Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 93.A O no hydrogen 2.942 N/A ALA 5.A N GLY 28.A O no hydrogen 2.906 N/A LEU 6.A N VAL 96.A O no hydrogen 2.778 N/A LEU 7.A N ILE 30.A O no hydrogen 2.908 N/A SER 8.A OG LEU 7.A O no hydrogen 2.790 N/A GLU 11.A N ASN 100.A OD1 no hydrogen 2.940 N/A LYS 12.A NZ VAL 9.A O no hydrogen 3.422 N/A LEU 15.A N LYS 12.A O no hydrogen 2.826 N/A PHE 18.A N LEU 15.A O no hydrogen 2.510 N/A ARG 20.A N VAL 16.A O no hydrogen 2.974 N/A SER 21.A N GLU 17.A O no hydrogen 2.738 N/A SER 21.A OG PHE 18.A O no hydrogen 3.151 N/A LEU 22.A N PHE 18.A O no hydrogen 2.633 N/A ASN 23.A N ALA 19.A O no hydrogen 2.956 N/A ASN 23.A ND2 LEU 27.A O no hydrogen 3.335 N/A LEU 25.A N LEU 22.A O no hydrogen 2.440 N/A GLY 26.A N ASN 23.A O no hydrogen 2.526 N/A GLY 28.A N GLN 3.A O no hydrogen 2.696 N/A ILE 30.A N ALA 5.A O no hydrogen 3.098 N/A ALA 31.A N ARG 47.A O no hydrogen 2.716 N/A ALA 36.A N GLY 33.A O no hydrogen 2.472 N/A THR 37.A N GLY 33.A O no hydrogen 2.993 N/A ALA 38.A N GLY 34.A O no hydrogen 2.621 N/A LEU 39.A N ALA 36.A O no hydrogen 2.682 N/A LEU 39.A N THR 37.A O no hydrogen 2.592 N/A ARG 40.A N ALA 36.A O no hydrogen 3.315 N/A ARG 40.A NH1 ASP 41.A OD1 no hydrogen 3.448 N/A ALA 42.A N LEU 39.A O no hydrogen 3.020 N/A GLY 43.A N ARG 40.A O no hydrogen 3.094 N/A LEU 44.A N LEU 39.A O no hydrogen 2.960 N/A ARG 47.A N LEU 29.A O no hydrogen 2.729 N/A ARG 47.A NH1 ASP 51.A OD1 no hydrogen 3.121 N/A VAL 49.A N ALA 31.A O no hydrogen 3.005 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.957 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.907 N/A SER 50.A OG GLU 57.A OE1 no hydrogen 3.068 N/A LEU 52.A N VAL 49.A O no hydrogen 2.854 N/A THR 53.A N VAL 49.A O no hydrogen 3.128 N/A GLY 54.A N SER 50.A O no hydrogen 2.279 N/A ARG 62.A NE GLU 120.A OE2 no hydrogen 3.482 N/A HIS 67.A N THR 65.A O no hydrogen 2.593 N/A VAL 70.A N HIS 67.A O no hydrogen 2.707 N/A ALA 72.A N PRO 68.A O no hydrogen 2.462 N/A ILE 74.A N VAL 70.A O no hydrogen 3.198 N/A LEU 75.A N HIS 71.A O no hydrogen 2.494 N/A ARG 77.A N ASP 82.A OD2 no hydrogen 2.745 N/A ARG 77.A NE ASP 82.A OD2 no hydrogen 2.793 N/A ARG 77.A NH2 ASP 82.A OD1 no hydrogen 2.745 N/A ARG 77.A NH2 ASP 82.A OD2 no hydrogen 3.110 N/A ASN 78.A ND2 ASN 83.A OD1 no hydrogen 2.889 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.384 N/A ASN 83.A N ILE 79.A O no hydrogen 2.873 N/A ALA 84.A N PRO 80.A O no hydrogen 2.638 N/A ASP 85.A N GLU 81.A O no hydrogen 2.558 N/A MET 86.A N ASP 82.A O no hydrogen 2.908 N/A ASN 87.A N ASN 83.A O no hydrogen 3.076 N/A LYS 88.A N ALA 84.A O no hydrogen 2.972 N/A GLN 89.A N ASP 85.A O no hydrogen 3.099 N/A PHE 91.A N MET 86.A O no hydrogen 2.838 N/A ARG 95.A N LEU 4.A O no hydrogen 3.197 N/A ARG 95.A NE GLN 3.A OE1 no hydrogen 2.888 N/A ARG 95.A NH1 ASP 163.A OD2 no hydrogen 2.907 N/A ARG 95.A NH2 GLN 3.A OE1 no hydrogen 2.567 N/A VAL 97.A N THR 141.A O no hydrogen 