Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4j3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 SER 530.A O no hydrogen 2.890 N/A THR 3.A OG1 SER 530.A OG no hydrogen 2.706 N/A THR 3.A OG1 THR 531.A OG1 no hydrogen 3.178 N/A TYR 4.A N SER 530.A OG no hydrogen 2.933 N/A THR 5.A N ASP 8.A OD2 no hydrogen 3.100 N/A TYR 9.A N LEU 6.A O no hydrogen 3.177 N/A LEU 10.A N LEU 6.A O no hydrogen 2.949 N/A LYS 11.A N THR 7.A O no hydrogen 2.788 N/A THR 13.A N ASP 8.A O no hydrogen 2.923 N/A THR 13.A OG1 ASP 8.A OD1 no hydrogen 3.186 N/A LYS 17.A N ASN 458.A OD1 no hydrogen 2.963 N/A ARG 22.A N LEU 30.A O no hydrogen 3.361 N/A ARG 22.A NH1 TYR 66.A O no hydrogen 2.936 N/A ILE 24.A N GLU 28.A O no hydrogen 3.000 N/A SER 25.A N GLU 28.A O no hydrogen 3.341 N/A SER 25.A OG GLU 28.A OE1 no hydrogen 3.442 N/A HIS 27.A N SER 25.A OG no hydrogen 3.129 N/A HIS 27.A ND1 ASP 26.A OD1 no hydrogen 2.810 N/A TYR 29.A N PHE 40.A O no hydrogen 3.299 N/A LEU 30.A N ARG 22.A O no hydrogen 2.951 N/A TYR 31.A N LEU 38.A O no hydrogen 3.116 N/A GLN 33.A N ASN 36.A O no hydrogen 2.893 N/A ASN 36.A N GLN 33.A O no hydrogen 2.885 N/A ASN 36.A ND2 GLN 33.A O no hydrogen 3.207 N/A LEU 38.A N TYR 31.A O no hydrogen 2.843 N/A VAL 39.A N SER 48.A O no hydrogen 2.760 N/A PHE 40.A N TYR 29.A O no hydrogen 2.936 N/A ASN 41.A N ASN 46.A O no hydrogen 3.382 N/A ALA 42.A N HIS 27.A O no hydrogen 2.987 N/A TYR 44.A N ASN 41.A OD1 no hydrogen 2.976 N/A SER 48.A N VAL 39.A O no hydrogen 2.907 N/A PHE 50.A N ILE 37.A O no hydrogen 3.057 N/A LEU 51.A N ILE 37.A O no hydrogen 2.872 N/A ASN 53.A N ASN 36.A OD1 no hydrogen 2.666 N/A ASN 53.A ND2 GLU 34.A O no hydrogen 3.391 N/A THR 55.A N GLU 52.A O no hydrogen 3.294 N/A THR 55.A OG1 GLU 52.A O no hydrogen 2.571 N/A ASN 64.A N GLU 78.A O no hydrogen 2.812 N/A ASP 65.A N GLU 78.A O no hydrogen 3.104 N/A TYR 66.A N ASP 65.A OD1 no hydrogen 2.817 N/A SER 67.A N LEU 76.A O no hydrogen 2.905 N/A SER 69.A N PHE 74.A O no hydrogen 2.909 N/A SER 69.A OG ASP 71.A OD1 no hydrogen 2.907 N/A SER 69.A OG PHE 74.A O no hydrogen 2.995 N/A GLY 72.A N SER 69.A O no hydrogen 2.774 N/A GLN 73.A N SER 69.A OG no hydrogen 3.311 N/A GLN 73.A N ASP 71.A OD1 no hydrogen 3.295 N/A PHE 74.A N SER 69.A OG no hydrogen 2.876 N/A ILE 75.A N TYR 96.A O no hydrogen 3.007 N/A LEU 76.A N SER 67.A O no hydrogen 2.626 N/A LEU 77.A N ASP 94.A O no hydrogen 2.769 N/A GLU 78.A N ASP 65.A O no hydrogen 2.717 N/A TYR 79.A N SER 92.A O no hydrogen 2.886 N/A TYR 79.A OH ASP 94.A OD2 no hydrogen 3.260 N/A VAL 82.A N THR 90.A O no hydrogen 2.926 N/A LYS 83.A NZ GLN 84.A O no hydrogen 3.452 N/A LYS 83.A NZ TRP 85.A O no hydrogen 3.242 N/A LYS 83.A NZ ASP 700.A OD2 no hydrogen 3.505 N/A GLN 84.A N SER 88.A O no hydrogen 2.845 N/A TRP 85.A N SER 88.A OG no hydrogen 2.855 N/A ARG 86.A NE GLU 166.A OE1 no hydrogen 2.761 N/A ARG 86.A NE GLU 166.A OE2 no hydrogen 3.343 N/A ARG 86.A NH2 GLU 166.A OE2 no hydrogen 3.002 N/A HIS 87.A N GLU 165.A OE2 no hydrogen 2.810 N/A SER 88.A N GLU 165.A OE2 no hydrogen 2.791 N/A SER 88.A OG GLN 84.A OE1 no hydrogen 3.063 N/A SER 88.A OG GLU 165.A OE1 no hydrogen 3.117 N/A SER 88.A OG GLU 165.A OE2 no hydrogen 3.211 N/A TYR 89.A OH GLU 78.A OE1 no hydrogen 3.410 N/A THR 90.A N VAL 82.A O no hydrogen 3.046 N/A ALA 91.A N THR 113.A O no hydrogen 3.124 N/A SER 92.A N TYR 79.A O no hydrogen 2.762 N/A SER 92.A OG ASN 111.A OD1 no hydrogen 3.070 N/A ASP 94.A N LEU 77.A O no hydrogen 3.070 N/A TYR 96.A N ILE 75.A O no hydrogen 3.134 N/A ASP 97.A N GLN 102.A O no hydrogen 3.096 N/A LEU 98.A N GLN 73.A O no hydrogen 2.850 N/A ASN 99.A N ASP 97.A OD1 no hydrogen 3.222 N/A LYS 100.A N ASP 97.A OD2 no hydrogen 3.362 N/A LYS 100.A NZ GLN 102.A OE1 no hydrogen 3.243 N/A ILE 104.A N ILE 95.A O no hydrogen 3.110 N/A THR 105.A OG1 LEU 103.A O no hydrogen 3.468 N/A THR 113.A N ALA 