Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3du6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLN 425.A OE1 no hydrogen 2.737 N/A TYR 4.A N GLN 425.A OE1 no hydrogen 2.847 N/A TYR 5.A N ILE 86.A O no hydrogen 2.780 N/A TYR 5.A OH ASP 124.A OD2 no hydrogen 2.939 N/A ARG 6.A NH2 SER 11.A OG no hydrogen 2.868 N/A LEU 7.A N GLU 84.A O no hydrogen 3.089 N/A LYS 10.A N SER 8.A OG no hydrogen 3.314 N/A SER 11.A N SER 8.A O no hydrogen 3.387 N/A ARG 12.A N LEU 9.A O no hydrogen 2.834 N/A ARG 12.A NE LEU 9.A O no hydrogen 3.221 N/A GLN 13.A N ASP 124.A O no hydrogen 2.959 N/A VAL 19.A N ASN 28.A OD1 no hydrogen 2.795 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 2.793 N/A TYR 23.A N ASN 20.A O no hydrogen 3.241 N/A ILE 26.A N ASN 24.A OD1 no hydrogen 2.939 N/A LEU 27.A N ASN 24.A O no hydrogen 3.226 N/A ASN 28.A N SER 25.A O no hydrogen 2.839 N/A ILE 29.A N ILE 26.A O no hydrogen 3.297 N/A LEU 31.A N LEU 27.A O no hydrogen 2.962 N/A LYS 32.A N ASN 28.A O no hydrogen 2.985 N/A ASN 33.A N ILE 29.A O no hydrogen 2.804 N/A ASN 33.A ND2 ILE 55.A O no hydrogen 2.657 N/A PHE 34.A N ALA 30.A O no hydrogen 2.891 N/A ARG 35.A N LEU 31.A O no hydrogen 3.109 N/A ARG 35.A NH1 LYS 17.A O no hydrogen 2.983 N/A LEU 36.A N LYS 32.A O no hydrogen 2.866 N/A CYS 37.A N ASN 33.A O no hydrogen 2.924 N/A CYS 37.A SG TYR 134.A OH no hydrogen 3.290 N/A LYS 38.A N PHE 34.A O no hydrogen 3.186 N/A LYS 39.A N ARG 35.A O no hydrogen 3.116 N/A HIS 40.A N CYS 37.A O no hydrogen 3.208 N/A ILE 48.A N ILE 596.A O no hydrogen 3.026 N/A LEU 51.A N GLN 47.A O no hydrogen 2.996 N/A LEU 52.A N ILE 48.A O no hydrogen 2.832 N/A GLN 53.A N LEU 49.A O no hydrogen 3.258 N/A GLU 54.A N LEU 51.A O no hydrogen 2.941 N/A ILE 55.A N LEU 51.A O no hydrogen 3.039 N/A ILE 55.A N LEU 52.A O no hydrogen 2.854 N/A ILE 56.A N LEU 52.A O no hydrogen 2.745 N/A LYS 58.A NZ THR 64.A OG1 no hydrogen 2.926 N/A TYR 60.A N PRO 57.A O no hydrogen 3.071 N/A PHE 61.A N LYS 58.A O no hydrogen 2.911 N/A GLY 62.A N LYS 58.A O no hydrogen 2.858 N/A ASN 66.A N THR 63.A OG1 no hydrogen 3.304 N/A ASN 66.A ND2 PHE 61.A O no hydrogen 3.119 N/A ASN 66.A ND2 ASP 96.A O no hydrogen 2.935 N/A LEU 67.A N THR 63.A O no hydrogen 3.051 N/A LYS 68.A N THR 64.A O no hydrogen 2.891 N/A ARG 69.A N THR 65.A O no hydrogen 3.256 N/A PHE 70.A N ASN 66.A O no hydrogen 3.390 N/A TYR 71.A N LEU 67.A O no hydrogen 3.172 N/A LYS 72.A N LYS 68.A O no hydrogen 3.205 N/A LYS 72.A NZ GLU 75.A OE1 no hydrogen 2.785 N/A VAL 73.A N PHE 70.A O no hydrogen 3.171 N/A VAL 74.A N PHE 70.A O no hydrogen 3.390 N/A GLU 75.A N TYR 71.A O no hydrogen 2.780 N/A LYS 76.A N LYS 72.A O no hydrogen 2.981 N/A LYS 76.A NZ THR 487.A OG1 no hydrogen 2.744 N/A ILE 77.A N VAL 73.A O no hydrogen 2.954 N/A LEU 78.A N VAL 74.A O no hydrogen 2.877 N/A THR 79.A N LYS 76.A O no hydrogen 2.832 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.902 N/A THR 79.A OG1 LYS 76.A O no hydrogen 3.268 N/A GLN 80.A N ILE 77.A O no hydrogen 3.380 N/A GLN 80.A NE2 LEU 7.A O