3.181 N/A VAL 98.A N LEU 6.A O no hydrogen 2.849 N/A CYS 99.A N VAL 143.A O no hydrogen 2.884 N/A CYS 99.A SG SER 8.A O no hydrogen 3.416 N/A CYS 99.A SG ASN 100.A O no hydrogen 3.732 N/A TYR 102.A OH.A LYS 121.A O no hydrogen 3.325 N/A TYR 102.A OH.B LYS 106.A O no hydrogen 3.192 N/A THR 107.A N PHE 104.A O no hydrogen 2.800 N/A THR 107.A OG1 PRO 103.A O no hydrogen 3.249 N/A VAL 108.A N PHE 104.A O no hydrogen 2.800 N/A SER 109.A N VAL 105.A O no hydrogen 2.876 N/A SER 109.A OG VAL 105.A O no hydrogen 2.778 N/A THR 114.A N GLU 117.A OE1 no hydrogen 2.832 N/A ALA 118.A N THR 114.A O no hydrogen 2.983 N/A VAL 119.A N VAL 115.A O no hydrogen 2.688 N/A GLU 120.A N PRO 116.A O no hydrogen 3.276 N/A LYS 121.A NZ THR 107.A OG1 no hydrogen 3.195 N/A ILE 122.A N VAL 119.A O no hydrogen 2.958 N/A ASP 123.A N TYR 183.A OH no hydrogen 3.044 N/A VAL 127.A N ASP 123.A OD1 no hydrogen 3.127 N/A ALA 128.A N ILE 124.A O no hydrogen 3.435 N/A LEU 129.A N GLY 125.A O no hydrogen 3.187 N/A LEU 129.A N GLY 126.A O no hydrogen 2.853 N/A LEU 130.A N GLY 126.A O no hydrogen 3.044 N/A ARG 131.A N VAL 127.A O no hydrogen 2.854 N/A ALA 132.A N ALA 128.A O no hydrogen 3.032 N/A ALA 133.A N LEU 129.A O no hydrogen 2.581 N/A ALA 134.A N LEU 130.A O no hydrogen 2.637 N/A LYS 135.A N ARG 131.A O no hydrogen 3.118 N/A ASN 136.A N ALA 132.A O no hydrogen 3.192 N/A ASN 136.A ND2 ILE 74.A O no hydrogen 2.981 N/A ASN 136.A ND2 ALA 76.A O no hydrogen 2.911 N/A HIS 137.A N ALA 134.A O no hydrogen 3.082 N/A HIS 137.A ND1 LYS 135.A O no hydrogen 2.933 N/A ARG 139.A N ASN 136.A O no hydrogen 2.715 N/A ARG 139.A NE ALA 76.A O no hydrogen 3.105 N/A ARG 139.A NH1 VAL 94.A O no hydrogen 2.648 N/A ARG 139.A NH2 GLY 73.A O no hydrogen 2.271 N/A ARG 139.A NH2 ALA 76.A O no hydrogen 2.720 N/A VAL 140.A N ASN 136.A O no hydrogen 2.737 N/A THR 141.A N ARG 95.A O no hydrogen 2.931 N/A THR 141.A OG1 ARG 95.A O no hydrogen 3.510 N/A THR 141.A OG1 THR 164.A OG1 no hydrogen 3.013 N/A VAL 143.A N VAL 97.A O no hydrogen 3.019 N/A ASP 148.A N ASP 145.A O no hydrogen 2.543 N/A SER 151.A OG ASP 148.A O no hydrogen 2.819 N/A VAL 152.A N ASP 148.A O no hydrogen 3.265 N/A ALA 153.A N TYR 149.A O no hydrogen 2.824 N/A LYS 154.A N SER 150.A O no hydrogen 2.803 N/A GLU 155.A N SER 151.A O no hydrogen 3.064 N/A MET 156.A N VAL 152.A O no hydrogen 2.644 N/A ALA 157.A N ALA 153.A O no hydrogen 2.793 N/A ALA 157.A N LYS 154.A O no hydrogen 2.803 N/A SER 159.A N GLU 155.A O no hydrogen 3.034 N/A SER 159.A OG GLU 155.A O no hydrogen 3.095 N/A SER 159.A OG MET 156.A O no hydrogen 2.711 N/A SER 159.A OG SER 159.A O no hydrogen 2.594 N/A LYS 160.A NZ ASP 161.A OD1 no hydrogen 2.831 N/A LYS 162.A N SER 159.A O no hydrogen 2.506 N/A THR 164.A OG1 THR 141.A OG1 no hydrogen 3.013 N/A THR 164.A OG1 ASP 163.A OD1 no hydrogen 2.953 N/A SER 165.A N GLU 155.A OE2 no hydrogen 2.693 N/A SER 165.A OG GLU 155.A OE1 no hydrogen 3.497 N/A SER 165.A OG GLU 155.A OE2 no