91.A O no hydrogen 2.906 N/A THR 113.A OG1 PRO 110.A O no hydrogen 2.452 N/A GLN 114.A N VAL 128.A O no hydrogen 2.902 N/A GLN 114.A NE2 ASN 131.A OD1 no hydrogen 2.757 N/A THR 117.A N ALA 126.A O no hydrogen 2.978 N/A THR 117.A OG1 TRP 118.A O no hydrogen 3.064 N/A TRP 118.A NE1 SER 67.A O no hydrogen 2.997 N/A SER 119.A N LYS 124.A O no hydrogen 2.982 N/A SER 119.A OG VAL 121.A O no hydrogen 2.834 N/A HIS 123.A ND1 ASP 71.A OD2 no hydrogen 2.678 N/A HIS 123.A NE2 GLU 138.A OE1 no hydrogen 2.978 N/A HIS 123.A NE2 GLU 138.A OE2 no hydrogen 3.095 N/A LYS 124.A N SER 119.A OG no hydrogen 3.233 N/A LYS 124.A NZ GLY 181.A O no hydrogen 2.702 N/A LYS 124.A NZ ASP 235.A OD1 no hydrogen 3.359 N/A LEU 125.A N LYS 136.A O no hydrogen 2.772 N/A ALA 126.A N THR 117.A O no hydrogen 3.085 N/A TYR 127.A N TYR 134.A O no hydrogen 2.907 N/A TYR 127.A OH SER 143.A OG no hydrogen 3.297 N/A VAL 128.A N TRP 115.A O no hydrogen 2.774 N/A TRP 129.A N ASP 132.A O no hydrogen 2.839 N/A TRP 129.A NE1 ASN 111.A O no hydrogen 3.006 N/A ASN 131.A N GLN 114.A OE1 no hydrogen 3.125 N/A ASN 131.A ND2 LYS 151.A O no hydrogen 2.861 N/A ASN 131.A ND2 ILE 155.A O no hydrogen 2.818 N/A ASP 132.A N TRP 129.A O no hydrogen 2.944 N/A ILE 133.A N THR 147.A OG1 no hydrogen 2.816 N/A TYR 134.A N TYR 127.A O no hydrogen 2.868 N/A VAL 135.A N TYR 144.A O no hydrogen 2.974 N/A LYS 136.A N LEU 125.A O no hydrogen 2.718 N/A LYS 136.A NZ GLU 138.A O no hydrogen 3.456 N/A LYS 136.A NZ PRO 139.A O no hydrogen 2.936 N/A LEU 141.A N GLU 138.A O no hydrogen 3.137 N/A SER 143.A OG TYR 127.A OH no hydrogen 3.297 N/A TYR 144.A N VAL 135.A O no hydrogen 2.810 N/A TYR 144.A OH SER 239.A OG no hydrogen 3.318 N/A ARG 145.A NE THR 147.A O no hydrogen 2.954 N/A ARG 145.A NH2 TRP 148.A O no hydrogen 3.565 N/A ILE 146.A N ILE 133.A O no hydrogen 2.865 N/A THR 147.A OG1 ASP 132.A OD1 no hydrogen 3.162 N/A GLY 150.A N ASP 132.A OD1 no hydrogen 2.895 N/A LYS 151.A N ILE 155.A O no hydrogen 3.348 N/A ILE 154.A N LYS 151.A O no hydrogen 3.130 N/A ILE 155.A N LYS 151.A O no hydrogen 2.838 N/A TYR 156.A N PHE 189.A O no hydrogen 2.843 N/A ASN 157.A N ASN 131.A O no hydrogen 3.192 N/A ASN 157.A ND2 ASN 131.A O no hydrogen 3.505 N/A ASN 157.A ND2 THR 149.A OG1 no hydrogen 3.346 N/A GLY 158.A N ALA 187.A O no hydrogen 3.228 N/A THR 160.A N TYR 172.A O no hydrogen 3.017 N/A THR 160.A OG1 ALA 171.A O no hydrogen 2.958 N/A THR 160.A OG1 TYR 172.A O no hydrogen 3.204 N/A TRP 162.A NE1 ASP 670.A OD2 no hydrogen 2.815 N/A TYR 164.A N ASP 161.A OD1 no hydrogen 3.196 N/A GLU 165.A N ASP 161.A O no hydrogen 2.961 N/A GLU 166.A N TRP 162.A O no hydrogen 3.093 N/A GLU 167.A N VAL 163.A O no hydrogen 3.105 N/A VAL 168.A N TYR 164.A O no hydrogen 3.211 N/A PHE 169.A N TYR 164.A O no hydrogen 2.887 N/A ALA 174.A N GLY 158.A O no hydrogen 2.824 N/A LEU 175.A N SER 173.A OG no hydrogen 3.410 N/A TRP 176.A N ALA 185.A O no hydrogen 2.662 N/A SER 178.A N PHE 183.A O no hydrogen 3.096 N/A SER 178.A OG PHE 183.A O no hydrogen 3.247 N/A PHE 183.A N SER 178.A OG no hydrogen 2.791 N/A LEU 184.A N VAL 232.A O no hydrogen 3.060 N/A ALA 185.A N TRP 176.A O no hydrogen 2.824 N/A TYR 186.A N PHE 230.A O no hydrogen 2.861 N/A TYR 186.A OH SER 245.A OG no hydrogen 3.127 N/A ALA 187.A N ALA 174.A O no hydrogen 3.266 N/A GLN 188.A N LYS 228.A O no hydrogen 2.668 N/A GLN 188.A NE2 ASN 157.A OD1 no hydrogen 3.043 N/A PHE 189.A N TYR 156.A O no hydrogen 2.839 N/A ASN 190.A N THR 226.A O no hydrogen 2.940 N/A ASP 191.A N ILE 154.A O no hydrogen 2.721 N/A THR 192.A N ASN 190.A OD1 no hydrogen 3.252 N/A THR 192.A OG1 ASN 190.A OD1 no hydrogen 2.634 N/A VAL 194.A N ASP 191.A O no hydrogen 3.149 N/A ILE 197.A N VAL 215.A O no hydrogen 2.784 N/A TYR 199.A N VAL 213.A O no hydrogen 3.127 N/A PHE 201.A N LYS 211.A O no hydrogen 2.704 N/A TYR 202.A N ASP 698.A OD1 no hydrogen 