Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ARG 313.A O no hydrogen 3.089 N/A GLY 3.A N HIS 1.A ND1 no hydrogen 2.993 N/A THR 5.A N ALA 311.A O no hydrogen 2.884 N/A THR 5.A OG1 GLU 6.A O no hydrogen 3.537 N/A GLU 6.A N THR 5.A OG1 no hydrogen 2.521 N/A VAL 7.A N ALA 309.A O no hydrogen 2.929 N/A PHE 8.A N TYR 580.A O no hydrogen 2.847 N/A LEU 9.A N VAL 307.A O no hydrogen 3.263 N/A ASN 10.A ND2 VAL 165.A O no hydrogen 3.101 N/A PHE 12.A N LEU 163.A O no hydrogen 2.885 N/A ALA 13.A N GLU 305.A O no hydrogen 2.961 N/A LEU 14.A N PHE 161.A O no hydrogen 2.741 N/A ARG 15.A N LEU 301.A O no hydrogen 2.770 N/A ARG 15.A NE GLY 300.A O no hydrogen 3.381 N/A ARG 15.A NH1 PRO 16.A O no hydrogen 3.159 N/A ARG 15.A NH1 GLU 21.A OE1 no hydrogen 3.300 N/A ARG 15.A NH1 GLU 21.A OE2 no hydrogen 2.689 N/A ARG 15.A NH2 GLU 21.A OE1 no hydrogen 2.538 N/A LEU 17.A N GLY 159.A O no hydrogen 2.931 N/A ASN 18.A N GLU 21.A OE2 no hydrogen 2.644 N/A GLU 21.A N ASN 18.A OD1 no hydrogen 2.731 N/A LEU 22.A N ASN 18.A O no hydrogen 3.268 N/A ARG 23.A N GLU 20.A O no hydrogen 3.062 N/A TRP 25.A N SER 64.A O no hydrogen 2.896 N/A ARG 26.A N GLY 92.A O no hydrogen 2.774 N/A LEU 27.A N LEU 62.A O no hydrogen 2.897 N/A GLU 28.A N TYR 89.A O no hydrogen 2.874 N/A VAL 30.A N ARG 87.A O no hydrogen 2.925 N/A ASP 32.A N ALA 85.A O no hydrogen 2.888 N/A GLU 39.A N GLY 36.A O no hydrogen 3.053 N/A LEU 43.A N GLU 39.A O no hydrogen 2.934 N/A LEU 44.A N VAL 40.A O no hydrogen 2.895 N/A ALA 45.A N TYR 41.A O no hydrogen 2.921 N/A GLN 46.A N PRO 42.A O no hydrogen 2.929 N/A GLN 46.A NE2 ALA 78.A O no hydrogen 2.954 N/A VAL 47.A N LEU 43.A O no hydrogen 2.872 N/A ALA 48.A N LEU 44.A O no hydrogen 2.935 N/A ARG 49.A N ALA 45.A O no hydrogen 2.984 N/A ARG 50.A N GLN 46.A O no hydrogen 2.874 N/A ARG 50.A NH1 ARG 50.A O no hydrogen 3.551 N/A ARG 50.A NH2 THR 76.A O no hydrogen 2.980 N/A ALA 51.A N VAL 47.A O no hydrogen 2.905 N/A GLY 52.A N ARG 49.A O no hydrogen 3.341 N/A THR 55.A OG1 ALA 48.A O no hydrogen 2.947 N/A VAL 56.A N ALA 63.A O no hydrogen 2.897 N/A ARG 57.A NH1 GLY 59.A O no hydrogen 2.664 N/A MET 58.A N GLY 61.A O no hydrogen 2.899 N/A GLY 61.A N MET 58.A O no hydrogen 2.904 N/A LEU 62.A N LEU 27.A O no hydrogen 2.885 N/A ALA 63.A N VAL 56.A O no hydrogen 2.915 N/A SER 64.A N TRP 25.A O no hydrogen 2.895 N/A SER 64.A OG VAL 54.A O no hydrogen 3.412 N/A SER 64.A OG SER 66.A O no hydrogen 2.849 N/A TRP 65.A N VAL 54.A O no hydrogen 2.955 N/A TRP 65.A NE1 GLU 21.A O no hydrogen 2.778 N/A SER 66.A N SER 64.A OG no hydrogen 2.956 N/A GLU 69.A N GLU 69.A OE2 no hydrogen 2.652 N/A VAL 70.A N PRO 67.A O no hydrogen 3.121 N/A LEU 71.A N PRO 68.A O no hydrogen 3.006 N/A VAL 72.A N ALA 51.A O no hydrogen 2.690 N/A GLY 75.A N TYR 86.A O no hydrogen 2.968 N/A LEU 77.A N TYR 84.A O no hydrogen 2.837 N/A ARG 79.A N GLN 82.A O no hydrogen 2.913 N/A GLN 82.A N ARG 79.A O no hydrogen 2.923 N/A GLN 82.A NE2 TYR 84.A OH no hydrogen 3.130 N/A TYR 84.A N LEU 77.A O no hydrogen 2.894 N/A ALA 85.A N ASP 32.A O no hydrogen 2.871 N/A TYR 86.A N GLY 75.A O no hydrogen 2.863 N/A TYR 86.A OH VAL 72.A O no hydrogen 2.499 N/A ARG 87.A N VAL 30.A O no hydrogen 2.947 N/A LEU 88.A N LEU 73.A O no hydrogen 2.778 N/A TYR 89.A N GLU 28.A O no hydrogen 2.891 N/A LYS 91.A N ARG 26.A