Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7vap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N VAL 64.A O no hydrogen 2.742 N/A VAL 5.A N LYS 17.A O no hydrogen 3.168 N/A ILE 6.A N GLU 62.A O no hydrogen 2.766 N/A GLN 7.A N ILE 15.A O no hydrogen 2.752 N/A LYS 8.A N ILE 15.A O no hydrogen 3.252 N/A ALA 10.A N ALA 13.A O no hydrogen 3.098 N/A ALA 13.A N ALA 10.A O no hydrogen 3.255 N/A VAL 14.A N VAL 49.A O no hydrogen 2.875 N/A ILE 15.A N LYS 8.A O no hydrogen 3.030 N/A ALA 16.A N ALA 47.A O no hydrogen 2.914 N/A LYS 17.A N VAL 5.A O no hydrogen 3.067 N/A MET 19.A N ASP 45.A O no hydrogen 3.124 N/A ALA 22.A N MET 19.A O no hydrogen 3.334 N/A ARG 23.A NE ASP 26.A OD2 no hydrogen 3.173 N/A ARG 23.A NH2 GLY 68.A O no hydrogen 2.950 N/A TYR 25.A N ILE 39.A O no hydrogen 2.690 N/A ILE 27.A N LEU 69.A O no hydrogen 2.840 N/A CYS 28.A N GLY 37.A O no hydrogen 3.156 N/A LYS 29.A N VAL 65.A O no hydrogen 2.640 N/A VAL 30.A N LEU 35.A O no hydrogen 2.705 N/A GLY 31.A N PRO 63.A O no hydrogen 2.857 N/A GLU 32.A N GLU 62.A OE1 no hydrogen 3.094 N/A GLY 34.A N GLY 31.A O no hydrogen 3.321 N/A LEU 35.A N VAL 30.A O no hydrogen 2.974 N/A VAL 36.A N GLU 53.A OE2 no hydrogen 3.391 N/A GLY 37.A N CYS 28.A O no hydrogen 2.860 N/A GLU 38.A N GLN 50.A O no hydrogen 2.945 N/A ILE 39.A N ASP 26.A O no hydrogen 3.172 N/A ILE 40.A N PHE 48.A O no hydrogen 2.893 N/A ARG 41.A NH1 LEU 341.A O no hydrogen 3.453 N/A ARG 41.A NH2 LEU 341.A O no hydrogen 3.340 N/A ASP 43.A N THR 46.A O no hydrogen 3.052 N/A THR 46.A N ASP 43.A O no hydrogen 3.016 N/A THR 46.A OG1 ASP 43.A O no hydrogen 2.776 N/A ALA 47.A N ALA 16.A O no hydrogen 2.761 N/A PHE 48.A N ARG 41.A O no hydrogen 2.871 N/A VAL 49.A N VAL 14.A O no hydrogen 2.811 N/A GLN 50.A N GLU 38.A O no hydrogen 2.973 N/A VAL 51.A N PRO 12.A O no hydrogen 3.030 N/A TYR 52.A N VAL 36.A O no hydrogen 2.965 N/A TYR 52.A OH GLU 38.A OE1 no hydrogen 2.290 N/A THR 55.A OG1 GLY 11.A O no hydrogen 2.437 N/A SER 56.A OG ASP 54.A OD2 no hydrogen 2.872 N/A LEU 58.A N THR 55.A O no hydrogen 3.280 N/A LYS 59.A N GLU 62.A OE2 no hydrogen 3.092 N/A GLY 61.A N ILE 6.A O no hydrogen 2.982 N/A VAL 64.A N GLY 4.A O no hydrogen 2.797 N/A VAL 65.A N LYS 29.A O no hydrogen 2.989 N/A SER 66.A N ILE 2.A O no hydrogen 2.954 N/A THR 67.A N ILE 27.A O no hydrogen 3.016 N/A THR 67.A OG1 ILE 27.A O no hydrogen 2.826 N/A VAL 73.A N TRP 187.A O no hydrogen 3.149 N/A GLU 74.A N GLN 88.A OE1 no hydrogen 3.059 N/A LEU 75.A N HIS 185.A O no hydrogen 2.887 N/A GLY 78.A N GLU 140.A OE2 no hydrogen 2.940 N/A ASN 81.A N THR 285.A O no hydrogen 3.067 N/A TYR 84.A N LEU 287.A O no hydrogen 2.873 N/A TYR 84.A OH ALA 110.A O no hydrogen 3.298 N/A ASP 85.A N ARG 89.A O no hydrogen 3.069 N/A ILE 87.A N ASP 