Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N SER 34.A O no hydrogen 2.804 N/A SER 2.A OG THR 77.A OG1 no hydrogen 2.697 N/A VAL 3.A N THR 77.A O no hydrogen 2.760 N/A VAL 4.A N SER 51.A O no hydrogen 3.019 N/A VAL 6.A N VAL 49.A O no hydrogen 2.796 N/A GLY 7.A N VAL 49.A O no hydrogen 3.346 N/A ARG 8.A N GLN 22.A O no hydrogen 3.005 N/A ARG 8.A NE GLU 44.A O no hydrogen 3.138 N/A ARG 8.A NH1 GLN 22.A OE1 no hydrogen 2.758 N/A ARG 8.A NH2 GLN 42.A O no hydrogen 3.279 N/A ILE 9.A N VAL 47.A O no hydrogen 2.967 N/A ILE 10.A N TYR 20.A O no hydrogen 2.740 N/A SER 12.A N THR 18.A O no hydrogen 2.731 N/A SER 12.A OG SER 16.A O no hydrogen 3.189 N/A SER 12.A OG THR 18.A O no hydrogen 3.284 N/A THR 18.A N SER 12.A OG no hydrogen 2.935 N/A TYR 20.A N ILE 10.A O no hydrogen 2.888 N/A GLN 22.A N ARG 8.A O no hydrogen 2.850 N/A THR 24.A N VAL 6.A O no hydrogen 2.811 N/A ARG 25.A N VAL 6.A O no hydrogen 3.066 N/A ARG 25.A NH2 ASP 39.A OD1 no hydrogen 2.831 N/A CYS 30.A N GLY 26.A O no hydrogen 2.931 N/A ILE 31.A N LEU 27.A O no hydrogen 3.106 N/A ILE 32.A N LEU 28.A O no hydrogen 3.057 N/A THR 33.A N GLY 29.A O no hydrogen 3.244 N/A THR 33.A OG1 GLY 29.A O no hydrogen 2.680 N/A SER 34.A N CYS 30.A O no hydrogen 2.974 N/A SER 34.A OG SER 2.A O no hydrogen 2.985 N/A LEU 35.A N ILE 31.A O no hydrogen 3.323 N/A THR 36.A N ILE 32.A O no hydrogen 3.003 N/A THR 36.A OG1 ILE 32.A O no hydrogen 3.292 N/A GLY 37.A N THR 33.A O no hydrogen 2.932 N/A ARG 38.A N THR 36.A OG1 no hydrogen 3.170 N/A ASP 39.A N GLY 80.A O no hydrogen 2.757 N/A ASN 41.A N ASP 39.A OD1 no hydrogen 3.123 N/A GLN 48.A N ALA 59.A O no hydrogen 2.733 N/A GLN 48.A NE2 GLU 44.A O no hydrogen 3.130 N/A VAL 49.A N GLY 7.A O no hydrogen 3.175 N/A VAL 50.A N PHE 57.A O no hydrogen 3.016 N/A SER 51.A N VAL 4.A O no hydrogen 2.821 N/A SER 51.A OG THR 52.A O no hydrogen 2.729 N/A SER 51.A OG GLN 55.A O no hydrogen 3.280 N/A THR 52.A N GLN 55.A O no hydrogen 2.957 N/A THR 52.A OG1 GLN 55.A O no hydrogen 3.156 N/A GLN 55.A N THR 52.A OG1 no hydrogen 3.143 N/A GLN 55.A NE2 HIS 71.A O no hydrogen 3.637 N/A SER 56.A OG VAL 50.A O no hydrogen 2.962 N/A PHE 57.A N VAL 50.A O no hydrogen 3.104 N/A LEU 58.A N SER 153.A O no hydrogen 2.790 N/A ALA 59.A N GLN 48.A O no hydrogen 2.940 N/A THR 60.A N TRP 67.A O no hydrogen 2.891 N/A THR 60.A OG1 GLY 154.A O no hydrogen 2.721 N/A CYS 61.A N GLU 46.A O no hydrogen 2.918 N/A CYS 61.A SG GLU 46.A O no hydrogen 3.996 N/A VAL 62.A N VAL 65.A O no hydrogen 2.971 N/A GLY 64.A N SER 107.A OG no hydrogen 3.022 N/A CYS 66.A N TRP 99.A O no hydrogen 2.809 N/A TRP 67.A N THR 60.A O no hydrogen 2.999 N/A TRP 67.A NE1 VAL 62.A O no hydrogen 2.953 N/A THR 68.A N VAL 97.A O no hydrogen 2.948 N/A THR 68.A OG1 LEU 58.A O no hydrogen 2.665 N/A VAL 69.A N THR 68.A OG1 no hydrogen 2.800 N/A TYR 70.A N ASP 95.A O no hydrogen 3.388 N/A TYR 70.A OH SER 497.A O no hydrogen 2.677 N/A HIS 71.A N ASP 95.A OD1 no hydrogen 2.880 N/A HIS 71.A ND1 ASP 95.A OD2 no hydrogen 2.782 N/A HIS 71.A NE2 THR 645.A O no hydrogen 2.764 N/A GLY 72.A N VAL 69.A O no hydrogen 3.371 N/A ALA 73.A N VAL 69.A O no hydrogen 3.111 N/A GLY 74.A N TYR 70.A O no hydrogen 2.745 N/A SER 75.A OG GLY 341.A O no hydrogen 2.749 N/A LYS 76.A N ALA 73.A O no hydrogen 2.968 N/A THR 77.A OG1 SER 2.A OG no hydrogen 2.697 N/A LEU 78.A N ILE 85.A O no hydrogen 3.011 N/A ALA 