O no hydrogen 2.720 N/A LYS 91.A NZ GLU 28.A OE1 no hydrogen 2.840 N/A ARG 93.A NE ARG 23.A O no hydrogen 2.870 N/A ARG 93.A NH1 GLU 20.A O no hydrogen 3.334 N/A ARG 93.A NH1 GLU 20.A OE1 no hydrogen 2.519 N/A ARG 93.A NH1 ARG 23.A O no hydrogen 2.976 N/A ARG 94.A N PRO 24.A O no hydrogen 2.959 N/A LEU 96.A N LEU 22.A O no hydrogen 2.807 N/A ASP 97.A N GLU 103.A OE1 no hydrogen 2.411 N/A LYS 99.A N ASP 97.A OD2 no hydrogen 3.109 N/A LYS 99.A NZ ASP 157.A O no hydrogen 3.559 N/A ASP 100.A N ASP 97.A O no hydrogen 2.846 N/A ARG 104.A N ASP 100.A O no hydrogen 3.070 N/A ARG 104.A NE PRO 98.A O no hydrogen 2.592 N/A ARG 104.A NH2 PRO 98.A O no hydrogen 2.956 N/A SER 105.A N PRO 101.A O no hydrogen 2.907 N/A VAL 106.A N GLY 102.A O no hydrogen 2.985 N/A LEU 107.A N GLU 103.A O no hydrogen 2.927 N/A SER 108.A N ARG 104.A O no hydrogen 2.866 N/A SER 108.A OG ARG 104.A O no hydrogen 2.991 N/A ALA 109.A N SER 105.A O no hydrogen 2.960 N/A LEU 110.A N VAL 106.A O no hydrogen 2.944 N/A ALA 111.A N LEU 107.A O no hydrogen 2.874 N/A ARG 112.A N SER 108.A O no hydrogen 2.904 N/A ARG 113.A N ALA 109.A O no hydrogen 2.965 N/A ARG 113.A NH1 ALA 48.A O no hydrogen 3.486 N/A LEU 114.A N LEU 110.A O no hydrogen 2.855 N/A LEU 115.A N ALA 111.A O no hydrogen 2.914 N/A GLN 116.A N ARG 112.A O no hydrogen 2.958 N/A GLU 117.A N ARG 113.A O no hydrogen 2.884 N/A ARG 118.A N LEU 114.A O no hydrogen 2.926 N/A ARG 118.A NH1 LEU 299.A O no hydrogen 2.508 N/A LEU 119.A N LEU 115.A O no hydrogen 2.924 N/A ARG 120.A N GLN 116.A O no hydrogen 2.937 N/A ARG 121.A N ARG 118.A O no hydrogen 3.328 N/A LEU 122.A N LEU 119.A O no hydrogen 3.109 N/A TRP 126.A N TYR 133.A O no hydrogen 3.080 N/A GLU 128.A N ALA 131.A O no hydrogen 2.880 N/A ALA 131.A N GLU 128.A O no hydrogen 2.922 N/A VAL 132.A N ALA 149.A O no hydrogen 2.929 N/A TYR 133.A N TRP 126.A O no hydrogen 2.856 N/A ARG 134.A N GLY 147.A O no hydrogen 2.928 N/A ARG 134.A NH2 ILE 291.A O no hydrogen 3.319 N/A HIS 137.A N VAL 145.A O no hydrogen 2.881 N/A ALA 138.A N VAL 145.A O no hydrogen 3.213 N/A TRP 143.A N GLY 140.A O no hydrogen 3.215 N/A TRP 143.A NE1 GLU 271.A OE1 no hydrogen 3.110 N/A ARG 144.A N LEU 172.A O no hydrogen 2.931 N/A VAL 145.A N ALA 138.A O no hydrogen 2.608 N/A LEU 146.A N ARG 170.A O no hydrogen 2.861 N/A GLY 147.A N ARG 135.A O no hydrogen 3.073 N/A GLY 148.A N ALA 168.A O no hydrogen 2.873 N/A ALA 149.A N VAL 132.A O no hydrogen 2.887 N/A VAL 150.A N ASP 166.A O no hydrogen 2.873 N/A LEU 151.A N LEU 130.A O no hydrogen 2.964 N/A ASP 152.A N GLU 164.A O no hydrogen 2.935 N/A LEU 153.A N ASP 152.A OD2 no hydrogen 2.775 N/A TRP 154.A N LEU 162.A O no hydrogen 2.944 N/A VAL 155.A N SER 108.A OG no hydrogen 2.825 N/A SER 156.A N ALA 160.A O no hydrogen 2.879 N/A SER 156.A OG SER 158.A OG no hydrogen 2.806 N/A SER 156.A OG ALA 160.A O no hydrogen 3.436 N/A SER 158.A N SER 156.A OG no hydrogen 3.330 N/A SER 158.A OG SER 156.A OG no hydrogen 2.806 N/A GLY 159.A N SER 156.A O no hydrogen 3.059 N/A ALA 160.A N SER 156.A OG no hydrogen 3.089 N/A PHE 161.A N ARG 15.A O no hydrogen 3.170 N/A LEU 162.A N TRP 154.A O no hydrogen 2.868 N/A LEU 163.A N PHE 12.A O no hydrogen 2.896 N/A GLU 164.A N ASP 152.A O no hydrogen 2.869 N/A VAL 165.A N ASN 10.A O no hydrogen 3.148 N/A ASP 166.A N VAL 