85.A OD1 no hydrogen 3.178 N/A GLN 88.A N ASP 85.A O no hydrogen 3.315 N/A GLN 88.A NE2 GLU 74.A O no hydrogen 2.973 N/A ARG 89.A N ASP 85.A OD1 no hydrogen 2.571 N/A ARG 89.A NE ASP 85.A OD2 no hydrogen 2.689 N/A ARG 89.A NH1 VAL 106.A O no hydrogen 3.371 N/A ARG 89.A NH2 ASP 85.A OD2 no hydrogen 2.921 N/A LEU 91.A N ILE 83.A O no hydrogen 3.354 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.909 N/A ILE 94.A N PRO 90.A O no hydrogen 3.378 N/A ARG 95.A N LEU 91.A O no hydrogen 2.890 N/A ARG 95.A NH1 ARG 95.A O no hydrogen 3.223 N/A GLU 96.A N GLU 92.A O no hydrogen 2.919 N/A GLU 96.A N ARG 93.A O no hydrogen 3.240 N/A LYS 97.A N ARG 93.A O no hydrogen 2.898 N/A LYS 97.A NZ VAL 107.A O no hydrogen 2.821 N/A THR 98.A N ILE 94.A O no hydrogen 2.734 N/A THR 98.A OG1 THR 103.A OG1 no hydrogen 3.297 N/A THR 103.A OG1 THR 98.A OG1 no hydrogen 3.297 N/A ARG 104.A NE GLU 33.A OE1 no hydrogen 3.126 N/A ARG 104.A NH1 SER 56.A O no hydrogen 2.631 N/A ARG 104.A NH2 GLU 33.A OE1 no hydrogen 2.443 N/A GLY 105.A N GLU 53.A OE1 no hydrogen 2.769 N/A ALA 110.A N GLU 74.A OE2 no hydrogen 3.443 N/A ARG 113.A NE GLU 169.A OE2 no hydrogen 3.295 N/A ARG 113.A NH1 GLU 74.A OE1 no hydrogen 3.045 N/A ARG 113.A NH1 LEU 111.A O no hydrogen 2.570 N/A ARG 113.A NH2 GLU 74.A OE1 no hydrogen 2.643 N/A GLU 114.A N ASP 112.A OD1 no hydrogen 3.286 N/A TRP 117.A N TYR 166.A O no hydrogen 2.829 N/A TRP 119.A N GLY 164.A O no hydrogen 2.690 N/A TRP 119.A NE1 LYS 161.A O no hydrogen 3.011 N/A THR 120.A N THR 137.A O no hydrogen 3.278 N/A MET 122.A N LEU 135.A O no hydrogen 3.065 N/A LYS 124.A N ASP 127.A OD2 no hydrogen 3.157 N/A LYS 124.A NZ ASP 127.A OD2 no hydrogen 2.932 N/A GLY 126.A N VAL 157.A O no hydrogen 2.980 N/A ASP 127.A N LYS 124.A O no hydrogen 3.191 N/A VAL 129.A N GLY 155.A O no hydrogen 3.000 N/A GLY 132.A N VAL 149.A O no hydrogen 3.180 N/A MET 133.A N ARG 130.A O no hydrogen 3.010 N/A LEU 135.A N ILE 147.A O no hydrogen 2.780 N/A THR 137.A N THR 120.A O no hydrogen 3.095 N/A VAL 138.A N HIS 145.A O no hydrogen 2.730 N/A GLU 140.A N PHE 143.A O no hydrogen 3.142 N/A PHE 143.A N GLU 140.A O no hydrogen 2.757 N/A HIS 145.A N VAL 138.A O no hydrogen 2.818 N/A HIS 145.A ND1 GLU 140.A OE1 no hydrogen 2.585 N/A HIS 145.A NE2 TYR 312.A OH no hydrogen 2.745 N/A LYS 146.A N GLN 316.A OE1 no hydrogen 3.097 N/A ILE 147.A N GLY 136.A O no hydrogen 3.057 N/A VAL 149.A N MET 133.A O no hydrogen 2.941 N/A VAL 153.A N PRO 150.A O no hydrogen 3.316 N/A VAL 157.A N ASP 127.A O no hydrogen 2.998 N/A LYS 158.A N VAL 174.A O no hydrogen 2.816 N/A LYS 158.A NZ GLU 176.A O no hydrogen 3.505 N/A LYS 158.A NZ GLU 176.A OE1 no hydrogen 3.370 N/A GLU 159.A N VAL 174.A O no hydrogen 3.303 N/A LYS 161.A N VAL 172.A O no hydrogen 2.919 N/A