79.A N VAL 3.A O no hydrogen 2.976 N/A GLY 80.A N GLY 37.A O no hydrogen 3.164 N/A GLY 80.A N GLY 83.A O no hydrogen 3.174 N/A ILE 85.A N LEU 78.A O no hydrogen 2.722 N/A GLN 87.A NE2 GLY 74.A O no hydrogen 3.147 N/A MET 88.A N GLY 98.A O no hydrogen 2.795 N/A TYR 89.A N GLY 98.A O no hydrogen 3.111 N/A THR 90.A OG1 GLN 87.A OE1 no hydrogen 2.656 N/A ASN 91.A N LEU 96.A O no hydrogen 2.760 N/A GLN 94.A N ASN 91.A OD1 no hydrogen 2.914 N/A ASP 95.A N VAL 92.A O no hydrogen 3.205 N/A LEU 96.A N ASN 91.A O no hydrogen 2.880 N/A VAL 97.A N THR 68.A O no hydrogen 2.803 N/A GLY 98.A N TYR 89.A O no hydrogen 2.899 N/A TRP 99.A N CYS 66.A O no hydrogen 3.023 N/A ALA 101.A N GLY 64.A O no hydrogen 2.805 N/A ALA 105.A N PRO 102.A O no hydrogen 2.853 N/A LEU 108.A N CYS 61.A O no hydrogen 2.680 N/A THR 109.A OG1 HIS 163.A ND1 no hydrogen 2.908 N/A CYS 111.A N ALA 164.A O no hydrogen 2.843 N/A ASP 117.A N SER 115.A OG no hydrogen 3.284 N/A LEU 118.A N VAL 130.A O no hydrogen 2.818 N/A TYR 119.A N LEU 158.A O no hydrogen 2.811 N/A LEU 120.A N ILE 128.A O no hydrogen 2.874 N/A VAL 121.A N PRO 156.A O no hydrogen 3.155 N/A THR 122.A N ASP 126.A O no hydrogen 2.961 N/A THR 122.A OG1 ASP 126.A O no hydrogen 3.487 N/A ARG 123.A N SER 152.A OG no hydrogen 2.982 N/A ALA 125.A N THR 122.A O no hydrogen 2.987 N/A ASP 126.A N THR 122.A OG1 no hydrogen 3.377 N/A ILE 128.A N LEU 120.A O no hydrogen 2.782 N/A VAL 130.A N LEU 118.A O no hydrogen 2.907 N/A ARG 131.A N SER 139.A O no hydrogen 2.729 N/A ARG 132.A N SER 116.A O no hydrogen 3.016 N/A ARG 132.A NH1 GLY 134.A O no hydrogen 3.126 N/A ARG 132.A NH1 ASP 135.A O no hydrogen 3.077 N/A ARG 133.A N ARG 137.A O no hydrogen 3.027 N/A ARG 137.A NE ASP 182.A OD1 no hydrogen 2.789 N/A ARG 137.A NH2 GLU 642.A OE2 no hydrogen 3.108 N/A GLY 138.A N VAL 181.A O no hydrogen 3.120 N/A SER 139.A N ARG 131.A O no hydrogen 2.793 N/A LEU 140.A N LYS 179.A O no hydrogen 2.989 N/A LEU 141.A N PRO 129.A O no hydrogen 3.266 N/A ARG 144.A N ALA 178.A O no hydrogen 3.069 N/A VAL 146.A N GLY 176.A O no hydrogen 3.233 N/A TYR 148.A N PRO 145.A O no hydrogen 3.379 N/A TYR 148.A OH ASP 126.A OD2 no hydrogen 2.719 N/A LEU 149.A N VAL 146.A O no hydrogen 2.866 N/A LYS 150.A N SER 147.A O no hydrogen 3.354 N/A LYS 150.A NZ VAL 644.A O no hydrogen 3.392 N/A GLY 151.A N THR 645.A OXT no hydrogen 3.077 N/A SER 152.A N LEU 149.A O no hydrogen 3.185 N/A SER 153.A N THR 645.A OXT no hydrogen 3.165 N/A SER 153.A OG HIS 71.A NE2 no hydrogen 3.310 N/A SER 153.A OG ARG 169.A O no hydrogen 3.116 N/A SER 153.A OG THR 645.A OG1 no hydrogen 2.789 N/A GLY 154.A N PHE 168.A O no hydrogen 2.839 N/A GLY 155.A N SER 152.A O no hydrogen 3.072 N/A LEU 157.A N GLY 166.A O no hydrogen 2.978 N/A LEU 158.A N TYR 119.A O no hydrogen 2.738 N/A CYS 159.A N HIS 163.A O no hydrogen 2.921 N/A CYS 159.A SG SER 161.A OG no hydrogen 3.035 N/A CYS 159.A SG HIS 163.A O no hydrogen 3.568 N/A GLY 162.A N CYS 159.A O no hydrogen 2.939 N/A HIS 163.A ND1 THR 109.A O no hydrogen 2.922 N/A ALA 164.A N THR 109.A O no hydrogen 3.157 N/A VAL 165.A N LEU 157.A O no hydrogen 2.918 N/A ILE 167.A N VAL 184.A O no hydrogen 3.038 N/A PHE 168.A N GLY 155.A O no hydrogen 2.792 N/A ARG 169.A N ASP 182.A O no hydrogen 3.008 N/A ARG 169.A NE ASP 95.A OD2 no hydrogen 2.926 N/A ARG 169.A NH1 ASP 182.A OD2 no hydrogen 3.068 N/A ARG 169.A NH1 GLU 642.A OE1 