150.A O no hydrogen 2.975 N/A ALA 168.A N GLY 148.A O no hydrogen 2.873 N/A ARG 170.A N LEU 146.A O no hydrogen 2.933 N/A ARG 170.A NH1 GLU 128.A OE2 no hydrogen 2.691 N/A LEU 172.A N ARG 144.A O no hydrogen 2.898 N/A CYS 173.A SG GLY 142.A O no hydrogen 3.682 N/A CYS 173.A SG MET 175.A O no hydrogen 3.205 N/A GLU 174.A N GLY 142.A O no hydrogen 2.840 N/A LEU 177.A N LEU 259.A O no hydrogen 2.775 N/A GLU 178.A N THR 256.A O no hydrogen 3.092 N/A TRP 180.A N SER 176.A O no hydrogen 2.730 N/A LEU 181.A N LEU 177.A O no hydrogen 2.933 N/A ALA 182.A N GLU 178.A O no hydrogen 3.139 N/A ALA 182.A N ALA 179.A O no hydrogen 3.192 N/A GLN 183.A N TRP 180.A O no hydrogen 3.264 N/A GLY 184.A N LEU 181.A O no hydrogen 3.345 N/A VAL 191.A N TRP 200.A O no hydrogen 3.032 N/A ARG 192.A N VAL 260.A O no hydrogen 2.904 N/A ASN 193.A N ARG 198.A O no hydrogen 3.011 N/A ASN 193.A ND2 ASP 196.A OD1 no hydrogen 2.824 N/A ALA 194.A N LEU 258.A O no hydrogen 3.163 N/A TYR 195.A OH HIS 254.A NE2 no hydrogen 3.313 N/A ARG 198.A N ASP 196.A OD1 no hydrogen 3.349 N/A ARG 198.A NH1 ASP 196.A OD2 no hydrogen 2.843 N/A TRP 200.A N VAL 191.A O no hydrogen 2.541 N/A TRP 200.A NE1 ASN 193.A OD1 no hydrogen 2.642 N/A GLU 201.A N ALA 243.A O no hydrogen 2.954 N/A LEU 203.A N TRP 241.A O no hydrogen 2.959 N/A LYS 211.A N ASP 209.A OD2 no hydrogen 2.895 N/A GLU 212.A N ASP 209.A O no hydrogen 3.020 N/A LEU 213.A N SER 220.A OG no hydrogen 3.329 N/A LEU 215.A N LEU 219.A O no hydrogen 3.227 N/A GLY 218.A N LEU 215.A O no hydrogen 2.869 N/A SER 220.A OG PRO 210.A O no hydrogen 2.278 N/A SER 220.A OG LEU 213.A O no hydrogen 3.484 N/A LEU 222.A N PRO 210.A O no hydrogen 3.006 N/A ASP 223.A N ASP 223.A OD1 no hydrogen 2.462 N/A TYR 224.A N SER 220.A O no hydrogen 2.901 N/A HIS 225.A N LEU 221.A O no hydrogen 2.984 N/A ALA 226.A N LEU 222.A O no hydrogen 2.877 N/A SER 227.A N ASP 223.A O no hydrogen 2.904 N/A LYS 228.A N TYR 224.A O no hydrogen 3.469 N/A GLY 229.A N ALA 226.A O no hydrogen 2.919 N/A ARG 230.A N HIS 225.A O no hydrogen 3.153 N/A ARG 230.A NH1 HIS 225.A ND1 no hydrogen 3.013 N/A ARG 238.A NE GLU 178.A OE1 no hydrogen 2.992 N/A ARG 238.A NH2 GLU 178.A OE1 no hydrogen 2.384 N/A ALA 240.A N HIS 254.A O no hydrogen 2.684 N/A TRP 241.A NE1 GLU 208.A OE2 no hydrogen 3.128 N/A VAL 242.A N ILE 252.A O no hydrogen 2.918 N/A ALA 243.A N GLU 201.A O no hydrogen 2.869 N/A ASP 247.A N ASP 244.A O no hydrogen 3.206 N/A ILE 252.A N VAL 242.A O no hydrogen 2.898 N/A HIS 254.A NE2 ASN 193.A OD1 no hydrogen 2.887 N/A LEU 255.A N HIS 254.A ND1 no hydrogen 2.812 N/A THR 256.A N ARG 238.A O no hydrogen 3.147 N/A THR 256.A OG1 ARG 238.A O no hydrogen 3.438 N/A LEU 258.A N LEU 255.A O no hydrogen 2.780 N/A VAL 260.A N ARG 192.A O no hydrogen 2.861 N/A VAL 262.A N ARG 190.A O no hydrogen 3.267 N/A THR 264.A N ASP 267.A OD2 no hydrogen 2.971 N/A THR 264.A OG1 ASP 267.A OD2 no hydrogen 3.288 N/A ASP 267.A N THR 264.A O no hydrogen 2.834 N/A GLU 272.A N LEU 268.A O no hydrogen 3.250 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.687 N/A ARG 284.A N PRO 280.A O no hydrogen 3.017 N/A ARG 284.A NE THR 611.A OG1 no hydrogen 3.188 N/A ARG 284.A NH1 ASP 166.A OD1 no hydrogen 3.061 N/A ARG 284.A NH1 PRO 167.A O no hydrogen 2.820 N/A ARG 285.A N TRP 281.A O no hydrogen 