Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j6m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N SER 22.A O no hydrogen 3.031 N/A ASP 4.A N TYR 9.A OH no hydrogen 2.614 N/A ASP 6.A N VAL 120.A O no hydrogen 2.775 N/A TYR 9.A N LEU 118.A O no hydrogen 2.705 N/A VAL 13.A N ALA 114.A O no hydrogen 3.147 N/A LEU 15.A N ALA 110.A O no hydrogen 3.190 N/A THR 17.A N ASN 14.A OD1 no hydrogen 3.213 N/A THR 17.A OG1 VAL 12.A O no hydrogen 3.265 N/A THR 17.A OG1 ASN 14.A OD1 no hydrogen 2.647 N/A ASN 19.A N VAL 106.A O no hydrogen 2.855 N/A ASN 19.A ND2 TYR 116.A OH no hydrogen 2.943 N/A TYR 21.A N VAL 104.A O no hydrogen 2.925 N/A TYR 21.A OH TYR 116.A OH no hydrogen 2.732 N/A SER 22.A N ARG 1.A O no hydrogen 2.684 N/A SER 22.A OG ARG 1.A O no hydrogen 3.490 N/A PHE 23.A N ILE 102.A O no hydrogen 2.768 N/A TYR 25.A N GLN 100.A O no hydrogen 2.889 N/A SER 27.A N LEU 98.A O no hydrogen 2.931 N/A SER 27.A OG GLN 31.A O no hydrogen 3.217 N/A ASP 30.A N ALA 91.A O no hydrogen 2.935 N/A ARG 36.A N THR 121.A O no hydrogen 2.805 N/A ARG 36.A NH1 THR 85.A OG1 no hydrogen 2.848 N/A ARG 36.A NH1 PRO 143.A O no hydrogen 2.626 N/A ARG 36.A NH2 PRO 143.A O no hydrogen 2.898 N/A VAL 37.A N ARG 84.A O no hydrogen 2.782 N/A TYR 38.A N LEU 119.A O no hydrogen 2.830 N/A VAL 39.A N VAL 82.A O no hydrogen 2.962 N/A ASN 40.A N LYS 117.A O no hydrogen 2.988 N/A SER 41.A N GLN 80.A O no hydrogen 3.021 N/A SER 41.A OG SER 43.A OG no hydrogen 3.261 N/A SER 41.A OG GLN 115.A O no hydrogen 2.910 N/A SER 43.A OG SER 41.A OG no hydrogen 3.261 N/A SER 43.A OG ASN 45.A O no hydrogen 3.542 N/A ASN 47.A N ASN 45.A OD1 no hydrogen 3.467 N/A VAL 50.A N VAL 65.A O no hydrogen 2.802 N/A LEU 51.A N ALA 107.A O no hydrogen 2.667 N/A VAL 52.A N TRP 63.A O no hydrogen 2.800 N/A VAL 53.A N ASP 105.A O no hydrogen 2.811 N/A VAL 54.A N LEU 61.A O no hydrogen 2.632 N/A ARG 55.A N PHE 103.A O no hydrogen 2.685 N/A GLN 56.A N GLU 59.A O no hydrogen 2.783 N/A LEU 61.A N VAL 54.A O no hydrogen 2.762 N/A TRP 63.A N VAL 52.A O no hydrogen 2.851 N/A GLN 64.A NE2 PRO 66.A O no hydrogen 3.100 N/A VAL 65.A N VAL 50.A O no hydrogen 2.698 N/A LEU 67.A N TYR 79.A O no hydrogen 2.954 N/A PHE 69.A N TYR 77.A O no hydrogen 2.823 N/A GLY 71.A N ARG 75.A O no hydrogen 2.645 N/A LEU 72.A N GLU 224.A OE1 no hydrogen 2.817 N/A ARG 75.A N GLY 71.A O no hydrogen 3.422 N/A TYR 77.A N PHE 69.A O no hydrogen 3.193 N/A TYR 77.A OH GLU 224.A OE2 no hydrogen 2.726 N/A TYR 79.A N LEU 67.A O no hydrogen 2.673 N/A GLN 80.A NE2 ASN 78.A OD1 no hydrogen 3.322 N/A VAL 82.A N VAL 39.A O no hydrogen 2.800 N/A SER 83.A N SER 141.A O no hydrogen 3.308 N/A SER 83.A OG VAL 37.A O no hydrogen 3.237 N/A ARG 84.A N VAL 37.A O no hydrogen 2.884 N/A LEU 86.A N VAL 35.A O no hydrogen 2.837 N/A THR 92.A OG1 GLU 94.A OE1 no hydrogen 3.044 N/A THR 95.A N THR 92.A OG1 no hydrogen 3.307 N/A THR 95.A OG1 THR 92.A O no hydrogen 2.725 N/A THR 95.A OG1 GLY 96.A O no hydrogen 3.497 N/A GLY 96.A N THR 92.A O no hydrogen 3.163 N/A LEU 98.A N SER 27.A O no hydrogen 3.007 N/A GLN 99.A NE2 THR 26.A OG1 no hydrogen 3.347 N/A GLN 100.A N TYR 25.A O no hydrogen 2.800 N/A ILE 102.A N PHE 23.A O no hydrogen 2.596 N/A PHE 103.A N ARG 55.A O no hydrogen 2.949 N/A VAL 104.A N TYR 21.A O no hydrogen 2.904 N/A