ARG 353.A N ILE 349.A O no hydrogen 2.920 N/A GLN 354.A N PHE 350.A O no hydrogen 2.839 N/A THR 357.A OG1 TYR 284.A OH no hydrogen 2.408 N/A ILE 360.A N THR 357.A O no hydrogen 3.187 N/A ARG 361.A N SER 358.A O no hydrogen 3.195 N/A ARG 363.A NH1 LEU 464.A O no hydrogen 3.192 N/A ARG 363.A NH1 ASN 468.A O no hydrogen 2.723 N/A ILE 367.A N ARG 363.A O no hydrogen 2.993 N/A GLY 368.A N ASP 364.A O no hydrogen 2.885 N/A HIS 369.A N PRO 365.A O no hydrogen 2.920 N/A HIS 369.A ND1 PRO 365.A O no hydrogen 2.957 N/A LEU 370.A N ILE 366.A O no hydrogen 2.943 N/A ILE 371.A N ILE 367.A O no hydrogen 2.816 N/A TRP 372.A N GLY 368.A O no hydrogen 2.944 N/A VAL 373.A N HIS 369.A O no hydrogen 2.895 N/A CYS 374.A N LEU 370.A O no hydrogen 2.882 N/A CYS 374.A SG LEU 370.A O no hydrogen 3.104 N/A ILE 375.A N ILE 371.A O no hydrogen 2.906 N/A ALA 376.A N TRP 372.A O no hydrogen 2.884 N/A LEU 377.A N VAL 373.A O no hydrogen 2.851 N/A GLY 378.A N CYS 374.A O no hydrogen 2.896 N/A LEU 379.A N ILE 375.A O no hydrogen 2.862 N/A HIS 380.A N ALA 376.A O no hydrogen 2.931 N/A HIS 380.A ND1 ALA 376.A O no hydrogen 2.820 N/A SER 381.A N LEU 377.A O no hydrogen 2.859 N/A SER 381.A OG LEU 377.A O no hydrogen 2.494 N/A SER 381.A OG GLY 378.A O no hydrogen 3.376 N/A PHE 382.A N GLY 378.A O no hydrogen 2.912 N/A GLY 383.A N LEU 379.A O no hydrogen 2.808 N/A LEU 384.A N HIS 380.A O no hydrogen 2.933 N/A CYS 386.A N PHE 382.A O no hydrogen 2.941 N/A CYS 386.A SG PHE 382.A O no hydrogen 3.492 N/A HIS 387.A N GLY 383.A O no hydrogen 2.780 N/A HIS 387.A NE2 ASP 399.A O no hydrogen 2.633 N/A ASN 388.A N LEU 384.A O no hydrogen 2.913 N/A ASN 388.A ND2 PHE 401.A O no hydrogen 2.954 N/A ASN 388.A ND2 ILE 552.A O no hydrogen 2.817 N/A ASP 389.A N TYR 385.A O no hydrogen 2.917 N/A THR 390.A N CYS 386.A O no hydrogen 2.904 N/A THR 390.A OG1 CYS 386.A O no hydrogen 3.056 N/A THR 390.A OG1 HIS 387.A O no hydrogen 2.876 N/A LEU 391.A N HIS 387.A O no hydrogen 2.910 N/A GLU 392.A N ASN 388.A O no hydrogen 2.900 N/A ALA 393.A N ASP 389.A O no hydrogen 2.913 N/A LEU 394.A N THR 390.A O no hydrogen 2.899 N/A GLY 395.A N LEU 391.A O no hydrogen 2.924 N/A GLY 395.A N GLU 392.A O no hydrogen 3.096 N/A ARG 396.A N LEU 391.A O no hydrogen 2.926 N/A ARG 396.A NE ASP 399.A OD2 no hydrogen 2.810 N/A ARG 396.A NH2 ASP 399.A OD2 no hydrogen 2.783 N/A GLU 398.A N GLU 398.A OE1 no hydrogen 2.742 N/A ASP 399.A N ARG 396.A O no hydrogen 3.033 N/A THR 400.A N PRO 397.A O no hydrogen 3.131 N/A THR 400.A OG1 PRO 397.A O no hydrogen 2.563 N/A THR 400.A OG1 SER 405.A OG no hydrogen 3.398 N/A PHE 401.A N ASN 388.A OD1 no hydrogen 2.784 N/A CYS 402.A N ILE 406.A O no hydrogen 2.574 N/A CYS 402.A SG THR 400.A OG1 no hydrogen 3.739 