Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ail_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 21.A O no hydrogen 2.561 N/A LEU 3.A N PHE 19.A O no hydrogen 2.918 N/A VAL 5.A N ASP 4.A OD1 no hydrogen 2.726 N/A ASP 6.A N ARG 17.A O no hydrogen 3.217 N/A ILE 8.A N VAL 15.A O no hydrogen 3.106 N/A GLU 10.A N LYS 13.A O no hydrogen 2.818 N/A LYS 13.A NZ GLU 88.A OE2 no hydrogen 3.051 N/A VAL 15.A N ILE 8.A O no hydrogen 2.861 N/A ILE 16.A N ASP 31.A O no hydrogen 2.912 N/A ARG 17.A N ASP 6.A O no hydrogen 2.883 N/A ARG 17.A NE ASP 6.A OD1 no hydrogen 3.168 N/A ARG 17.A NH2 ASP 6.A OD2 no hydrogen 2.942 N/A LEU 18.A N GLU 29.A O no hydrogen 2.763 N/A PHE 19.A N ASP 4.A O no hydrogen 3.215 N/A LYS 20.A N LYS 27.A O no hydrogen 3.336 N/A LYS 20.A NZ GLU 22.A OE2 no hydrogen 3.114 N/A LYS 21.A NZ GLY 24.A O no hydrogen 3.022 N/A LYS 21.A NZ ASP 204.A OD1 no hydrogen 3.340 N/A GLU 22.A N LYS 25.A O no hydrogen 2.935 N/A GLY 24.A N GLU 133.A OE1 no hydrogen 3.334 N/A LYS 25.A N GLU 22.A O no hydrogen 3.040 N/A LYS 27.A NZ GLU 22.A OE1 no hydrogen 3.322 N/A GLU 29.A N LEU 18.A O no hydrogen 2.959 N/A ASP 31.A N ILE 16.A O no hydrogen 2.812 N/A ARG 32.A NE GLU 10.A OE1 no hydrogen 2.721 N/A ARG 32.A NH2 GLU 10.A OE1 no hydrogen 3.307 N/A ARG 32.A NH2 GLU 10.A OE2 no hydrogen 3.336 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.831 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.709 N/A TYR 37.A OH ASP 123.A OD2 no hydrogen 2.613 N/A ILE 38.A N LEU 85.A O no hydrogen 2.958 N/A TYR 39.A N PHE 110.A O no hydrogen 3.058 N/A ALA 40.A N TRP 83.A O no hydrogen 2.947 N/A LEU 41.A N ASP 108.A O no hydrogen 2.928 N/A ARG 43.A N ALA 105.A O no hydrogen 3.227 N/A ARG 43.A NE PRO 104.A O no hydrogen 2.902 N/A LYS 47.A N ASP 44.A O no hydrogen 2.856 N/A LYS 47.A NZ GLU 50.A OE1 no hydrogen 3.421 N/A LYS 47.A NZ GLU 50.A OE2 no hydrogen 3.182 N/A ILE 48.A N ASP 45.A O no hydrogen 3.459 N/A VAL 51.A N LYS 47.A O no hydrogen 3.337 N/A LYS 52.A N ILE 48.A O no hydrogen 2.712 N/A LYS 53.A N GLU 50.A O no hydrogen 3.025 N/A ILE 54.A N VAL 51.A O no hydrogen 3.172 N/A GLY 56.A N VAL 63.A O no hydrogen 2.789 N/A GLU 57.A N THR 95.A OG1 no hydrogen 3.330 N/A ARG 58.A N LYS 61.A O no hydrogen 3.003 N/A ARG 58.A NE ASP 92.A OD1 no hydrogen 3.035 N/A ARG 58.A NH2 ASP 92.A OD1 no hydrogen 3.221 N/A VAL 63.A N GLY 56.A O no hydrogen 3.094 N/A ASP 67.A N TYR 86.A O no hydrogen 3.494 N/A GLU 69.A N LYS 84.A O no hydrogen 3.292 N/A VAL 71.A N VAL 82.A O no hydrogen 3.060 N/A LYS 73.A N ILE 80.A O no hydrogen 2.881 N/A LYS 74.A N ASN 365.A O no hydrogen 2.929 N/A LYS 74.A NZ ARG 364.A O no hydrogen 3.173 N/A LYS 74.A NZ GLU 366.A OE1 no hydrogen 3.548 N/A PHE 75.A N LYS 78.A O no hydrogen 2.706 N/A GLY 77.A N GLU 366.A OE2 no hydrogen 2.553 N/A LYS 78.A N PHE 75.A O no hydrogen 3.284 N/A ILE 80.A N LYS 73.A O no hydrogen 3.037 N/A VAL 82.A N VAL 71.A O no hydrogen 3.057 N/A TRP 83.A N ALA 40.A O no hydrogen 2.991 N/A TRP 83.A NE1 ASP 45.A OD1 no hydrogen 2.990 N/A LYS 84.A N GLU 69.A O no hydrogen 2.810 N/A LYS 84.A NZ TYR 86.A OH no hydrogen 3.475 N/A LEU 85.A N ILE 38.A O no hydrogen 2.765 N/A TYR 86.A N ASP 67.A O no hydrogen 3.196 N/A LEU 87.A N PRO 36.A O no hydrogen 2.934 N/A HIS 89.A N ASP 92.A OD2 no hydrogen 2.865 N/A GLN 91.A NE2 TYR 7.A OH no hydrogen 2.689 N/A ASP 92.A N HIS 89.A O no hydrogen 2.982 N/A GLN 93.A N PRO 90.A O no hydrogen 3.254 N/A GLN 93.A NE2 TYR 37.A O no hydrogen 2.811 N/A THR 95.A OG1 GLU 57.A O no hydrogen 3.471 N/A ILE 96.A N ASP 92.A O no hydrogen 3.126 N/A ARG 97.A N GLN 93.A O no hydrogen 3.001 N/A GLU 98.A N PRO 94.A