ASP 105.A N VAL 53.A O no hydrogen 2.742 N/A VAL 106.A N ASN 19.A O no hydrogen 2.839 N/A ALA 107.A N LEU 51.A O no hydrogen 3.036 N/A SER 108.A OG PRO 49.A O no hydrogen 3.135 N/A ALA 110.A N SER 108.A OG no hydrogen 3.307 N/A ALA 114.A N VAL 13.A O no hydrogen 2.694 N/A TYR 116.A N GLY 11.A O no hydrogen 3.064 N/A TYR 116.A OH TYR 21.A OH no hydrogen 2.732 N/A LYS 117.A N ASN 40.A O no hydrogen 2.813 N/A LYS 117.A NZ SER 10.A OG no hydrogen 2.899 N/A LEU 118.A N TYR 9.A O no hydrogen 2.629 N/A LEU 119.A N TYR 38.A O no hydrogen 2.900 N/A THR 121.A N ARG 36.A O no hydrogen 2.979 N/A THR 121.A OG1 ARG 36.A O no hydrogen 3.512 N/A LEU 123.A N ALA 34.A O no hydrogen 2.672 N/A GLN 127.A NE2 LEU 128.A O no hydrogen 2.820 N/A LEU 128.A N LEU 147.A O no hydrogen 2.534 N/A THR 130.A OG1 TYR 148.A OH no hydrogen 2.861 N/A ASN 131.A N ILE 245.A O no hydrogen 2.784 N/A PHE 134.A N VAL 243.A O no hydrogen 3.025 N/A PHE 136.A N LEU 241.A O no hydrogen 2.675 N/A ALA 138.A N LYS 239.A O no hydrogen 3.110 N/A SER 139.A N GLN 142.A O no hydrogen 3.184 N/A SER 141.A OG GLU 81.A O no hydrogen 2.623 N/A GLN 142.A N SER 139.A O no hydrogen 3.084 N/A GLN 142.A NE2 GLU 81.A O no hydrogen 3.514 N/A GLN 142.A NE2 GLU 81.A OE2 no hydrogen 3.262 N/A GLN 144.A N PHE 219.A O no hydrogen 3.273 N/A TYR 145.A OH THR 85.A O no hydrogen 3.228 N/A PHE 146.A N VAL 217.A O no hydrogen 3.123 N/A LEU 147.A N PHE 126.A O no hydrogen 2.928 N/A TYR 148.A N PHE 215.A O no hydrogen 3.163 N/A TYR 148.A OH THR 130.A OG1 no hydrogen 2.861 N/A PHE 150.A N GLU 213.A O no hydrogen 2.617 N/A SER 156.A OG LEU 205.A O no hydrogen 2.307 N/A VAL 157.A N LEU 205.A O no hydrogen 3.144 N/A ILE 158.A N VAL 246.A O no hydrogen 2.700 N/A ILE 159.A N ILE 203.A O no hydrogen 2.695 N/A LYS 160.A N THR 244.A O no hydrogen 3.108 N/A LYS 160.A NZ GLU 595.A OE1 no hydrogen 2.834 N/A LYS 160.A NZ GLU 595.A OE2 no hydrogen 3.276 N/A VAL 161.A N ALA 201.A O no hydrogen 2.928 N/A VAL 162.A N GLU 242.A O no hydrogen 2.867 N/A SER 163.A N LYS 199.A O no hydrogen 2.658 N/A SER 163.A OG MET 165.A O no hydrogen 2.918 N/A SER 163.A OG ASN 240.A O no hydrogen 3.444 N/A CYS 169.A N ASP 225.A OD1 no hydrogen 3.235 N/A SER 170.A N MET 197.A O no hydrogen 2.723 N/A SER 170.A OG VAL 220.A O no hydrogen 3.219 N/A VAL 171.A N VAL 220.A O no hydrogen 2.615 N/A VAL 172.A N GLN 195.A O no hydrogen 2.886 N/A SER 173.A N VAL 218.A O no hydrogen 2.756 N/A SER 173.A OG VAL 188.A O no hydrogen 3.531 N/A SER 173.A OG VAL 193.A O no hydrogen 3.190 N/A VAL 174.A N VAL 193.A O no hydrogen 2.675 N/A GLN 175.A N PHE 216.A O no hydrogen 2.943 N/A GLN 175.A NE2 SER 173.A OG no hydrogen 3.301 N/A GLN 175.A NE2 TYR 182.A O no hydrogen 3.007 N/A MET 178.A N ASN 176.A O no hydrogen 3.041 N/A TYR 182.A N GLN 175.A OE1 no hydrogen 3.193 N/A LEU 184.A N ASN 187.A OD1 no hydrogen 3.069 N/A ASN 187.A N LEU 184.A O no hydrogen 3.071 N/A PHE 190.A N ASN 187.A O no hydrogen 3.173 N/A TYR 194.A N GLY 321.A O no hydrogen 3.067 N/A GLN 195.A N VAL 172.A O no hydrogen 2.872 N/A GLN 195.A NE2 ALA 202.A O no hydrogen 2.584 N/A SER 196.A N ASP 324.A OD1 no hydrogen 3.151 N/A MET 197.A N SER 170.A O no hydrogen 2.949 N/A THR 198.A OG1 ALA 587.A O no hydrogen 3.335 N/A THR 198.A OG1 GLU 591.A OE2 no hydrogen 2.637 N/A