2.942 N/A TYR 202.A N ASP 698.A OD2 no hydrogen 3.222 N/A LEU 207.A N ASP 204.A O no hydrogen 3.032 N/A LYS 211.A N PHE 201.A O no hydrogen 2.938 N/A VAL 213.A N TYR 199.A O no hydrogen 2.691 N/A VAL 215.A N ILE 197.A O no hydrogen 3.025 N/A TYR 217.A N PRO 195.A O no hydrogen 2.847 N/A TYR 217.A OH ASN 671.A O no hydrogen 2.968 N/A LYS 219.A NZ TYR 622.A O no hydrogen 2.683 N/A LYS 219.A NZ HIS 673.A ND1 no hydrogen 3.039 N/A LYS 219.A NZ GLN 675.A OE1 no hydrogen 3.049 N/A GLY 221.A N GLU 629.A OE2 no hydrogen 2.802 N/A ALA 222.A N LYS 219.A O no hydrogen 3.028 N/A THR 226.A N ASN 190.A O no hydrogen 3.168 N/A LYS 228.A N GLN 188.A O no hydrogen 2.909 N/A PHE 230.A N TYR 186.A O no hydrogen 2.887 N/A VAL 231.A N ILE 246.A O no hydrogen 2.904 N/A VAL 232.A N LEU 184.A O no hydrogen 3.455 N/A THR 234.A N THR 182.A O no hydrogen 2.869 N/A THR 234.A OG1 GLY 181.A O no hydrogen 2.653 N/A THR 234.A OG1 THR 182.A O no hydrogen 2.690 N/A SER 236.A N ASN 233.A OD1 no hydrogen 2.910 N/A SER 236.A OG ASN 233.A OD1 no hydrogen 2.802 N/A SER 238.A OG THR 241.A OG1 no hydrogen 3.253 N/A SER 239.A OG TYR 144.A OH no hydrogen 3.318 N/A VAL 240.A N SER 238.A OG no hydrogen 3.290 N/A THR 241.A OG1 SER 238.A OG no hydrogen 3.253 N/A SER 245.A OG TYR 186.A OH no hydrogen 3.127 N/A ILE 246.A N VAL 231.A O no hydrogen 2.828 N/A ILE 248.A N PHE 229.A O no hydrogen 2.871 N/A MET 254.A N PRO 251.A O no hydrogen 3.060 N/A LEU 255.A N PRO 251.A O no hydrogen 3.119 N/A HIS 259.A ND1 GLY 257.A O no hydrogen 3.268 N/A TYR 260.A N LEU 277.A O no hydrogen 2.667 N/A LEU 261.A N TYR 164.A OH no hydrogen 3.250 N/A CYS 262.A N GLN 275.A O no hydrogen 2.903 N/A CYS 262.A SG GLN 275.A O no hydrogen 3.519 N/A THR 265.A N SER 273.A O no hydrogen 2.947 N/A THR 265.A OG1 ASP 263.A OD1 no hydrogen 3.287 N/A THR 265.A OG1 ASP 263.A OD2 no hydrogen 3.127 N/A TRP 266.A NE1 TRP 176.A O no hydrogen 3.230 N/A ALA 267.A N ARG 271.A O no hydrogen 2.770 N/A THR 268.A N ARG 271.A O no hydrogen 3.107 N/A ARG 271.A NE ASP 290.A OD1 no hydrogen 2.839 N/A ARG 271.A NE ASP 290.A OD2 no hydrogen 3.473 N/A ARG 271.A NH1 GLY 329.A O no hydrogen 2.631 N/A ARG 271.A NH1 ASN 330.A OD1 no hydrogen 3.141 N/A ARG 271.A NH2 ASP 290.A OD2 no hydrogen 2.975 N/A ILE 272.A N CYS 289.A O no hydrogen 3.013 N/A SER 273.A N THR 265.A O no hydrogen 2.730 N/A LEU 274.A N ASP 287.A O no hydrogen 2.933 N/A GLN 275.A N ASP 263.A O no hydrogen 2.973 N/A GLN 275.A NE2 ASP 263.A OD2 no hydrogen 3.206 N/A GLN 275.A NE2 SER 321.A O no hydrogen 2.798 N/A TRP 276.A N VAL 285.A O no hydrogen 2.884 N/A LEU 277.A N TYR 260.A O no hydrogen 2.825 N/A ARG 278.A N TYR 283.A O no hydrogen 3.307 N/A ARG 278.A NE SER 253.A O no hydrogen 3.176 N/A ARG 278.A NH2 SER 253.A O no hydrogen 2.895 N/A ARG 279.A N ASP 258.A O no hydrogen 3.004 N/A ARG 279.A NE GLU 629.A OE1 no hydrogen 2.844 N/A ARG 279.A NE GLU 629.A OE2 no hydrogen 3.326 N/A ARG 279.A NH1 ALA 222.A O no hydrogen 3.035 N/A ARG 279.A NH1 ASP 258.A OD2 no hydrogen 3.071 N/A ARG 279.A NH2 ALA 222.A O no hydrogen 2.649 N/A ARG 279.A NH2 GLU 629.A OE2 no hydrogen 2.700 N/A GLN 281.A NE2 VAL 626.A O no hydrogen 2.796 N/A ASN 282.A N ILE 280.A O no hydrogen 2.867 N/A SER 284.A N GLU 308.A O no hydrogen 2.614 N/A SER 284.A OG TRP 276.A O no hydrogen 3.206 N/A VAL 285.A N TRP 276.A O no hydrogen 3.132 N/A MET 286.A N HIS 306.A O no hydrogen 2.850 N/A ASP 287.A N LEU 274.A O no hydrogen 2.765 N/A CYS 289.A N ILE 272.A O no hydrogen 2.887 N/A ASP 290.A N ASN 299.A O no hydrogen 2.845 N/A TYR 291.A N GLU 270.A O no hydrogen 3.044 N/A ASP 292.A N ARG 297.A O no hydrogen 3.094 N/A SER 295.A OG ASP 292.A OD2 no hydrogen 2.959 N/A GLY 296.A N ASP 292.A O no hydrogen 2.830 N/A ASN 299.A N ASP 290.A O no hydrogen 2.910 N/A ARG 304.A N LEU 301.A O no hydrogen 3.044 N/A ARG 304.A NH1 ASP 290.A OD2 no hydrogen 2.844 