hydrogen 3.407 N/A SER 165.A OG THR 168.A OG1 no hydrogen 2.103 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.535 N/A THR 168.A N SER 165.A OG no hydrogen 2.795 N/A THR 168.A OG1 GLU 155.A OE1 no hydrogen 3.016 N/A THR 168.A OG1 GLU 155.A OE2 no hydrogen 3.045 N/A THR 168.A OG1 SER 165.A OG no hydrogen 2.103 N/A ARG 169.A N SER 165.A O no hydrogen 3.017 N/A ARG 169.A NE HIS 137.A O no hydrogen 3.016 N/A ARG 169.A NE ALA 138.A O no hydrogen 3.182 N/A ARG 169.A NH1 THR 164.A OG1 no hydrogen 3.036 N/A ARG 169.A NH2 ALA 138.A O no hydrogen 2.679 N/A ARG 170.A N VAL 166.A O no hydrogen 3.052 N/A ARG 170.A N GLU 167.A O no hydrogen 3.004 N/A HIS 171.A N GLU 167.A O no hydrogen 3.008 N/A LEU 172.A N THR 168.A O no hydrogen 2.980 N/A ALA 173.A N ARG 169.A O no hydrogen 3.091 N/A LEU 174.A N ARG 170.A O no hydrogen 2.966 N/A LYS 175.A N HIS 171.A O no hydrogen 3.284 N/A ALA 176.A N LEU 172.A O no hydrogen 2.888 N/A PHE 177.A N ALA 173.A O no hydrogen 3.079 N/A THR 178.A N LEU 174.A O no hydrogen 2.836 N/A THR 178.A OG1 LEU 174.A O no hydrogen 2.988 N/A HIS 179.A N LYS 175.A O no hydrogen 2.851 N/A THR 180.A N ALA 176.A O no hydrogen 3.062 N/A THR 180.A N PHE 177.A O no hydrogen 3.077 N/A THR 180.A OG1 ALA 176.A O no hydrogen 3.440 N/A THR 180.A OG1 PHE 177.A O no hydrogen 2.481 N/A ALA 181.A N PHE 177.A O no hydrogen 2.796 N/A GLN 182.A N THR 178.A O no hydrogen 2.948 N/A TYR 183.A N HIS 179.A O no hydrogen 3.354 N/A ASP 184.A N THR 180.A O no hydrogen 2.846 N/A ALA 185.A N ALA 181.A O no hydrogen 3.103 N/A ALA 186.A N GLN 182.A O no hydrogen 2.883 N/A ILE 187.A N TYR 183.A O no hydrogen 3.098 N/A SER 188.A N ASP 184.A O no hydrogen 2.941 N/A SER 188.A OG ASP 184.A O no hydrogen 3.240 N/A SER 188.A OG ALA 185.A O no hydrogen 2.957 N/A ASP 189.A N ALA 185.A O no hydrogen 2.853 N/A TYR 190.A N ALA 186.A O no hydrogen 3.217 N/A PHE 191.A N ILE 187.A O no hydrogen 2.809 N/A ARG 192.A N SER 188.A O no hydrogen 2.729 N/A ARG 192.A NH2 ASP 189.A OD1 no hydrogen 3.256 N/A LYS 193.A N ASP 189.A O no hydrogen 3.174 N/A LYS 193.A NZ ASP 189.A OD2 no hydrogen 3.276 N/A GLU 194.A N TYR 190.A O no hydrogen 2.984 N/A TYR 195.A N PHE 191.A O no hydrogen 2.865 N/A SER 196.A N PHE 191.A O no hydrogen 3.389 N/A SER 196.A N ARG 192.A O no hydrogen 2.733 N/A SER 196.A OG SER 200.A OG no hydrogen 2.485 N/A GLY 198.A N GLN 201.A O no hydrogen 2.996 N/A VAL 199.A N SER 196.A O no hydrogen 3.010 N/A SER 200.A N SER 196.A O no hydrogen 2.890 N/A SER 200.A N SER 196.A OG no hydrogen 2.996 N/A SER 200.A OG SER 196.A OG no hydrogen 2.485 N/A GLN 201.A N SER 196.A O no hydrogen 3.100 N/A GLN 201.A NE2 GLN 216.A OE1 no hydrogen 2.832 N/A LEU 202.A N LEU 217.A O no hydrogen 2.538 N/A LEU 204.A N ALA 215.A O no hydrogen 2.989 N/A GLY 207.A N GLN 212.A O no hydrogen 2.615 N/A ASN 209.A ND2 GLN 212.A OE1 no hydrogen 2.580 N/A GLN 212.A N ASN 209.A O no hydrogen 3.048 N/A SER 213.A OG ARG 205.A O no hydrogen 3.183 