LYS 200.A NZ ASN 593.A O no hydrogen 3.077 N/A ALA 201.A N VAL 161.A O no hydrogen 2.975 N/A ALA 202.A N GLN 195.A OE1 no hydrogen 3.191 N/A ILE 203.A N ILE 159.A O no hydrogen 3.027 N/A LEU 205.A N VAL 157.A O no hydrogen 2.922 N/A LYS 207.A N ASP 155.A O no hydrogen 3.015 N/A LYS 207.A NZ PRO 151.A O no hydrogen 2.939 N/A LYS 207.A NZ LYS 152.A O no hydrogen 2.996 N/A LYS 207.A NZ VAL 154.A O no hydrogen 2.941 N/A LYS 207.A NZ ASP 155.A OD2 no hydrogen 3.305 N/A ASP 209.A N GLN 206.A O no hydrogen 3.219 N/A PHE 210.A N LYS 207.A O no hydrogen 3.129 N/A GLU 213.A N PHE 210.A O no hydrogen 3.306 N/A GLN 214.A NE2 GLY 212.A O no hydrogen 3.570 N/A PHE 215.A N TYR 148.A O no hydrogen 3.049 N/A PHE 216.A N GLN 175.A O no hydrogen 2.637 N/A VAL 217.A N PHE 146.A O no hydrogen 2.880 N/A VAL 218.A N SER 173.A O no hydrogen 2.522 N/A PHE 219.A N GLN 144.A O no hydrogen 2.717 N/A VAL 220.A N VAL 171.A O no hydrogen 2.918 N/A LYS 222.A N CYS 169.A O no hydrogen 3.045 N/A CYS 228.A N ASP 225.A O no hydrogen 3.347 N/A CYS 228.A SG SER 196.A OG no hydrogen 3.360 N/A GLY 229.A N TYR 226.A O no hydrogen 3.175 N/A GLY 230.A N ASP 225.A O no hydrogen 2.657 N/A ASN 234.A ND2 SER 76.A O no hydrogen 2.941 N/A ARG 237.A NE LYS 222.A O no hydrogen 3.293 N/A ARG 237.A NH1 ASP 225.A OD2 no hydrogen 3.481 N/A ARG 237.A NH2 LYS 222.A O no hydrogen 2.688 N/A ARG 237.A NH2 ASP 225.A OD1 no hydrogen 2.801 N/A LYS 238.A NZ GLN 142.A OE1 no hydrogen 3.558 N/A LYS 239.A N ALA 138.A O no hydrogen 2.783 N/A LYS 239.A NZ PRO 168.A O no hydrogen 2.872 N/A LYS 239.A NZ THR 198.A O no hydrogen 2.995 N/A LEU 241.A N PHE 136.A O no hydrogen 2.853 N/A GLU 242.A N VAL 162.A O no hydrogen 3.057 N/A VAL 243.A N PHE 134.A O no hydrogen 2.959 N/A THR 244.A N LYS 160.A O no hydrogen 3.012 N/A VAL 246.A N ILE 158.A O no hydrogen 3.070 N/A SER 248.A N SER 156.A O no hydrogen 2.993 N/A SER 248.A OG SER 156.A O no hydrogen 3.330 N/A VAL 253.A N LYS 250.A O no hydrogen 3.153 N/A TYR 254.A OH PRO 335.A O no hydrogen 3.069 N/A VAL 255.A N GLU 251.A O no hydrogen 3.327 N/A LYS 256.A N SER 252.A O no hydrogen 2.960 N/A SER 257.A N VAL 253.A O no hydrogen 3.108 N/A SER 257.A OG VAL 253.A O no hydrogen 2.876 N/A SER 258.A N TYR 254.A O no hydrogen 3.089 N/A SER 258.A OG TYR 254.A O no hydrogen 2.890 N/A LEU 259.A N VAL 255.A O no hydrogen 3.101 N/A PHE 260.A N LYS 256.A O no hydrogen 3.080 N/A SER 261.A N SER 257.A O no hydrogen 3.009 N/A SER 261.A OG SER 257.A O no hydrogen 3.023 N/A VAL 262.A N SER 258.A O no hydrogen 3.196 N/A PHE 263.A N LEU 259.A O no hydrogen 2.934 N/A ILE 264.A N PHE 260.A O no hydrogen 3.078 N/A LEU 266.A N VAL 262.A O no hydrogen 2.828 N/A SER 267.A N PHE 263.A O no hydrogen 2.910 N/A SER 267.A OG ILE 264.A O no hydrogen 2.729 N/A PHE 268.A N PHE 265.A O no hydrogen 3.230 N/A TYR 269.A OH LEU 353.A O no hydrogen 2.636 N/A LEU 270.A N LEU 266.A O no hydrogen 3.021 N/A GLY 271.A N SER 267.A O no hydrogen 2.856 N/A CYS 272.A N PHE 268.A O no hydrogen 2.873 N/A CYS 272.A SG PHE 268.A O no hydrogen 3.398 N/A LEU 273.A N TYR 269.A O no hydrogen 2.844 N/A LEU 274.A N LEU 270.A O no hydrogen 2.854 N/A VAL 275.A N GLY 271.A O no hydrogen 3.193 N/A GLY 276.A N CYS 272.A O no hydrogen 2.909 N/A PHE 277.A N LEU 273.A O no hydrogen 2.822 N/A VAL 