O no hydrogen 3.514 N/A LYS 99.A N THR 95.A O no hydrogen 3.469 N/A LYS 99.A NZ GLU 57.A OE1 no hydrogen 3.290 N/A VAL 100.A N ILE 96.A O no hydrogen 2.934 N/A ARG 101.A N ARG 97.A O no hydrogen 3.014 N/A ARG 101.A NH1 ASP 108.A OD1 no hydrogen 2.730 N/A VAL 106.A N HIS 103.A O no hydrogen 3.265 N/A VAL 107.A N LEU 41.A O no hydrogen 2.847 N/A PHE 110.A N TYR 39.A O no hydrogen 2.990 N/A LYS 118.A N PRO 115.A O no hydrogen 3.175 N/A ARG 119.A N PRO 115.A O no hydrogen 3.124 N/A ARG 119.A NH2 ASP 123.A OD2 no hydrogen 3.276 N/A TYR 120.A N PHE 116.A O no hydrogen 3.281 N/A TYR 120.A OH ASP 31.A OD2 no hydrogen 2.659 N/A LEU 121.A N ALA 117.A O no hydrogen 3.278 N/A ILE 122.A N LYS 118.A O no hydrogen 3.017 N/A ASP 123.A N ARG 119.A O no hydrogen 2.670 N/A LYS 124.A N TYR 120.A O no hydrogen 2.941 N/A GLY 125.A N ILE 122.A O no hydrogen 3.120 N/A LEU 126.A N LEU 121.A O no hydrogen 2.951 N/A MET 129.A N ILE 2.A O no hydrogen 3.090 N/A LYS 136.A N ASP 204.A OD2 no hydrogen 2.924 N/A LYS 136.A NZ LYS 201.A O no hydrogen 3.230 N/A LEU 138.A N ILE 205.A O no hydrogen 3.109 N/A ALA 139.A N ALA 163.A O no hydrogen 3.287 N/A PHE 140.A N VAL 207.A O no hydrogen 3.246 N/A ALA 141.A N SER 161.A O no hydrogen 2.936 N/A ALA 143.A N MET 159.A O no hydrogen 3.138 N/A THR 144.A OG1 TYR 218.A OH no hydrogen 2.676 N/A LEU 145.A N PRO 156.A O no hydrogen 3.073 N/A GLU 150.A N HIS 147.A O no hydrogen 3.197 N/A ILE 157.A N GLU 187.A OE2 no hydrogen 2.979 N/A ILE 158.A N ALA 143.A O no hydrogen 2.808 N/A ILE 160.A N ILE 171.A O no hydrogen 3.046 N/A SER 161.A N ALA 141.A O no hydrogen 2.797 N/A SER 161.A OG ALA 141.A O no hydrogen 3.074 N/A SER 161.A OG SER 312.A O no hydrogen 2.788 N/A SER 161.A OG SER 312.A OG no hydrogen 3.118 N/A TYR 162.A N LYS 169.A O no hydrogen 3.064 N/A TYR 162.A OH GLU 182.A OE2 no hydrogen 2.737 N/A ALA 163.A N ALA 139.A O no hydrogen 2.934 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.672 N/A LYS 169.A N TYR 162.A O no hydrogen 3.014 N/A VAL 170.A N TYR 180.A O no hydrogen 3.089 N/A ILE 171.A N ILE 160.A O no hydrogen 2.964 N/A THR 172.A N GLU 182.A O no hydrogen 3.150 N/A THR 172.A OG1 ILE 158.A O no hydrogen 3.339 N/A TRP 173.A NE1 ILE 157.A O no hydrogen 3.082 N/A GLU 182.A N VAL 170.A O no hydrogen 2.865 N/A MET 190.A N SER 186.A O no hydrogen 2.986 N/A ILE 191.A N GLU 187.A O no hydrogen 3.118 N/A LYS 192.A N ARG 188.A O no hydrogen 3.212 N/A LYS 192.A NZ GLU 189.A OE1 no hydrogen 3.182 N/A LYS 192.A NZ GLU 189.A OE2 no hydrogen 3.485 N/A ARG 193.A N GLU 189.A O no hydrogen 3.046 N/A ARG 193.A NE GLU 182.A OE1 no hydrogen 3.319 N/A PHE 194.A N MET 190.A O no hydrogen 3.022 N/A LEU 195.A N ILE 191.A O no hydrogen 3.094 N/A ARG 196.A N LYS 192.A O no hydrogen 3.026 N/A ILE 197.A N ARG 193.A O no hydrogen 2.796 N/A ILE 198.A N PHE 194.A O no hydrogen 2.963 N/A ARG 199.A N LEU 195.A O no hydrogen 3.043 N/A GLU 200.A N ARG 196.A O no hydrogen 2.802 N/A LYS 201.A N ILE 197.A O no hydrogen 2.936 N/A LYS 201.A NZ ASP 164.A OD2 no hydrogen 2.684 N/A LYS 201.A NZ GLU 167.A OE2 no hydrogen 2.672 N/A ASP 202.A N ILE 198.A O no hydrogen 2.839 N/A ASP 204.A N LYS 136.A O no hydrogen 2.731 N/A ILE 205.A N LYS 136.A O no hydrogen 3.026 N/A ILE 206.A N ILE 256.A O no hydrogen 2.909 N/A VAL 207.A N LEU 138.A O no hydrogen 2.941 N/A THR 208.A N PHE 258.A O no hydrogen 2.949 N/A TYR 209.A OH TYR 273.A O no hydrogen 2.657 N/A ASN 210.A N ASP 259.A OD1 no hydrogen 2.690 N/A ASP 212.A N ASP 259.A OD2 no hydrogen 2.820 N/A PHE 214.A N ASN 210.A O no hydrogen 2.981 N/A PHE 216.A N GLY 211.A O no hydrogen 3.211 N/A TYR 218.A N PHE 214.A O no