LYS 161.A NZ PRO 171.A O no hydrogen 3.151 N/A GLY 164.A N TRP 119.A O no hydrogen 3.333 N/A TYR 166.A N TRP 117.A O no hydrogen 3.130 N/A TYR 166.A OH PRO 162.A O no hydrogen 2.927 N/A GLU 170.A N THR 167.A O no hydrogen 3.363 N/A VAL 173.A N LEU 181.A O no hydrogen 3.420 N/A VAL 174.A N GLU 159.A O no hydrogen 3.143 N/A LEU 175.A N THR 179.A O no hydrogen 3.094 N/A GLU 176.A N ARG 156.A O no hydrogen 2.697 N/A GLY 178.A N LEU 175.A O no hydrogen 2.846 N/A LEU 181.A N VAL 173.A O no hydrogen 2.863 N/A MET 183.A N VAL 168.A O no hydrogen 3.422 N/A TYR 184.A OH GLU 169.A OE2 no hydrogen 2.907 N/A HIS 185.A N LEU 75.A O no hydrogen 3.158 N/A TRP 187.A N VAL 73.A O no hydrogen 3.247 N/A TRP 187.A NE1 ARG 191.A O no hydrogen 2.857 N/A VAL 189.A N LEU 71.A O no hydrogen 3.028 N/A ARG 190.A NH2 GLU 300.A OE1 no hydrogen 2.685 N/A ARG 191.A N PRO 188.A O no hydrogen 3.369 N/A ARG 193.A NE ASP 315.A OD2 no hydrogen 2.700 N/A ARG 193.A NH1 HIS 185.A NE2 no hydrogen 3.156 N/A ARG 193.A NH2 ASP 315.A OD2 no hydrogen 3.201 N/A GLN 196.A N ILE 369.A O no hydrogen 2.989 N/A LEU 199.A N LYS 367.A O no hydrogen 2.791 N/A THR 203.A OG1 ASN 202.A OD1 no hydrogen 3.289 N/A PHE 205.A N VAL 218.A O no hydrogen 2.836 N/A LEU 206.A N ASN 246.A OD1 no hydrogen 3.115 N/A THR 207.A N ASP 213.A OD1 no hydrogen 2.883 N/A THR 207.A OG1 ASP 213.A OD1 no hydrogen 2.600 N/A GLY 208.A N ASP 213.A OD2 no hydrogen 2.844 N/A MET 209.A N THR 207.A OG1 no hydrogen 3.391 N/A ARG 210.A N GLN 497.A OE1 no hydrogen 2.990 N/A ARG 210.A NE PHE 494.A O no hydrogen 2.820 N/A ARG 210.A NH1 ASP 504.A OD1 no hydrogen 3.446 N/A ARG 210.A NH2 GLN 496.A O no hydrogen 2.559 N/A ARG 210.A NH2 ASP 504.A OD1 no hydrogen 3.490 N/A ASP 213.A N MET 209.A O no hydrogen 2.880 N/A VAL 214.A N ARG 210.A O no hydrogen 2.911 N/A LEU 215.A N ILE 211.A O no hydrogen 2.911 N/A PHE 216.A N ILE 211.A O no hydrogen 3.425 N/A GLY 222.A N ALA 219.A O no hydrogen 3.439 N/A ALA 224.A N ILE 380.A O no hydrogen 2.994 N/A ALA 225.A N ALA 405.A O no hydrogen 3.222 N/A ILE 226.A N GLY 382.A O no hydrogen 3.040 N/A ALA 232.A N PRO 229.A O no hydrogen 3.199 N/A LYS 234.A NZ GLY 228.A O no hydrogen 3.199 N/A SER 235.A OG GLU 261.A OE1 no hydrogen 3.509 N/A THR 237.A N GLY 233.A O no hydrogen 3.316 N/A THR 237.A OG1 GLY 233.A O no hydrogen 2.590 N/A GLN 238.A N LYS 234.A O no hydrogen 2.937 N/A GLN 238.A NE2 ALA 324.A O no hydrogen 3.340 N/A GLN 238.A NE2 VAL 381.A O no hydrogen 3.246 N/A GLN 239.A N SER 235.A O no hydrogen 2.908 N/A SER 240.A N VAL 236.A O no hydrogen 2.896 N/A SER 240.A OG VAL 236.A O no hydrogen 2.787 N/A LEU 241.A N THR 237.A O no hydrogen 2.923 N/A ALA 242.A N GLN 238.A O no hydrogen 2.922 N/A LYS 243.A N GLN 239.A O no hydrogen 2.909 N/A TRP 244.A N SER 