2.889 N/A ARG 286.A N GLU 282.A O no hydrogen 2.953 N/A ARG 286.A NH1 GLU 290.A OE2 no hydrogen 3.106 N/A ARG 287.A N GLU 283.A O no hydrogen 2.897 N/A THR 288.A N ARG 284.A O no hydrogen 2.873 N/A THR 288.A OG1 ARG 284.A O no hydrogen 2.505 N/A ARG 289.A N ARG 285.A O no hydrogen 2.942 N/A GLU 290.A N ARG 286.A O no hydrogen 2.926 N/A ILE 291.A N ARG 287.A O no hydrogen 2.902 N/A ALA 292.A N THR 288.A O no hydrogen 2.906 N/A SER 293.A N ARG 289.A O no hydrogen 2.927 N/A SER 293.A OG ARG 289.A O no hydrogen 3.467 N/A SER 293.A OG GLU 290.A O no hydrogen 2.442 N/A TRP 294.A N GLU 290.A O no hydrogen 2.947 N/A ILE 295.A N ILE 291.A O no hydrogen 2.891 N/A GLY 296.A N ALA 292.A O no hydrogen 2.941 N/A ARG 297.A N SER 293.A O no hydrogen 2.920 N/A ARG 297.A N TRP 294.A O no hydrogen 3.182 N/A ARG 298.A N TRP 294.A O no hydrogen 2.899 N/A LEU 299.A N ILE 295.A O no hydrogen 3.093 N/A LEU 301.A N GLY 296.A O no hydrogen 2.979 N/A GLY 302.A N GLY 296.A O no hydrogen 3.263 N/A THR 303.A OG1 GLU 305.A OE1 no hydrogen 3.453 N/A GLU 305.A N ALA 13.A O no hydrogen 3.106 N/A VAL 307.A N ARG 11.A O no hydrogen 3.200 N/A ALA 309.A N VAL 7.A O no hydrogen 2.880 N/A ALA 311.A N THR 5.A O no hydrogen 2.906 N/A TYR 312.A N TYR 591.A O no hydrogen 2.825 N/A ARG 313.A N GLY 3.A O no hydrogen 2.760 N/A LEU 314.A N GLY 589.A O no hydrogen 2.856 N/A SER 315.A OG HIS 631.A NE2 no hydrogen 2.765 N/A SER 315.A OG HIS 635.A NE2 no hydrogen 3.170 N/A MET 320.A N ALA 462.A O no hydrogen 2.765 N/A GLY 321.A N ARG 323.A O no hydrogen 2.633 N/A ARG 322.A N GLY 335.A O no hydrogen 2.831 N/A VAL 325.A N LEU 319.A O no hydrogen 2.937 N/A SER 326.A OG ASP 330.A OD2 no hydrogen 3.239 N/A LYS 327.A NZ ASP 330.A OD1 no hydrogen 2.497 N/A LYS 327.A NZ ASP 330.A OD2 no hydrogen 3.068 N/A ALA 329.A N GLY 644.A O no hydrogen 3.345 N/A ASP 330.A N LYS 327.A O no hydrogen 3.023 N/A ALA 331.A N PRO 328.A O no hydrogen 3.118 N/A LEU 332.A N ALA 329.A O no hydrogen 2.990 N/A ARG 333.A N ASP 330.A O no hydrogen 3.146 N/A ARG 333.A NE ASP 330.A OD1 no hydrogen 3.288 N/A ARG 333.A NH1 GLU 446.A OE2 no hydrogen 2.805 N/A ARG 333.A NH2 GLU 446.A OE1 no hydrogen 3.401 N/A VAL 334.A N ASP 330.A O no hydrogen 2.914 N/A GLY 335.A N ALA 331.A O no hydrogen 2.795 N/A PHE 336.A N SER 370.A OG no hydrogen 2.759 N/A TYR 337.A N VAL 460.A O no hydrogen 3.183 N/A TYR 337.A OH ASP 495.A OD2 no hydrogen 2.608 N/A ARG 338.A N GLN 459.A O no hydrogen 3.272 N/A ARG 338.A NH1 GLY 497.A O no hydrogen 2.348 N/A ARG 338.A NH2 GLY 497.A O no hydrogen 2.900 N/A THR 342.A N SER 373.A O no hydrogen 3.054 N/A LEU 344.A N ARG 375.A O no hydrogen 2.918 N/A ALA 345.A N ALA 403.A O no hydrogen 2.953 N/A LEU 346.A N HIS 377.A O no hydrogen 2.929 N/A LEU 347.A N LEU 405.A O no hydrogen 2.858 N/A ARG 348.A NE GLN 353.A O no hydrogen 2.757 N/A ARG 348.A NE GLY 354.A O no hydrogen 3.148 N/A ARG 348.A NH1 GLY 354.A O no hydrogen 3.232 N/A ARG 348.A NH2 ASP 350.A OD1 no hydrogen 3.512 N/A LEU 349.A N LEU 407.A O no hydrogen 2.874 N/A ASP 350.A N ASP 350.A OD1 no hydrogen 2.559 N/A ALA 352.A N ASP 350.A OD1 no hydrogen 3.412 N/A TRP 355.A NE1 HIS 377.A O no hydrogen 3.064 N/A ARG 360.A N PRO 356.A O no hydrogen 3.122 N/A ARG 361.A N GLU 357.A O no hydrogen 2.895 N/A ALA 362.A N PHE 358.A O no hydrogen 2.907 N/A