278.A N LEU 274.A O no hydrogen 3.168 N/A HIS 279.A N VAL 275.A O no hydrogen 3.171 N/A TYR 280.A N GLY 276.A O no hydrogen 2.969 N/A LEU 281.A N PHE 277.A O no hydrogen 2.960 N/A ARG 282.A N VAL 278.A O no hydrogen 2.990 N/A PHE 283.A N HIS 279.A O no hydrogen 2.791 N/A GLN 284.A N TYR 280.A O no hydrogen 3.080 N/A ARG 285.A N LEU 281.A O no hydrogen 2.974 N/A LYS 286.A N ARG 282.A O no hydrogen 2.897 N/A TYR 291.A N TYR 288.A O no hydrogen 2.962 N/A TYR 291.A OH SER 447.A O no hydrogen 3.159 N/A ASN 294.A N ILE 290.A O no hydrogen 2.952 N/A ILE 295.A N TYR 291.A O no hydrogen 3.213 N/A THR 297.A N TRP 293.A O no hydrogen 2.994 N/A THR 297.A OG1 TRP 293.A O no hydrogen 3.302 N/A ILE 298.A N ASN 294.A O no hydrogen 2.905 N/A ALA 299.A N ILE 295.A O no hydrogen 2.938 N/A VAL 300.A N ILE 296.A O no hydrogen 2.859 N/A PHE 301.A N THR 297.A O no hydrogen 2.865 N/A TYR 302.A N ILE 298.A O no hydrogen 3.004 N/A ALA 303.A N VAL 300.A O no hydrogen 3.054 N/A LEU 304.A N VAL 300.A O no hydrogen 3.064 N/A ILE 307.A N ALA 303.A O no hydrogen 3.096 N/A GLN 308.A N LEU 304.A O no hydrogen 3.191 N/A LEU 309.A N PRO 305.A O no hydrogen 3.059 N/A VAL 310.A N VAL 306.A O no hydrogen 2.822 N/A ILE 311.A N ILE 307.A O no hydrogen 3.433 N/A TYR 313.A N LEU 309.A O no hydrogen 2.981 N/A GLN 314.A N VAL 310.A O no hydrogen 2.761 N/A GLN 314.A NE2 VAL 338.A O no hydrogen 3.486 N/A THR 315.A N ILE 311.A O no hydrogen 2.814 N/A THR 315.A OG1 ILE 311.A O no hydrogen 2.751 N/A VAL 316.A N THR 312.A O no hydrogen 3.107 N/A VAL 317.A N TYR 313.A O no hydrogen 3.026 N/A ASN 318.A N GLN 314.A O no hydrogen 3.159 N/A VAL 319.A N THR 315.A O no hydrogen 3.071 N/A THR 320.A N VAL 316.A O no hydrogen 3.072 N/A THR 320.A OG1 VAL 316.A O no hydrogen 2.414 N/A GLY 321.A N VAL 317.A O no hydrogen 2.920 N/A ASN 322.A N THR 320.A OG1 no hydrogen 3.380 N/A GLN 323.A N TYR 194.A O no hydrogen 3.316 N/A ASP 324.A N ASN 322.A OD1 no hydrogen 3.320 N/A CYS 326.A SG TYR 328.A OH no hydrogen 3.540 N/A TYR 327.A N PRO 413.A O no hydrogen 2.535 N/A TYR 327.A OH GLY 584.A O no hydrogen 3.237 N/A TYR 328.A N CYS 326.A O no hydrogen 3.032 N/A TYR 328.A OH SER 340.A OG no hydrogen 3.400 N/A TYR 328.A OH VAL 411.A O no hydrogen 2.612 N/A ASN 329.A ND2 ARG 594.A O no hydrogen 2.889 N/A LEU 331.A N ASN 329.A O no hydrogen 2.437 N/A CYS 332.A SG HIS 334.A NE2 no hydrogen 2.907 N/A CYS 332.A SG PHE 601.A O no hydrogen 3.161 N/A HIS 334.A N ASN 343.A OD1 no hydrogen 3.045 N/A LEU 336.A N LEU 339.A O no hydrogen 3.072 N/A LEU 339.A N LEU 336.A O no hydrogen 3.034 N/A SER 340.A OG TYR 328.A OH no hydrogen 3.400 N/A PHE 342.A N HIS 334.A O no hydrogen 2.646 N/A ASN 343.A ND2 CYS 332.A O no hydrogen 3.112 N/A ASN 343.A ND2 PHE 601.A O no hydrogen 3.365 N/A ASN 343.A ND2 ASP 606.A OD2 no hydrogen 3.003 N/A LEU 346.A N PHE 342.A O no hydrogen 3.029 N/A SER 347.A N ASN 343.A O no hydrogen 3.152 N/A SER 347.A OG ASN 343.A O no hydrogen 3.569 N/A SER 347.A OG ASN 344.A O no hydrogen 2.550 N/A SER 347.A OG HIS 609.A ND1 no hydrogen 2.801 N/A ASN 348.A N ILE 345.A O no hydrogen 3.118 N/A LEU 349.A N LEU 346.A O no hydrogen 3.107 N/A LEU 353.A N LEU 349.A O no hydrogen 2.924 N/A LEU 354.A N GLY 350.A O no hydrogen 2.734 N/A GLY 355.A N HIS 351.A O no hydrogen 2.935 N/A