N/A GLN 216.A NE2 ASP 189.A OD1 no hydrogen 3.520 N/A LEU 217.A N LEU 202.A O no hydrogen 2.774 N/A THR 219.A N SER 200.A O no hydrogen 3.081 N/A ARG 221.A N THR 219.A OG1 no hydrogen 3.210 N/A ARG 221.A NH1 GLU 370.A O no hydrogen 3.460 N/A ARG 221.A NH2 GLU 370.A O no hydrogen 2.662 N/A ARG 221.A NH2 ASP 372.A OD1 no hydrogen 3.443 N/A LYS 223.A NZ LEU 224.A O no hydrogen 2.689 N/A LEU 224.A N VAL 199.A O no hydrogen 2.824 N/A THR 227.A N GLN 364.A O no hydrogen 2.901 N/A VAL 229.A N VAL 362.A O no hydrogen 2.792 N/A ASN 230.A N VAL 362.A O no hydrogen 3.109 N/A ASN 230.A ND2 GLY 358.A O no hydrogen 3.165 N/A ASN 230.A ND2 TYR 360.A O no hydrogen 2.745 N/A GLY 234.A N ASN 237.A OD1 no hydrogen 2.966 N/A LEU 238.A N PHE 235.A O no hydrogen 2.878 N/A CYS 239.A N PHE 235.A O no hydrogen 3.320 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.741 N/A ASP 240.A N ILE 236.A O no hydrogen 2.800 N/A ALA 241.A N ASN 237.A O no hydrogen 2.551 N/A LEU 242.A N LEU 238.A O no hydrogen 2.992 N/A ASN 243.A N CYS 239.A O no hydrogen 3.103 N/A ASN 243.A ND2 HIS 589.A NE2 no hydrogen 2.623 N/A ALA 244.A N ASP 240.A O no hydrogen 2.825 N/A TRP 245.A N ALA 241.A O no hydrogen 2.595 N/A GLN 246.A N LEU 242.A O no hydrogen 3.151 N/A GLN 246.A NE2 LEU 242.A O no hydrogen 3.243 N/A LEU 247.A N ASN 243.A O no hydrogen 3.156 N/A VAL 248.A N ALA 244.A O no hydrogen 3.237 N/A LYS 249.A N TRP 245.A O no hydrogen 3.092 N/A LYS 249.A NZ PRO 367.A O no hydrogen 3.359 N/A LYS 249.A NZ GLU 370.A OE2 no hydrogen 2.730 N/A GLU 250.A N GLN 246.A O no hydrogen 3.175 N/A LEU 251.A N LEU 247.A O no hydrogen 3.229 N/A LEU 251.A N VAL 248.A O no hydrogen 3.096 N/A LYS 252.A N VAL 248.A O no hydrogen 2.919 N/A GLN 253.A N LYS 249.A O no hydrogen 2.874 N/A ALA 254.A N GLU 250.A O no hydrogen 2.936 N/A LEU 255.A N LEU 251.A O no hydrogen 2.803 N/A LEU 255.A N LYS 252.A O no hydrogen 3.381 N/A GLY 256.A N LYS 252.A O no hydrogen 2.601 N/A ALA 259.A N SER 320.A OG no hydrogen 2.529 N/A ALA 260.A N ALA 272.A O no hydrogen 2.997 N/A ALA 261.A N ALA 318.A O no hydrogen 2.986 N/A SER 262.A N GLY 270.A O no hydrogen 2.910 N/A SER 262.A OG SER 312.A OG no hydrogen 3.089 N/A SER 262.A OG ASP 315.A OD2 no hydrogen 2.607 N/A PHE 263.A N PHE 316.A O no hydrogen 2.937 N/A LYS 264.A N SER 267.A O no hydrogen 3.170 N/A LYS 264.A NZ SER 311.A O no hydrogen 2.905 N/A LYS 264.A NZ PHE 313.A O no hydrogen 3.191 N/A VAL 266.A N ASP 240.A OD1 no hydrogen 2.490 N/A SER 267.A N LYS 264.A O no hydrogen 3.425 N/A ALA 269.A N SER 262.A O no hydrogen 2.760 N/A GLY 270.A N SER 262.A O no hydrogen 3.467 N/A ALA 272.A N ALA 260.A O no hydrogen 3.000 N/A VAL 273.A N GLY 437.A O no hydrogen 3.078 N/A GLY 274.A N PRO 258.A O no hydrogen 2.842 N/A ILE 275.A N VAL 273.A O no hydrogen 2.662 N/A GLU 281.A N SER 278.A OG no hydrogen 2.845 N/A ALA 282.A N SER 278.A O no hydrogen 2.798 N/A GLN 283.A N GLU 279.A O no hydrogen 3.121 N/A GLN 283.A N GLU 