LEU 363.A N LEU 359.A O no hydrogen 2.936 N/A LEU 364.A N ARG 360.A O no hydrogen 2.922 N/A ARG 365.A N ARG 361.A O no hydrogen 2.884 N/A ALA 366.A N ALA 362.A O no hydrogen 2.894 N/A PHE 367.A N LEU 363.A O no hydrogen 2.929 N/A GLY 368.A N LEU 364.A O no hydrogen 2.856 N/A ALA 369.A N ARG 365.A O no hydrogen 2.913 N/A SER 370.A N ALA 366.A O no hydrogen 2.954 N/A SER 370.A OG ALA 366.A O no hydrogen 2.716 N/A GLY 371.A N GLY 368.A O no hydrogen 3.082 N/A ALA 372.A N PHE 367.A O no hydrogen 2.968 N/A ARG 375.A N THR 342.A O no hydrogen 2.924 N/A ARG 375.A NE HIS 377.A NE2 no hydrogen 3.266 N/A ARG 375.A NH1 HIS 377.A NE2 no hydrogen 3.002 N/A ARG 375.A NH1 GLU 399.A O no hydrogen 2.394 N/A HIS 377.A N LEU 344.A O no hydrogen 2.849 N/A LEU 379.A N LEU 346.A O no hydrogen 2.771 N/A HIS 382.A N GLN 385.A OE1 no hydrogen 2.770 N/A HIS 382.A ND1 SER 384.A OG no hydrogen 2.730 N/A SER 384.A N HIS 382.A ND1 no hydrogen 3.279 N/A SER 384.A OG HIS 382.A ND1 no hydrogen 2.730 N/A GLN 385.A N HIS 382.A O no hydrogen 3.024 N/A GLY 386.A N PRO 383.A O no hydrogen 3.250 N/A PHE 389.A N GLY 386.A O no hydrogen 2.968 N/A ARG 390.A NH2 GLU 426.A OE2 no hydrogen 2.476 N/A GLU 391.A N LEU 387.A O no hydrogen 2.982 N/A ALA 392.A N ALA 388.A O no hydrogen 2.957 N/A LEU 393.A N PHE 389.A O no hydrogen 2.928 N/A ARG 394.A N ARG 390.A O no hydrogen 2.915 N/A ARG 394.A NH1 GLU 398.A OE2 no hydrogen 2.732 N/A ARG 394.A NH2 GLU 391.A OE2 no hydrogen 2.358 N/A LYS 395.A N GLU 391.A O no hydrogen 2.961 N/A LYS 395.A NZ GLU 391.A OE2 no hydrogen 3.157 N/A ALA 396.A N ALA 392.A O no hydrogen 2.914 N/A LYS 397.A N LEU 393.A O no hydrogen 2.896 N/A GLU 398.A N ARG 394.A O no hydrogen 2.923 N/A GLU 399.A N LYS 395.A O no hydrogen 3.092 N/A GLU 399.A N ALA 396.A O no hydrogen 3.077 N/A GLY 400.A N LYS 397.A O no hydrogen 3.088 N/A VAL 401.A N ALA 396.A O no hydrogen 3.227 N/A GLN 402.A N ALA 343.A O no hydrogen 2.873 N/A GLN 402.A NE2 GLN 340.A OE1 no hydrogen 3.101 N/A VAL 404.A N PRO 429.A O no hydrogen 2.963 N/A LEU 405.A N ALA 345.A O no hydrogen 2.896 N/A VAL 406.A N GLN 431.A O no hydrogen 2.826 N/A LEU 407.A N LEU 347.A O no hydrogen 2.898 N/A THR 408.A N LEU 433.A O no hydrogen 3.013 N/A THR 408.A OG1 PRO 409.A O no hydrogen 2.700 N/A ARG 416.A N ALA 412.A O no hydrogen 2.934 N/A ARG 416.A NH1 ASN 417.A OD1 no hydrogen 2.555 N/A ARG 416.A NH1 GLU 663.A OE1 no hydrogen 3.030 N/A ARG 416.A NH2 GLU 663.A OE1 no hydrogen 3.266 N/A ARG 416.A NH2 GLU 663.A OE2 no hydrogen 3.380 N/A ASN 417.A N TRP 413.A O no hydrogen 2.881 N/A ARG 418.A N GLU 414.A O no hydrogen 2.890 N/A LEU 419.A N ASP 415.A O no hydrogen 2.928 N/A LYS 420.A N ARG 416.A O no hydrogen 2.939 N/A LYS 420.A NZ SER 430.A O no hydrogen 2.802 N/A LYS 420.A NZ SER 430.A OG no hydrogen 3.018 N/A ALA 421.A N ASN 417.A O no hydrogen 2.909 N/A LEU 422.A N ARG 418.A O no hydrogen 2.925 N/A LEU 423.A N LEU 419.A O no hydrogen 2.938 N/A LEU 424.A N LYS 420.A O no hydrogen 2.889 N/A ARG 425.A N ALA 421.A O no hydrogen 2.926 N/A ARG 425.A NH1 HIS 671.A ND1 no hydrogen 3.085 N/A GLU 426.A N LEU 423.A O no hydrogen 3.107 N/A GLY 427.A N LEU 424.A O no hydrogen 2.673 N/A LEU 428.A N LEU 423.A O no hydrogen 2.888 N/A GLN 431.A N VAL 404.A O no hydrogen 2.946 N/A GLN 431.A NE2 ILE 432.A O no hydrogen 