no hydrogen 2.941 N/A ARG 169.A NH2 ASP 95.A OD2 no hydrogen 3.457 N/A ARG 169.A NH2 GLN 540.A OE1 no hydrogen 3.024 N/A ALA 170.A N ASP 182.A O no hydrogen 3.392 N/A ALA 171.A N VAL 643.A O no hydrogen 2.937 N/A VAL 172.A N ALA 180.A O no hydrogen 2.807 N/A CYS 173.A N LEU 641.A O no hydrogen 2.789 N/A THR 174.A N VAL 177.A O no hydrogen 2.995 N/A ARG 175.A NH1 SER 638.A OG no hydrogen 2.791 N/A VAL 177.A N THR 174.A O no hydrogen 3.041 N/A ALA 178.A N ARG 144.A O no hydrogen 2.780 N/A LYS 179.A N VAL 172.A O no hydrogen 2.853 N/A VAL 181.A N GLY 138.A O no hydrogen 2.804 N/A ASP 182.A N ALA 170.A O no hydrogen 2.721 N/A PHE 183.A N SER 136.A O no hydrogen 3.105 N/A VAL 184.A N ILE 167.A O no hydrogen 2.862 N/A VAL 186.A N VAL 165.A O no hydrogen 2.785 N/A MET 189.A N PRO 185.A O no hydrogen 3.427 N/A GLU 190.A N VAL 186.A O no hydrogen 3.053 N/A THR 191.A N GLU 187.A O no hydrogen 2.974 N/A THR 191.A OG1 GLU 187.A O no hydrogen 2.795 N/A THR 192.A N SER 188.A O no hydrogen 3.363 N/A THR 192.A OG1 GLN 94.A OE1 no hydrogen 3.456 N/A THR 192.A OG1 SER 188.A O no hydrogen 2.970 N/A MET 193.A N MET 189.A O no hydrogen 3.047 N/A ARG 194.A N THR 191.A O no hydrogen 2.874 N/A SER 195.A N THR 192.A O no hydrogen 3.086 N/A SER 195.A OG THR 191.A O no hydrogen 3.150 N/A SER 202.A N ASP 200.A OD1 no hydrogen 3.442 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 2.678 N/A GLN 212.A N ARG 330.A O no hydrogen 3.097 N/A ALA 214.A N VAL 332.A O no hydrogen 2.719 N/A LEU 216.A N LEU 334.A O no hydrogen 2.790 N/A HIS 217.A N ASN 201.A O no hydrogen 2.784 N/A ALA 218.A N THR 336.A O no hydrogen 3.423 N/A SER 222.A N PRO 219.A O no hydrogen 3.143 N/A SER 222.A OG PRO 219.A O no hydrogen 2.693 N/A LYS 224.A NZ THR 220.A OG1 no hydrogen 2.862 N/A SER 225.A OG ASP 304.A OD2 no hydrogen 3.068 N/A THR 226.A N GLY 223.A O no hydrogen 2.876 N/A VAL 228.A N GLY 223.A O no hydrogen 3.111 N/A ALA 230.A N THR 226.A O no hydrogen 3.262 N/A ALA 231.A N LYS 227.A O no hydrogen 2.925 N/A TYR 232.A N VAL 228.A O no hydrogen 3.100 N/A TYR 232.A OH PRO 205.A O no hydrogen 2.674 N/A ALA 233.A N PRO 229.A O no hydrogen 2.798 N/A ALA 234.A N ALA 230.A O no hydrogen 3.020 N/A GLN 235.A N ALA 231.A O no hydrogen 3.272 N/A GLY 236.A N ALA 233.A O no hydrogen 2.933 N/A TYR 237.A N TYR 232.A O no hydrogen 3.186 N/A LYS 238.A N ASP 299.A OD2 no hydrogen 2.793 N/A VAL 239.A N PRO 278.A O no hydrogen 2.793 N/A LEU 240.A N ILE 300.A O no hydrogen 2.837 N/A VAL 241.A N THR 280.A O no hydrogen 2.818 N/A LEU 242.A N ILE 302.A O no hydrogen 2.812 N/A ASN 243.A N SER 282.A O no hydrogen 3.122 N/A SER 245.A OG THR 430.A O no hydrogen 3.215 N/A ALA 248.A N SER 245.A OG no hydrogen 2.755 N/A THR 249.A N SER 245.A O no hydrogen 2.970 N/A THR 249.A OG1 SER 245.A O no hydrogen 2.892 N/A THR 249.A OG1 SER 282.A O no hydrogen 3.537 N/A LEU 250.A N VAL 246.A O no hydrogen 2.813 N/A GLY 251.A N ALA 247.A O no hydrogen 2.927 N/A PHE 252.A N ALA 248.A O no hydrogen 2.756 N/A GLY 253.A N THR 249.A O no hydrogen 3.091 N/A ALA 254.A N LEU 250.A O no hydrogen 2.973 N/A TYR 255.A N GLY 251.A O no hydrogen 3.058 N/A MET 256.A N PHE 252.A O no hydrogen 3.015 N/A SER 257.A OG GLY 253.A O no hydrogen 3.410 N/A SER 257.A OG ILE 262.A O no hydrogen 3.387 N/A LYS 258.A N ALA 254.A O no hydrogen 3.203 N/A ALA 259.A N TYR 255.A O no hydrogen 2.751 N/A ASN 265.A N VAL 