no hydrogen 2.807 N/A GLN 80.A NE2 ILE 77.A O no hydrogen 2.872 N/A SER 81.A N GLU 84.A OE1 no hydrogen 2.903 N/A SER 81.A OG HIS 415.A ND1 no hydrogen 2.660 N/A SER 82.A N HIS 144.A O no hydrogen 2.955 N/A GLU 84.A N SER 81.A O no hydrogen 3.373 N/A CYS 85.A SG PHE 83.A O no hydrogen 3.417 N/A ILE 86.A N TYR 5.A O no hydrogen 3.025 N/A HIS 87.A N SER 488.A OG no hydrogen 2.899 N/A HIS 87.A ND1 SER 488.A OG no hydrogen 2.581 N/A HIS 87.A NE2 ILE 426.A O no hydrogen 2.855 N/A LEU 88.A N HIS 3.A O no hydrogen 2.754 N/A SER 89.A OG ASP 428.A OD2 no hydrogen 2.845 N/A VAL 90.A N HIS 87.A O no hydrogen 3.244 N/A LEU 91.A N LEU 88.A O no hydrogen 3.074 N/A HIS 92.A N SER 89.A O no hydrogen 2.994 N/A LYS 93.A N SER 89.A O no hydrogen 2.826 N/A ASP 96.A N ASN 66.A OD1 no hydrogen 2.793 N/A TYR 97.A OH HIS 92.A O no hydrogen 2.667 N/A ALA 99.A N ASP 96.A O no hydrogen 3.335 N/A ILE 100.A N TYR 97.A O no hydrogen 3.288 N/A TRP 102.A NE1 TYR 60.A O no hydrogen 2.858 N/A LEU 103.A N ILE 100.A O no hydrogen 3.150 N/A GLN 104.A N PRO 101.A O no hydrogen 2.879 N/A GLN 104.A NE2 ASP 98.A O no hydrogen 3.212 N/A GLN 104.A NE2 ILE 100.A O no hydrogen 3.114 N/A VAL 106.A N LEU 103.A O no hydrogen 3.232 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.670 N/A LEU 110.A N GLU 107.A O no hydrogen 3.163 N/A ARG 111.A N PRO 108.A O no hydrogen 3.050 N/A ARG 111.A NE LEU 103.A O no hydrogen 3.099 N/A ARG 111.A NE VAL 106.A O no hydrogen 2.857 N/A ARG 111.A NH1 ASP 98.A OD1 no hydrogen 3.562 N/A ARG 111.A NH2 VAL 106.A O no hydrogen 3.269 N/A LEU 114.A N ARG 111.A O no hydrogen 2.827 N/A LEU 115.A N ARG 111.A O no hydrogen 3.139 N/A LEU 116.A N PRO 112.A O no hydrogen 3.069 N/A LYS 117.A N LYS 113.A O no hydrogen 3.054 N/A HIS 118.A N LEU 114.A O no hydrogen 2.724 N/A ASN 119.A N LEU 115.A O no hydrogen 2.629 N/A LEU 120.A N LEU 116.A O no hydrogen 3.022 N/A PHE 121.A N LYS 117.A O no hydrogen 3.369 N/A LEU 122.A N HIS 118.A O no hydrogen 3.128 N/A LEU 123.A N ASN 119.A O no hydrogen 2.944 N/A ASP 124.A N LEU 120.A O no hydrogen 2.791 N/A ASN 125.A N PHE 121.A O no hydrogen 2.778 N/A ASN 125.A ND2 PHE 121.A O no hydrogen 3.003 N/A ILE 126.A N LEU 122.A O no hydrogen 2.958 N/A VAL 127.A N LEU 122.A O no hydrogen 2.845 N/A LYS 128.A N LEU 123.A O no hydrogen 3.062 N/A LYS 128.A NZ TYR 5.A OH no hydrogen 2.915 N/A LYS 128.A NZ ARG 6.A O no hydrogen 3.006 N/A LYS 128.A NZ SER 8.A O no hydrogen 2.954 N/A ILE 130.A N ILE 126.A O no hydrogen 2.898 N/A ILE 131.A N VAL 127.A O no hydrogen 3.382 N/A ALA 132.A N LYS 128.A O no hydrogen 3.050 N/A PHE 133.A N PRO 129.A O no hydrogen 2.841 N/A TYR 134.A N ILE 130.A O no hydrogen 3.113 N/A TYR 135.A N ILE 131.A O no hydrogen 2.609 N/A LYS 136.A N ILE 149.A O no hydrogen 2.704 N/A ILE 138.A N LYS 147.A O no hydrogen 2.804 N/A LYS 139.A NZ SER 82.A OG no hydrogen 3.135 N/A THR 140.A N GLU 145.A O no hydrogen 3.059 N/A THR 140.A OG1 GLU 145.A O no hydrogen 3.288 N/A THR 140.A OG1 GLU 145.A OE2 no hydrogen 2.729 N/A HIS 144.A N HIS 415.A