3.294 N/A LEU 433.A N VAL 406.A O no hydrogen 2.903 N/A ARG 438.A N GLU 441.A OE2 no hydrogen 2.630 N/A GLU 441.A N ARG 438.A O no hydrogen 2.987 N/A ARG 442.A NE GLU 446.A OE2 no hydrogen 3.165 N/A ARG 442.A NH2 GLU 446.A OE2 no hydrogen 2.683 N/A ARG 444.A NH2 PRO 436.A O no hydrogen 3.356 N/A TRP 445.A N GLU 441.A O no hydrogen 3.318 N/A TRP 445.A NE1 GLU 439.A O no hydrogen 3.201 N/A GLU 446.A N ARG 442.A O no hydrogen 2.886 N/A ASN 447.A N HIS 443.A O no hydrogen 2.959 N/A ALA 448.A N ARG 444.A O no hydrogen 2.904 N/A LEU 449.A N TRP 445.A O no hydrogen 2.891 N/A LEU 450.A N GLU 446.A O no hydrogen 2.875 N/A GLY 451.A N ASN 447.A O no hydrogen 2.899 N/A LEU 452.A N ALA 448.A O no hydrogen 2.880 N/A LEU 453.A N LEU 449.A O no hydrogen 2.905 N/A ALA 454.A N LEU 450.A O no hydrogen 2.887 N/A LYS 455.A N GLY 451.A O no hydrogen 2.887 N/A LYS 455.A NZ SER 430.A O no hydrogen 2.708 N/A LYS 455.A NZ GLN 431.A OE1 no hydrogen 2.893 N/A LYS 455.A NZ VAL 683.A OXT no hydrogen 3.061 N/A ALA 456.A N LEU 453.A O no hydrogen 3.079 N/A GLY 457.A N ALA 454.A O no hydrogen 3.355 N/A LEU 458.A N LEU 453.A O no hydrogen 3.185 N/A ALA 462.A N MET 320.A O no hydrogen 2.805 N/A LEU 463.A N ASP 495.A O no hydrogen 2.657 N/A SER 464.A N LYS 318.A O no hydrogen 2.925 N/A TYR 467.A OH HIS 635.A ND1 no hydrogen 2.542 N/A ALA 469.A N GLN 632.A OE1 no hydrogen 3.163 N/A GLU 470.A N ARG 538.A O no hydrogen 2.984 N/A ALA 472.A N ALA 491.A O no hydrogen 2.942 N/A VAL 473.A N LEU 540.A O no hydrogen 2.928 N/A GLY 474.A N ALA 489.A O no hydrogen 2.886 N/A PHE 475.A N LEU 542.A O no hydrogen 2.870 N/A ASP 476.A N GLY 487.A O no hydrogen 2.940 N/A ALA 477.A N ASP 476.A OD2 no hydrogen 2.663 N/A GLY 478.A N PHE 485.A O no hydrogen 2.936 N/A ARG 484.A N GLN 507.A O no hydrogen 2.881 N/A PHE 485.A N GLY 478.A O no hydrogen 2.876 N/A GLY 486.A N GLU 505.A O no hydrogen 2.874 N/A GLY 487.A N ASP 476.A O no hydrogen 2.884 N/A ALA 489.A N GLY 474.A O no hydrogen 2.962 N/A CYS 490.A N LEU 500.A O no hydrogen 2.910 N/A CYS 490.A SG LEU 500.A O no hydrogen 4.046 N/A ALA 491.A N ALA 472.A O no hydrogen 2.843 N/A VAL 492.A N HIS 498.A O no hydrogen 2.753 N/A GLY 496.A N GLY 493.A O no hydrogen 2.843 N/A GLY 497.A N ASP 495.A OD1 no hydrogen 2.959 N/A HIS 498.A N VAL 492.A O no hydrogen 3.275 N/A LEU 500.A N CYS 490.A O no hydrogen 2.930 N/A TRP 501.A N ARG 677.A O no hydrogen 3.124 N/A TRP 501.A NE1 LYS 679.A O no hydrogen 2.874 N/A THR 502.A N ALA 488.A O no hydrogen 3.222 N/A THR 502.A OG1 ALA 488.A O no hydrogen 2.879 N/A GLU 505.A N GLY 486.A O no hydrogen 2.979 N/A ALA 506.A N GLU 505.A OE2 no hydrogen 3.169 N/A GLN 507.A N ARG 484.A O no hydrogen 2.864 N/A GLN 507.A NE2 GLY 509.A O no hydrogen 2.782 N/A GLN 507.A NE2 GLU 510.A O no hydrogen 3.233 N/A ARG 511.A NH1 GLN 549.A O no hydrogen 2.904 N/A ARG 511.A NH2 GLN 549.A O no hydrogen 2.889 N/A ILE 512.A N GLU 551.A OE1 no hydrogen 2.719 N/A VAL 517.A N PRO 513.A O no hydrogen 2.948 N/A TRP 518.A N GLN 514.A O no hydrogen 2.963 N/A ASP 519.A N GLU 515.A O no hydrogen 2.884 N/A LEU 520.A N VAL 516.A O no hydrogen 2.946 N/A LEU 521.A N VAL 517.A O no hydrogen 2.982 N/A GLU 522.A N TRP 518.A O no hydrogen 2.817 N/A GLU 523.A N ASP 519.A O no hydrogen 2.955 N/A THR 524.A N LEU 520.A O no hydrogen 3.021 N/A