N/A GLN 305.A NE2 ASP 287.A OD1 no hydrogen 2.960 N/A HIS 306.A N MET 286.A O no hydrogen 3.342 N/A HIS 306.A NE2 GLN 349.A O no hydrogen 3.218 N/A GLU 308.A N SER 284.A O no hydrogen 2.794 N/A SER 310.A N ASN 282.A O no hydrogen 3.176 N/A THR 312.A N SER 310.A OG no hydrogen 3.298 N/A THR 312.A OG1 SER 310.A OG no hydrogen 3.159 N/A GLY 313.A N SER 310.A OG no hydrogen 3.277 N/A TRP 314.A NE1 ARG 317.A O no hydrogen 2.934 N/A VAL 315.A N GLN 281.A O no hydrogen 2.961 N/A ARG 317.A NH1 VAL 365.A O no hydrogen 3.282 N/A ARG 317.A NH2 GLU 364.A OE1 no hydrogen 2.831 N/A ARG 317.A NH2 VAL 365.A O no hydrogen 2.953 N/A ARG 319.A NE CYS 262.A O no hydrogen 3.077 N/A SER 321.A OG ILE 335.A O no hydrogen 2.944 N/A GLU 322.A N GLU 322.A OE1 no hydrogen 2.808 N/A HIS 324.A N TYR 333.A O no hydrogen 2.741 N/A THR 326.A N SER 331.A O no hydrogen 2.974 N/A THR 326.A OG1 ASP 328.A OD1 no hydrogen 2.798 N/A THR 326.A OG1 SER 331.A O no hydrogen 2.924 N/A THR 326.A OG1 SER 331.A OG no hydrogen 3.009 N/A ASN 330.A N ASP 328.A OD1 no hydrogen 3.429 N/A ASN 330.A ND2 ASP 328.A OD2 no hydrogen 2.860 N/A SER 331.A OG THR 326.A OG1 no hydrogen 3.009 N/A SER 331.A OG TYR 347.A OH no hydrogen 2.918 N/A PHE 332.A N PHE 348.A O no hydrogen 3.347 N/A TYR 333.A N HIS 324.A O no hydrogen 2.778 N/A LYS 334.A N CYS 346.A O no hydrogen 3.196 N/A LYS 334.A NZ GLU 308.A OE2 no hydrogen 2.719 N/A LYS 334.A NZ SER 321.A O no hydrogen 2.698 N/A LYS 334.A NZ SER 321.A OG no hydrogen 3.101 N/A ILE 336.A N HIS 344.A O no hydrogen 2.803 N/A SER 337.A OG ASP 549.A OD2 no hydrogen 2.714 N/A ASN 338.A N TYR 342.A O no hydrogen 2.860 N/A GLU 340.A N ASN 338.A OD1 no hydrogen 2.766 N/A GLY 341.A N ASN 338.A O no hydrogen 2.950 N/A TYR 342.A N ASN 338.A OD1 no hydrogen 3.219 N/A ARG 343.A N GLU 364.A OE2 no hydrogen 3.347 N/A HIS 344.A N ILE 336.A O no hydrogen 2.930 N/A ILE 345.A N THR 359.A OG1 no hydrogen 3.368 N/A CYS 346.A N LYS 334.A O no hydrogen 2.648 N/A TYR 347.A N THR 356.A O no hydrogen 2.700 N/A TYR 347.A OH SER 331.A OG no hydrogen 2.918 N/A PHE 348.A N PHE 332.A O no hydrogen 2.913 N/A ILE 350.A N ASN 330.A O no hydrogen 3.230 N/A THR 356.A N TYR 347.A O no hydrogen 3.065 N/A ILE 358.A N ILE 345.A O no hydrogen 3.011 N/A THR 359.A OG1 HIS 344.A ND1 no hydrogen 3.339 N/A GLU 364.A N ASN 381.A OD1 no hydrogen 2.910 N/A VAL 365.A N ARG 343.A O no hydrogen 2.807 N/A ILE 366.A N ILE 379.A O no hydrogen 2.669 N/A GLU 369.A N TYR 377.A O no hydrogen 2.787 N/A ALA 370.A N TYR 377.A O no hydrogen 3.459 N/A THR 372.A N TYR 375.A O no hydrogen 2.797 N/A THR 372.A OG1 TYR 375.A O no hydrogen 2.979 N/A ASP 374.A N THR 372.A OG1 no hydrogen 3.354 N/A TYR 375.A N THR 372.A OG1 no hydrogen 2.764 N/A LEU 376.A N ILE 395.A O no hydrogen 3.209 N/A TYR 377.A N ALA 370.A O no hydrogen 2.799 N/A TYR 378.A N TYR 393.A O no hydrogen 3.032 N/A ILE 379.A N GLY 367.A O no hydrogen 3.122 N/A SER 380.A N ASN 391.A O no hydrogen 3.122 N/A ASN 381.A N GLU 364.A O no hydrogen 3.384 N/A ASN 381.A ND2 PRO 387.A O no hydrogen 3.587 N/A ASN 381.A ND2 TYR 546.A O no hydrogen 2.842 N/A TYR 383.A OH GLU 409.A OE2 no hydrogen 3.330 N/A LYS 384.A NZ TYR 383.A OH no hydrogen 3.492 N/A GLY 385.A N GLU 382.A O no hydrogen 2.824 N/A MET 386.A N TYR 383.A O no hydrogen 3.401 N/A GLY 389.A N MET 386.A O no hydrogen 3.266 N/A ARG 390.A N GLN 416.A O no hydrogen 2.858 N/A ARG 390.A NH1 PRO 387.A O no hydrogen 3.201 N/A ARG 390.A NH1 GLY 389.A O no hydrogen 3.321 N/A ASN 391.A N SER 380.A O no hydrogen 3.160 N/A LEU 392.A N SER 407.A OG no hydrogen 2.848 N/A TYR 393.A N TYR 378.A O no hydrogen 2.802 N/A LYS 394.A N THR 404.A O no hydrogen 2.779 N/A LYS 394.A NZ ASP 449.A OD1 no hydrogen 3.028 N/A ILE 395.A N LEU 376.A O no hydrogen 3.054 N/A GLN 396.A N LYS 402.A O no hydrogen 3.301 N/A LEU 397.A N ASP 374.A O no hydrogen 3.107 N/A SER 