N/A CYS 402.A SG SER 405.A OG no hydrogen 2.709 N/A SER 405.A OG PRO 397.A O no hydrogen 2.488 N/A SER 405.A OG THR 400.A OG1 no hydrogen 3.398 N/A LEU 408.A N THR 439.A OG1 no hydrogen 3.171 N/A ALA 413.A N PRO 410.A O no hydrogen 3.259 N/A GLY 418.A N GLN 415.A OE1 no hydrogen 2.977 N/A GLU 424.A N ARG 432.A O no hydrogen 3.006 N/A LEU 426.A N LYS 429.A O no hydrogen 2.913 N/A GLY 428.A N TYR 531.A OH no hydrogen 2.919 N/A ILE 430.A N TYR 322.A OH no hydrogen 3.190 N/A ARG 432.A N GLU 424.A O no hydrogen 3.210 N/A ARG 432.A NH1 GLY 233.A O no hydrogen 2.663 N/A ARG 432.A NH1 GLU 424.A OE2 no hydrogen 3.526 N/A ARG 432.A NH2 GLY 233.A O no hydrogen 2.527 N/A GLN 435.A NE2 GLU 311.A OE1 no hydrogen 3.276 N/A THR 439.A N ASP 403.A OD1 no hydrogen 3.136 N/A THR 439.A OG1 ASP 403.A OD1 no hydrogen 3.006 N/A PHE 442.A N GLY 438.A O no hydrogen 2.928 N/A MET 443.A N THR 439.A O no hydrogen 2.910 N/A VAL 444.A N ALA 440.A O no hydrogen 2.918 N/A HIS 445.A N ASP 441.A O no hydrogen 2.877 N/A HIS 445.A ND1 ASP 441.A O no hydrogen 2.666 N/A HIS 446.A N PHE 442.A O no hydrogen 2.997 N/A HIS 446.A ND1 PHE 442.A O no hydrogen 2.981 N/A ILE 447.A N MET 443.A O no hydrogen 2.928 N/A HIS 448.A N VAL 444.A O no hydrogen 2.900 N/A HIS 448.A NE2 HIS 518.A ND1 no hydrogen 2.831 N/A ALA 449.A N HIS 445.A O no hydrogen 2.929 N/A PHE 450.A N HIS 446.A O no hydrogen 2.901 N/A THR 451.A N ILE 447.A O no hydrogen 2.963 N/A THR 451.A OG1 ILE 447.A O no hydrogen 3.284 N/A THR 451.A OG1 HIS 448.A O no hydrogen 2.804 N/A ILE 452.A N HIS 448.A O no hydrogen 2.925 N/A HIS 453.A N ALA 449.A O no hydrogen 2.899 N/A HIS 453.A ND1 ALA 449.A O no hydrogen 3.045 N/A VAL 454.A N PHE 450.A O no hydrogen 2.950 N/A THR 455.A N THR 451.A O no hydrogen 2.992 N/A THR 455.A OG1 THR 451.A O no hydrogen 2.819 N/A LEU 456.A N ILE 452.A O no hydrogen 2.919 N/A LEU 457.A N HIS 453.A O no hydrogen 2.812 N/A ILE 458.A N VAL 454.A O no hydrogen 2.991 N/A LEU 459.A N THR 455.A O no hydrogen 3.006 N/A LEU 460.A N LEU 456.A O no hydrogen 2.831 N/A LYS 461.A N LEU 457.A O no hydrogen 2.883 N/A LYS 461.A NZ HIS 500.A NE2 no hydrogen 2.823 N/A GLY 462.A N ILE 458.A O no hydrogen 2.987 N/A VAL 463.A N LEU 459.A O no hydrogen 2.937 N/A LEU 464.A N LEU 460.A O no hydrogen 2.857 N/A TYR 465.A N LYS 461.A O no hydrogen 2.939 N/A ARG 467.A NH1 VAL 351.A O no hydrogen 2.624 N/A SER 469.A N VAL 472.A O no hydrogen 2.879 N/A SER 469.A OG VAL 472.A O no hydrogen 3.299 N/A LYS 475.A NZ TYR 465.A O no hydrogen 2.856 N/A LYS 475.A NZ ILE 495.A O no hydrogen 2.491 N/A LEU 476.A N ARG 467.A O no hydrogen 2.786 N/A LEU 478.A N ASP 474.A O no hydrogen 2.928 N/A GLY 479.A N LYS 475.A O no hydrogen 2.914 N/A CYS 484.A SG PRO 483.A O no