279.A O no hydrogen 2.856 N/A ILE 266.A N ILE 273.A O no hydrogen 3.097 N/A ARG 267.A N TYR 281.A O no hydrogen 2.935 N/A ARG 267.A NE ASP 290.A OD2 no hydrogen 2.750 N/A ARG 267.A NH2 ASP 290.A OD1 no hydrogen 3.004 N/A ARG 267.A NH2 ASP 290.A OD2 no hydrogen 3.194 N/A THR 268.A N ARG 271.A O no hydrogen 3.041 N/A THR 268.A OG1 ARG 271.A O no hydrogen 2.615 N/A ARG 271.A N THR 268.A OG1 no hydrogen 2.918 N/A THR 272.A OG1 THR 268.A O no hydrogen 2.729 N/A ILE 273.A N ILE 266.A O no hydrogen 2.775 N/A THR 275.A OG1 ASP 263.A O no hydrogen 2.781 N/A ALA 277.A N THR 275.A OG1 no hydrogen 3.286 N/A THR 280.A N VAL 239.A O no hydrogen 3.048 N/A THR 280.A OG1 ASN 265.A OD1 no hydrogen 3.232 N/A THR 280.A OG1 TYR 298.A OH no hydrogen 2.845 N/A TYR 281.A N ASN 265.A O no hydrogen 2.821 N/A TYR 281.A OH SER 225.A O no hydrogen 2.663 N/A SER 282.A N VAL 241.A O no hydrogen 2.908 N/A SER 282.A OG ARG 267.A O no hydrogen 3.478 N/A SER 282.A OG THR 283.A O no hydrogen 3.057 N/A TYR 284.A N ASN 243.A O no hydrogen 3.403 N/A TYR 284.A OH ASP 304.A O no hydrogen 2.720 N/A LYS 286.A N THR 283.A OG1 no hydrogen 3.032 N/A PHE 287.A N THR 283.A O no hydrogen 3.034 N/A LEU 288.A N TYR 284.A O no hydrogen 3.006 N/A ALA 289.A N GLY 285.A O no hydrogen 2.867 N/A ASP 290.A N LYS 286.A O no hydrogen 2.796 N/A GLY 291.A N LEU 288.A O no hydrogen 3.167 N/A GLY 292.A N PHE 287.A O no hydrogen 3.043 N/A CYS 293.A N GLN 323.A OE1 no hydrogen 2.793 N/A GLY 296.A N ALA 327.A O no hydrogen 2.804 N/A ALA 297.A N SER 294.A O no hydrogen 3.206 N/A TYR 298.A OH THR 280.A OG1 no hydrogen 2.845 N/A ASP 299.A N LYS 238.A O no hydrogen 2.837 N/A ILE 300.A N LYS 238.A O no hydrogen 3.006 N/A ILE 301.A N LEU 331.A O no hydrogen 3.023 N/A ILE 302.A N LEU 240.A O no hydrogen 2.775 N/A CYS 303.A N VAL 333.A O no hydrogen 2.808 N/A ASP 304.A N LEU 242.A O no hydrogen 2.925 N/A GLU 305.A N ASP 304.A OD1 no hydrogen 2.958 N/A CYS 306.A N ALA 335.A O no hydrogen 3.023 N/A HIS 307.A ND1 THR 336.A OG1 no hydrogen 2.661 N/A SER 308.A N GLU 305.A O no hydrogen 2.963 N/A SER 308.A OG GLU 305.A O no hydrogen 2.717 N/A THR 312.A OG1 TYR 516.A OH no hydrogen 3.153 N/A THR 313.A N ASP 310.A OD2 no hydrogen 3.203 N/A THR 313.A OG1 ASP 310.A OD1 no hydrogen 2.692 N/A THR 313.A OG1 ASP 310.A OD2 no hydrogen 3.147 N/A ILE 314.A N ASP 310.A O no hydrogen 3.240 N/A LEU 315.A N SER 311.A O no hydrogen 2.932 N/A GLY 316.A N THR 312.A O no hydrogen 2.743 N/A ILE 317.A N THR 313.A O no hydrogen 2.765 N/A GLY 318.A N ILE 314.A O no hydrogen 2.954 N/A THR 319.A N LEU 315.A O no hydrogen 2.981 N/A THR 319.A OG1 LEU 315.A O no hydrogen 2.738 N/A VAL 320.A N GLY 316.A O no hydrogen 3.142 N/A LEU 321.A N ILE 317.A O no hydrogen 2.766 N/A ASP 322.A N GLY 318.A O no hydrogen 3.066 N/A GLN 323.A N THR 319.A O no hydrogen 2.801 N/A GLN 323.A N VAL 320.A O no hydrogen 3.277 N/A ALA 324.A N VAL 320.A O no hydrogen 2.818 N/A ALA 327.A N GLN 323.A O no hydrogen 3.000 N/A GLY 328.A N GLU 325.A O no hydrogen 3.032 N/A ALA 329.A N ALA 324.A O no hydrogen 2.995 N/A ARG 330.A N ASP 299.A O no hydrogen 2.763 N/A LEU 331.A N ASP 299.A O no hydrogen 3.268 N/A VAL 332.A N GLN 212.A O no hydrogen 3.011 N/A VAL 333.A N ILE 301.A O no hydrogen 2.845 N/A LEU 334.A N ALA 214.A O no hydrogen 2.793 N/A ALA 335.A N CYS 303.A O no hydrogen 2.869 N/A THR 336.A N LEU 216.A O no hydrogen 3.017 N/A