PHE 356.A N VAL 352.A O no hydrogen 3.057 N/A LEU 357.A N LEU 353.A O no hydrogen 3.064 N/A PHE 358.A N LEU 354.A O no hydrogen 3.083 N/A LEU 359.A N GLY 355.A O no hydrogen 3.213 N/A LEU 360.A N PHE 356.A O no hydrogen 3.107 N/A ILE 361.A N LEU 357.A O no hydrogen 2.900 N/A VAL 362.A N PHE 358.A O no hydrogen 2.797 N/A LEU 363.A N LEU 359.A O no hydrogen 2.938 N/A ARG 364.A N LEU 360.A O no hydrogen 3.143 N/A ARG 365.A N ILE 361.A O no hydrogen 3.276 N/A ASP 366.A N VAL 362.A O no hydrogen 2.894 N/A ILE 367.A N LEU 363.A O no hydrogen 2.787 N/A LEU 368.A N ARG 364.A O no hydrogen 2.825 N/A HIS 369.A N ARG 365.A O no hydrogen 2.853 N/A ARG 370.A N ASP 366.A O no hydrogen 2.862 N/A ARG 371.A N ILE 367.A O no hydrogen 2.931 N/A ALA 372.A N LEU 368.A O no hydrogen 2.962 N/A LEU 373.A N HIS 369.A O no hydrogen 2.767 N/A GLU 374.A N ARG 370.A O no hydrogen 3.046 N/A ALA 375.A N ARG 371.A O no hydrogen 2.929 N/A LYS 376.A N LEU 373.A O no hydrogen 3.060 N/A ASP 377.A N ALA 372.A O no hydrogen 3.082 N/A VAL 381.A N ASP 377.A O no hydrogen 3.001 N/A GLU 382.A N ILE 378.A O no hydrogen 2.826 N/A TYR 383.A N PHE 379.A O no hydrogen 3.255 N/A GLY 384.A N VAL 633.A O no hydrogen 2.754 N/A LYS 387.A NZ ASP 631.A OD2 no hydrogen 3.514 N/A TYR 393.A N PHE 389.A O no hydrogen 3.155 N/A TYR 393.A OH ASP 366.A OD2 no hydrogen 3.095 N/A ALA 394.A N GLY 390.A O no hydrogen 3.175 N/A MET 395.A N LEU 391.A O no hydrogen 2.895 N/A GLY 396.A N PHE 392.A O no hydrogen 3.050 N/A ILE 397.A N TYR 393.A O no hydrogen 3.038 N/A ALA 398.A N ALA 394.A O no hydrogen 2.844 N/A LEU 399.A N MET 395.A O no hydrogen 3.125 N/A MET 400.A N GLY 396.A O no hydrogen 3.376 N/A MET 401.A N ILE 397.A O no hydrogen 2.913 N/A GLU 402.A N ALA 398.A O no hydrogen 2.763 N/A GLY 403.A N LEU 399.A O no hydrogen 3.149 N/A VAL 404.A N MET 400.A O no hydrogen 3.140 N/A LEU 405.A N MET 401.A O no hydrogen 2.985 N/A SER 406.A N GLU 402.A O no hydrogen 2.935 N/A SER 406.A OG ASN 348.A OD1 no hydrogen 2.971 N/A SER 406.A OG ASP 421.A OD1 no hydrogen 2.712 N/A SER 406.A OG HIS 609.A NE2 no hydrogen 3.220 N/A ALA 407.A N GLY 403.A O no hydrogen 3.062 N/A CYS 408.A N VAL 404.A O no hydrogen 3.076 N/A CYS 408.A SG VAL 404.A O no hydrogen 3.210 N/A TYR 409.A N LEU 405.A O no hydrogen 3.098 N/A HIS 410.A N SER 406.A O no hydrogen 3.108 N/A VAL 411.A N CYS 408.A O no hydrogen 3.279 N/A CYS 412.A N TYR 409.A O no hydrogen 3.215 N/A SER 416.A N ASN 414.A OD1 no hydrogen 2.475 N/A ASN 417.A N ASN 414.A O no hydrogen 3.063 N/A ASN 417.A ND2 CYS 412.A O no hydrogen 2.777 N/A GLN 419.A N GLN 419.A OE1 no hydrogen 3.303 N/A PHE 420.A N ASN 417.A O no hydrogen 3.047 N/A SER 423.A N GLN 419.A O no hydrogen 3.015 N/A SER 423.A OG GLN 419.A O no hydrogen 2.653 N/A MET 425.A N THR 422.A O no hydrogen 3.292 N/A TYR 426.A N SER 423.A O no hydrogen 2.973 N/A TYR 426.A OH ALA 524.A O no hydrogen 2.646 N/A ILE 428.A N PHE 424.A O no hydrogen 2.982 N/A ALA 429.A N MET 425.A O no hydrogen 2.921 N/A GLY 430.A N TYR 426.A O no hydrogen 2.961 N/A LEU 431.A N MET 427.A O no hydrogen 2.802 N/A CYS 432.A N ILE 428.A O no hydrogen 3.078 N/A CYS 432.A SG ILE 428.A O no hydrogen 3.252 N/A MET 433.A N ALA 429.A O no hydrogen 3.319 N/A LEU 434.A N GLY 430.A O no hydrogen 3.323 N/A LYS 435.A N