hydrogen 2.598 N/A ASP 485.A N THR 492.A OG1 no hydrogen 2.766 N/A ARG 489.A NH1 LEU 471.A O no hydrogen 3.078 N/A GLY 491.A N GLY 488.A O no hydrogen 2.851 N/A THR 492.A N GLY 486.A O no hydrogen 2.958 N/A THR 492.A OG1 GLY 486.A O no hydrogen 2.776 N/A GLN 494.A N PRO 483.A O no hydrogen 3.219 N/A SER 496.A OG TYR 482.A O no hydrogen 2.865 N/A SER 496.A OG ASP 499.A OD2 no hydrogen 2.026 N/A ASP 499.A N SER 496.A OG no hydrogen 3.344 N/A HIS 500.A N SER 496.A O no hydrogen 2.948 N/A HIS 500.A ND1 SER 496.A O no hydrogen 2.683 N/A LEU 501.A N PRO 497.A O no hydrogen 2.930 N/A PHE 502.A N TRP 498.A O no hydrogen 2.885 N/A LEU 503.A N ASP 499.A O no hydrogen 2.974 N/A ALA 504.A N HIS 500.A O no hydrogen 2.881 N/A VAL 505.A N LEU 501.A O no hydrogen 2.859 N/A TRP 507.A N LEU 503.A O no hydrogen 3.042 N/A MET 508.A N ALA 504.A O no hydrogen 2.815 N/A TYR 509.A N VAL 505.A O no hydrogen 2.885 N/A ASN 510.A N PHE 506.A O no hydrogen 2.944 N/A CYS 511.A N TRP 507.A O no hydrogen 2.912 N/A CYS 511.A SG THR 451.A OG1 no hydrogen 3.137 N/A LEU 512.A N MET 508.A O no hydrogen 2.865 N/A SER 513.A N TYR 509.A O no hydrogen 2.863 N/A SER 513.A OG TYR 509.A O no hydrogen 2.973 N/A VAL 514.A N ASN 510.A O no hydrogen 3.016 N/A VAL 515.A N CYS 511.A O no hydrogen 2.909 N/A ILE 516.A N LEU 512.A O no hydrogen 2.842 N/A PHE 517.A N SER 513.A O no hydrogen 2.940 N/A HIS 518.A N VAL 514.A O no hydrogen 2.889 N/A HIS 518.A ND1 HIS 448.A NE2 no hydrogen 2.831 N/A TYR 519.A N VAL 515.A O no hydrogen 2.922 N/A PHE 520.A N ILE 516.A O no hydrogen 2.877 N/A TRP 521.A N PHE 517.A O no hydrogen 2.919 N/A TRP 521.A NE1 ASP 546.A OD1 no hydrogen 2.547 N/A LYS 522.A N HIS 518.A O no hydrogen 2.892 N/A LYS 522.A NZ GLN 435.A OE1 no hydrogen 3.127 N/A MET 523.A N TYR 519.A O no hydrogen 2.907 N/A GLN 524.A N PHE 520.A O no hydrogen 2.951 N/A SER 525.A N TRP 521.A O no hydrogen 2.899 N/A SER 525.A OG TRP 521.A O no hydrogen 2.645 N/A SER 525.A OG SER 543.A OG no hydrogen 3.182 N/A SER 525.A OG ASP 546.A OD1 no hydrogen 2.974 N/A ASP 526.A N LYS 522.A O no hydrogen 2.890 N/A VAL 527.A N MET 523.A O no hydrogen 3.076 N/A TRP 528.A N MET 523.A O no hydrogen 2.712 N/A SER 530.A N SER 540.A O no hydrogen 2.913 N/A VAL 532.A N THR 538.A O no hydrogen 2.909 N/A THR 538.A N VAL 532.A O no hydrogen 2.904 N/A CYS 539.A SG LEU 537.A O no hydrogen 3.928 N/A SER 540.A N SER 530.A O no hydrogen 2.874 N/A HIS 541.A ND1 TRP 528.A O no hydrogen 2.506 N/A SER 543.A N GLN 524.A O no hydrogen 3.220 N/A SER 543.A OG SER 525.A OG no hydrogen 3.182 N/A SER 543.A OG ASP 546.A OD1 no hydrogen 2.413 N/A SER 543.A OG ASP 546.A OD2 no hydrogen 2.748 N/A GLN 544.A N HIS 541.A O no hydrogen 3.111 N/A VAL 549.A N ASP 546.A O no