O no hydrogen 2.765 N/A LYS 147.A N ILE 138.A O no hydrogen 2.793 N/A ILE 149.A N LYS 136.A O no hydrogen 3.060 N/A ARG 150.A NH2 GLU 152.A OE2 no hydrogen 2.774 N/A LYS 151.A N TYR 134.A O no hydrogen 2.951 N/A LYS 151.A NZ ALA 132.A O no hydrogen 3.029 N/A TYR 154.A N ARG 150.A O no hydrogen 2.931 N/A TYR 154.A OH GLU 158.A OE1 no hydrogen 3.290 N/A TYR 154.A OH ILE 186.A O no hydrogen 2.785 N/A ILE 155.A N LYS 151.A O no hydrogen 3.104 N/A SER 156.A N GLU 152.A O no hydrogen 3.092 N/A PHE 157.A N GLU 153.A O no hydrogen 3.013 N/A GLU 158.A N TYR 154.A O no hydrogen 2.621 N/A SER 159.A N ILE 155.A O no hydrogen 2.864 N/A SER 159.A OG ILE 155.A O no hydrogen 3.212 N/A LYS 160.A N SER 156.A O no hydrogen 3.175 N/A VAL 161.A N PHE 157.A O no hydrogen 3.189 N/A PHE 162.A N GLU 158.A O no hydrogen 3.048 N/A HIS 163.A N SER 159.A O no hydrogen 2.851 N/A LEU 165.A N VAL 161.A O no hydrogen 2.852 N/A LYS 166.A N PHE 162.A O no hydrogen 3.010 N/A LYS 166.A NZ TYR 300.A OH no hydrogen 3.251 N/A LYS 167.A N HIS 163.A O no hydrogen 3.012 N/A MET 168.A N LYS 164.A O no hydrogen 3.031 N/A LEU 171.A N LEU 165.A O no hydrogen 3.245 N/A VAL 172.A N LYS 301.A O no hydrogen 3.443 N/A VAL 174.A N ILE 299.A O no hydrogen 2.955 N/A VAL 183.A N SER 198.A O no hydrogen 3.180 N/A LEU 184.A N ALA 294.A O no hydrogen 2.850 N/A ASN 185.A N ILE 196.A O no hydrogen 2.876 N/A ILE 187.A N ARG 194.A O no hydrogen 2.916 N/A LYS 189.A N ASN 192.A O no hydrogen 3.102 N/A ASN 192.A N LYS 189.A O no hydrogen 2.893 N/A ARG 194.A N ILE 187.A O no hydrogen 2.866 N/A ILE 196.A N ASN 185.A O no hydrogen 3.225 N/A VAL 197.A N GLN 308.A O no hydrogen 3.028 N/A SER 198.A N VAL 183.A O no hydrogen 3.091 N/A PHE 208.A N ARG 205.A O no hydrogen 2.868 N/A LYS 210.A N LYS 206.A O no hydrogen 2.635 N/A THR 213.A N PHE 209.A O no hydrogen 2.688 N/A SER 214.A N LYS 210.A O no hydrogen 3.092 N/A TYR 217.A N THR 213.A O no hydrogen 3.137 N/A TYR 217.A OH GLU 318.A OE1 no hydrogen 3.023 N/A LYS 218.A N SER 214.A O no hydrogen 3.403 N/A VAL 219.A N LYS 215.A O no hydrogen 3.185 N/A LEU 220.A N ILE 216.A O no hydrogen 3.054 N/A GLU 221.A N TYR 217.A O no hydrogen 3.038 N/A LYS 223.A N VAL 219.A O no hydrogen 3.052 N/A TYR 224.A N LEU 220.A O no hydrogen 3.233 N/A CYS 233.A N SER 229.A O no hydrogen 3.001 N/A CYS 233.A SG SER 227.A O no hydrogen 3.923 N/A CYS 233.A SG SER 229.A O no hydrogen 3.618 N/A TRP 234.A N LEU 230.A O no hydrogen 2.991 N/A TRP 234.A NE1 ARG 399.A O no hydrogen 3.240 N/A SER 235.A N TYR 231.A O no hydrogen 2.839 N/A GLU 236.A N THR 232.A O no hydrogen 2.904 N/A PHE 237.A N CYS 233.A O no hydrogen 3.052 N/A THR 238.A N TRP 234.A O no hydrogen 3.115 N/A THR 238.A OG1 TRP 234.A O no hydrogen 3.148 N/A THR 238.A OG1 SER 235.A O no hydrogen 3.334 N/A GLN 239.A N SER 235.A O no hydrogen 3.318 N/A GLN 239.A NE2 THR 238.A OG1 no hydrogen 3.096 N/A LYS 240.A N GLU 236.A O no hydrogen 3.304 N/A LYS 240.A NZ ASP 335.A O no hydrogen 3.533 N/A THR 241.A N PHE 237.A O no hydrogen 2.998 N/A THR 241.A