hydrogen 3.009 N/A TYR 218.A OH GLY 155.A O no hydrogen 2.687 N/A LEU 219.A N ASP 215.A O no hydrogen 3.171 N/A ALA 220.A N PHE 216.A O no hydrogen 2.951 N/A LYS 221.A N PRO 217.A O no hydrogen 3.298 N/A ARG 222.A N TYR 218.A O no hydrogen 3.103 N/A ARG 222.A NE GLU 187.A OE2 no hydrogen 2.743 N/A ARG 222.A NH1 GLY 153.A O no hydrogen 2.845 N/A ARG 222.A NH2 GLU 187.A OE1 no hydrogen 2.833 N/A ARG 222.A NH2 GLU 187.A OE2 no hydrogen 3.329 N/A ALA 223.A N LEU 219.A O no hydrogen 2.734 N/A GLU 224.A N ALA 220.A O no hydrogen 2.988 N/A LYS 225.A N LYS 221.A O no hydrogen 3.316 N/A LEU 226.A N ARG 222.A O no hydrogen 2.852 N/A GLY 227.A N GLU 224.A O no hydrogen 3.225 N/A ILE 228.A N ALA 223.A O no hydrogen 2.766 N/A LEU 230.A N GLU 238.A OE2 no hydrogen 2.983 N/A ILE 232.A N LEU 230.A O no hydrogen 2.715 N/A GLY 233.A N SER 237.A O no hydrogen 2.982 N/A ARG 234.A N LYS 253.A O no hydrogen 2.929 N/A ARG 234.A NE ASP 202.A OD1 no hydrogen 3.081 N/A ARG 234.A NH1 ASP 204.A OD1 no hydrogen 3.022 N/A ARG 234.A NH2 ASP 202.A O no hydrogen 3.463 N/A ARG 234.A NH2 ASP 202.A OD1 no hydrogen 3.500 N/A ARG 234.A NH2 ASP 204.A OD1 no hydrogen 2.564 N/A GLY 236.A N GLY 233.A O no hydrogen 2.950 N/A LYS 240.A N GLU 251.A O no hydrogen 2.947 N/A GLN 242.A N ALA 249.A O no hydrogen 3.094 N/A ARG 243.A NH1 ASP 246.A O no hydrogen 2.927 N/A ILE 244.A N MET 247.A O no hydrogen 3.295 N/A ALA 249.A N GLN 242.A O no hydrogen 3.037 N/A GLU 251.A N LYS 240.A O no hydrogen 2.693 N/A LYS 253.A NZ ASP 6.A OD2 no hydrogen 2.638 N/A LYS 253.A NZ GLU 251.A OE2 no hydrogen 3.257 N/A ARG 255.A N VAL 252.A O no hydrogen 3.336 N/A ARG 255.A NE ILE 232.A O no hydrogen 2.817 N/A ARG 255.A NH1 ASP 202.A OD1 no hydrogen 2.892 N/A ARG 255.A NH1 PRO 203.A O no hydrogen 2.524 N/A ARG 255.A NH2 ASP 202.A OD1 no hydrogen 3.046 N/A ILE 256.A N ASP 204.A O no hydrogen 3.028 N/A PHE 258.A N ILE 206.A O no hydrogen 2.728 N/A LEU 260.A N THR 208.A O no hydrogen 2.837 N/A TYR 261.A N ASP 259.A OD1 no hydrogen 3.224 N/A HIS 262.A NE2 ASP 212.A OD2 no hydrogen 2.867 N/A ILE 264.A N LEU 260.A O no hydrogen 2.758 N/A THR 265.A N TYR 261.A O no hydrogen 3.302 N/A THR 265.A OG1 TYR 261.A O no hydrogen 3.119 N/A THR 265.A OG1 HIS 262.A O no hydrogen 2.927 N/A THR 267.A N ILE 264.A O no hydrogen 2.724 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.655 N/A ILE 268.A N ILE 264.A O no hydrogen 3.326 N/A TYR 273.A OH ILE 268.A O no hydrogen 3.296 N/A THR 274.A OG1 GLU 276.A OE1 no hydrogen 3.504 N/A ALA 277.A N THR 274.A OG1 no hydrogen 3.355 N/A VAL 278.A N THR 274.A O no hydrogen 3.123 N/A TYR 279.A N LEU 275.A O no hydrogen 3.230 N/A TYR 279.A OH GLU 321.A OE1 no hydrogen 3.192 N/A GLU 280.A N GLU 276.A O no hydrogen 3.376 N/A ALA 281.A N ALA 277.A O no hydrogen 3.160 N/A ILE 282.A N TYR 279.A O no hydrogen 3.342 N/A PHE 283.A N TYR 279.A O no hydrogen 3.136 N/A LYS 287.A N GLU 280.A OE2 no hydrogen 3.225 N/A LYS 287.A NZ GLU 276.A OE2 no hydrogen 3.174 N/A LYS 287.A NZ ASP 315.A OD1 no hydrogen 2.888 N/A ILE 295.A N TYR 291.A O no hydrogen 2.988 N/A ALA 296.A N ALA 292.A O no hydrogen 3.162 N/A ALA 298.A N GLU 294.A O no hydrogen 3.376 N/A TRP 299.A N ILE 295.A O no hydrogen 2.829 N/A GLU 300.A N ALA 296.A O no hydrogen 3.221 N/A SER 301.A N LYS 297.A O no hydrogen 2.829 N/A SER 301.A OG LYS 297.A O no hydrogen 3.007 N/A GLY 302.A N ALA 298.A O no hydrogen 2.984 N/A GLU 303.A N SER 301.A OG no hydrogen 3.424 N/A ALA 309.A N LEU 305.A O no hydrogen 3.211 N/A LYS 310.A NZ GLU 314.A OE2 no hydrogen 2.825 N/A TYR 311.A N ARG 307.A O no hydrogen 2.835 N/A SER 312.A N VAL 308.A O no hydrogen 3.115 N/A