THR 524.A OG1 LEU 521.A O no hydrogen 2.569 N/A LEU 525.A N LEU 521.A O no hydrogen 2.859 N/A TRP 526.A N GLU 522.A O no hydrogen 2.901 N/A ALA 527.A N GLU 523.A O no hydrogen 2.914 N/A PHE 528.A N THR 524.A O no hydrogen 2.941 N/A ARG 529.A N LEU 525.A O no hydrogen 2.860 N/A ARG 530.A N TRP 526.A O no hydrogen 2.871 N/A LYS 531.A N ALA 527.A O no hydrogen 2.963 N/A LYS 531.A N PHE 528.A O no hydrogen 3.125 N/A ALA 532.A N PHE 528.A O no hydrogen 2.825 N/A GLY 533.A N ARG 529.A O no hydrogen 2.869 N/A ARG 534.A NH1 GLU 470.A OE1 no hydrogen 2.946 N/A ARG 534.A NH2 GLU 470.A OE2 no hydrogen 2.278 N/A SER 537.A N GLU 470.A OE1 no hydrogen 3.444 N/A ARG 538.A NE ASP 567.A OD2 no hydrogen 2.920 N/A ARG 538.A NH2 ASP 567.A OD2 no hydrogen 3.431 N/A ARG 538.A NH2 ASP 623.A OD1 no hydrogen 2.599 N/A VAL 539.A N ALA 565.A O no hydrogen 3.021 N/A LEU 540.A N LEU 471.A O no hydrogen 2.858 N/A LEU 541.A N ASP 567.A O no hydrogen 2.668 N/A LEU 542.A N VAL 473.A O no hydrogen 2.871 N/A ARG 543.A N VAL 569.A O no hydrogen 3.004 N/A ARG 543.A NE ASP 544.A O no hydrogen 3.124 N/A ARG 543.A NH1 GLU 551.A OE2 no hydrogen 2.813 N/A ASP 544.A N PHE 475.A O no hydrogen 2.949 N/A GLY 545.A N VAL 571.A O no hydrogen 2.735 N/A GLU 551.A N PRO 548.A O no hydrogen 3.091 N/A ALA 553.A N ASP 550.A O no hydrogen 3.034 N/A LEU 554.A N GLN 514.A OE1 no hydrogen 3.235 N/A LEU 556.A N PHE 552.A O no hydrogen 2.752 N/A GLU 557.A N ALA 553.A O no hydrogen 2.940 N/A ALA 558.A N LEU 554.A O no hydrogen 2.904 N/A LEU 559.A N ALA 555.A O no hydrogen 2.904 N/A ALA 560.A N LEU 556.A O no hydrogen 2.922 N/A ARG 561.A N GLU 557.A O no hydrogen 2.938 N/A GLU 562.A N ALA 558.A O no hydrogen 3.188 N/A GLU 562.A N LEU 559.A O no hydrogen 3.167 N/A GLY 563.A N ALA 560.A O no hydrogen 3.021 N/A ILE 564.A N LEU 559.A O no hydrogen 3.047 N/A ALA 565.A N SER 537.A O no hydrogen 3.102 N/A ASP 567.A N VAL 539.A O no hydrogen 3.050 N/A LEU 568.A N ALA 621.A O no hydrogen 2.806 N/A VAL 569.A N LEU 541.A O no hydrogen 2.771 N/A SER 570.A N VAL 618.A O no hydrogen 2.881 N/A SER 570.A OG GLY 545.A O no hydrogen 2.523 N/A VAL 571.A N ARG 543.A O no hydrogen 2.937 N/A ARG 572.A N LYS 616.A O no hydrogen 2.837 N/A ARG 572.A NE SER 570.A OG no hydrogen 3.139 N/A LYS 573.A NZ ASP 544.A OD1 no hydrogen 2.907 N/A LYS 573.A NZ ASP 544.A OD2 no hydrogen 2.843 N/A ARG 578.A N ASN 10.A OD1 no hydrogen 2.941 N/A ARG 578.A NE ASP 166.A OD1 no hydrogen 3.317 N/A ARG 578.A NE ASP 166.A OD2 no hydrogen 3.147 N/A ARG 578.A NH1 THR 611.A O no hydrogen 2.838 N/A ARG 578.A NH1 PRO 612.A O no hydrogen 3.116 N/A ARG 578.A NH2 ASP 166.A OD2 no hydrogen 3.482 N/A TYR 580.A N PHE 8.A O no hydrogen 2.901 N/A VAL 582.A N GLU 6.A O no hydrogen 3.337 N/A GLN 583.A N GLN 583.A OE1 no hydrogen 2.410 N/A GLY 589.A N LEU 602.A O no hydrogen 2.675 N/A LEU 590.A N LEU 602.A O no hydrogen 3.004 N/A TYR 591.A N TYR 312.A O no hydrogen 2.921 N/A VAL 592.A N LEU 600.A O no hydrogen 2.926 N/A LEU 594.A N THR 598.A O no hydrogen 3.238 N/A PHE 599.A N LEU 617.A O no hydrogen 2.917 N/A LEU 600.A N VAL 592.A O no hydrogen 2.889 N/A LEU 601.A N LEU 615.A O no hydrogen 2.938 N/A LEU 602.A N LEU 590.A O no hydrogen 2.886 N/A THR 603.A OG1 ARG 649.A O no hydrogen 2.760 N/A HIS 605.A N ASP 588.A OD2 no hydrogen 3.193 N/A ARG 