280.A O no hydrogen 3.061 N/A GLN 283.A NE2 LEU 472.A O no hydrogen 3.512 N/A VAL 284.A N GLU 280.A O no hydrogen 3.206 N/A CYS 285.A SG GLU 281.A O no hydrogen 3.837 N/A CYS 285.A SG ALA 302.A O no hydrogen 3.820 N/A MET 286.A N GLN 283.A O no hydrogen 2.570 N/A VAL 287.A N ALA 282.A O no hydrogen 2.883 N/A LEU 290.A N VAL 287.A O no hydrogen 2.685 N/A HIS 291.A N HIS 288.A O no hydrogen 3.485 N/A HIS 291.A NE2 LEU 277.A O no hydrogen 2.917 N/A THR 293.A N LEU 290.A O no hydrogen 2.866 N/A THR 293.A OG1 LEU 290.A O no hydrogen 2.581 N/A LEU 294.A N HIS 291.A O no hydrogen 3.444 N/A THR 295.A OG1 ASP 324.A OD2 no hydrogen 2.236 N/A ALA 298.A N THR 295.A OG1 no hydrogen 3.256 N/A SER 299.A N THR 295.A O no hydrogen 2.764 N/A SER 299.A OG THR 295.A O no hydrogen 3.054 N/A ALA 300.A N PRO 296.A O no hydrogen 2.960 N/A TYR 301.A N LEU 297.A O no hydrogen 2.954 N/A TYR 301.A OH ASP 315.A OD2 no hydrogen 3.349 N/A ALA 302.A N ALA 298.A O no hydrogen 2.864 N/A ARG 303.A N SER 299.A O no hydrogen 3.313 N/A ARG 303.A NE ILE 275.A O no hydrogen 3.056 N/A ARG 303.A NH1 GLN 438.A OE1 no hydrogen 2.866 N/A ARG 303.A NH2 ILE 275.A O no hydrogen 2.975 N/A ARG 303.A NH2 PRO 276.A O no hydrogen 3.337 N/A SER 304.A N ALA 300.A O no hydrogen 3.177 N/A ARG 305.A N ALA 302.A O no hydrogen 3.213 N/A ARG 305.A NH1 TYR 301.A OH no hydrogen 3.290 N/A ARG 305.A NH1 ASP 315.A OD1 no hydrogen 3.124 N/A ARG 305.A NH1 VAL 335.A O no hydrogen 3.300 N/A ARG 305.A NH2 VAL 335.A O no hydrogen 2.727 N/A GLY 306.A N ALA 302.A O no hydrogen 3.219 N/A GLY 306.A N ARG 303.A O no hydrogen 3.148 N/A ARG 309.A NE SER 486.A OG no hydrogen 3.294 N/A SER 311.A N ASP 308.A OD2 no hydrogen 2.965 N/A SER 311.A OG ASP 308.A OD2 no hydrogen 2.359 N/A SER 312.A N ASP 308.A O no hydrogen 3.268 N/A SER 312.A OG SER 262.A OG no hydrogen 3.089 N/A PHE 313.A N MET 310.A O no hydrogen 3.339 N/A GLY 314.A N VAL 335.A O no hydrogen 3.099 N/A ASP 315.A N SER 312.A O no hydrogen 2.978 N/A PHE 316.A N PHE 263.A O no hydrogen 2.747 N/A ILE 317.A N GLY 338.A O no hydrogen 2.717 N/A ALA 318.A N ALA 261.A O no hydrogen 3.132 N/A LEU 319.A N VAL 340.A O no hydrogen 3.050 N/A SER 320.A N ALA 259.A O no hydrogen 3.041 N/A SER 320.A OG ALA 259.A O no hydrogen 2.975 N/A SER 320.A OG ASP 321.A OD1 no hydrogen 3.278 N/A CYS 323.A N GLY 343.A O no hydrogen 2.815 N/A CYS 323.A SG ASP 324.A O no hydrogen 3.478 N/A THR 327.A N ASP 324.A OD1 no hydrogen 2.795 N/A THR 327.A OG1 ASP 324.A OD1 no hydrogen 2.931 N/A ALA 328.A N ASP 324.A O no hydrogen 3.434 N/A LYS 329.A N VAL 325.A O no hydrogen 2.676 N/A ILE 330.A N PRO 326.A O no hydrogen 2.783 N/A ILE 331.A N THR 327.A O no hydrogen 2.753 N/A SER 332.A N ALA 328.A O no hydrogen 2.756 N/A SER 332.A OG ALA 328.A O no hydrogen 3.531 N/A SER 332.A OG LYS 329.A O no hydrogen 2.792 N/A ARG 333.A N LYS 329.A O no hydrogen 3.420 N/A ARG 333.A NH1 ASP 289.A OD2 no hydrogen 2.886 N/A ARG 333.A NH2 MET 286.A O no