LEU 431.A O no hydrogen 3.030 N/A LYS 435.A NZ HIS 388.A O no hydrogen 2.775 N/A LYS 435.A NZ GLN 438.A OE1 no hydrogen 2.942 N/A LEU 436.A N CYS 432.A O no hydrogen 3.144 N/A TYR 437.A N MET 433.A O no hydrogen 3.185 N/A GLN 438.A N LEU 434.A O no hydrogen 2.598 N/A GLN 438.A NE2 GLN 438.A O no hydrogen 3.530 N/A THR 439.A N LYS 435.A O no hydrogen 3.032 N/A THR 439.A N LEU 436.A O no hydrogen 3.350 N/A THR 439.A OG1 LYS 435.A O no hydrogen 2.359 N/A THR 439.A OG1 LEU 436.A O no hydrogen 3.356 N/A ARG 440.A NE TYR 542.A OH no hydrogen 2.779 N/A ARG 440.A NH1 GLU 551.A OE2 no hydrogen 3.421 N/A ARG 440.A NH1 PRO 639.A O no hydrogen 2.606 N/A ARG 440.A NH2 TYR 542.A OH no hydrogen 3.346 N/A ARG 440.A NH2 GLU 551.A OE2 no hydrogen 3.527 N/A HIS 441.A N TYR 437.A O no hydrogen 2.876 N/A HIS 441.A ND1 TYR 437.A O no hydrogen 2.950 N/A TYR 449.A N SER 447.A OG no hydrogen 3.268 N/A SER 450.A N SER 447.A O no hydrogen 3.186 N/A SER 450.A OG SER 447.A O no hydrogen 2.638 N/A TYR 452.A N ALA 448.A O no hydrogen 3.236 N/A ALA 453.A N TYR 449.A O no hydrogen 2.752 N/A SER 454.A N SER 450.A O no hydrogen 2.898 N/A SER 454.A OG SER 450.A O no hydrogen 2.730 N/A PHE 455.A N ALA 451.A O no hydrogen 3.008 N/A ALA 456.A N TYR 452.A O no hydrogen 3.027 N/A VAL 457.A N ALA 453.A O no hydrogen 2.964 N/A VAL 458.A N SER 454.A O no hydrogen 2.893 N/A ILE 459.A N PHE 455.A O no hydrogen 2.903 N/A MET 460.A N ALA 456.A O no hydrogen 2.814 N/A VAL 461.A N VAL 457.A O no hydrogen 2.876 N/A THR 462.A N VAL 458.A O no hydrogen 2.937 N/A THR 462.A OG1 VAL 458.A O no hydrogen 3.209 N/A VAL 463.A N ILE 459.A O no hydrogen 2.803 N/A LEU 464.A N MET 460.A O no hydrogen 3.064 N/A GLY 465.A N VAL 461.A O no hydrogen 2.925 N/A VAL 466.A N THR 462.A O no hydrogen 3.172 N/A VAL 467.A N VAL 463.A O no hydrogen 3.082 N/A PHE 468.A N LEU 464.A O no hydrogen 3.011 N/A GLY 469.A N GLY 465.A O no hydrogen 3.037 N/A TRP 476.A N ASP 472.A O no hydrogen 3.429 N/A VAL 477.A N VAL 473.A O no hydrogen 3.302 N/A VAL 477.A N TRP 474.A O no hydrogen 2.937 N/A ILE 478.A N TRP 474.A O no hydrogen 3.084 N/A PHE 479.A N PHE 475.A O no hydrogen 2.924 N/A SER 480.A N TRP 476.A O no hydrogen 3.051 N/A SER 480.A OG TRP 476.A O no hydrogen 2.623 N/A ALA 481.A N VAL 477.A O no hydrogen 3.314 N/A ALA 481.A N ILE 478.A O no hydrogen 2.844 N/A ILE 482.A N ILE 478.A O no hydrogen 3.171 N/A HIS 483.A N PHE 479.A O no hydrogen 2.806 N/A VAL 484.A N SER 480.A O no hydrogen 3.109 N/A LEU 485.A N ALA 481.A O no hydrogen 3.091 N/A ALA 486.A N ILE 482.A O no hydrogen 2.753 N/A SER 487.A N HIS 483.A O no hydrogen 3.038 N/A SER 487.A OG HIS 483.A O no hydrogen 2.727 N/A LEU 488.A N VAL 484.A O no hydrogen 2.936 N/A ALA 489.A N LEU 485.A O no hydrogen 3.006 N/A LEU 490.A N ALA 486.A O no hydrogen 2.896 N/A SER 491.A N SER 487.A O no hydrogen 2.952 N/A SER 491.A OG SER 487.A O no hydrogen 3.193 N/A SER 491.A OG LEU 488.A O no hydrogen 2.759 N/A THR 492.A N LEU 488.A O no hydrogen 3.265 N/A THR 492.A OG1 LEU 488.A O no hydrogen 3.491 N/A THR 492.A OG1 ALA 489.A O no hydrogen 2.660 N/A GLN 493.A N ALA 489.A O no hydrogen 3.340 N/A GLN 493.A N LEU 490.A O no hydrogen 2.963 N/A GLN 493.A NE2 THR 492.A OG1 no hydrogen 3.397 N/A ILE 494.A N LEU 490.A O no hydrogen 2.933 N/A TYR 495.A