THR 336.A OG1 HIS 307.A ND1 no hydrogen 2.661 N/A THR 338.A N THR 336.A OG1 no hydrogen 2.986 N/A THR 338.A OG1 GLN 474.A OE1 no hydrogen 3.555 N/A GLY 341.A N SER 497.A O no hydrogen 3.457 N/A SER 342.A N PRO 339.A O no hydrogen 3.070 N/A SER 342.A OG PRO 339.A O no hydrogen 3.047 N/A THR 344.A N GLU 494.A OE2 no hydrogen 3.130 N/A THR 344.A OG1 SER 473.A OG no hydrogen 3.292 N/A THR 344.A OG1 GLU 494.A OE1 no hydrogen 2.631 N/A THR 344.A OG1 GLU 494.A OE2 no hydrogen 3.563 N/A ASN 349.A ND2 GLY 480.A O no hydrogen 3.151 N/A GLU 351.A N GLY 485.A O no hydrogen 3.138 N/A VAL 353.A N TYR 487.A O no hydrogen 2.975 N/A LEU 355.A N PHE 489.A O no hydrogen 2.979 N/A ASN 357.A ND2 GLY 365.A O no hydrogen 3.016 N/A GLU 360.A N GLU 360.A OE1 no hydrogen 2.793 N/A ILE 361.A N ILE 368.A O no hydrogen 3.090 N/A PHE 363.A N LYS 366.A O no hydrogen 2.845 N/A TYR 364.A OH HIS 383.A ND1 no hydrogen 2.765 N/A LYS 366.A N PHE 363.A O no hydrogen 2.909 N/A ALA 367.A N SER 356.A O no hydrogen 2.837 N/A ILE 368.A N ILE 361.A O no hydrogen 2.796 N/A ILE 370.A N GLU 360.A OE1 no hydrogen 2.810 N/A ALA 372.A N PRO 369.A O no hydrogen 2.938 N/A ILE 373.A N ILE 370.A O no hydrogen 3.377 N/A ARG 377.A N ASP 437.A OD2 no hydrogen 2.789 N/A ARG 377.A NH1 PRO 415.A O no hydrogen 3.186 N/A ARG 377.A NH2 PRO 415.A O no hydrogen 2.812 N/A HIS 378.A N VAL 420.A O no hydrogen 2.949 N/A HIS 378.A ND1 SER 438.A OG no hydrogen 2.729 N/A HIS 378.A NE2 GLY 375.A O no hydrogen 2.857 N/A LEU 379.A N SER 438.A O no hydrogen 2.926 N/A ILE 380.A N VAL 422.A O no hydrogen 2.853 N/A PHE 381.A N ILE 440.A O no hydrogen 2.789 N/A CYS 382.A N ALA 424.A O no hydrogen 2.837 N/A HIS 383.A N TYR 364.A OH no hydrogen 2.970 N/A HIS 383.A ND1 TYR 364.A OH no hydrogen 2.765 N/A LYS 387.A N SER 384.A OG no hydrogen 3.152 N/A CYS 388.A N SER 384.A O no hydrogen 3.168 N/A CYS 388.A SG SER 384.A O no hydrogen 3.134 N/A CYS 388.A SG VAL 423.A O no hydrogen 3.783 N/A ASP 389.A N LYS 385.A O no hydrogen 2.979 N/A GLU 390.A N LYS 386.A O no hydrogen 2.905 N/A LEU 391.A N LYS 387.A O no hydrogen 2.976 N/A ALA 392.A N CYS 388.A O no hydrogen 2.878 N/A ALA 393.A N ASP 389.A O no hydrogen 3.029 N/A LYS 394.A N GLU 390.A O no hydrogen 3.403 N/A LEU 395.A N LEU 391.A O no hydrogen 3.061 N/A SER 396.A N ALA 392.A O no hydrogen 3.025 N/A GLY 397.A N ALA 393.A O no hydrogen 3.224 N/A LEU 398.A N LYS 394.A O no hydrogen 3.080 N/A ILE 400.A N LEU 395.A O no hydrogen 2.868 N/A ASN 401.A ND2 ASP 419.A O no hydrogen 3.071 N/A VAL 403.A N VAL 421.A O no hydrogen 3.046 N/A TYR 405.A N VAL 423.A O no hydrogen 3.037 N/A TYR 406.A OH ASP 389.A OD1 no hydrogen 2.886 N/A TYR 406.A OH ASP 389.A OD2 no hydrogen 2.855 N/A ARG 407.A NH1 ALA 567.A O no hydrogen 3.353 N/A LEU 409.A N TYR 406.A O no hydrogen 3.082 N/A SER 412.A N ASP 410.A OD1 no hydrogen 3.295 N/A SER 412.A OG ASP 410.A OD1 no hydrogen 2.716 N/A VAL 413.A N ASP 410.A O no hydrogen 3.178 N/A ILE 414.A N VAL 411.A O no hydrogen 3.000 N/A VAL 420.A N GLY 376.A O no hydrogen 3.042 N/A VAL 421.A N ASN 401.A O no hydrogen 3.069 N/A VAL 422.A N HIS 378.A O no hydrogen 2.911 N/A VAL 423.A N VAL 403.A O no hydrogen 2.830 N/A ALA 424.A N ILE 380.A O no hydrogen 2.871 N/A THR 425.A N TYR 405.A O no hydrogen 3.275 N/A LEU 428.A N THR 425.A O no hydrogen 3.330 N/A MET 429.A N ASP 426.A O no hydrogen 3.150 N/A THR 430.A OG1 ALA 