240.A O no hydrogen 2.910 N/A SER 245.A N LEU 241.A O no hydrogen 3.127 N/A SER 245.A OG LEU 241.A O no hydrogen 2.788 N/A ASP 248.A N SER 319.A O no hydrogen 2.915 N/A VAL 250.A N ARG 284.A O no hydrogen 3.035 N/A VAL 251.A N ALA 321.A O no hydrogen 2.970 N/A TYR 252.A N VAL 286.A O no hydrogen 2.821 N/A VAL 253.A N MET 323.A O no hydrogen 2.878 N/A GLY 254.A N ILE 288.A O no hydrogen 2.803 N/A CYS 255.A SG ARG 299.A O no hydrogen 3.818 N/A CYS 255.A SG SER 326.A O no hydrogen 3.617 N/A GLY 256.A N ASN 290.A O no hydrogen 2.700 N/A ARG 258.A NH1 GLU 261.A OE2 no hydrogen 2.879 N/A THR 263.A N GLY 259.A O no hydrogen 2.938 N/A THR 263.A OG1 GLY 259.A O no hydrogen 2.942 N/A ASP 264.A N ASN 260.A O no hydrogen 2.852 N/A VAL 265.A N GLU 261.A O no hydrogen 2.976 N/A LEU 266.A N MET 262.A O no hydrogen 2.900 N/A VAL 267.A N THR 263.A O no hydrogen 2.913 N/A GLU 268.A N ASP 264.A O no hydrogen 2.896 N/A PHE 269.A N VAL 265.A O no hydrogen 2.938 N/A GLU 271.A N GLU 268.A O no hydrogen 2.992 N/A LEU 272.A N PHE 269.A O no hydrogen 3.089 N/A ASP 274.A N GLY 279.A O no hydrogen 2.742 N/A LYS 276.A N ASP 274.A OD1 no hydrogen 3.094 N/A LYS 276.A NZ ASN 246.A O no hydrogen 2.826 N/A LYS 276.A NZ ASP 248.A OD1 no hydrogen 3.381 N/A THR 277.A N ASP 274.A OD1 no hydrogen 3.275 N/A THR 277.A OG1 ASP 274.A OD2 no hydrogen 3.147 N/A GLY 278.A N ASP 274.A O no hydrogen 3.252 N/A LEU 281.A N LEU 272.A O no hydrogen 3.181 N/A HIS 283.A N PRO 280.A O no hydrogen 3.194 N/A ARG 284.A N LEU 281.A O no hydrogen 3.364 N/A ARG 284.A NH1 SER 245.A O no hydrogen 3.545 N/A ARG 284.A NH2 ALA 242.A O no hydrogen 2.764 N/A THR 285.A N MET 282.A O no hydrogen 3.361 N/A THR 285.A OG1 LEU 281.A O no hydrogen 3.067 N/A VAL 286.A N VAL 250.A O no hydrogen 2.999 N/A LEU 287.A N GLY 82.A O no hydrogen 3.155 N/A ILE 288.A N TYR 252.A O no hydrogen 2.917 N/A ALA 289.A N TYR 84.A O no hydrogen 2.867 N/A ASN 290.A N GLY 254.A O no hydrogen 3.269 N/A THR 291.A OG1 ASN 293.A OD1 no hydrogen 3.088 N/A MET 294.A N THR 291.A O no hydrogen 3.290 N/A ARG 299.A N VAL 296.A O no hydrogen 2.979 N/A SER 302.A N ALA 298.A O no hydrogen 2.940 N/A SER 302.A OG ARG 299.A O no hydrogen 3.072 N/A VAL 305.A N ALA 301.A O no hydrogen 2.938 N/A GLY 306.A N SER 302.A O no hydrogen 2.943 N/A VAL 307.A N ILE 303.A O no hydrogen 2.965 N/A THR 308.A N TYR 304.A O no hydrogen 2.907 N/A THR 308.A OG1 TYR 304.A O no hydrogen 2.666 N/A ILE 309.A N VAL 305.A O no hydrogen 2.992 N/A ALA 310.A N GLY 306.A O no hydrogen 2.967 N/A GLU 311.A N VAL 307.A O no hydrogen 2.899 N/A TYR 312.A N THR 308.A O no hydrogen 2.931 N/A TYR 312.A OH HIS 145.A NE2 no hydrogen 2.745 N/A PHE 313.A N ILE 309.A O no hydrogen 2.999 N/A ARG 314.A N ALA 310.A O no hydrogen 2.909 N/A ARG 314.A