OG1 PHE 237.A O no hydrogen 2.875 N/A GLN 244.A NE2 ILE 245.A O no hydrogen 3.356 N/A GLN 244.A NE2 THR 397.A OG1 no hydrogen 2.970 N/A TYR 246.A N SER 349.A O no hydrogen 2.901 N/A GLY 247.A N ASN 376.A OD1 no hydrogen 3.003 N/A ILE 248.A N PHE 347.A O no hydrogen 2.776 N/A LYS 249.A N ARG 374.A O no hydrogen 2.794 N/A LYS 249.A NZ ASP 344.A OD1 no hydrogen 3.530 N/A VAL 250.A N TYR 345.A O no hydrogen 3.117 N/A ILE 252.A N ASP 343.A O no hydrogen 2.869 N/A ARG 253.A N GLN 367.A O no hydrogen 2.718 N/A GLY 257.A N ASP 254.A OD2 no hydrogen 2.937 N/A ASN 258.A N ASP 254.A O no hydrogen 2.898 N/A VAL 259.A N TYR 256.A O no hydrogen 3.477 N/A LYS 260.A N TYR 320.A OH no hydrogen 3.323 N/A LYS 260.A NZ ASN 258.A O no hydrogen 3.233 N/A LYS 260.A NZ TYR 320.A OH no hydrogen 2.920 N/A LEU 264.A N LYS 260.A O no hydrogen 3.159 N/A CYS 265.A N ILE 261.A O no hydrogen 3.318 N/A CYS 265.A SG ILE 261.A O no hydrogen 3.216 N/A LEU 267.A N VAL 263.A O no hydrogen 3.407 N/A ILE 268.A N LEU 264.A O no hydrogen 2.990 N/A GLN 269.A N CYS 265.A O no hydrogen 3.334 N/A SER 270.A N LYS 266.A O no hydrogen 3.279 N/A SER 270.A OG LYS 266.A O no hydrogen 2.612 N/A LEU 275.A N PRO 272.A O no hydrogen 3.108 N/A GLU 279.A N ASP 277.A OD2 no hydrogen 3.503 N/A LYS 281.A N SER 278.A O no hydrogen 3.219 N/A ASP 286.A N ASN 282.A O no hydrogen 2.814 N/A ILE 288.A N ILE 284.A O no hydrogen 3.080 N/A ILE 288.A N VAL 285.A O no hydrogen 3.201 N/A SER 289.A N VAL 285.A O no hydrogen 3.259 N/A SER 289.A OG VAL 285.A O no hydrogen 3.148 N/A ASN 290.A N ASP 286.A O no hydrogen 2.647 N/A GLN 291.A NE2 GLY 305.A O no hydrogen 3.185 N/A VAL 293.A N TYR 300.A O no hydrogen 2.974 N/A ALA 294.A N GLY 182.A O no hydrogen 2.931 N/A PHE 295.A N LYS 298.A O no hydrogen 2.889 N/A ARG 296.A NH1 SER 159.A OG no hydrogen 3.314 N/A ARG 296.A NH2 GLU 158.A OE2 no hydrogen 2.976 N/A ARG 296.A NH2 SER 159.A OG no hydrogen 3.273 N/A LYS 298.A NZ TYR 300.A OH no hydrogen 3.408 N/A TYR 300.A N VAL 293.A O no hydrogen 2.688 N/A LYS 301.A N VAL 172.A O no hydrogen 2.788 N/A TRP 302.A N GLN 291.A O no hydrogen 2.834 N/A TRP 302.A NE1 HIS 304.A O no hydrogen 3.026 N/A ASN 303.A ND2 LYS 169.A O no hydrogen 2.898 N/A HIS 304.A NE2 ASP 254.A OD1 no hydrogen 3.126 N/A SER 313.A N ASP 310.A O no hydrogen 3.044 N/A SER 313.A OG LEU 307.A O no hydrogen 2.769 N/A CYS 315.A SG THR 213.A OG1 no hydrogen 3.001 N/A CYS 315.A SG LEU 312.A O no hydrogen 3.166 N/A LEU 316.A N LEU 312.A O no hydrogen 2.967 N/A CYS 317.A N SER 313.A O no hydrogen 2.831 N/A GLU 318.A N GLY 314.A O no hydrogen 3.214 N/A LEU 319.A N CYS 315.A O no hydrogen 2.862 N/A TYR 320.A N LEU 316.A O no hydrogen 2.774 N/A MET 321.A N CYS 317.A O no hydrogen 2.761 N/A ALA 322.A N GLU 318.A O no hydrogen 3.029 N/A MET 324.A N TYR 320.A O no hydrogen 3.138 N/A ASP 325.A N MET 321.A O no hydrogen 3.005 N/A ASP 325.A N ALA 322.A O no hydrogen 3.277 N/A ARG 326.A N ALA 322.A O no hydrogen 3.444 N/A ARG 326.A NH2 TYR 224.A OH no hydrogen 3.468 N/A LEU 327.A N