427.A O no hydrogen 3.383 N/A GLY 431.A N ALA 427.A O no hydrogen 2.999 N/A GLY 431.A N LEU 428.A O no hydrogen 3.175 N/A TYR 432.A N LEU 428.A O no hydrogen 2.803 N/A ASP 437.A N ARG 377.A O no hydrogen 2.870 N/A SER 438.A OG HIS 378.A ND1 no hydrogen 2.729 N/A VAL 439.A N ILE 486.A O no hydrogen 2.817 N/A ILE 440.A N LEU 379.A O no hydrogen 2.800 N/A ASP 441.A N ARG 488.A O no hydrogen 2.753 N/A CYS 442.A N PHE 381.A O no hydrogen 3.327 N/A CYS 442.A SG PHE 381.A O no hydrogen 3.414 N/A CYS 442.A SG THR 444.A O no hydrogen 3.154 N/A CYS 442.A SG THR 444.A OG1 no hydrogen 3.745 N/A ASN 443.A N ASP 441.A OD1 no hydrogen 3.090 N/A ASN 443.A ND2 GLN 467.A OE1 no hydrogen 2.774 N/A CYS 445.A N VAL 465.A O no hydrogen 3.195 N/A THR 447.A N THR 463.A O no hydrogen 2.866 N/A GLN 448.A NE2 ASN 570.A OD1 no hydrogen 3.108 N/A THR 449.A N GLU 461.A O no hydrogen 2.920 N/A VAL 450.A N ASP 501.A OD2 no hydrogen 2.989 N/A ASP 451.A N THR 459.A O no hydrogen 2.809 N/A SER 453.A OG ASP 455.A OD1 no hydrogen 2.653 N/A SER 453.A OG THR 459.A OG1 no hydrogen 2.683 N/A LEU 454.A N THR 457.A O no hydrogen 2.823 N/A THR 457.A OG1 LEU 613.A O no hydrogen 2.719 N/A THR 459.A N ASP 451.A O no hydrogen 2.854 N/A THR 459.A OG1 SER 453.A OG no hydrogen 2.683 N/A ILE 460.A N ARG 615.A O no hydrogen 2.907 N/A GLU 461.A N THR 449.A O no hydrogen 2.790 N/A THR 463.A N THR 447.A O no hydrogen 2.987 N/A VAL 465.A N CYS 445.A O no hydrogen 2.918 N/A GLN 467.A N ASN 443.A O no hydrogen 2.787 N/A GLN 467.A NE2 ASP 441.A OD2 no hydrogen 3.010 N/A GLN 467.A NE2 SER 471.A OG no hydrogen 3.164 N/A ALA 469.A N ARG 495.A O no hydrogen 3.133 N/A SER 471.A N ASP 468.A OD1 no hydrogen 3.016 N/A ARG 472.A N ASP 468.A O no hydrogen 3.046 N/A ARG 472.A NH1 THR 491.A O no hydrogen 3.209 N/A ARG 472.A NH2 THR 491.A O no hydrogen 2.859 N/A SER 473.A N ALA 469.A O no hydrogen 3.067 N/A SER 473.A OG THR 344.A OG1 no hydrogen 3.292 N/A SER 473.A OG ALA 469.A O no hydrogen 2.944 N/A GLN 474.A N VAL 470.A O no hydrogen 3.017 N/A ARG 475.A N SER 471.A O no hydrogen 3.030 N/A ARG 475.A NE ASP 426.A OD1 no hydrogen 2.739 N/A ARG 475.A NH1 ASP 441.A OD1 no hydrogen 2.887 N/A ARG 475.A NH1 THR 444.A O no hydrogen 3.081 N/A ARG 475.A NH2 ASP 426.A OD1 no hydrogen 2.923 N/A ARG 475.A NH2 ASP 426.A OD2 no hydrogen 2.934 N/A ARG 475.A NH2 THR 444.A O no hydrogen 3.279 N/A ARG 476.A N ARG 472.A O no hydrogen 2.840 N/A ARG 476.A NH1 VAL 345.A O no hydrogen 3.012 N/A ARG 476.A NH2 VAL 345.A O no hydrogen 3.010 N/A GLY 477.A N SER 473.A O no hydrogen 2.868 N/A THR 479.A N ARG 476.A O no hydrogen 3.133 N/A THR 479.A OG1 PHE 436.A O no hydrogen 2.687 N/A GLY 485.A N ASN 349.A O no hydrogen 2.781 N/A ILE 486.A N ASP 437.A O no hydrogen 3.083 N/A TYR 487.A N GLU 351.A O no hydrogen 2.798 N/A TYR 487.A OH ASP 441.A OD2 no hydrogen 2.716 N/A ARG 488.A N VAL 439.A O no hydrogen 2.786 N/A PHE 489.A N VAL 353.A O no hydrogen 3.356 N/A VAL 490.A N ASP 441.A O no hydrogen 3.164 N/A THR 491.A N ASN 443.A OD1 no hydrogen 2.744 N/A ARG 495.A N GLN 467.A O no hydrogen 3.036 N/A ARG 495.A NE PRO 466.A O no hydrogen 2.775 N/A ARG 495.A NH2 PRO 466.A O no hydrogen 2.850 N/A SER 497.A OG SER 342.A O no hydrogen 3.157 N/A PHE 500.A N VAL 538.A O no hydrogen 2.854 N/A SER 502.A OG HIS 542.A ND1 no hydrogen 2.761 N/A SER 503.A N ASP 501.A OD2 no hydrogen 2.939 N/A SER 503.A OG GLN 448.A