SER 312.A OG SER 161.A OG no hydrogen 3.118 N/A MET 313.A N ALA 309.A O no hydrogen 2.992 N/A GLU 314.A N LYS 310.A O no hydrogen 3.137 N/A ASP 315.A N TYR 311.A O no hydrogen 3.067 N/A ALA 316.A N SER 312.A O no hydrogen 3.420 N/A LYS 317.A N MET 313.A O no hydrogen 3.012 N/A ALA 318.A N GLU 314.A O no hydrogen 2.583 N/A THR 319.A N ASP 315.A O no hydrogen 2.784 N/A THR 319.A OG1 ASP 315.A O no hydrogen 2.841 N/A TYR 320.A N ALA 316.A O no hydrogen 2.964 N/A GLU 321.A N LYS 317.A O no hydrogen 3.173 N/A LEU 322.A N ALA 318.A O no hydrogen 2.911 N/A GLY 323.A N THR 319.A O no hydrogen 2.788 N/A LYS 324.A N TYR 320.A O no hydrogen 2.752 N/A GLU 325.A N GLU 321.A O no hydrogen 3.130 N/A GLU 325.A N LEU 322.A O no hydrogen 2.895 N/A PHE 326.A N LEU 322.A O no hydrogen 3.005 N/A GLU 330.A N PHE 326.A O no hydrogen 3.352 N/A ILE 331.A N LEU 327.A O no hydrogen 2.621 N/A GLN 332.A N PRO 328.A O no hydrogen 2.983 N/A LEU 333.A N MET 329.A O no hydrogen 3.076 N/A SER 334.A N GLU 330.A O no hydrogen 3.073 N/A SER 334.A OG GLU 330.A O no hydrogen 2.778 N/A ARG 335.A N ILE 331.A O no hydrogen 2.922 N/A LEU 336.A N GLN 332.A O no hydrogen 2.893 N/A ILE 337.A N LEU 333.A O no hydrogen 2.706 N/A GLY 338.A N SER 334.A O no hydrogen 2.736 N/A GLN 339.A N SER 334.A O no hydrogen 3.229 N/A TRP 342.A NE1 VAL 250.A O no hydrogen 2.793 N/A ASP 343.A N PRO 340.A O no hydrogen 3.095 N/A VAL 344.A N PRO 340.A O no hydrogen 3.196 N/A SER 345.A N LEU 341.A O no hydrogen 2.829 N/A SER 345.A OG LEU 341.A O no hydrogen 3.028 N/A SER 345.A OG TRP 342.A O no hydrogen 2.788 N/A ARG 346.A N ASP 343.A O no hydrogen 2.812 N/A ARG 346.A NE ASP 212.A OD2 no hydrogen 2.750 N/A ARG 346.A NH1 HIS 257.A O no hydrogen 3.008 N/A ARG 346.A NH1 TRP 342.A O no hydrogen 2.820 N/A ARG 346.A NH2 ASP 212.A OD1 no hydrogen 3.017 N/A ARG 346.A NH2 ASP 212.A OD2 no hydrogen 3.420 N/A ARG 346.A NH2 HIS 257.A O no hydrogen 3.119 N/A SER 347.A N VAL 344.A O no hydrogen 3.066 N/A SER 347.A OG SER 348.A O no hydrogen 3.314 N/A SER 348.A OG ASN 351.A OD1 no hydrogen 3.418 N/A LEU 352.A N SER 348.A O no hydrogen 2.919 N/A VAL 353.A N THR 349.A O no hydrogen 3.060 N/A GLU 354.A N GLY 350.A O no hydrogen 3.042 N/A TRP 355.A N ASN 351.A O no hydrogen 2.869 N/A PHE 356.A N LEU 352.A O no hydrogen 3.028 N/A LEU 357.A N VAL 353.A O no hydrogen 2.849 N/A LEU 358.A N GLU 354.A O no hydrogen 2.961 N/A ARG 359.A N TRP 355.A O no hydrogen 3.151 N/A ARG 359.A NE ILE 337.A O no hydrogen 3.101 N/A ARG 359.A NH1 LEU 121.A O no hydrogen 3.341 N/A ARG 359.A NH2 LEU 126.A O no hydrogen 3.268 N/A ARG 359.A NH2 GLY 338.A O no hydrogen 2.483 N/A LYS 360.A N PHE 356.A O no hydrogen 3.193 N/A ALA 361.A N LEU 357.A O no hydrogen 2.515 N/A TYR 362.A N LEU 358.A O no hydrogen 2.984 N/A GLU 363.A N ARG 359.A O no hydrogen 3.030 N/A ARG 364.A N LYS 360.A O no hydrogen 3.040 N/A ASN 365.A N TYR 362.A O no hydrogen 2.855 N/A ASN 365.A ND2 GLU 72.A O no hydrogen 2.986 N/A GLU 366.A N ALA 361.A O no hydrogen 2.655 N/A VAL 367.A N LYS 74.A O no hydrogen 2.936 N/A ALA 368.A N GLU 111.A OE2 no hydrogen 2.887 N/A ASN 370.A ND2 ILE 109.A O no hydrogen 2.836 N/A GLU 376.A N SER 373.A OG no hydrogen 3.103 N/A TYR 377.A N SER 373.A O no hydrogen 2.822 N/A GLN 378.A N GLU 374.A O no hydrogen 3.103 N/A ARG 379.A N GLU 375.A O no hydrogen 2.756 N/A ARG 379.A NH1 GLU 376.A OE1 no hydrogen 3.248 N/A ARG 380.A N GLU 376.A O no hydrogen 2.652 N/A ARG 380.A NE GLU 376.A OE2 no hydrogen 3.547 N/A ARG 380.A NH1 ALA 501.A O no hydrogen 2.867 N/A ARG 380.A NH1 ALA 503.A O no hydrogen 2.854 N/A LEU 381.A N TYR 377.A O no hydrogen 3.146 N/A ARG 382.A