hydrogen 2.567 N/A GLU 334.A N ILE 331.A O no hydrogen 2.734 N/A SER 336.A OG TYR 360.A OH no hydrogen 2.604 N/A ASP 337.A N ASP 315.A O no hydrogen 2.941 N/A VAL 339.A N CYS 361.A O no hydrogen 3.164 N/A VAL 340.A N ILE 317.A O no hydrogen 2.818 N/A ALA 341.A N LEU 363.A O no hydrogen 3.155 N/A TYR 344.A OH LEU 363.A O no hydrogen 2.354 N/A GLU 345.A N CYS 323.A O no hydrogen 3.056 N/A LEU 349.A N GLU 345.A O no hydrogen 2.838 N/A LYS 350.A N GLU 346.A O no hydrogen 2.866 N/A ILE 351.A N GLU 347.A O no hydrogen 3.019 N/A LEU 352.A N ALA 348.A O no hydrogen 3.222 N/A SER 353.A N LEU 349.A O no hydrogen 2.865 N/A SER 353.A N LYS 350.A O no hydrogen 3.038 N/A SER 353.A OG LEU 349.A O no hydrogen 2.887 N/A LYS 354.A N LYS 350.A O no hydrogen 3.164 N/A LYS 355.A N LEU 352.A O no hydrogen 3.288 N/A LYS 355.A NZ SER 332.A O no hydrogen 2.810 N/A LYS 355.A NZ GLU 334.A O no hydrogen 2.746 N/A GLY 359.A N LYS 356.A O no hydrogen 2.956 N/A TYR 360.A N LYS 355.A O no hydrogen 3.359 N/A TYR 360.A OH SER 336.A OG no hydrogen 2.604 N/A VAL 362.A N ASN 230.A O no hydrogen 2.869 N/A LEU 363.A N VAL 339.A O no hydrogen 2.845 N/A GLN 364.A N THR 227.A O no hydrogen 2.942 N/A MET 365.A N ALA 341.A O no hydrogen 2.911 N/A ASP 366.A N PRO 225.A O no hydrogen 2.977 N/A ASN 368.A N ASP 366.A OD1 no hydrogen 3.088 N/A TYR 369.A N ASP 366.A O no hydrogen 3.378 N/A GLU 375.A N GLN 386.A O no hydrogen 2.716 N/A ARG 377.A N LEU 384.A O no hydrogen 3.068 N/A ARG 377.A NH2 HIS 590.A O no hydrogen 2.613 N/A LEU 379.A N LEU 382.A O no hydrogen 2.874 N/A LEU 384.A N ARG 377.A O no hydrogen 3.026 N/A GLN 386.A N GLU 375.A O no hydrogen 2.896 N/A LYS 387.A NZ ASP 373.A OD1 no hydrogen 3.054 N/A ARG 388.A N ASP 373.A O no hydrogen 3.016 N/A ARG 388.A NE GLU 375.A OE1 no hydrogen 2.880 N/A ARG 395.A NH2 GLU 410.A OE2 no hydrogen 2.683 N/A SER 396.A OG ASP 394.A OD1 no hydrogen 3.049 N/A SER 396.A OG ASP 394.A OD2 no hydrogen 3.050 N/A LEU 397.A N ASP 394.A O no hydrogen 2.673 N/A PHE 398.A N ARG 395.A O no hydrogen 2.654 N/A LYS 399.A N SER 396.A O no hydrogen 3.441 N/A ASN 400.A ND2 HIS 582.A O no hydrogen 3.592 N/A VAL 402.A N LEU 580.A O no hydrogen 3.120 N/A THR 403.A OG1 ASN 405.A O no hydrogen 3.361 N/A THR 403.A OG1 LEU 580.A O no hydrogen 3.472 N/A LYS 404.A N ASN 574.A OD1 no hydrogen 2.927 N/A LYS 404.A NZ GLU 571.A OE1 no hydrogen 3.070 N/A LYS 404.A NZ GLU 571.A OE2 no hydrogen 3.175 N/A LYS 406.A NZ THR 403.A O no hydrogen 2.670 N/A THR 407.A OG1 ASN 405.A OD1 no hydrogen 2.505 N/A VAL 413.A N PRO 409.A O no hydrogen 3.074 N/A ARG 414.A N GLU 410.A O no hydrogen 3.447 N/A ARG 414.A NE ASP 415.A OD1 no hydrogen 3.234 N/A ARG 414.A NH2 ASP 415.A OD1 no hydrogen 3.489 N/A ASP 415.A N SER 411.A O no hydrogen 3.002 N/A LEU 416.A N ALA 412.A O no hydrogen 2.748 N/A ILE 417.A N VAL 413.A O no hydrogen 2.846 N/A ILE 417.A N ARG 414.A O no hydrogen 2.994 N/A VAL 418.A N ARG 414.A O no hydrogen 3.131 N/A ALA 419.A