PHE 323.A O no hydrogen 3.091 N/A TYR 328.A N MET 324.A O no hydrogen 3.133 N/A PHE 329.A N ASP 325.A O no hydrogen 3.129 N/A ASP 335.A N ASP 333.A OD2 no hydrogen 3.011 N/A ALA 336.A N ASP 333.A O no hydrogen 3.045 N/A PHE 337.A N CYS 348.A O no hydrogen 2.872 N/A HIS 339.A N PHE 346.A O no hydrogen 2.817 N/A HIS 339.A ND1 TYR 389.A OH no hydrogen 2.704 N/A ARG 340.A NE ASP 325.A OD1 no hydrogen 3.037 N/A THR 341.A N ASP 344.A O no hydrogen 2.700 N/A THR 341.A OG1 ASP 344.A O no hydrogen 3.467 N/A ASP 343.A N THR 341.A OG1 no hydrogen 3.420 N/A ASP 344.A N THR 341.A OG1 no hydrogen 2.990 N/A TYR 345.A N VAL 250.A O no hydrogen 3.248 N/A TYR 345.A OH TYR 366.A OH no hydrogen 3.249 N/A PHE 346.A N HIS 339.A O no hydrogen 2.597 N/A PHE 347.A N ILE 248.A O no hydrogen 3.013 N/A CYS 348.A N PHE 337.A O no hydrogen 2.801 N/A SER 349.A N TYR 246.A O no hydrogen 2.807 N/A LYS 354.A N HIS 351.A O no hydrogen 3.266 N/A VAL 355.A N PRO 352.A O no hydrogen 2.885 N/A TYR 356.A N PRO 352.A O no hydrogen 3.364 N/A TYR 356.A OH THR 379.A OG1 no hydrogen 2.752 N/A ASP 357.A N HIS 353.A O no hydrogen 3.260 N/A PHE 358.A N LYS 354.A O no hydrogen 3.282 N/A GLU 359.A N VAL 355.A O no hydrogen 3.081 N/A LEU 360.A N TYR 356.A O no hydrogen 3.027 N/A LEU 361.A N ASP 357.A O no hydrogen 2.729 N/A ILE 362.A N PHE 358.A O no hydrogen 2.774 N/A LYS 363.A N GLU 359.A O no hydrogen 3.245 N/A LYS 363.A NZ GLU 359.A OE2 no hydrogen 3.132 N/A GLY 364.A N LEU 360.A O no hydrogen 3.272 N/A GLY 364.A N LEU 361.A O no hydrogen 2.994 N/A VAL 365.A N LEU 361.A O no hydrogen 3.073 N/A VAL 365.A N ILE 362.A O no hydrogen 3.173 N/A TYR 366.A N ILE 362.A O no hydrogen 2.805 N/A TYR 366.A OH TYR 345.A OH no hydrogen 3.249 N/A ASN 369.A N ASP 251.A O no hydrogen 3.065 N/A LYS 372.A N ASN 369.A O no hydrogen 2.889 N/A THR 373.A OG1 ASN 369.A O no hydrogen 3.325 N/A ARG 374.A N LYS 249.A O no hydrogen 3.124 N/A THR 375.A OG1 GLY 247.A O no hydrogen 2.756 N/A ASN 376.A ND2 ILE 245.A O no hydrogen 2.942 N/A LEU 377.A N THR 375.A OG1 no hydrogen 3.393 N/A THR 379.A OG1 TYR 356.A OH no hydrogen 2.752 N/A HIS 380.A N LEU 377.A O no hydrogen 3.358 N/A HIS 380.A NE2 GLU 359.A OE2 no hydrogen 2.943 N/A GLN 384.A N THR 375.A O no hydrogen 2.556 N/A ILE 387.A N PHE 394.A O no hydrogen 2.840 N/A TYR 389.A N LYS 392.A O no hydrogen 2.835 N/A TYR 389.A OH HIS 339.A ND1 no hydrogen 2.704 N/A LYS 392.A N TYR 389.A O no hydrogen 3.198 N/A LYS 392.A NZ ASN 446.A O no hydrogen 3.310 N/A ILE 393.A N ARG 402.A O no hydrogen 2.542 N/A PHE 394.A N ILE 387.A O no hydrogen 2.974 N/A ASN 395.A N GLN 400.A O no hydrogen 3.037 N/A ASN 395.A ND2 GLU 386.A OE2 no hydrogen 3.307 N/A LEU 396.A N ASP 385.A O no hydrogen 3.105 N/A THR 397.A N ASN 395.A OD1 no hydrogen 3.026 N/A THR 397.A OG1 ASP 385.A OD1 no hydrogen 3.002 N/A THR 397.A OG1 ASP 385.A OD2 no hydrogen 3.190 N/A THR 398.A N ASN 395.A OD1 no hydrogen 3.103 N/A ARG 399.A NH1 THR 397.A O no hydrogen 3.514 N/A ARG 399.A NH2 THR 241.A O no hydrogen 2.754 N/A ARG 399.A