N GLN 378.A O no hydrogen 3.269 N/A SER 384.A OG TYR 385.A O no hydrogen 3.566 N/A TYR 385.A OH TYR 495.A OH no hydrogen 2.748 N/A LYS 391.A N ILE 540.A O no hydrogen 3.257 N/A LYS 391.A NZ GLU 392.A O no hydrogen 2.733 N/A LYS 391.A NZ GLU 394.A OE2 no hydrogen 2.982 N/A GLU 394.A N LEU 538.A O no hydrogen 2.778 N/A TRP 398.A N GLY 587.A O no hydrogen 2.990 N/A TRP 398.A NE1 GLU 394.A O no hydrogen 2.935 N/A ASP 400.A N LYS 585.A O no hydrogen 2.768 N/A ILE 401.A N TYR 584.A O no hydrogen 2.827 N/A VAL 402.A N ALA 547.A O no hydrogen 3.002 N/A TYR 403.A N GLY 582.A O no hydrogen 3.036 N/A LEU 404.A N LEU 545.A O no hydrogen 3.078 N/A ASP 405.A N GLU 579.A O no hydrogen 3.344 N/A PHE 406.A N ASP 543.A O no hydrogen 3.019 N/A ILE 407.A N GLU 577.A O no hydrogen 3.003 N/A SER 412.A N ALA 408.A O no hydrogen 2.993 N/A SER 412.A OG ALA 408.A O no hydrogen 2.723 N/A SER 412.A OG LEU 409.A O no hydrogen 2.449 N/A ILE 413.A N LEU 409.A O no hydrogen 2.841 N/A ILE 414.A N TYR 410.A O no hydrogen 2.825 N/A ILE 415.A N PRO 411.A O no hydrogen 2.845 N/A THR 416.A N SER 412.A O no hydrogen 2.948 N/A THR 416.A OG1 SER 412.A O no hydrogen 2.666 N/A HIS 417.A N ILE 413.A O no hydrogen 2.929 N/A HIS 417.A NE2 TYR 521.A OH no hydrogen 2.629 N/A ASN 418.A N ILE 415.A O no hydrogen 3.121 N/A ASN 418.A ND2 CYS 443.A O no hydrogen 2.678 N/A ASN 418.A ND2 ILE 446.A O no hydrogen 3.093 N/A VAL 419.A N ILE 414.A O no hydrogen 3.032 N/A SER 420.A OG ASP 422.A OD1 no hydrogen 2.687 N/A SER 420.A OG THR 423.A OG1 no hydrogen 3.341 N/A THR 423.A N SER 420.A O no hydrogen 3.193 N/A THR 423.A OG1 ASN 418.A O no hydrogen 2.749 N/A THR 423.A OG1 SER 420.A O no hydrogen 3.249 N/A THR 423.A OG1 SER 420.A OG no hydrogen 3.341 N/A LEU 424.A N PRO 421.A O no hydrogen 3.252 N/A ASN 425.A N LYS 441.A O no hydrogen 2.964 N/A CYS 429.A SG ASN 431.A O no hydrogen 3.284 N/A CYS 429.A SG ASP 445.A OD2 no hydrogen 3.281 N/A LYS 430.A N ASP 445.A OD2 no hydrogen 3.066 N/A ASN 431.A N ASP 445.A OD1 no hydrogen 3.209 N/A ASP 433.A N PHE 442.A O no hydrogen 3.208 N/A ALA 435.A N HIS 440.A O no hydrogen 2.829 N/A VAL 438.A N PRO 436.A O no hydrogen 2.750 N/A GLY 439.A N ALA 435.A O no hydrogen 2.766 N/A HIS 440.A NE2 GLU 512.A OE1 no hydrogen 3.034 N/A LYS 441.A N ASN 425.A OD1 no hydrogen 3.132 N/A PHE 442.A N ASP 433.A O no hydrogen 2.961 N/A CYS 443.A N THR 423.A O no hydrogen 3.080 N/A LYS 444.A N ASN 431.A O no hydrogen 2.966 N/A LYS 444.A NZ THR 416.A O no hydrogen 3.416 N/A LYS 444.A NZ ASP 433.A OD2 no hydrogen 3.238 N/A GLY 448.A N ASN 418.A OD1 no hydrogen 2.796 N/A PHE 449.A N ASP 422.A OD1 no hydrogen 3.379 N/A PHE 449.A N ASP 422.A OD2 no hydrogen 2.687 N/A SER 452.A N GLY 448.A O no hydrogen 2.895 N/A LEU 453.A N PHE 449.A O no hydrogen 3.200 N/A LEU 454.A N ILE 450.A O no hydrogen 2.983 N/A GLY 455.A N PRO 451.A O no hydrogen 3.007 N/A HIS 456.A N SER 452.A O no hydrogen 3.230 N/A LEU 457.A N LEU 453.A O no hydrogen 3.017 N/A LEU 458.A N LEU 454.A O no hydrogen 2.824 N/A GLU 459.A N GLY 455.A O no hydrogen 2.788 N/A GLU 460.A N HIS 456.A O no hydrogen 2.929 N/A ARG 461.A N LEU 457.A O no hydrogen 2.761 N/A ARG 461.A NE GLN 484.A O no hydrogen 3.270 N/A GLN 462.A N LEU 458.A O no hydrogen 2.797 N/A LYS 463.A N GLU 459.A O no hydrogen 2.884 N/A ILE 464.A N GLU 460.A O no hydrogen 2.897 N/A LYS 465.A N ARG 461.A O no hydrogen 3.043 N/A THR 466.A N GLN 462.A O no hydrogen 3.430 N/A THR 466.A OG1 GLN 462.A O no hydrogen 3.368 N/A LYS 467.A N LYS 463.A O no hydrogen 3.094 N/A LYS 467.A NZ GLU 476.A OE1 no hydrogen 3.104 N/A MET 468.A N ILE 464.A O no hydrogen 2.729 N/A LYS 469.A N