NE ASP 315.A OD1 no hydrogen 3.501 N/A ARG 314.A NH1 GLU 311.A OE2 no hydrogen 3.528 N/A ARG 314.A NH2 ARG 193.A O no hydrogen 3.375 N/A ARG 314.A NH2 ASP 315.A OD1 no hydrogen 3.352 N/A ASP 315.A N GLU 311.A O no hydrogen 2.872 N/A GLN 316.A N TYR 312.A O no hydrogen 3.013 N/A GLN 316.A NE2 HIS 145.A NE2 no hydrogen 2.980 N/A GLY 317.A N ARG 314.A O no hydrogen 2.803 N/A PHE 318.A N PHE 313.A O no hydrogen 3.417 N/A SER 319.A N ASP 248.A OD2 no hydrogen 3.008 N/A SER 319.A OG ASP 248.A OD2 no hydrogen 3.082 N/A VAL 320.A N ALA 377.A O no hydrogen 2.793 N/A ALA 321.A N VAL 249.A O no hydrogen 3.058 N/A LEU 322.A N THR 379.A O no hydrogen 2.636 N/A MET 323.A N VAL 251.A O no hydrogen 2.964 N/A ALA 324.A N VAL 381.A O no hydrogen 3.053 N/A ASP 325.A N VAL 253.A O no hydrogen 2.898 N/A SER 326.A OG SER 385.A OG no hydrogen 3.228 N/A THR 327.A N ALA 383.A O no hydrogen 3.192 N/A ARG 329.A NE GLU 257.A OE2 no hydrogen 3.203 N/A ARG 329.A NH1 GLU 332.A OE1 no hydrogen 3.431 N/A ALA 331.A N THR 327.A O no hydrogen 2.967 N/A GLU 332.A N SER 328.A O no hydrogen 2.881 N/A ALA 333.A N ARG 329.A O no hydrogen 2.908 N/A LEU 334.A N TRP 330.A O no hydrogen 2.977 N/A ARG 335.A N ALA 331.A O no hydrogen 2.912 N/A ARG 335.A NH1 GLU 348.A O no hydrogen 2.886 N/A GLU 336.A N GLU 332.A O no hydrogen 2.915 N/A ILE 337.A N ALA 333.A O no hydrogen 2.973 N/A SER 338.A N LEU 334.A O no hydrogen 2.896 N/A SER 338.A OG GLU 343.A OE1 no hydrogen 3.222 N/A SER 339.A N ARG 335.A O no hydrogen 2.886 N/A ARG 340.A N GLU 336.A O no hydrogen 2.986 N/A LEU 341.A N ILE 337.A O no hydrogen 2.920 N/A GLU 342.A N SER 339.A O no hydrogen 3.122 N/A GLU 343.A N SER 338.A O no hydrogen 3.303 N/A ALA 346.A N TYR 350.A O no hydrogen 2.831 N/A GLY 349.A N GLU 347.A O no hydrogen 2.794 N/A TYR 350.A OH GLU 393.A OE2 no hydrogen 3.241 N/A TYR 353.A OH GLU 343.A OE1 no hydrogen 3.210 N/A LEU 354.A N PRO 351.A O no hydrogen 3.358 N/A ARG 357.A N TYR 353.A O no hydrogen 2.945 N/A ARG 357.A NH1 GLU 300.A OE2 no hydrogen 2.755 N/A LEU 358.A N LEU 354.A O no hydrogen 2.930 N/A ALA 359.A N ALA 355.A O no hydrogen 2.912 N/A ALA 360.A N ALA 356.A O no hydrogen 2.928 N/A PHE 361.A N ARG 357.A O no hydrogen 2.940 N/A TYR 362.A N LEU 358.A O no hydrogen 2.911 N/A GLU 363.A N ALA 359.A O no hydrogen 2.936 N/A ARG 364.A N PHE 361.A O no hydrogen 3.412 N/A ARG 364.A NH1 GLU 311.A OE1 no hydrogen 2.642 N/A ARG 364.A NH2 VAL 189.A O no hydrogen 2.716 N/A GLY 366.A N VAL 378.A O no hydrogen 3.221 N/A LYS 367.A NZ ASN 202.A OD1 no hydrogen 2.963 N/A LYS 367.A NZ GLU 375.A OE2 no hydrogen 3.299 N/A VAL 368.A N GLY 376.A O no hydrogen 2.945 N/A ILE 369.A N ARG 197.A O no hydrogen 2.806 N/A THR 370.A N GLU 374.A O no hydrogen 2.889 N/A GLY 373.A N THR 370.A O no