N ASP 415.A O no hydrogen 2.933 N/A SER 420.A N LEU 416.A O no hydrogen 3.153 N/A SER 420.A OG LEU 416.A O no hydrogen 2.419 N/A SER 420.A OG SER 535.A OG no hydrogen 3.271 N/A ILE 421.A N ILE 417.A O no hydrogen 2.994 N/A ALA 422.A N VAL 418.A O no hydrogen 3.053 N/A VAL 423.A N ALA 419.A O no hydrogen 3.119 N/A LYS 424.A N SER 420.A O no hydrogen 2.894 N/A LYS 424.A NZ GLU 250.A OE1 no hydrogen 3.524 N/A LYS 424.A NZ GLU 250.A OE2 no hydrogen 3.549 N/A LYS 424.A NZ ASN 389.A O no hydrogen 3.063 N/A LYS 424.A NZ ALA 391.A O no hydrogen 2.962 N/A TYR 425.A N ALA 422.A O no hydrogen 3.033 N/A TYR 425.A OH GLN 246.A OE1 no hydrogen 2.989 N/A TYR 425.A OH GLU 250.A OE2 no hydrogen 2.279 N/A THR 426.A N VAL 423.A O no hydrogen 3.055 N/A THR 426.A OG1 ALA 422.A O no hydrogen 2.946 N/A GLN 427.A N SER 267.A OG no hydrogen 3.045 N/A GLN 427.A NE2 VAL 266.A O no hydrogen 2.779 N/A SER 428.A N HIS 589.A O no hydrogen 3.226 N/A SER 428.A OG HIS 589.A O no hydrogen 3.389 N/A ASN 429.A N GLN 446.A O no hydrogen 3.447 N/A SER 430.A N ASP 537.A OD1 no hydrogen 2.634 N/A SER 430.A OG GLN 427.A O no hydrogen 2.852 N/A CYS 432.A N SER 535.A O no hydrogen 2.924 N/A CYS 432.A SG TYR 433.A O no hydrogen 4.020 N/A CYS 432.A SG GLY 441.A O no hydrogen 3.682 N/A TYR 433.A N GLY 441.A O no hydrogen 2.744 N/A TYR 433.A OH THR 453.A O no hydrogen 3.258 N/A ALA 434.A N SER 533.A O no hydrogen 2.839 N/A LYS 435.A N GLN 438.A O no hydrogen 2.726 N/A LYS 435.A NZ THR 530.A O no hydrogen 2.995 N/A LYS 435.A NZ ALA 531.A O no hydrogen 3.457 N/A GLN 438.A N LYS 435.A O no hydrogen 3.116 N/A GLN 438.A NE2 VAL 439.A O no hydrogen 3.221 N/A VAL 439.A N ALA 271.A O no hydrogen 3.071 N/A ILE 440.A N TYR 433.A O no hydrogen 2.774 N/A GLY 441.A N TYR 433.A O no hydrogen 3.187 N/A GLY 443.A N VAL 431.A O no hydrogen 3.182 N/A GLY 445.A N GLN 427.A O no hydrogen 2.802 N/A GLN 446.A NE2 ALA 444.A O no hydrogen 2.455 N/A ARG 449.A NH1 ASP 537.A OD1 no hydrogen 3.282 N/A ARG 449.A NH2 ASP 537.A OD1 no hydrogen 3.399 N/A CYS 452.A N SER 448.A O no hydrogen 3.080 N/A CYS 452.A SG ASN 429.A O no hydrogen 4.005 N/A THR 453.A N ARG 449.A O no hydrogen 2.757 N/A THR 453.A OG1 ASN 545.A OD1 no hydrogen 3.488 N/A ARG 454.A N ILE 450.A O no hydrogen 2.777 N/A LEU 455.A N HIS 451.A O no hydrogen 3.008 N/A ALA 456.A N CYS 452.A O no hydrogen 2.845 N/A GLY 457.A N THR 453.A O no hydrogen 2.786 N/A ASP 458.A N ARG 454.A O no hydrogen 2.986 N/A LYS 459.A N LEU 455.A O no hydrogen 3.399 N/A LYS 459.A NZ ILE 442.A O no hydrogen 2.984 N/A ALA 460.A N ALA 456.A O no hydrogen 3.053 N/A ASN 461.A N GLY 457.A O no hydrogen 3.306 N/A SER 462.A N ASP 458.A O no hydrogen 3.160 N/A SER 462.A OG ASP 458.A O no hydrogen 2.726 N/A SER 462.A OG LYS 459.A O no hydrogen 3.436 N/A TRP 463.A N LYS 459.A O no hydrogen 3.254 N/A TRP 464.A N ALA 460.A O no hydrogen 2.913 N/A TRP 464.A NE1 TRP 525.A O no hydrogen 2.477 N/A LEU 465.A N ASN 461.A O no hydrogen 