LYS 465.A O no hydrogen 3.234 N/A GLU 470.A N THR 466.A O no hydrogen 3.289 N/A GLU 470.A N LYS 467.A O no hydrogen 3.200 N/A ILE 478.A N ILE 475.A O no hydrogen 3.102 N/A LEU 479.A N ILE 475.A O no hydrogen 3.388 N/A LEU 480.A N GLU 476.A O no hydrogen 2.748 N/A ASP 481.A N LYS 477.A O no hydrogen 3.204 N/A TYR 482.A N ILE 478.A O no hydrogen 3.220 N/A ARG 483.A N LEU 479.A O no hydrogen 3.173 N/A GLN 484.A N LEU 480.A O no hydrogen 2.924 N/A LYS 485.A N ASP 481.A O no hydrogen 3.015 N/A LYS 485.A NZ ASP 481.A OD2 no hydrogen 3.475 N/A ALA 486.A N TYR 482.A O no hydrogen 2.921 N/A ILE 487.A N ARG 483.A O no hydrogen 3.016 N/A LYS 488.A N GLN 484.A O no hydrogen 3.267 N/A LEU 489.A N LYS 485.A O no hydrogen 3.085 N/A LEU 490.A N ALA 486.A O no hydrogen 2.980 N/A ALA 491.A N ILE 487.A O no hydrogen 2.701 N/A ASN 492.A N LYS 488.A O no hydrogen 2.999 N/A SER 493.A N LEU 490.A O no hydrogen 2.931 N/A SER 493.A OG LEU 489.A O no hydrogen 2.449 N/A SER 493.A OG LEU 490.A O no hydrogen 3.484 N/A TYR 495.A OH THR 515.A OG1 no hydrogen 3.303 N/A TYR 497.A N SER 493.A O no hydrogen 3.014 N/A TYR 497.A OH GLU 354.A OE1 no hydrogen 2.420 N/A TYR 498.A N PHE 494.A O no hydrogen 2.965 N/A TYR 498.A OH VAL 419.A O no hydrogen 2.643 N/A GLY 499.A N GLY 496.A O no hydrogen 3.281 N/A TYR 500.A N TYR 497.A O no hydrogen 2.894 N/A LYS 502.A NZ TYR 500.A OH no hydrogen 3.383 N/A ALA 503.A N TYR 500.A O no hydrogen 2.903 N/A ARG 504.A N GLU 354.A OE2 no hydrogen 3.295 N/A ARG 504.A NH1 PRO 369.A O no hydrogen 2.818 N/A ARG 504.A NH2 ASP 113.A OD1 no hydrogen 3.076 N/A TRP 505.A N TYR 497.A OH no hydrogen 3.032 N/A TYR 506.A N ALA 503.A O no hydrogen 3.318 N/A TYR 506.A OH GLU 383.A OE1 no hydrogen 2.673 N/A CYS 507.A N TYR 498.A O no hydrogen 2.739 N/A LYS 508.A NZ GLU 512.A OE2 no hydrogen 3.408 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.500 N/A CYS 510.A N CYS 507.A O no hydrogen 2.806 N/A ALA 511.A N CYS 507.A O no hydrogen 3.051 N/A GLU 512.A N LYS 508.A O no hydrogen 2.820 N/A SER 513.A N GLU 509.A O no hydrogen 3.212 N/A SER 513.A OG GLU 509.A O no hydrogen 2.644 N/A VAL 514.A N CYS 510.A O no hydrogen 3.039 N/A THR 515.A N ALA 511.A O no hydrogen 3.145 N/A THR 515.A OG1 TYR 495.A OH no hydrogen 3.303 N/A ALA 516.A N GLU 512.A O no hydrogen 2.843 N/A TRP 517.A N SER 513.A O no hydrogen 2.799 N/A GLY 518.A N VAL 514.A O no hydrogen 2.933 N/A ARG 519.A N THR 515.A O no hydrogen 3.113 N/A ARG 519.A NH1 GLY 387.A O no hydrogen 2.881 N/A LYS 520.A N ALA 516.A O no hydrogen 3.204 N/A TYR 521.A N TRP 517.A O no hydrogen 2.960 N/A TYR 521.A OH HIS 417.A NE2 no hydrogen 2.629 N/A ILE 522.A N GLY 518.A O no hydrogen 2.991 N/A GLU 523.A N ARG 519.A O no hydrogen 2.864 N/A LEU 524.A N LYS 520.A O no hydrogen 2.911 N/A VAL 525.A N TYR 521.A O no hydrogen 3.403 N/A TRP 526.A N ILE 522.A O no hydrogen 3.044 N/A LYS 527.A N GLU 523.A O no hydrogen 3.078 N/A GLU 528.A N LEU 524.A O no hydrogen 2.747 N/A LEU 529.A N VAL 525.A O no hydrogen 2.675 N/A LEU 529.A N TRP 526.A O no hydrogen 3.199 N/A GLU 530.A N TRP 526.A O no hydrogen 3.314 N/A GLU 531.A N LYS 527.A O no hydrogen 3.114 N/A GLY 534.A N GLU 530.A O no hydrogen 2.826 N/A PHE 535.A N LEU 529.A O no hydrogen 3.383 N/A LYS 536.A N THR 548.A O no hydrogen 2.569 N/A VAL 537.A N GLU 530.A OE2 no hydrogen 3.061 N/A LEU 538.A N HIS 546.A O no hydrogen 2.877 N/A ASP 541.A N GLY 544.A O no hydrogen 3.206 N/A THR 542.A N PHE 389.A O no hydrogen 2.895 N/A THR 542.A OG1 ASP 541.A OD1 no hydrogen 3.002 N/A ASP 543.A N ASP 541.A O no hydrogen 2.536 N/A LEU 545.A N LEU 404.A O no hydrogen 2.760 N/A HIS 546.A N TYR 539.A