O no hydrogen 3.094 N/A SER 503.A OG ASP 501.A OD2 no hydrogen 3.320 N/A VAL 504.A N ASP 501.A O no hydrogen 2.952 N/A LEU 505.A N SER 502.A O no hydrogen 2.882 N/A CYS 506.A N SER 502.A O no hydrogen 3.290 N/A GLU 507.A N SER 503.A O no hydrogen 3.024 N/A CYS 508.A N VAL 504.A O no hydrogen 3.179 N/A CYS 508.A N LEU 505.A O no hydrogen 3.168 N/A CYS 508.A SG SER 311.A O no hydrogen 3.662 N/A CYS 508.A SG VAL 504.A O no hydrogen 3.223 N/A TYR 509.A N LEU 505.A O no hydrogen 3.258 N/A TYR 509.A OH SER 524.A OG no hydrogen 2.555 N/A ASP 510.A N CYS 506.A O no hydrogen 2.963 N/A ALA 511.A N GLU 507.A O no hydrogen 2.817 N/A GLY 512.A N CYS 508.A O no hydrogen 2.764 N/A CYS 513.A N TYR 509.A O no hydrogen 2.977 N/A CYS 513.A SG TYR 509.A O no hydrogen 3.263 N/A ALA 514.A N ASP 510.A O no hydrogen 2.723 N/A TRP 515.A N ALA 511.A O no hydrogen 2.813 N/A TYR 516.A N GLY 512.A O no hydrogen 3.345 N/A TYR 516.A OH THR 312.A OG1 no hydrogen 3.153 N/A LEU 518.A N GLY 512.A O no hydrogen 3.002 N/A THR 519.A N GLU 522.A OE1 no hydrogen 3.129 N/A GLU 522.A N THR 519.A OG1 no hydrogen 3.323 N/A THR 523.A N THR 519.A O no hydrogen 3.141 N/A THR 523.A OG1 THR 519.A O no hydrogen 3.451 N/A SER 524.A N PRO 520.A O no hydrogen 2.926 N/A SER 524.A OG TYR 509.A OH no hydrogen 2.555 N/A SER 524.A OG PRO 520.A O no hydrogen 3.497 N/A SER 524.A OG GLU 547.A OE1 no hydrogen 2.714 N/A VAL 525.A N ALA 521.A O no hydrogen 3.280 N/A ARG 526.A N GLU 522.A O no hydrogen 3.346 N/A LEU 527.A N THR 523.A O no hydrogen 2.971 N/A ARG 528.A N SER 524.A O no hydrogen 2.770 N/A ALA 529.A N VAL 525.A O no hydrogen 3.147 N/A TYR 530.A N ARG 526.A O no hydrogen 3.265 N/A LEU 531.A N LEU 527.A O no hydrogen 2.814 N/A ASN 532.A N ARG 528.A O no hydrogen 2.878 N/A THR 533.A N ALA 529.A O no hydrogen 3.048 N/A THR 533.A OG1 ALA 529.A O no hydrogen 2.956 N/A GLY 535.A N ASP 93.A OD2 no hydrogen 2.788 N/A VAL 538.A N GLY 498.A O no hydrogen 2.782 N/A CYS 539.A SG PHE 500.A O no hydrogen 3.500 N/A CYS 539.A SG GLN 540.A O no hydrogen 3.455 N/A GLN 540.A NE2 GLU 642.A O no hydrogen 2.891 N/A GLN 540.A NE2 GLU 642.A OE1 no hydrogen 2.842 N/A HIS 542.A ND1 SER 502.A OG no hydrogen 2.761 N/A HIS 542.A NE2 GLU 642.A O no hydrogen 2.783 N/A LEU 543.A N ASP 541.A OD1 no hydrogen 3.360 N/A TRP 546.A N HIS 542.A O no hydrogen 3.056 N/A TRP 546.A NE1 SER 502.A OG no hydrogen 2.862 N/A GLU 547.A N LEU 543.A O no hydrogen 2.949 N/A SER 548.A N GLU 544.A O no hydrogen 3.133 N/A SER 548.A OG PHE 545.A O no hydrogen 2.606 N/A VAL 549.A N PHE 545.A O no hydrogen 3.110 N/A PHE 550.A N TRP 546.A O no hydrogen 3.221 N/A THR 551.A N GLU 547.A O no hydrogen 2.909 N/A THR 551.A OG1 GLU 547.A O no hydrogen 2.561 N/A GLY 552.A N VAL 549.A O no hydrogen 3.248 N/A LEU 553.A N PHE 550.A O no hydrogen 3.210 N/A ASP 557.A N THR 580.A OG1 no hydrogen 3.056 N/A PHE 560.A N ASP 557.A OD2 no hydrogen 3.001 N/A LEU 561.A N ASP 557.A O no hydrogen 3.187 N/A SER 562.A N ALA 558.A O no hydrogen 2.952 N/A SER 562.A OG HIS 559.A O no hydrogen 2.723 N/A GLN 563.A N HIS 559.A O no hydrogen 3.091 N/A THR 564.A N PHE 560.A O no hydrogen 2.875 N/A THR 564.A OG1 PHE 560.A O no hydrogen 3.442 N/A THR 564.A OG1 LEU 561.A O no hydrogen 3.070 N/A THR 564.A OG1 PRO 572.A O no hydrogen 2.714 N/A LYS 565.A N LEU 561.A O no hydrogen 3.072 N/A LYS 565.A NZ ALA 514.A O no hydrogen 3.286 N/A GLN 