N SER 491.A O no hydrogen 2.747 N/A LEU 500.A N ASP 496.A O no hydrogen 3.099 N/A LEU 501.A N ARG 497.A O no hydrogen 2.950 N/A VAL 502.A N MET 498.A O no hydrogen 3.045 N/A VAL 503.A N VAL 499.A O no hydrogen 2.946 N/A GLY 504.A N LEU 500.A O no hydrogen 2.717 N/A ASN 505.A N LEU 501.A O no hydrogen 2.905 N/A ASN 505.A ND2 SER 491.A OG no hydrogen 3.151 N/A LEU 506.A N VAL 502.A O no hydrogen 2.961 N/A VAL 507.A N VAL 503.A O no hydrogen 3.133 N/A ASN 508.A N GLY 504.A O no hydrogen 3.503 N/A ASN 508.A ND2 GLY 504.A O no hydrogen 3.233 N/A ASN 508.A ND2 ASN 534.A OD1 no hydrogen 3.035 N/A TRP 509.A N ASN 505.A O no hydrogen 2.829 N/A SER 510.A N LEU 506.A O no hydrogen 2.829 N/A SER 510.A OG LEU 506.A O no hydrogen 2.708 N/A PHE 511.A N VAL 507.A O no hydrogen 2.968 N/A ALA 512.A N ASN 508.A O no hydrogen 2.944 N/A LEU 513.A N TRP 509.A O no hydrogen 2.897 N/A PHE 514.A N SER 510.A O no hydrogen 2.938 N/A GLY 515.A N PHE 511.A O no hydrogen 2.987 N/A LEU 516.A N ALA 512.A O no hydrogen 2.864 N/A ILE 517.A N LEU 513.A O no hydrogen 2.905 N/A TYR 518.A N PHE 514.A O no hydrogen 2.752 N/A ARG 519.A N GLY 515.A O no hydrogen 2.636 N/A PHE 523.A N ARG 521.A O no hydrogen 3.125 N/A SER 525.A N ASP 522.A OD1 no hydrogen 3.466 N/A SER 525.A OG ASP 522.A OD2 no hydrogen 2.821 N/A TYR 526.A N ASP 522.A O no hydrogen 3.152 N/A TYR 526.A OH PHE 511.A O no hydrogen 2.796 N/A MET 527.A N PHE 523.A O no hydrogen 2.700 N/A LEU 528.A N ALA 524.A O no hydrogen 3.045 N/A GLY 529.A N SER 525.A O no hydrogen 3.059 N/A ILE 530.A N TYR 526.A O no hydrogen 3.266 N/A ILE 530.A N MET 527.A O no hydrogen 3.271 N/A PHE 531.A N MET 527.A O no hydrogen 3.418 N/A ILE 532.A N LEU 528.A O no hydrogen 2.993 N/A CYS 533.A N GLY 529.A O no hydrogen 3.004 N/A CYS 533.A SG GLY 529.A O no hydrogen 3.222 N/A ASN 534.A N ILE 530.A O no hydrogen 3.291 N/A ASN 534.A ND2 ASN 508.A OD1 no hydrogen 3.500 N/A LEU 535.A N PHE 531.A O no hydrogen 2.967 N/A LEU 536.A N ILE 532.A O no hydrogen 2.946 N/A LEU 537.A N CYS 533.A O no hydrogen 2.780 N/A TYR 538.A N ASN 534.A O no hydrogen 3.038 N/A LEU 539.A N LEU 535.A O no hydrogen 3.004 N/A ALA 540.A N LEU 536.A O no hydrogen 2.862 N/A PHE 541.A N LEU 537.A O no hydrogen 2.765 N/A TYR 542.A N TYR 538.A O no hydrogen 2.914 N/A TYR 542.A OH ASP 627.A OD2 no hydrogen 2.659 N/A ILE 543.A N LEU 539.A O no hydrogen 3.123 N/A ILE 544.A N ALA 540.A O no hydrogen 2.982 N/A MET 545.A N PHE 541.A O no hydrogen 2.838 N/A LYS 546.A N TYR 542.A O no hydrogen 2.822 N/A LYS 546.A NZ ASP 627.A OD1 no hydrogen 2.302 N/A LYS 546.A NZ ASP 629.A OD2 no hydrogen 2.988 N/A LEU 547.A N ILE 543.A O no hydrogen 2.922 N/A ARG 548.A N ILE 544.A O no hydrogen 2.950 N/A SER 549.A N MET 545.A O no hydrogen 3.098 N/A SER 549.A OG MET 545.A O no hydrogen 2.991 N/A SER 550.A N LEU 547.A O no hydrogen 2.967 N/A GLU 551.A N LYS 546.A O no hydrogen 2.955 N/A LEU 558.A N LEU 554.A O no hydrogen 2.857 N/A PHE 559.A N PRO 555.A O no hydrogen 2.874 N/A CYS 560.A N VAL 556.A O no hydrogen 3.368 N/A CYS 560.A SG VAL 556.A O no hydrogen 3.452 N/A ILE 561.A N PRO 557.A O no hydrogen 3.119 N/A VAL 562.A N LEU 558.A O no hydrogen 3.239 N/A ALA 563.A N PHE 559.A O no hydrogen 2.855 N/A THR 564.A N CYS 560.A O no hydrogen 2.787 N/A THR 564.A OG1 