O no hydrogen 2.817 N/A ALA 547.A N VAL 402.A O no hydrogen 3.003 N/A THR 548.A N LYS 536.A O no hydrogen 3.273 N/A THR 548.A OG1 ASP 399.A O no hydrogen 3.470 N/A THR 548.A OG1 ASP 400.A O no hydrogen 2.964 N/A GLY 552.A N ILE 549.A O no hydrogen 2.646 N/A GLU 556.A N GLU 553.A O no hydrogen 3.154 N/A ILE 557.A N GLU 553.A O no hydrogen 3.044 N/A LYS 558.A N SER 554.A O no hydrogen 3.123 N/A LYS 558.A NZ GLU 555.A OE2 no hydrogen 3.131 N/A LYS 558.A NZ GLU 600.A OE2 no hydrogen 2.767 N/A LYS 559.A N GLU 555.A O no hydrogen 3.153 N/A LYS 559.A NZ GLU 556.A OE2 no hydrogen 3.058 N/A LYS 560.A N GLU 556.A O no hydrogen 2.885 N/A LYS 560.A NZ GLU 563.A OE1 no hydrogen 3.417 N/A ALA 561.A N ILE 557.A O no hydrogen 3.022 N/A LEU 562.A N LYS 558.A O no hydrogen 3.012 N/A GLU 563.A N LYS 559.A O no hydrogen 3.297 N/A PHE 564.A N LYS 560.A O no hydrogen 2.831 N/A VAL 565.A N ALA 561.A O no hydrogen 3.254 N/A LYS 566.A N LEU 562.A O no hydrogen 3.198 N/A TYR 567.A N GLU 563.A O no hydrogen 3.067 N/A TYR 567.A N PHE 564.A O no hydrogen 3.294 N/A TYR 567.A OH GLU 528.A OE2 no hydrogen 2.642 N/A ILE 568.A N PHE 564.A O no hydrogen 2.849 N/A ASN 569.A N VAL 565.A O no hydrogen 3.362 N/A ASN 569.A ND2 LEU 578.A O no hydrogen 3.122 N/A SER 570.A N TYR 567.A O no hydrogen 3.177 N/A SER 570.A OG TYR 567.A O no hydrogen 2.546 N/A LYS 571.A N ILE 568.A O no hydrogen 2.766 N/A LEU 572.A N ASN 569.A O no hydrogen 3.262 N/A LEU 576.A N PRO 573.A O no hydrogen 3.229 N/A LEU 578.A N ASN 569.A OD1 no hydrogen 2.731 N/A GLU 579.A N ASP 405.A O no hydrogen 2.952 N/A GLU 581.A N TYR 403.A O no hydrogen 2.944 N/A TYR 584.A N ILE 401.A O no hydrogen 2.888 N/A TYR 584.A OH GLU 581.A OE1 no hydrogen 3.165 N/A LYS 585.A NZ ASP 400.A OD1 no hydrogen 3.384 N/A LYS 585.A NZ ASP 400.A OD2 no hydrogen 3.098 N/A LYS 585.A NZ LYS 585.A O no hydrogen 3.561 N/A PHE 588.A N ALA 596.A O no hydrogen 2.668 N/A PHE 589.A N GLY 396.A O no hydrogen 3.418 N/A VAL 590.A N ARG 594.A O no hydrogen 3.152 N/A THR 591.A N ARG 594.A O no hydrogen 3.108 N/A THR 591.A OG1 LYS 592.A O no hydrogen 3.076 N/A LYS 592.A NZ VAL 390.A O no hydrogen 3.277 N/A LYS 593.A N TYR 539.A OH no hydrogen 2.794 N/A LYS 593.A NZ ASP 541.A OD1 no hydrogen 2.699 N/A LYS 593.A NZ ASP 541.A OD2 no hydrogen 2.672 N/A ARG 594.A N THR 591.A O no hydrogen 3.268 N/A ARG 594.A NH2 GLU 610.A OE1 no hydrogen 2.996 N/A TYR 595.A N ARG 607.A O no hydrogen 2.978 N/A ALA 596.A N PHE 588.A O no hydrogen 2.850 N/A VAL 597.A N ILE 605.A O no hydrogen 3.050 N/A ILE 598.A N ARG 586.A O no hydrogen 3.216 N/A ASP 599.A N LYS 603.A O no hydrogen 2.993 N/A GLY 602.A N ASP 599.A O no hydrogen 3.236 N/A LYS 603.A N ASP 599.A OD1 no hydrogen 2.908 N/A ILE 605.A N VAL 597.A O no hydrogen 2.936 N/A ARG 607.A N TYR 595.A O no hydrogen 2.907 N/A GLU 610.A N GLU 610.A OE1 no hydrogen 2.641 N/A ILE 611.A N GLN 624.A OE1 no hydrogen 3.158 N/A VAL 612.A N LEU 609.A O no hydrogen 3.206 N/A ARG 613.A N GLU 610.A O no hydrogen 3.049 N/A ARG 613.A NE ASP 615.A OD1 no hydrogen 3.277 N/A ARG 613.A NH2 ASP 615.A OD1 no hydrogen 3.529 N/A ARG 613.A NH2 ASP 615.A OD2 no hydrogen 3.189 N/A SER 617.A OG LYS 660.A O no hydrogen 2.514 N/A ILE 619.A N SER 617.A OG no hydrogen 3.423 N/A ILE 619.A N LYS 660.A O no hydrogen 3.031 N/A ALA 620.A N SER 617.A O no hydrogen 2.888 N/A LYS 621.A N SER 617.A O no hydrogen 3.124 N/A LYS 621.A NZ ARG 613.A O no hydrogen 2.693 N/A GLU 622.A N GLU 618.A O no hydrogen 2.866 N/A THR 623.A N ILE 619.A O no hydrogen 3.140 N/A THR 623.A OG1 ILE 619.A O no hydrogen 2.676 N/A GLN 624.A N ALA 620.A O no hydrogen 3.134 N/A GLN 624.A NE2 