398.A OG GLN 396.A OE1 no hydrogen 3.214 N/A ASP 399.A N GLN 396.A O no hydrogen 3.271 N/A THR 401.A N ASP 399.A OD1 no hydrogen 3.447 N/A THR 401.A OG1 ASP 399.A OD1 no hydrogen 2.745 N/A LYS 402.A N ASP 399.A O no hydrogen 3.189 N/A THR 404.A N LYS 394.A O no hydrogen 2.983 N/A CYS 405.A SG LEU 392.A O no hydrogen 3.562 N/A LEU 406.A N LEU 392.A O no hydrogen 2.913 N/A SER 407.A OG ASN 391.A OD1 no hydrogen 2.760 N/A CYS 408.A SG TYR 393.A OH no hydrogen 3.608 N/A LEU 410.A N SER 407.A O no hydrogen 3.294 N/A ARG 414.A NE LEU 438.A O no hydrogen 2.851 N/A ARG 414.A NH2 LEU 438.A O no hydrogen 3.045 N/A ARG 414.A NH2 PRO 439.A O no hydrogen 3.229 N/A ARG 414.A NH2 ASP 457.A O no hydrogen 2.639 N/A CYS 415.A N ASN 411.A O no hydrogen 2.696 N/A GLN 416.A N GLY 435.A O no hydrogen 2.776 N/A TYR 418.A N ARG 390.A O no hydrogen 2.993 N/A SER 419.A N ARG 432.A O no hydrogen 3.097 N/A SER 421.A N GLN 430.A O no hydrogen 2.980 N/A SER 423.A N TYR 428.A O no hydrogen 2.867 N/A SER 423.A OG ASP 26.A O no hydrogen 3.115 N/A SER 423.A OG TYR 428.A O no hydrogen 3.169 N/A LYS 424.A N SER 25.A O no hydrogen 3.502 N/A ALA 426.A N SER 423.A O no hydrogen 2.941 N/A LYS 427.A N SER 423.A OG no hydrogen 3.052 N/A TYR 428.A N SER 423.A OG no hydrogen 2.917 N/A TYR 428.A OH GLU 43.A OE1 no hydrogen 3.098 N/A TYR 429.A N HIS 444.A O no hydrogen 2.868 N/A TYR 429.A OH ASP 449.A OD2 no hydrogen 3.421 N/A GLN 430.A N SER 421.A O no hydrogen 2.857 N/A GLN 430.A NE2 TYR 19.A O no hydrogen 3.224 N/A LEU 431.A N THR 442.A O no hydrogen 2.932 N/A ARG 432.A N SER 419.A O no hydrogen 2.884 N/A CYS 433.A N LEU 440.A O no hydrogen 2.778 N/A CYS 433.A SG ARG 414.A O no hydrogen 3.956 N/A CYS 433.A SG GLY 435.A O no hydrogen 3.912 N/A SER 434.A N TYR 417.A O no hydrogen 3.126 N/A SER 434.A OG TYR 417.A O no hydrogen 3.420 N/A GLY 437.A N ARG 414.A O no hydrogen 2.816 N/A LEU 440.A N CYS 433.A O no hydrogen 3.103 N/A TYR 441.A N GLU 456.A O no hydrogen 2.741 N/A THR 442.A N LEU 431.A O no hydrogen 3.062 N/A THR 442.A OG1 LEU 431.A O no hydrogen 3.554 N/A THR 442.A OG1 HIS 444.A NE2 no hydrogen 2.808 N/A LEU 443.A N ARG 453.A O no hydrogen 3.114 N/A HIS 444.A N TYR 429.A O no hydrogen 2.757 N/A HIS 444.A NE2 THR 442.A OG1 no hydrogen 2.808 N/A SER 445.A OG ASN 448.A OD1 no hydrogen 2.997 N/A SER 446.A N LYS 427.A O no hydrogen 2.954 N/A SER 446.A OG ALA 426.A O no hydrogen 3.126 N/A SER 446.A OG LYS 427.A O no hydrogen 3.144 N/A ASP 449.A N SER 445.A O no hydrogen 3.031 N/A LEU 452.A N LEU 443.A O no hydrogen 3.228 N/A LEU 455.A N TYR 441.A O no hydrogen 2.764 N/A GLU 456.A N TYR 441.A O no hydrogen 3.066 N/A ASN 458.A N GLU 456.A OE2 no hydrogen 2.805 N/A ASN 458.A ND2 LYS 17.A O no hydrogen 3.224 N/A ASN 458.A ND2 PRO 439.A O no hydrogen 3.311 N/A SER 459.A OG ASP 457.A OD1 no hydrogen 3.363 N/A SER 459.A OG ASP 457.A OD2 no hydrogen 3.195 N/A ASP 462.A N ASN 458.A O no hydrogen 2.999 N/A LYS 463.A N SER 459.A O no hydrogen 3.123 N/A LEU 465.A N LEU 461.A O no hydrogen 2.986 N/A ASN 467.A N MET 464.A O no hydrogen 3.341 N/A VAL 468.A N LEU 465.A O no hydrogen 3.210 N/A GLN 469.A N LYS 2.A O no hydrogen 3.209 N/A SER 472.A N LEU 491.A O no hydrogen 2.910 N/A LYS 473.A NZ GLN 488.A OE1 no hydrogen 3.224 N/A LYS 473.A NZ ASP 517.A O no hydrogen 2.729 N/A LYS 473.A NZ ASP 517.A OD1 no hydrogen 3.519 N/A LYS 473.A NZ VAL 519.A O no hydrogen 2.918 N/A LYS 474.A N MET 489.A O no hydrogen 2.941 N/A LYS 474.A NZ TYR 487.A OH no hydrogen 2.804 N/A ASP 476.A N TYR 487.A O no hydrogen 3.165 N/A PHE 477.A N ASP 476.A OD1 no hydrogen 2.744 N/A ILE 478.A N PHE 485.A O no hydrogen 3.028 N/A LEU 480.A N THR 483.A O no hydrogen 2.940 N/A THR 483.A N LEU 480.A O no hydrogen 2.960 N/A THR 483.A OG1 LEU 480.A O no hydrogen 3.555 N/A THR 483.A OG1 ASN 481.A O no hydrogen 3.162 N/A PHE 485.A N ILE 478.A O no hydrogen 