CYS 560.A O no hydrogen 2.714 N/A ALA 565.A N ILE 561.A O no hydrogen 2.965 N/A VAL 566.A N VAL 562.A O no hydrogen 2.876 N/A MET 567.A N ALA 563.A O no hydrogen 2.850 N/A TRP 568.A N THR 564.A O no hydrogen 2.942 N/A TRP 568.A NE1 SER 619.A OG no hydrogen 3.182 N/A ALA 569.A N ALA 565.A O no hydrogen 3.049 N/A ALA 570.A N VAL 566.A O no hydrogen 2.961 N/A ALA 571.A N MET 567.A O no hydrogen 2.698 N/A LEU 572.A N TRP 568.A O no hydrogen 2.982 N/A TYR 573.A N ALA 569.A O no hydrogen 3.362 N/A PHE 574.A N ALA 570.A O no hydrogen 3.425 N/A PHE 575.A N ALA 571.A O no hydrogen 2.973 N/A PHE 576.A N LEU 572.A O no hydrogen 3.029 N/A PHE 576.A N TYR 573.A O no hydrogen 3.205 N/A GLN 577.A NE2 TYR 573.A O no hydrogen 3.135 N/A SER 580.A OG TYR 327.A O no hydrogen 3.429 N/A THR 585.A N GLU 588.A OE2 no hydrogen 3.341 N/A GLU 588.A N THR 585.A OG1 no hydrogen 3.134 N/A SER 589.A N THR 585.A O no hydrogen 3.037 N/A SER 589.A OG SER 581.A O no hydrogen 2.734 N/A SER 589.A OG THR 585.A O no hydrogen 2.707 N/A ARG 590.A N PRO 586.A O no hydrogen 3.256 N/A ARG 590.A NH1 ASP 324.A OD1 no hydrogen 2.983 N/A ARG 590.A NH2 ASP 324.A OD1 no hydrogen 2.853 N/A GLU 591.A N GLU 588.A O no hydrogen 3.327 N/A LYS 592.A N SER 589.A O no hydrogen 2.867 N/A ASN 593.A N ARG 590.A O no hydrogen 3.414 N/A ASN 593.A ND2 LEU 579.A O no hydrogen 2.543 N/A ARG 594.A N ASN 329.A OD1 no hydrogen 3.166 N/A ARG 594.A NH1 GLN 577.A OE1 no hydrogen 3.253 N/A CYS 596.A SG HIS 334.A NE2 no hydrogen 4.011 N/A LEU 598.A N PHE 602.A O no hydrogen 2.878 N/A PHE 601.A N LEU 598.A O no hydrogen 2.980 N/A PHE 602.A N LEU 598.A O no hydrogen 2.955 N/A ASP 603.A N ASP 606.A OD2 no hydrogen 3.405 N/A HIS 605.A NE2 ASP 421.A OD2 no hydrogen 3.082 N/A ILE 607.A N ASP 603.A O no hydrogen 3.067 N/A TRP 608.A N ASP 604.A O no hydrogen 3.086 N/A HIS 609.A N HIS 605.A O no hydrogen 3.267 N/A HIS 609.A N ASP 606.A O no hydrogen 3.144 N/A HIS 609.A ND1 SER 347.A OG no hydrogen 2.801 N/A PHE 610.A N ASP 606.A O no hydrogen 3.160 N/A LEU 611.A N ILE 607.A O no hydrogen 2.875 N/A SER 612.A N TRP 608.A O no hydrogen 2.807 N/A SER 612.A OG HIS 351.A NE2 no hydrogen 3.335 N/A SER 612.A OG TRP 608.A O no hydrogen 2.760 N/A SER 612.A OG HIS 609.A O no hydrogen 3.422 N/A THR 614.A N PHE 610.A O no hydrogen 3.296 N/A THR 614.A OG1 PHE 610.A O no hydrogen 2.491 N/A ALA 615.A N LEU 611.A O no hydrogen 2.846 N/A LEU 616.A N SER 612.A O no hydrogen 2.922 N/A PHE 617.A N ALA 613.A O no hydrogen 2.720 N/A PHE 618.A N THR 614.A O no hydrogen 3.022 N/A SER 619.A N ALA 615.A O no hydrogen 2.968 N/A SER 619.A OG ALA 615.A O no hydrogen 2.486 N/A PHE 620.A N LEU 616.A O no hydrogen 3.096 N/A LEU 621.A N PHE 617.A O no hydrogen 3.234 N/A VAL 622.A N PHE 618.A O no hydrogen 3.142 N/A LEU 623.A N SER 619.A O no hydrogen 3.323 N/A LEU 624.A N PHE 620.A O no hydrogen 2.959 N/A THR 625.A N LEU 621.A O no hydrogen 2.980 N/A THR 625.A OG1 LEU 621.A O no hydrogen 2.603 N/A LEU 626.A N VAL 622.A O no hydrogen 2.905 N/A ASP 628.A N THR 625.A O no hydrogen 3.020 N/A LEU 630.A N ASP 627.A O no hydrogen 3.224 N/A ARG 634.A N GLN 637.A OE1 no hydrogen 3.251 N/A ARG 635.A N GLU 382.A O no hydrogen 3.268 N/A ARG 635.A NE GLY 384.A O no hydrogen 2.695 N/A ILE 638.A N ARG 634.A O no hydrogen 2.944 N/A