NH2 GLY 243.A O no hydrogen 3.362 N/A GLN 400.A NE2 THR 398.A O no hydrogen 2.983 N/A GLN 400.A NE2 PHE 457.A O no hydrogen 2.736 N/A ARG 402.A N ILE 393.A O no hydrogen 3.016 N/A ARG 402.A NH1 ASN 466.A OD1 no hydrogen 3.121 N/A ARG 402.A NH1 ASP 469.A OD2 no hydrogen 2.701 N/A ARG 402.A NH2 ASP 469.A OD2 no hydrogen 3.160 N/A ARG 402.A NH2 TYR 577.A OH no hydrogen 2.829 N/A THR 403.A N ASN 466.A OD1 no hydrogen 3.385 N/A THR 403.A OG1 GLU 452.A OE1 no hydrogen 2.527 N/A LEU 404.A N GLY 391.A O no hydrogen 3.200 N/A TYR 405.A OH SER 447.A OG no hydrogen 3.025 N/A TYR 411.A N PRO 408.A O no hydrogen 3.222 N/A TYR 411.A OH ASN 142.A O no hydrogen 2.868 N/A ILE 413.A N LYS 589.A O no hydrogen 3.146 N/A ARG 414.A NH1 THR 79.A O no hydrogen 2.821 N/A ARG 414.A NH2 THR 79.A O no hydrogen 3.016 N/A ARG 414.A NH2 GLU 412.A OE1 no hydrogen 2.755 N/A HIS 415.A N GLU 412.A O no hydrogen 3.004 N/A HIS 415.A ND1 SER 81.A OG no hydrogen 2.660 N/A LYS 416.A N ILE 413.A O no hydrogen 2.858 N/A PHE 417.A N ARG 414.A O no hydrogen 3.211 N/A ASN 423.A N ASN 421.A OD1 no hydrogen 2.972 N/A ASN 423.A ND2 ASN 421.A OD1 no hydrogen 3.646 N/A ASN 424.A N ASN 421.A O no hydrogen 3.049 N/A GLN 425.A NE2 PHE 422.A O no hydrogen 3.023 N/A ILE 426.A N TYR 4.A OH no hydrogen 2.818 N/A SER 427.A OG ASP 429.A OD1 no hydrogen 2.693 N/A ASN 430.A N SER 427.A O no hydrogen 3.086 N/A ARG 433.A N ASN 430.A OD1 no hydrogen 3.213 N/A ARG 433.A NH2 ASN 424.A OD1 no hydrogen 3.410 N/A LEU 435.A N PRO 431.A O no hydrogen 2.962 N/A GLN 436.A N ALA 432.A O no hydrogen 2.927 N/A GLN 436.A NE2 ALA 432.A O no hydrogen 2.991 N/A LYS 437.A N ARG 433.A O no hydrogen 2.866 N/A ALA 438.A N PHE 434.A O no hydrogen 3.028 N/A MET 439.A N LEU 435.A O no hydrogen 3.258 N/A MET 439.A N GLN 436.A O no hydrogen 2.871 N/A ASP 440.A N LYS 437.A O no hydrogen 3.219 N/A SER 447.A N ILE 444.A O no hydrogen 3.284 N/A SER 447.A OG TYR 405.A OH no hydrogen 3.025 N/A PHE 448.A N CYS 445.A O no hydrogen 3.361 N/A THR 449.A N GLU 452.A OE2 no hydrogen 2.975 N/A THR 449.A OG1 GLU 452.A OE2 no hydrogen 2.432 N/A GLU 452.A N THR 449.A O no hydrogen 3.344 N/A PHE 453.A N THR 449.A O no hydrogen 3.295 N/A ASN 454.A N LYS 450.A O no hydrogen 3.087 N/A THR 455.A N TYR 519.A O no hydrogen 3.075 N/A ASN 458.A ND2 GLN 400.A OE1 no hydrogen 3.424 N/A ASP 459.A N GLN 400.A OE1 no hydrogen 2.538 N/A ARG 461.A NH1 ASP 570.A OD2 no hydrogen 2.614 N/A THR 462.A OG1 GLN 400.A OE1 no hydrogen 2.589 N/A VAL 463.A N ASP 459.A O no hydrogen 3.129 N/A PHE 464.A N GLN 460.A O no hydrogen 3.087 N/A ALA 465.A N ARG 461.A O no hydrogen 3.012 N/A ASN 466.A N THR 462.A O no hydrogen 2.837 N/A ASN 466.A ND2 VAL 401.A O no hydrogen 3.166 N/A ASN 466.A ND2 GLU 452.A O no hydrogen 3.312 N/A PHE 467.A N VAL 463.A O no hydrogen 2.808 N/A TYR 468.A N PHE 464.A O no hydrogen 2.782 N/A TYR 468.A OH LYS 580.A O no hydrogen 2.830 N/A ASP 469.A N ALA 465.A O no hydrogen 3.060 N/A ALA 470.A N ASN 466.A O no hydrogen 2.993 N/A MET 471.A N PHE 467.A O no