606.A NE HIS 605.A O no hydrogen 2.934 N/A ARG 606.A NH2 HIS 605.A O no hydrogen 3.481 N/A ARG 609.A N ARG 606.A O no hydrogen 3.213 N/A THR 611.A OG1 LEU 279.A O no hydrogen 2.751 N/A LEU 615.A N LEU 601.A O no hydrogen 2.936 N/A LYS 616.A N ARG 572.A O no hydrogen 2.934 N/A LEU 617.A N PHE 599.A O no hydrogen 2.860 N/A VAL 618.A N SER 570.A O no hydrogen 2.954 N/A HIS 619.A N LYS 597.A O no hydrogen 2.483 N/A HIS 619.A NE2 ASP 567.A OD1 no hydrogen 2.647 N/A GLU 620.A N LEU 568.A O no hydrogen 2.874 N/A ALA 621.A N LEU 568.A O no hydrogen 3.372 N/A THR 624.A N ASP 567.A OD1 no hydrogen 3.190 N/A THR 624.A OG1 ASP 567.A OD1 no hydrogen 3.389 N/A THR 624.A OG1 ASP 567.A OD2 no hydrogen 2.520 N/A ALA 628.A N PRO 625.A O no hydrogen 3.023 N/A LEU 629.A N PRO 625.A O no hydrogen 3.253 N/A ALA 630.A N LEU 626.A O no hydrogen 2.870 N/A HIS 631.A N GLU 627.A O no hydrogen 2.893 N/A HIS 631.A NE2 SER 315.A OG no hydrogen 2.765 N/A GLN 632.A N ALA 628.A O no hydrogen 2.931 N/A GLN 632.A NE2 ALA 469.A O no hydrogen 2.951 N/A ILE 633.A N LEU 629.A O no hydrogen 2.893 N/A PHE 634.A N ALA 630.A O no hydrogen 2.904 N/A HIS 635.A N HIS 631.A O no hydrogen 2.937 N/A HIS 635.A ND1 TYR 467.A OH no hydrogen 2.542 N/A HIS 635.A NE2 SER 315.A O no hydrogen 2.795 N/A LEU 636.A N GLN 632.A O no hydrogen 2.869 N/A THR 637.A N ILE 633.A O no hydrogen 2.994 N/A THR 637.A N PHE 634.A O no hydrogen 3.261 N/A THR 637.A OG1 PRO 648.A O no hydrogen 3.016 N/A THR 637.A OG1 ARG 649.A O no hydrogen 3.121 N/A ARG 638.A N HIS 635.A O no hydrogen 2.753 N/A ARG 638.A NH2 THR 603.A O no hydrogen 2.421 N/A LEU 639.A N LEU 636.A O no hydrogen 3.054 N/A SER 643.A OG ALA 646.A O no hydrogen 2.570 N/A GLY 644.A N ASN 447.A OD1 no hydrogen 2.874 N/A ARG 649.A NH1 LYS 573.A O no hydrogen 2.873 N/A ARG 649.A NH1 ARG 613.A O no hydrogen 2.788 N/A ARG 649.A NH2 LYS 573.A O no hydrogen 3.343 N/A ALA 652.A N LEU 636.A O no hydrogen 3.011 N/A LEU 654.A N PRO 651.A O no hydrogen 2.839 N/A HIS 655.A N PRO 651.A O no hydrogen 3.161 N/A LEU 656.A N ALA 652.A O no hydrogen 2.870 N/A ALA 657.A N PRO 653.A O no hydrogen 2.905 N/A ASP 658.A N LEU 654.A O no hydrogen 2.896 N/A ARG 659.A N HIS 655.A O no hydrogen 2.981 N/A ARG 659.A NH2 PHE 682.A O no hydrogen 3.476 N/A LEU 660.A N LEU 656.A O no hydrogen 2.874 N/A VAL 661.A N ALA 657.A O no hydrogen 2.950 N/A LYS 662.A N ASP 658.A O no hydrogen 2.949 N/A LYS 662.A NZ ASP 658.A OD1 no hydrogen 3.429 N/A LYS 662.A NZ ASP 658.A OD2 no hydrogen 3.376 N/A GLU 663.A N ARG 659.A O no hydrogen 2.921 N/A VAL 664.A N LEU 660.A O no hydrogen 2.914 N/A GLY 665.A N VAL 661.A O no hydrogen 2.921 N/A ARG 666.A N LYS 662.A O no hydrogen 2.964 N/A ARG 666.A N GLU 663.A O no hydrogen 3.070 N/A ARG 666.A NE GLU 663.A OE1 no hydrogen 3.151 N/A ARG 666.A NH2 GLU 663.A OE1 no hydrogen 3.561 N/A LEU 667.A N GLU 663.A O no hydrogen 2.881 N/A GLY 668.A N VAL 664.A O no hydrogen 2.729 N/A HIS 671.A NE2 LEU 667.A O no hydrogen 2.791 N/A LEU 672.A N ILE 669.A O no hydrogen 3.335 N/A VAL 675.A N LEU 672.A O no hydrogen 3.474 N/A LYS 679.A N ASP 676.A O no hydrogen 3.081 N/A LYS 679.A NZ GLN 402.A O no hydrogen 3.043 N/A LEU 680.A N ALA 454.A O no hydrogen 3.171 N/A PHE 681.A N LYS 679.A O no hydrogen 2.813 N/A VAL 683.A N LEU 680.A O no hydrogen 3.313 N/A