2.934 N/A TYR 487.A N ASP 476.A O no hydrogen 2.817 N/A GLN 488.A N SER 538.A O no hydrogen 2.808 N/A MET 489.A N LYS 474.A O no hydrogen 2.818 N/A ILE 490.A N VAL 536.A O no hydrogen 3.003 N/A LEU 491.A N SER 472.A O no hydrogen 2.797 N/A HIS 494.A NE2 GLN 469.A OE1 no hydrogen 2.751 N/A ASP 496.A N TYR 501.A OH no hydrogen 3.125 N/A SER 498.A N ASP 496.A OD1 no hydrogen 3.435 N/A SER 498.A OG ASP 496.A OD1 no hydrogen 2.848 N/A SER 498.A OG ASP 496.A OD2 no hydrogen 3.060 N/A LYS 499.A N ASP 496.A O no hydrogen 3.115 N/A LYS 500.A NZ GLY 578.A O no hydrogen 3.118 N/A TYR 501.A N PHE 579.A O no hydrogen 2.797 N/A LEU 503.A N ARG 584.A O no hydrogen 3.213 N/A LEU 504.A N ILE 535.A O no hydrogen 2.781 N/A LEU 505.A N ALA 586.A O no hydrogen 2.848 N/A ASP 506.A N ALA 537.A O no hydrogen 2.723 N/A VAL 507.A N TRP 588.A O no hydrogen 2.976 N/A CYS 512.A N GLY 543.A O no hydrogen 2.768 N/A SER 513.A N GLY 510.A O no hydrogen 3.139 N/A SER 513.A OG GLY 510.A O no hydrogen 2.792 N/A GLN 514.A NE2 PRO 387.A O no hydrogen 2.699 N/A LYS 515.A N ASP 540.A OD1 no hydrogen 2.660 N/A LYS 515.A NZ ASP 506.A OD1 no hydrogen 2.813 N/A ALA 516.A N ASP 540.A OD2 no hydrogen 2.923 N/A ASP 517.A N GLN 488.A OE1 no hydrogen 2.908 N/A THR 518.A N GLY 388.A O no hydrogen 3.115 N/A THR 518.A OG1 GLY 388.A O no hydrogen 3.241 N/A VAL 519.A N ASP 517.A OD1 no hydrogen 3.220 N/A PHE 520.A N SER 434.A O no hydrogen 2.744 N/A ARG 521.A NH1 ASP 517.A OD1 no hydrogen 2.913 N/A ARG 521.A NH2 ASP 517.A OD1 no hydrogen 2.929 N/A ARG 521.A NH2 ASP 517.A OD2 no hydrogen 2.718 N/A ASN 523.A N THR 526.A OG1 no hydrogen 3.188 N/A TRP 524.A NE1 SER 717.A OG no hydrogen 2.788 N/A THR 526.A N ASN 523.A OD1 no hydrogen 3.404 N/A THR 526.A OG1 ARG 521.A O no hydrogen 3.399 N/A THR 526.A OG1 ASN 523.A OD1 no hydrogen 3.270 N/A TYR 527.A OH GLU 532.A OE2 no hydrogen 3.059 N/A LEU 528.A N TRP 524.A O no hydrogen 3.145 N/A ALA 529.A N ALA 525.A O no hydrogen 3.056 N/A SER 530.A N THR 526.A O no hydrogen 3.001 N/A SER 530.A OG THR 3.A OG1 no hydrogen 2.706 N/A SER 530.A OG GLN 469.A O no hydrogen 2.872 N/A THR 531.A N TYR 527.A O no hydrogen 2.877 N/A THR 531.A OG1 THR 3.A OG1 no hydrogen 3.178 N/A THR 531.A OG1 TYR 4.A O no hydrogen 2.683 N/A ILE 534.A N LEU 528.A O no hydrogen 2.907 N/A ILE 535.A N PRO 502.A O no hydrogen 2.922 N/A VAL 536.A N ILE 490.A O no hydrogen 3.322 N/A ALA 537.A N LEU 504.A O no hydrogen 2.855 N/A SER 538.A N GLN 488.A O no hydrogen 2.934 N/A SER 538.A OG ASP 506.A O no hydrogen 3.285 N/A ASP 540.A N TRP 486.A O no hydrogen 3.090 N/A ARG 542.A N ASP 566.A OD2 no hydrogen 2.856 N/A ARG 542.A NE ASP 566.A OD1 no hydrogen 3.311 N/A ARG 542.A NE ASP 566.A OD2 no hydrogen 2.986 N/A ARG 542.A NH2 ASP 566.A OD1 no hydrogen 2.683 N/A GLY 543.A N ILE 551.A O no hydrogen 2.714 N/A SER 544.A N GLY 541.A O no hydrogen 3.407 N/A SER 544.A OG GLY 541.A O no hydrogen 2.523 N/A GLY 545.A N SER 513.A O no hydrogen 3.102 N/A GLN 547.A NE2 SER 544.A OG no hydrogen 2.970 N/A GLN 547.A NE2 GLY 545.A O no hydrogen 3.251 N/A ASP 549.A N GLY 341.A O no hydrogen 2.730 N/A ILE 551.A N GLY 548.A O no hydrogen 3.207 N/A MET 552.A N GLY 548.A O no hydrogen 3.101 N/A HIS 553.A N ASP 549.A O no hydrogen 2.935 N/A ALA 554.A N ILE 551.A O no hydrogen 3.330 N/A ASN 556.A N HIS 553.A O no hydrogen 3.217 N/A ARG 557.A N TYR 631.A O no hydrogen 2.706 N/A ARG 557.A NH2 ASP 639.A O no hydrogen 3.370 N/A ARG 558.A N ILE 555.A O no hydrogen 3.069 N/A ARG 558.A NH1 THR 561.A OG1 no hydrogen 3.277 N/A GLY 560.A N GLU 563.A OE1 no hydrogen 3.198 N/A GLY 560.A N GLU 563.A OE2 no hydrogen 2.611 N/A THR 561.A N GLU 563.A OE1 no hydrogen 2.927 N/A THR 561.A OG1 ARG 558.A O no hydrogen 2.532 N/A PHE 562.A N THR 561.A OG1 no hydrogen 2.644 N/A GLU 563.A N GLU 563.A OE1 no hydrogen 2.701 N/A VAL 564.A N THR 561.A O no hydrogen 