hydrogen 3.358 N/A ASN 550.A N ASP 546.A O no hydrogen 2.894 N/A SER 551.A N PHE 547.A O no hydrogen 2.903 N/A SER 551.A OG PHE 547.A O no hydrogen 2.356 N/A THR 553.A N ASN 550.A O no hydrogen 3.299 N/A THR 553.A OG1 ASN 550.A O no hydrogen 3.419 N/A ILE 554.A N ASP 389.A OD2 no hydrogen 2.801 N/A ASN 555.A N ASP 389.A OD1 no hydrogen 3.272 N/A GLY 556.A N THR 553.A OG1 no hydrogen 2.803 N/A TRP 557.A N THR 553.A O no hydrogen 2.961 N/A TRP 557.A NE1 SER 551.A O no hydrogen 2.553 N/A LEU 558.A N ILE 554.A O no hydrogen 2.886 N/A ARG 559.A N ASN 555.A O no hydrogen 2.890 N/A ARG 559.A NE ASN 560.A OD1 no hydrogen 3.324 N/A ARG 559.A NH2 ASN 560.A OD1 no hydrogen 3.446 N/A ASN 560.A N GLY 556.A O no hydrogen 2.889 N/A LEU 561.A N TRP 557.A O no hydrogen 3.334 N/A LEU 562.A N TRP 557.A O no hydrogen 3.344 N/A TRP 563.A N LEU 558.A O no hydrogen 3.022 N/A SER 564.A N ARG 559.A O no hydrogen 2.690 N/A SER 567.A OG SER 564.A O no hydrogen 2.889 N/A GLN 568.A N GLN 568.A OE1 no hydrogen 2.564 N/A ILE 570.A N ALA 566.A O no hydrogen 2.799 N/A GLN 571.A N SER 567.A O no hydrogen 2.944 N/A SER 572.A OG VAL 569.A O no hydrogen 2.470 N/A SER 572.A OG ILE 578.A O no hydrogen 3.260 N/A CYS 579.A SG PRO 576.A O no hydrogen 3.533 N/A GLY 582.A N ILE 578.A O no hydrogen 2.948 N/A PHE 583.A N CYS 579.A O no hydrogen 2.942 N/A ILE 584.A N SER 580.A O no hydrogen 2.867 N/A PHE 585.A N TYR 581.A O no hydrogen 2.865 N/A LEU 586.A N GLY 582.A O no hydrogen 3.021 N/A ALA 587.A N PHE 583.A O no hydrogen 2.873 N/A ALA 588.A N ILE 584.A O no hydrogen 2.803 N/A HIS 589.A N PHE 585.A O no hydrogen 3.000 N/A HIS 589.A ND1 PHE 585.A O no hydrogen 3.013 N/A PHE 590.A N LEU 586.A O no hydrogen 2.982 N/A VAL 591.A N ALA 587.A O no hydrogen 2.880 N/A TRP 592.A N ALA 588.A O no hydrogen 2.899 N/A ALA 593.A N HIS 589.A O no hydrogen 2.985 N/A PHE 594.A N PHE 590.A O no hydrogen 2.862 N/A SER 595.A N VAL 591.A O no hydrogen 2.955 N/A SER 595.A N TRP 592.A O no hydrogen 3.245 N/A SER 595.A OG TRP 592.A O no hydrogen 2.750 N/A LEU 596.A N ALA 593.A O no hydrogen 3.090 N/A MET 597.A N PHE 594.A O no hydrogen 3.238 N/A LEU 599.A N SER 595.A O no hydrogen 2.986 N/A PHE 600.A N LEU 596.A O no hydrogen 2.870 N/A SER 601.A N MET 597.A O no hydrogen 2.957 N/A SER 601.A OG MET 597.A O no hydrogen 2.170 N/A ARG 603.A NH2 GLN 607.A OE1 no hydrogen 2.965 N/A TRP 606.A NE1 SER 601.A OG no hydrogen 3.299 N/A GLN 607.A N ARG 603.A O no hydrogen 2.940 N/A GLN 607.A NE2 GLN 607.A O no hydrogen 3.156 N/A GLU 608.A N ALA 604.A O no hydrogen 2.922 N/A LEU 609.A N TYR 605.A O no hydrogen 2.913 N/A ILE 610.A N TRP 606.A O no hydrogen 2.845 N/A GLU 611.A N GLN 607.A O no hydrogen 2.941 N/A SER 612.A N GLU 608.A O no hydrogen 