hydrogen 2.928 N/A GLY 376.A N VAL 368.A O no hydrogen 3.357 N/A ALA 377.A N PHE 318.A O no hydrogen 3.139 N/A VAL 378.A N GLY 366.A O no hydrogen 3.362 N/A THR 379.A N VAL 320.A O no hydrogen 2.821 N/A THR 379.A OG1 MET 220.A O no hydrogen 2.134 N/A VAL 381.A N LEU 322.A O no hydrogen 2.986 N/A GLY 382.A N ALA 224.A O no hydrogen 3.093 N/A ALA 383.A N ALA 324.A O no hydrogen 3.113 N/A VAL 384.A N ILE 226.A O no hydrogen 3.222 N/A SER 385.A N SER 328.A OG no hydrogen 2.861 N/A SER 385.A OG SER 326.A OG no hydrogen 3.228 N/A GLY 389.A N PRO 386.A O no hydrogen 3.163 N/A SER 392.A N ASP 390.A OD1 no hydrogen 3.271 N/A SER 392.A OG ASP 390.A OD1 no hydrogen 3.544 N/A GLU 393.A N ASP 390.A O no hydrogen 3.269 N/A VAL 395.A N GLU 393.A OE1 no hydrogen 2.913 N/A VAL 395.A N GLU 393.A OE2 no hydrogen 3.214 N/A THR 396.A N GLU 393.A OE1 no hydrogen 3.336 N/A GLN 397.A N GLU 393.A O no hydrogen 3.130 N/A GLN 397.A NE2 MET 391.A O no hydrogen 2.702 N/A SER 398.A N PRO 394.A O no hydrogen 2.897 N/A SER 398.A OG PRO 394.A O no hydrogen 2.842 N/A THR 399.A N VAL 395.A O no hydrogen 2.921 N/A THR 399.A OG1 VAL 395.A O no hydrogen 2.659 N/A LEU 400.A N THR 396.A O no hydrogen 2.923 N/A ILE 402.A N THR 399.A O no hydrogen 3.464 N/A GLY 404.A N THR 223.A O no hydrogen 3.153 N/A ALA 405.A N THR 223.A O no hydrogen 3.149 N/A PHE 406.A N TYR 428.A O no hydrogen 3.008 N/A TRP 407.A N ALA 225.A O no hydrogen 2.979 N/A ARG 408.A N SER 427.A OG no hydrogen 3.107 N/A LEU 409.A N PRO 227.A O no hydrogen 3.188 N/A ASP 410.A N ALA 421.A O no hydrogen 3.136 N/A SER 412.A N ASP 410.A OD1 no hydrogen 2.919 N/A SER 412.A OG ASP 410.A OD1 no hydrogen 3.013 N/A SER 412.A OG ASP 410.A OD2 no hydrogen 3.087 N/A ALA 414.A N ASP 410.A O no hydrogen 3.174 N/A PHE 415.A N ALA 411.A O no hydrogen 2.909 N/A ARG 417.A N ALA 414.A O no hydrogen 3.185 N/A ARG 417.A NH1 PHE 415.A O no hydrogen 3.238 N/A HIS 418.A N LEU 413.A O no hydrogen 3.042 N/A HIS 418.A NE2 ARG 491.A O no hydrogen 3.226 N/A ASN 423.A N ARG 408.A O no hydrogen 2.855 N/A GLY 426.A N ASN 423.A O no hydrogen 3.222 N/A GLY 426.A N ASN 423.A OD1 no hydrogen 3.316 N/A SER 427.A OG ASN 423.A O no hydrogen 2.780 N/A TYR 428.A N PHE 406.A O no hydrogen 3.085 N/A SER 429.A OG PRO 217.A O no hydrogen 2.421 N/A LEU 430.A N GLY 404.A O no hydrogen 2.905 N/A THR 432.A OG1 SER 429.A O no hydrogen 3.496 N/A ASP 436.A N SER 433.A O no hydrogen 3.412 N/A TYR 439.A N LEU 435.A O no hydrogen 3.154 N/A ARG 440.A N ASP 436.A O no hydrogen 2.904 N/A ARG 440.A NH1 GLU 445.A O no hydrogen 2.923 N/A GLU 441.A N PRO 437.A O no hydrogen 2.932 N/A ASN 442.A N TRP 438.A O no hydrogen 2.904 N/A ASN 442.A ND2 TRP 438.A O no hydrogen 2.953 N/A VAL 443.A N TYR 439.A O no hydrogen 2.935 N/A ALA 444.A N TYR 