3.187 N/A GLU 565.A N THR 561.A O no hydrogen 2.991 N/A ASP 566.A N PHE 562.A O no hydrogen 2.815 N/A GLN 567.A NE2 PHE 539.A O no hydrogen 2.802 N/A ILE 568.A N VAL 564.A O no hydrogen 3.460 N/A GLU 569.A N GLU 565.A O no hydrogen 2.895 N/A ALA 570.A N ASP 566.A O no hydrogen 2.911 N/A ALA 571.A N GLN 567.A O no hydrogen 3.326 N/A ARG 572.A N ILE 568.A O no hydrogen 3.295 N/A GLN 573.A N GLU 569.A O no hydrogen 3.223 N/A PHE 574.A N ALA 570.A O no hydrogen 3.100 N/A SER 575.A N ALA 571.A O no hydrogen 3.224 N/A SER 575.A OG ALA 571.A O no hydrogen 3.218 N/A SER 575.A OG ARG 572.A O no hydrogen 2.732 N/A LYS 576.A N ARG 572.A O no hydrogen 3.008 N/A MET 577.A N PHE 574.A O no hydrogen 3.262 N/A GLY 578.A N SER 575.A O no hydrogen 3.134 N/A ASP 581.A N TYR 501.A O no hydrogen 2.712 N/A LYS 583.A N ASP 581.A OD1 no hydrogen 3.275 N/A ARG 584.A N ASP 581.A O no hydrogen 2.806 N/A ARG 584.A NE ASP 581.A OD2 no hydrogen 2.758 N/A ARG 584.A NH1 PHE 724.A O no hydrogen 2.801 N/A ARG 584.A NH2 ASP 581.A OD2 no hydrogen 3.330 N/A ALA 586.A N LEU 503.A O no hydrogen 2.877 N/A ILE 587.A N CYS 610.A O no hydrogen 3.185 N/A TRP 588.A N LEU 505.A O no hydrogen 3.097 N/A TRP 588.A NE1 ASP 506.A OD2 no hydrogen 3.211 N/A GLY 589.A N ILE 612.A O no hydrogen 3.156 N/A TRP 590.A NE1 HIS 701.A O no hydrogen 3.007 N/A SER 591.A N VAL 614.A O no hydrogen 3.113 N/A SER 591.A OG HIS 701.A NE2 no hydrogen 3.187 N/A TYR 592.A OH GLU 563.A OE2 no hydrogen 2.676 N/A TYR 595.A OH SER 647.A O no hydrogen 2.689 N/A VAL 596.A N TYR 592.A O no hydrogen 3.019 N/A THR 597.A N GLY 593.A O no hydrogen 2.741 N/A THR 597.A OG1 GLY 593.A O no hydrogen 2.728 N/A SER 598.A N GLY 594.A O no hydrogen 2.962 N/A SER 598.A OG GLY 594.A O no hydrogen 2.923 N/A SER 598.A OG TYR 661.A OH no hydrogen 2.654 N/A MET 599.A N TYR 595.A O no hydrogen 2.799 N/A VAL 600.A N VAL 596.A O no hydrogen 2.787 N/A LEU 601.A N THR 597.A O no hydrogen 3.069 N/A GLY 602.A N MET 599.A O no hydrogen 3.240 N/A SER 603.A N VAL 600.A O no hydrogen 2.919 N/A SER 603.A OG VAL 600.A O no hydrogen 2.668 N/A LYS 609.A N ILE 585.A O no hydrogen 2.830 N/A LYS 609.A NZ CYS 723.A O no hydrogen 2.780 N/A GLY 611.A N GLU 660.A O no hydrogen 3.003 N/A ILE 612.A N ILE 587.A O no hydrogen 2.941 N/A ALA 613.A N LEU 662.A O no hydrogen 2.841 N/A VAL 614.A N GLY 589.A O no hydrogen 2.981 N/A ALA 615.A N ILE 664.A O no hydrogen 2.699 N/A SER 618.A N GLN 676.A OE1 no hydrogen 2.842 N/A SER 618.A OG GLN 676.A O no hydrogen 2.826 N/A SER 618.A OG GLN 676.A OE1 no hydrogen 3.569 N/A ARG 619.A N GLN 676.A OE1 no hydrogen 3.445 N/A TYR 622.A N ARG 619.A O no hydrogen 3.015 N/A TYR 623.A OH GLU 167.A OE2 no hydrogen 2.840 N/A TYR 623.A OH ASN 671.A OD1 no hydrogen 2.693 N/A SER 625.A N PRO 218.A O no hydrogen 2.713 N/A SER 625.A OG PRO 218.A O no hydrogen 3.426 N/A SER 625.A OG ASN 224.A OD1 no hydrogen 2.617 N/A TYR 627.A N ASP 624.A OD1 no hydrogen 2.999 N/A THR 628.A N ASP 624.A O no hydrogen 3.201 N/A THR 628.A OG1 ASP 624.A O no hydrogen 2.703 N/A GLU 629.A N SER 625.A O no hydrogen 2.734 N/A ARG 630.A N TYR 627.A O no hydrogen 3.230 N/A ARG 630.A NE TYR 631.A OH no hydrogen 3.304 N/A TYR 631.A N THR 628.A O no hydrogen 3.195 N/A MET 632.A N THR 628.A O no hydrogen 2.727 N/A GLY 633.A N GLU 629.A O no hydrogen 2.975 N/A LEU 634.A N ASP 639.A OD2 no hydrogen 3.216 N/A GLU 638.A N GLU 638.A OE1 no hydrogen 2.695 N/A ASP 639.A N THR 636.A O no hydrogen 2.814 N/A ASN 640.A N LEU 634.A O no hydrogen 3.215 N/A ASN 640.A ND2 ARG 557.A O no hydrogen 3.555 N/A ASN 640.A ND2 MET 632.A O no hydrogen 2.814 N/A LEU 641.A N THR 636.A O no hydrogen 3.146 N/A HIS 643.A N ASN 640.A O no hydrogen 3.229 N/A HIS 643.A ND1 ASN 640.A OD1 no hydrogen 2.938 N/A TYR 644.A N ASN 640.A O no hydrogen 3.385 N/A TYR 644.A OH GLY 633.A O no hydrogen 2.662 N/A ARG 645.A N LEU 641.A