hydrogen 2.902 N/A ILE 472.A N TYR 468.A O no hydrogen 2.966 N/A CYS 473.A N ASP 469.A O no hydrogen 3.431 N/A CYS 473.A SG ASP 469.A O no hydrogen 3.831 N/A VAL 474.A N ALA 470.A O no hydrogen 3.172 N/A ALA 475.A N MET 471.A O no hydrogen 2.950 N/A TYR 476.A N ILE 472.A O no hydrogen 2.919 N/A TYR 476.A OH PHE 585.A O no hydrogen 2.859 N/A LYS 477.A N CYS 473.A O no hydrogen 2.778 N/A LYS 477.A NZ ALA 438.A O no hydrogen 2.919 N/A PHE 478.A N VAL 474.A O no hydrogen 2.801 N/A ASP 479.A N ALA 475.A O no hydrogen 2.818 N/A ALA 480.A N TYR 476.A O no hydrogen 2.955 N/A ALA 481.A N LYS 477.A O no hydrogen 2.837 N/A MET 482.A N PHE 478.A O no hydrogen 2.898 N/A MET 483.A N ASP 479.A O no hydrogen 2.917 N/A ALA 484.A N ALA 480.A O no hydrogen 3.135 N/A LEU 485.A N ALA 481.A O no hydrogen 2.931 N/A THR 487.A N MET 483.A O no hydrogen 3.299 N/A THR 487.A OG1 MET 483.A O no hydrogen 2.863 N/A SER 488.A N ALA 484.A O no hydrogen 2.834 N/A SER 488.A OG HIS 87.A ND1 no hydrogen 2.581 N/A PHE 489.A N ALA 484.A O no hydrogen 3.381 N/A VAL 491.A N LEU 485.A O no hydrogen 3.077 N/A GLY 495.A N ASP 493.A OD1 no hydrogen 3.149 N/A ILE 497.A N PHE 494.A O no hydrogen 3.083 N/A LEU 501.A N ILE 497.A O no hydrogen 2.881 N/A SER 502.A N TRP 498.A O no hydrogen 2.968 N/A SER 502.A OG TRP 498.A O no hydrogen 2.808 N/A SER 503.A N LEU 499.A O no hydrogen 2.901 N/A SER 503.A OG LEU 499.A O no hydrogen 2.772 N/A THR 504.A N VAL 500.A O no hydrogen 3.029 N/A THR 504.A OG1 VAL 500.A O no hydrogen 2.570 N/A VAL 505.A N LEU 501.A O no hydrogen 3.027 N/A ARG 506.A N SER 502.A O no hydrogen 3.025 N/A ALA 507.A N SER 503.A O no hydrogen 2.775 N/A TYR 508.A N THR 504.A O no hydrogen 2.924 N/A TYR 508.A OH MET 439.A O no hydrogen 2.886 N/A ALA 509.A N VAL 505.A O no hydrogen 3.048 N/A SER 510.A N ARG 506.A O no hydrogen 2.816 N/A ARG 511.A N ALA 507.A O no hydrogen 2.963 N/A ALA 512.A N TYR 508.A O no hydrogen 2.889 N/A PHE 513.A N ALA 509.A O no hydrogen 2.975 N/A LYS 514.A N SER 510.A O no hydrogen 3.091 N/A LYS 515.A N ARG 511.A O no hydrogen 3.002 N/A ILE 516.A N ALA 512.A O no hydrogen 2.887 N/A VAL 517.A N PHE 513.A O no hydrogen 2.992 N/A THR 518.A N LYS 514.A O no hydrogen 2.905 N/A THR 518.A OG1 LYS 514.A O no hydrogen 2.720 N/A TYR 519.A N LYS 515.A O no hydrogen 3.046 N/A LYS 520.A N VAL 517.A O no hydrogen 3.277 N/A GLY 521.A N THR 455.A OG1 no hydrogen 2.821 N/A LYS 523.A N THR 455.A O no hydrogen 2.970 N/A LYS 523.A NZ VAL 456.A O no hydrogen 3.501 N/A LYS 523.A NZ PHE 457.A O no hydrogen 3.011 N/A TYR 524.A N GLY 521.A O no hydrogen 3.283 N/A ARG 525.A NE HIS 569.A O no hydrogen 3.177 N/A ARG 525.A NH2 HIS 569.A O no hydrogen 2.896 N/A VAL 527.A N TYR 524.A OH no hydrogen 2.933 N/A CYS 531.A N THR 528.A O no hydrogen 3.151 N/A CYS 531.A N THR 528.A OG1 no hydrogen 2.986 N/A LEU 532.A N THR 528.A O no hydrogen 3.294 N/A LYS 533.A N PHE 529.A O no hydrogen 2.875 N/A SER 534.A N GLN 530.A O no hydrogen 2.965 N/A SER 534.A OG GLN 530.A O no hydrogen 3.353 N/A SER 534.A OG LYS 