439.A O no hydrogen 3.135 N/A TYR 447.A N ALA 444.A O no hydrogen 3.480 N/A LEU 450.A N ASP 446.A O no hydrogen 3.142 N/A ARG 451.A N TYR 447.A O no hydrogen 2.975 N/A ARG 451.A NH2 ASP 436.A OD1 no hydrogen 3.145 N/A ASP 452.A N PRO 448.A O no hydrogen 2.894 N/A ALA 453.A N GLU 449.A O no hydrogen 2.910 N/A ILE 454.A N LEU 450.A O no hydrogen 2.957 N/A SER 455.A N ARG 451.A O no hydrogen 2.945 N/A SER 455.A OG ARG 451.A O no hydrogen 2.942 N/A GLU 456.A N ASP 452.A O no hydrogen 2.901 N/A LEU 457.A N ALA 453.A O no hydrogen 2.943 N/A LEU 458.A N ILE 454.A O no hydrogen 2.943 N/A GLN 459.A N SER 455.A O no hydrogen 2.934 N/A ARG 460.A N GLU 456.A O no hydrogen 2.919 N/A ARG 460.A NH1 TYR 523.A OH no hydrogen 3.300 N/A GLU 461.A N LEU 457.A O no hydrogen 2.916 N/A ALA 462.A N LEU 458.A O no hydrogen 2.936 N/A GLY 463.A N GLN 459.A O no hydrogen 2.926 N/A LEU 464.A N ARG 460.A O no hydrogen 2.925 N/A GLN 465.A N GLU 461.A O no hydrogen 2.955 N/A GLN 465.A NE2 GLU 461.A OE2 no hydrogen 2.936 N/A GLU 466.A N GLY 463.A O no hydrogen 3.401 N/A VAL 468.A N LEU 464.A O no hydrogen 2.960 N/A GLN 469.A N GLN 465.A O no hydrogen 2.895 N/A GLN 469.A NE2 GLN 465.A O no hydrogen 3.416 N/A LEU 470.A N ILE 467.A O no hydrogen 2.930 N/A VAL 471.A N ILE 467.A O no hydrogen 2.950 N/A GLY 472.A N VAL 468.A O no hydrogen 2.759 N/A ALA 475.A N GLY 472.A O no hydrogen 3.302 N/A LEU 476.A N PRO 473.A O no hydrogen 3.126 N/A ARG 481.A N GLN 477.A O no hydrogen 2.988 N/A ARG 481.A NH1 GLU 485.A OE2 no hydrogen 2.836 N/A LEU 482.A N ASP 478.A O no hydrogen 2.871 N/A VAL 483.A N ALA 479.A O no hydrogen 2.950 N/A ILE 484.A N GLU 480.A O no hydrogen 2.920 N/A GLU 485.A N ARG 481.A O no hydrogen 2.902 N/A VAL 486.A N LEU 482.A O no hydrogen 2.896 N/A GLY 487.A N VAL 483.A O no hydrogen 2.912 N/A ARG 488.A N ILE 484.A O no hydrogen 2.934 N/A ARG 488.A NE GLU 485.A OE1 no hydrogen 3.137 N/A ARG 488.A NH1 GLU 492.A OE1 no hydrogen 2.556 N/A ARG 488.A NH2 GLU 485.A OE1 no hydrogen 3.161 N/A ILE 489.A N GLU 485.A O no hydrogen 2.884 N/A ILE 490.A N VAL 486.A O no hydrogen 2.899 N/A ARG 491.A N GLY 487.A O no hydrogen 2.910 N/A GLU 492.A N ARG 488.A O no hydrogen 2.929 N/A ASP 493.A N ILE 489.A O no hydrogen 2.872 N/A PHE 494.A N ILE 490.A O no hydrogen 3.103 N/A LEU 495.A N ILE 490.A O no hydrogen 3.140 N/A GLN 497.A N PHE 419.A O no hydrogen 3.205 N/A GLN 497.A NE2 GLY 208.A O no hydrogen 3.307 N/A GLN 497.A NE2 ASP 504.A O no hydrogen 3.056 N/A GLN 497.A NE2 ALA 505.A O no hydrogen 3.090 N/A ASN 498.A N ASP 504.A OD2 no hydrogen 2.529 N/A TYR 500.A N ASN 498.A OD1 no hydrogen 3.426 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.750 N/A VAL 503.A N HIS 501.A ND1 no hydrogen 2.891 N/A ASP 504.A N HIS 501.A ND1 no hydrogen 