O no hydrogen 3.088 N/A ARG 645.A NE GLU 621.A OE2 no hydrogen 2.966 N/A ARG 645.A NH2 GLU 621.A OE2 no hydrogen 3.092 N/A ASN 646.A N ASP 642.A O no hydrogen 3.195 N/A SER 647.A OG HIS 643.A O no hydrogen 3.153 N/A SER 647.A OG TYR 644.A O no hydrogen 3.316 N/A THR 648.A OG1 SER 651.A OG no hydrogen 3.420 N/A VAL 649.A N SER 618.A O no hydrogen 2.936 N/A SER 651.A N THR 648.A OG1 no hydrogen 3.398 N/A SER 651.A OG THR 648.A O no hydrogen 3.161 N/A SER 651.A OG THR 648.A OG1 no hydrogen 3.420 N/A ARG 652.A N VAL 649.A O no hydrogen 3.127 N/A ARG 652.A NH1 MET 599.A O no hydrogen 2.798 N/A ASN 655.A ND2 GLY 602.A O no hydrogen 2.646 N/A PHE 656.A N ALA 653.A O no hydrogen 3.234 N/A LYS 657.A N GLU 654.A O no hydrogen 3.224 N/A LYS 657.A NZ VAL 687.A O no hydrogen 3.465 N/A GLN 658.A N ASN 655.A O no hydrogen 3.373 N/A VAL 659.A N PHE 656.A O no hydrogen 3.167 N/A GLU 660.A N LYS 609.A O no hydrogen 3.058 N/A TYR 661.A OH SER 598.A OG no hydrogen 2.654 N/A LEU 662.A N GLY 611.A O no hydrogen 2.975 N/A LEU 663.A N GLN 692.A O no hydrogen 2.785 N/A ILE 664.A N ALA 613.A O no hydrogen 2.943 N/A HIS 665.A N MET 694.A O no hydrogen 3.206 N/A HIS 665.A ND1 SER 677.A OG no hydrogen 2.634 N/A HIS 665.A NE2 VAL 672.A O no hydrogen 2.623 N/A THR 667.A N TYR 696.A O no hydrogen 2.871 N/A THR 667.A OG1 TYR 696.A O no hydrogen 3.321 N/A ALA 668.A N GLU 699.A O no hydrogen 3.094 N/A ASN 671.A ND2 GLU 166.A OE2 no hydrogen 2.945 N/A VAL 672.A N ASP 669.A OD1 no hydrogen 2.763 N/A GLN 676.A N HIS 673.A O no hydrogen 2.826 N/A SER 677.A OG HIS 665.A ND1 no hydrogen 2.634 N/A ALA 678.A N PHE 674.A O no hydrogen 2.810 N/A GLN 679.A N GLN 675.A O no hydrogen 2.853 N/A ILE 680.A N GLN 676.A O no hydrogen 3.364 N/A SER 681.A N SER 677.A O no hydrogen 2.967 N/A SER 681.A OG SER 677.A O no hydrogen 3.415 N/A SER 681.A OG ALA 678.A O no hydrogen 2.996 N/A LYS 682.A N ALA 678.A O no hydrogen 3.239 N/A LYS 682.A NZ GLN 679.A OE1 no hydrogen 3.203 N/A ALA 683.A N GLN 679.A O no hydrogen 3.096 N/A LEU 684.A N ILE 680.A O no hydrogen 2.999 N/A VAL 685.A N SER 681.A O no hydrogen 2.990 N/A ASP 686.A N LYS 682.A O no hydrogen 2.940 N/A GLY 688.A N VAL 685.A O no hydrogen 3.477 N/A VAL 689.A N LEU 684.A O no hydrogen 2.912 N/A GLN 692.A N TYR 661.A O no hydrogen 2.707 N/A MET 694.A N LEU 663.A O no hydrogen 3.033 N/A TYR 696.A N HIS 665.A O no hydrogen 2.946 N/A TYR 696.A OH HIS 711.A ND1 no hydrogen 2.817 N/A ASP 698.A N THR 667.A OG1 no hydrogen 2.914 N/A GLU 699.A N TYR 696.A O no hydrogen 3.330 N/A ASP 700.A N ASP 700.A OD1 no hydrogen 2.685 N/A HIS 701.A ND1 ASP 669.A OD2 no hydrogen 3.076 N/A ILE 703.A N ASP 700.A O no hydrogen 3.283 N/A SER 705.A OG GLU 699.A OE1 no hydrogen 3.423 N/A SER 705.A OG GLU 699.A OE2 no hydrogen 2.684 N/A HIS 709.A N SER 705.A O no hydrogen 2.801 N/A GLN 710.A N SER 706.A O no hydrogen 3.321 N/A GLN 710.A NE2 SER 706.A O no hydrogen 3.244 N/A HIS 711.A N THR 707.A O no hydrogen 3.157 N/A HIS 711.A ND1 TYR 696.A OH no hydrogen 2.817 N/A ILE 712.A N ALA 708.A O no hydrogen 2.974 N/A TYR 713.A N HIS 709.A O no hydrogen 3.446 N/A THR 714.A N GLN 710.A O no hydrogen 3.043 N/A THR 714.A OG1 GLN 710.A O no hydrogen 2.727 N/A HIS 715.A N HIS 711.A O no hydrogen 2.987 N/A MET 716.A N ILE 712.A O no hydrogen 2.814 N/A SER 717.A N TYR 713.A O no hydrogen 3.183 N/A SER 717.A OG TYR 713.A O no hydrogen 2.683 N/A HIS 718.A N THR 714.A O no hydrogen 3.109 N/A PHE 719.A N HIS 715.A O no hydrogen 3.246 N/A ILE 720.A N MET 716.A O no hydrogen 2.929 N/A LYS 721.A N SER 717.A O no hydrogen 2.810 N/A LYS 721.A NZ GLU 532.A OE2 no hydrogen 3.192 N/A GLN 722.A N HIS 718.A O no hydrogen 3.201 N/A GLN 722.A NE2 GLU 660.A OE1 no hydrogen 3.184 N/A GLN 722.A NE2 PHE 719.A O no hydrogen 2.874 N/A CYS 723.A N PHE 719.A O no hydrogen 3.212 N/A PHE 724.A N ILE 720.A O no hydrogen 2.963 N/A