2.952 N/A ILE 613.A N LEU 609.A O no hydrogen 2.900 N/A LEU 614.A N ILE 610.A O no hydrogen 2.832 N/A TRP 615.A N GLU 611.A O no hydrogen 2.983 N/A SER 616.A N ILE 613.A O no hydrogen 3.031 N/A SER 616.A OG ILE 613.A O no hydrogen 2.417 N/A HIS 617.A ND1 ILE 613.A O no hydrogen 3.045 N/A HIS 618.A N LEU 614.A O no hydrogen 2.930 N/A LYS 619.A N TRP 615.A O no hydrogen 2.868 N/A LEU 620.A N SER 616.A O no hydrogen 2.946 N/A LYS 621.A N HIS 618.A O no hydrogen 3.060 N/A ILE 622.A N HIS 617.A O no hydrogen 2.598 N/A GLN 627.A N LYS 26.A O no hydrogen 3.292 N/A ARG 629.A N THR 28.A OG1 no hydrogen 3.209 N/A ARG 629.A NH1 PRO 628.A O no hydrogen 3.341 N/A ALA 630.A N GLN 607.A OE1 no hydrogen 2.881 N/A GLN 635.A N SER 632.A OG no hydrogen 3.212 N/A GLY 636.A N SER 632.A O no hydrogen 2.865 N/A ARG 637.A N ILE 633.A O no hydrogen 2.984 N/A ARG 637.A NH1 PRO 483.A O no hydrogen 3.215 N/A ALA 638.A N SER 634.A O no hydrogen 2.886 N/A VAL 639.A N GLN 635.A O no hydrogen 2.851 N/A GLY 640.A N GLY 636.A O no hydrogen 2.947 N/A LEU 641.A N ARG 637.A O no hydrogen 2.900 N/A THR 642.A N ALA 638.A O no hydrogen 2.896 N/A THR 642.A OG1 ALA 638.A O no hydrogen 2.807 N/A HIS 643.A N VAL 639.A O no hydrogen 2.954 N/A HIS 643.A ND1 VAL 639.A O no hydrogen 2.865 N/A TYR 644.A N GLY 640.A O no hydrogen 2.882 N/A VAL 645.A N LEU 641.A O no hydrogen 2.942 N/A LEU 646.A N THR 642.A O no hydrogen 2.900 N/A GLY 647.A N HIS 643.A O no hydrogen 2.875 N/A GLY 648.A N TYR 644.A O no hydrogen 3.002 N/A ILE 649.A N VAL 645.A O no hydrogen 2.889 N/A GLY 650.A N LEU 646.A O no hydrogen 2.858 N/A CYS 651.A N GLY 647.A O no hydrogen 2.949 N/A CYS 651.A SG PHE 585.A O no hydrogen 3.975 N/A CYS 651.A SG HIS 589.A ND1 no hydrogen 3.127 N/A CYS 651.A SG GLY 647.A O no hydrogen 3.024 N/A THR 652.A N GLY 648.A O no hydrogen 3.004 N/A THR 652.A OG1 GLY 648.A O no hydrogen 3.542 N/A TRP 653.A N ILE 649.A O no hydrogen 2.815 N/A ALA 654.A N GLY 650.A O no hydrogen 2.922 N/A PHE 655.A N CYS 651.A O no hydrogen 2.939 N/A ILE 656.A N THR 652.A O no hydrogen 2.942 N/A ILE 657.A N TRP 653.A O no hydrogen 2.969 N/A SER 658.A N ALA 654.A O no hydrogen 2.884 N/A SER 658.A OG ALA 654.A O no hydrogen 3.245 N/A ARG 659.A N PHE 655.A O no hydrogen 3.013 N/A ARG 659.A NH1 GLN 568.A OE1 no hydrogen 3.376 N/A MET 660.A N ILE 656.A O no hydrogen 2.940 N/A LEU 661.A N ILE 657.A O no hydrogen 2.878 N/A VAL 662.A N SER 658.A O no hydrogen 2.974 N/A LEU 663.A N ARG 659.A O no hydrogen 2.925 N/A THR 664.A N MET 660.A O no hydrogen 2.922 N/A THR 664.A OG1 MET 660.A O no hydrogen 2.864 N/A THR 664.A OG1 LEU 661.A O no hydrogen 3.292 N/A THR 665.A N LEU 661.A O no hydrogen 2.917 N/A THR 665.A N VAL 662.A O no hydrogen 3.126 N/A