566.A N SER 562.A O no hydrogen 3.050 N/A ALA 567.A N GLN 563.A O no hydrogen 3.051 N/A GLY 568.A N LYS 565.A O no hydrogen 3.092 N/A TYR 573.A N ASP 510.A OD1 no hydrogen 2.844 N/A TYR 573.A OH LEU 553.A O no hydrogen 2.726 N/A LEU 574.A N ASP 510.A OD2 no hydrogen 2.860 N/A VAL 575.A N PHE 571.A O no hydrogen 2.886 N/A ALA 576.A N PRO 572.A O no hydrogen 3.050 N/A TYR 577.A N TYR 573.A O no hydrogen 2.786 N/A TYR 577.A OH THR 554.A O no hydrogen 2.711 N/A GLN 578.A N LEU 574.A O no hydrogen 3.023 N/A GLN 578.A NE2 GLN 578.A O no hydrogen 3.005 N/A GLN 578.A NE2 PRO 611.A O no hydrogen 2.953 N/A ALA 579.A N VAL 575.A O no hydrogen 3.064 N/A THR 580.A N ALA 576.A O no hydrogen 3.076 N/A THR 580.A OG1 ALA 576.A O no hydrogen 2.683 N/A VAL 581.A N TYR 577.A O no hydrogen 3.179 N/A CYS 582.A N GLN 578.A O no hydrogen 3.044 N/A CYS 582.A SG GLN 578.A O no hydrogen 3.219 N/A CYS 582.A SG PRO 588.A O no hydrogen 3.528 N/A ALA 583.A N ALA 579.A O no hydrogen 2.830 N/A ARG 584.A N THR 580.A O no hydrogen 3.035 N/A ARG 584.A NH1 HIS 555.A O no hydrogen 2.721 N/A ARG 584.A NH2 HIS 555.A O no hydrogen 2.806 N/A ALA 585.A N VAL 581.A O no hydrogen 3.136 N/A ALA 585.A N CYS 582.A O no hydrogen 3.090 N/A GLN 586.A N ALA 583.A O no hydrogen 2.813 N/A ALA 587.A N CYS 582.A O no hydrogen 2.861 N/A ASP 593.A N SER 591.A OG no hydrogen 3.164 N/A TRP 596.A N ASP 593.A O no hydrogen 2.970 N/A LYS 597.A N GLN 594.A O no hydrogen 3.307 N/A LEU 599.A N TRP 596.A O no hydrogen 3.065 N/A ILE 600.A N LYS 597.A O no hydrogen 3.190 N/A LEU 602.A N LEU 599.A O no hydrogen 2.812 N/A LYS 603.A N LEU 599.A O no hydrogen 3.130 N/A LYS 603.A N ILE 600.A O no hydrogen 3.050 N/A THR 605.A N LEU 602.A O no hydrogen 2.795 N/A THR 605.A OG1 LEU 602.A O no hydrogen 2.820 N/A LEU 606.A N LYS 603.A O no hydrogen 3.361 N/A HIS 607.A N GLN 586.A O no hydrogen 3.002 N/A THR 610.A N GLU 622.A O no hydrogen 2.821 N/A LEU 612.A N THR 624.A O no hydrogen 3.282 N/A LEU 613.A N GLN 578.A OE1 no hydrogen 3.077 N/A TYR 614.A OH LEU 574.A O no hydrogen 2.729 N/A ARG 615.A N PHE 458.A O no hydrogen 2.933 N/A ARG 615.A NE ASP 455.A O no hydrogen 2.721 N/A ARG 615.A NH2 ASP 455.A O no hydrogen 2.942 N/A GLN 620.A N PRO 590.A O no hydrogen 2.941 N/A ASN 621.A N PRO 590.A O no hydrogen 3.154 N/A ASN 621.A ND2 GLY 608.A O no hydrogen 2.944 N/A THR 624.A N THR 610.A O no hydrogen 2.891 N/A THR 624.A OG1 THR 626.A OG1 no hydrogen 3.355 N/A THR 626.A OG1 THR 624.A OG1 no hydrogen 3.355 N/A ILE 629.A N HIS 627.A ND1 no hydrogen 2.899 N/A THR 630.A OG1 LEU 612.A O no hydrogen 2.648 N/A LYS 631.A N HIS 627.A O no hydrogen 3.048 N/A TYR 632.A N PRO 628.A O no hydrogen 3.039 N/A TYR 632.A OH SER 548.A O no hydrogen 2.558 N/A ILE 633.A N ILE 629.A O no hydrogen 3.030 N/A MET 634.A N THR 630.A O no hydrogen 2.784 N/A ALA 635.A N LYS 631.A O no hydrogen 2.897 N/A CYS 636.A N TYR 632.A O no hydrogen 3.120 N/A CYS 636.A SG SER 548.A OG no hydrogen 3.270 N/A CYS 636.A SG TYR 632.A O no hydrogen 3.416 N/A MET 637.A N ILE 633.A O no hydrogen 3.266 N/A MET 637.A N MET 634.A O no hydrogen 3.093 N/A SER 638.A N ALA 635.A O no hydrogen 3.412 N/A SER 638.A OG ALA 635.A O no hydrogen 3.304 N/A ALA 639.A N CYS 636.A O no hydrogen 3.142 N/A LEU 641.A N CYS 173.A O no hydrogen 2.736 N/A VAL 643.A N ALA 171.A O no hydrogen 2.877 N/A THR 645.A OG1 SER 153.A OG no hydrogen 2.789 N/A