563.A O no hydrogen 2.611 N/A ILE 535.A N CYS 531.A O no hydrogen 2.981 N/A ALA 536.A N LEU 532.A O no hydrogen 2.842 N/A TRP 537.A N LYS 533.A O no hydrogen 2.960 N/A ARG 538.A N SER 534.A O no hydrogen 2.966 N/A ARG 538.A NE LEU 564.A O no hydrogen 2.850 N/A ALA 539.A N ILE 535.A O no hydrogen 3.123 N/A PHE 540.A N ALA 536.A O no hydrogen 3.180 N/A LEU 541.A N TRP 537.A O no hydrogen 2.968 N/A ALA 542.A N ARG 538.A O no hydrogen 2.945 N/A VAL 543.A N ALA 539.A O no hydrogen 3.369 N/A LEU 544.A N PHE 540.A O no hydrogen 2.842 N/A LYS 545.A N LEU 541.A O no hydrogen 2.920 N/A ARG 546.A N VAL 543.A O no hydrogen 3.091 N/A ARG 546.A NH1 TYR 476.A OH no hydrogen 3.011 N/A ARG 546.A NH1 VAL 588.A O no hydrogen 2.755 N/A ARG 546.A NH2 VAL 588.A O no hydrogen 3.190 N/A ARG 547.A N LEU 544.A O no hydrogen 2.982 N/A ARG 547.A NE ASP 479.A OD1 no hydrogen 2.825 N/A ARG 547.A NE ASP 479.A OD2 no hydrogen 3.387 N/A ARG 547.A NH1 ILE 590.A O no hydrogen 3.467 N/A ARG 547.A NH2 ASP 479.A OD1 no hydrogen 3.520 N/A ARG 547.A NH2 ASP 479.A OD2 no hydrogen 2.659 N/A ARG 547.A NH2 ILE 590.A O no hydrogen 2.869 N/A GLU 549.A N GLU 549.A OE1 no hydrogen 2.668 N/A TYR 551.A N ARG 547.A O no hydrogen 2.921 N/A TYR 551.A OH ASP 479.A OD1 no hydrogen 2.610 N/A LYS 552.A N GLU 549.A O no hydrogen 3.498 N/A LYS 552.A NZ ASP 556.A OD1 no hydrogen 2.799 N/A LYS 552.A NZ ASP 556.A OD2 no hydrogen 3.108 N/A ILE 555.A N TYR 551.A O no hydrogen 2.975 N/A ASP 556.A N LYS 552.A O no hydrogen 3.206 N/A ARG 557.A N GLY 553.A O no hydrogen 2.967 N/A ILE 558.A N LEU 554.A O no hydrogen 3.008 N/A LYS 559.A N ILE 555.A O no hydrogen 3.023 N/A SER 560.A N ASP 556.A O no hydrogen 2.996 N/A SER 560.A N ARG 557.A O no hydrogen 3.308 N/A SER 560.A OG ASP 556.A O no hydrogen 2.734 N/A SER 560.A OG ARG 557.A O no hydrogen 3.408 N/A ARG 561.A N ARG 557.A O no hydrogen 2.886 N/A GLU 562.A N ILE 558.A O no hydrogen 2.876 N/A GLU 572.A N ASP 570.A OD1 no hydrogen 2.906 N/A VAL 573.A N ASP 570.A O no hydrogen 2.820 N/A SER 576.A N ASP 574.A OD1 no hydrogen 3.306 N/A SER 576.A OG ASP 574.A OD1 no hydrogen 2.615 N/A SER 576.A OG ASP 574.A OD2 no hydrogen 3.349 N/A TYR 577.A N ASP 574.A O no hydrogen 3.165 N/A TYR 577.A OH ASP 469.A OD1 no hydrogen 2.712 N/A TYR 577.A OH ASP 469.A OD2 no hydrogen 2.892 N/A PHE 578.A N ALA 575.A O no hydrogen 3.221 N/A CYS 579.A N SER 576.A O no hydrogen 3.160 N/A CYS 579.A SG ALA 575.A O no hydrogen 3.878 N/A LYS 580.A NZ GLU 583.A OE2 no hydrogen 3.543 N/A LYS 584.A NZ ASP 469.A OD2 no hydrogen 3.166 N/A PHE 585.A N PRO 582.A O no hydrogen 2.644 N/A LYS 589.A N TYR 411.A O no hydrogen 2.718 N/A LYS 589.A NZ ASN 591.A O no hydrogen 3.285 N/A ARG 592.A NE THR 79.A OG1 no hydrogen 2.517 N/A ARG 592.A NH1 GLU 84.A OE2 no hydrogen 2.709 N/A ARG 592.A NH2 LYS 76.A O no hydrogen 3.241 N/A ARG 592.A NH2 THR 79.A O no hydrogen 3.240 N/A ARG 592.A NH2 GLU 84.A OE1 no hydrogen 2.813 N/A ARG 592.A NH2 GLU 84.A OE2 no hydrogen 2.992 N/A ALA 594.A N GLU 75.A OE2 no hydrogen 3.068 N/A