3.118 N/A CYS 507.A N GLY 208.A O no hydrogen 3.249 N/A CYS 507.A SG SER 508.A O no hydrogen 3.582 N/A SER 508.A N GLU 556.A OE2 no hydrogen 3.331 N/A LYS 510.A N SER 508.A OG no hydrogen 3.416 N/A LYS 511.A NZ ARG 552.A O no hydrogen 2.517 N/A LYS 511.A NZ VAL 554.A O no hydrogen 3.350 N/A ALA 512.A N SER 508.A O no hydrogen 3.460 N/A TYR 513.A N MET 509.A O no hydrogen 2.918 N/A TYR 513.A OH ASP 446.A OD1 no hydrogen 2.553 N/A TYR 513.A OH ASP 446.A OD2 no hydrogen 3.063 N/A GLY 514.A N LYS 510.A O no hydrogen 2.893 N/A ILE 515.A N LYS 511.A O no hydrogen 2.967 N/A MET 516.A N ALA 512.A O no hydrogen 2.935 N/A LYS 517.A N TYR 513.A O no hydrogen 2.912 N/A MET 518.A N GLY 514.A O no hydrogen 2.934 N/A ILE 519.A N ILE 515.A O no hydrogen 2.958 N/A LEU 520.A N MET 516.A O no hydrogen 2.938 N/A ALA 521.A N LYS 517.A O no hydrogen 2.926 N/A PHE 522.A N MET 518.A O no hydrogen 2.953 N/A TYR 523.A N ILE 519.A O no hydrogen 2.934 N/A LYS 524.A N LEU 520.A O no hydrogen 2.930 N/A GLU 525.A N ALA 521.A O no hydrogen 2.978 N/A ALA 526.A N PHE 522.A O no hydrogen 2.899 N/A GLU 527.A N TYR 523.A O no hydrogen 2.911 N/A ALA 528.A N LYS 524.A O no hydrogen 2.965 N/A ALA 529.A N GLU 525.A O no hydrogen 2.901 N/A ILE 530.A N ALA 526.A O no hydrogen 2.905 N/A LYS 531.A N GLU 527.A O no hydrogen 2.949 N/A ARG 532.A N ALA 529.A O no hydrogen 3.192 N/A GLY 533.A N ILE 530.A O no hydrogen 3.282 N/A VAL 534.A N ALA 529.A O no hydrogen 3.107 N/A ILE 539.A N ILE 536.A O no hydrogen 2.843 N/A LEU 540.A N ILE 536.A O no hydrogen 3.263 N/A GLN 541.A N GLU 538.A O no hydrogen 3.380 N/A LEU 542.A N ILE 539.A O no hydrogen 2.932 N/A LEU 545.A N LEU 542.A O no hydrogen 3.245 N/A ILE 548.A N VAL 544.A O no hydrogen 2.943 N/A GLY 549.A N LEU 545.A O no hydrogen 2.900 N/A ARG 550.A N GLU 546.A O no hydrogen 2.883 N/A ALA 551.A N ILE 548.A O no hydrogen 3.351 N/A ARG 552.A NH2 ASP 504.A OD2 no hydrogen 2.791 N/A TYR 553.A N ARG 550.A O no hydrogen 3.407 N/A TYR 562.A OH ARG 547.A O no hydrogen 2.979 N/A PHE 563.A N PHE 559.A O no hydrogen 2.844 N/A GLU 564.A N PRO 560.A O no hydrogen 2.945 N/A GLU 565.A N ALA 561.A O no hydrogen 2.941 N/A ALA 566.A N TYR 562.A O no hydrogen 2.864 N/A MET 567.A N PHE 563.A O no hydrogen 2.896 N/A LYS 568.A N GLU 564.A O no hydrogen 2.999 N/A GLU 569.A N GLU 565.A O no hydrogen 2.889 N/A ILE 570.A N ALA 566.A O no hydrogen 2.842 N/A GLN 571.A N MET 567.A O no hydrogen 2.979 N/A GLN 571.A NE2 GLU 525.A OE2 no hydrogen 3.470 N/A GLY 572.A N LYS 568.A O no hydrogen 2.883 N/A ALA 573.A N GLU 569.A O no hydrogen 2.881 N/A LYS 575.A N GLN 571.A O no hydrogen 2.910 N/A LYS 575.A NZ LYS 575.A O no hydrogen 3.010 N/A ALA 576.A N GLY 572.A O no hydrogen 2.854 N/A ALA 578.A N PHE 574.A O no hydrogen 3.459 N/A