GLU 610.A OE1 no hydrogen 3.273 N/A GLN 624.A NE2 ALA 737.A O no hydrogen 2.903 N/A ALA 625.A N LYS 621.A O no hydrogen 2.984 N/A ARG 626.A N GLU 622.A O no hydrogen 3.251 N/A VAL 627.A N THR 623.A O no hydrogen 3.081 N/A LEU 628.A N GLN 624.A O no hydrogen 2.955 N/A GLU 629.A N ALA 625.A O no hydrogen 2.890 N/A THR 630.A N ARG 626.A O no hydrogen 3.068 N/A THR 630.A OG1 ASP 636.A O no hydrogen 3.116 N/A ILE 631.A N LEU 628.A O no hydrogen 2.867 N/A LEU 632.A N LEU 628.A O no hydrogen 2.784 N/A LYS 633.A N GLU 629.A O no hydrogen 3.112 N/A ASP 636.A N THR 630.A O no hydrogen 3.399 N/A ASP 636.A N HIS 634.A O no hydrogen 2.832 N/A ALA 640.A N ASP 636.A O no hydrogen 3.107 N/A VAL 641.A N VAL 637.A O no hydrogen 3.279 N/A ILE 643.A N GLU 639.A O no hydrogen 2.734 N/A LYS 645.A N VAL 641.A O no hydrogen 3.256 N/A GLU 646.A N ARG 642.A O no hydrogen 2.830 N/A VAL 647.A N VAL 644.A O no hydrogen 3.141 N/A ILE 648.A N VAL 644.A O no hydrogen 3.248 N/A LYS 650.A N GLU 646.A O no hydrogen 3.406 N/A LEU 651.A N VAL 647.A O no hydrogen 2.886 N/A ALA 652.A N ILE 648.A O no hydrogen 2.865 N/A ASN 653.A N GLN 649.A O no hydrogen 2.699 N/A TYR 654.A OH TYR 724.A O no hydrogen 3.027 N/A GLU 655.A N LYS 650.A O no hydrogen 2.830 N/A LYS 660.A N PRO 658.A O no hydrogen 2.634 N/A LYS 660.A NZ GLU 622.A OE1 no hydrogen 2.739 N/A ALA 662.A N GLU 659.A O no hydrogen 3.202 N/A GLU 665.A N ILE 700.A O no hydrogen 3.245 N/A ILE 667.A N MET 698.A O no hydrogen 3.099 N/A THR 668.A N TYR 674.A OH no hydrogen 3.297 N/A GLU 673.A N PRO 670.A O no hydrogen 2.931 N/A ALA 682.A N GLY 678.A O no hydrogen 3.232 N/A ALA 684.A N HIS 680.A O no hydrogen 3.494 N/A LYS 685.A N VAL 681.A O no hydrogen 2.770 N/A LEU 687.A N VAL 683.A O no hydrogen 3.181 N/A ALA 688.A N ALA 684.A O no hydrogen 3.335 N/A ALA 689.A N LYS 685.A O no hydrogen 3.243 N/A LYS 690.A N LEU 687.A O no hydrogen 2.930 N/A GLY 691.A N ALA 688.A O no hydrogen 3.211 N/A VAL 692.A N LEU 687.A O no hydrogen 3.262 N/A GLY 697.A N ILE 667.A O no hydrogen 2.872 N/A MET 698.A N LYS 695.A O no hydrogen 3.342 N/A TYR 702.A N ILE 663.A O no hydrogen 3.039 N/A TYR 702.A OH GLU 665.A OE1 no hydrogen 3.080 N/A ILE 703.A N ILE 716.A O no hydrogen 2.804 N/A VAL 704.A N TYR 729.A OH no hydrogen 3.100 N/A LEU 705.A N ARG 714.A O no hydrogen 3.106 N/A SER 712.A OG ASN 713.A OD1 no hydrogen 3.317 N/A ARG 714.A NH1 GLY 709.A O no hydrogen 3.281 N/A ARG 714.A NH2 ASP 725.A OD2 no hydrogen 2.929 N/A ALA 715.A N SER 712.A O no hydrogen 3.281 N/A ILE 716.A N ILE 703.A O no hydrogen 2.871 N/A ALA 718.A N GLY 701.A O no hydrogen 2.748 N/A TYR 724.A OH LEU 651.A O no hydrogen 3.218 N/A GLU 727.A N ASP 725.A OD1 no hydrogen 3.231 N/A TYR 728.A N ASP 725.A O no hydrogen 3.221 N/A TYR 729.A N ASP 725.A O no hydrogen 3.475 N/A TYR 729.A OH LEU 661.A O no hydrogen 2.590 N/A ILE 730.A N ALA 726.A O no hydrogen 3.339 N/A GLU 731.A N GLU 727.A O no hydrogen 2.981 N/A ASN 732.A N TYR 728.A O no hydrogen 2.876 N/A GLN 733.A N ILE 730.A O no hydrogen 3.523 N/A VAL 734.A N TYR 729.A O no hydrogen 3.059 N/A LEU 735.A N ILE 730.A O no hydrogen 2.886 N/A ALA 737.A N GLN 733.A O no hydrogen 2.961 N/A VAL 738.A N VAL 734.A O no hydrogen 2.912 N/A LEU 739.A N LEU 735.A O no hydrogen 2.730 N/A ARG 740.A N PRO 736.A O no hydrogen 3.290 N/A ARG 740.A NH1 PRO 736.A O no hydrogen 2.565 N/A ILE 741.A N VAL 738.A O no hydrogen 3.350 N/A LEU 742.A N VAL 738.A O no hydrogen 3.279 N/A GLU 743.A N LEU 739.A O no hydrogen 2.594 N/A PHE 745.A N LEU 742.A O no hydrogen 3.014 N/A GLY 746.A N GLU 743.A O no hydrogen 2.961 N/A TYR 747.A N LEU 742.A O no hydrogen 3.248 N/A