2.564 N/A ARG 466.A N SER 462.A O no hydrogen 3.087 N/A ARG 466.A N TRP 463.A O no hydrogen 2.779 N/A ARG 466.A NH1 GLY 306.A O no hydrogen 2.552 N/A ARG 466.A NH2 VAL 284.A O no hydrogen 3.050 N/A ARG 466.A NH2 GLY 306.A O no hydrogen 2.419 N/A HIS 467.A N TRP 464.A O no hydrogen 2.903 N/A HIS 467.A ND1 TRP 463.A O no hydrogen 2.901 N/A HIS 467.A NE2 GLU 281.A OE1 no hydrogen 3.293 N/A HIS 468.A N LEU 465.A O no hydrogen 3.050 N/A ARG 470.A N HIS 468.A ND1 no hydrogen 3.027 N/A ARG 470.A NH1 ALA 515.A O no hydrogen 2.709 N/A ARG 470.A NH1 GLU 521.A OE1 no hydrogen 3.526 N/A VAL 471.A N HIS 468.A O no hydrogen 2.704 N/A LEU 472.A N HIS 468.A O no hydrogen 3.293 N/A SER 473.A OG PRO 469.A O no hydrogen 2.560 N/A MET 474.A N ARG 470.A O no hydrogen 3.473 N/A LYS 477.A NZ ALA 508.A O no hydrogen 3.208 N/A LYS 477.A NZ PHE 510.A O no hydrogen 3.391 N/A VAL 480.A N LYS 477.A O no hydrogen 2.926 N/A LYS 481.A N GLU 484.A OE1 no hydrogen 2.993 N/A LYS 481.A NZ GLU 484.A OE1 no hydrogen 2.922 N/A ARG 482.A NH2 MET 286.A O no hydrogen 3.218 N/A VAL 485.A N LYS 481.A O no hydrogen 2.714 N/A SER 486.A N ARG 482.A O no hydrogen 3.341 N/A ALA 488.A N GLU 484.A O no hydrogen 3.225 N/A ILE 489.A N VAL 485.A O no hydrogen 3.208 N/A ASP 490.A N SER 486.A O no hydrogen 2.967 N/A GLN 491.A N ASN 487.A O no hydrogen 2.893 N/A TYR 492.A N ALA 488.A O no hydrogen 3.180 N/A TYR 492.A OH ALA 515.A O no hydrogen 2.416 N/A VAL 493.A N ILE 489.A O no hydrogen 3.145 N/A THR 494.A N GLN 491.A O no hydrogen 3.103 N/A THR 494.A OG1 ASP 490.A O no hydrogen 2.854 N/A THR 494.A OG1 ASP 490.A OD2 no hydrogen 3.370 N/A THR 494.A OG1 GLN 491.A O no hydrogen 3.147 N/A GLY 495.A N TYR 492.A O no hydrogen 2.919 N/A GLY 498.A N GLY 495.A O no hydrogen 3.376 N/A GLU 499.A N ASP 502.A OD2 no hydrogen 3.379 N/A LEU 503.A N GLU 499.A O no hydrogen 2.978 N/A LYS 505.A N GLU 501.A O no hydrogen 2.905 N/A TRP 506.A N ASP 502.A O no hydrogen 2.965 N/A GLN 507.A N LEU 503.A O no hydrogen 2.840 N/A ALA 508.A N VAL 504.A O no hydrogen 2.910 N/A ALA 508.A N LYS 505.A O no hydrogen 2.994 N/A PHE 510.A N GLN 507.A O no hydrogen 2.855 N/A GLU 511.A N LYS 475.A O no hydrogen 3.355 N/A THR 518.A N GLU 521.A OE1 no hydrogen 2.655 N/A LYS 522.A N THR 518.A O no hydrogen 3.323 N/A LYS 523.A N GLU 519.A O no hydrogen 2.859 N/A GLN 524.A N GLU 521.A O no hydrogen 3.160 N/A GLN 524.A NE2 ALA 520.A O no hydrogen 3.332 N/A TRP 525.A N GLU 521.A O no hydrogen 2.952 N/A TRP 525.A NE1 TRP 464.A O no hydrogen 2.915 N/A ILE 526.A N LYS 522.A O no hydrogen 2.861 N/A ALA 527.A N GLN 524.A O no hydrogen 3.362 N/A LYS 528.A N TRP 525.A O no hydrogen 3.161 N/A LYS 528.A NZ GLN 524.A OE1 no hydrogen 3.363 N/A VAL 532.A N GLY 553.A O no hydrogen 3.031 N/A SER 533.A N ALA 434.A O no hydrogen 3.084 N/A LEU 534.A N PHE 556.A O no hydrogen 2.931 N/A SER 535.A N CYS 432.A O no hydrogen 2.968 N/A SER 535.A OG SER 420.A OG no hydrogen 3.271 N/A SER 536.A N VAL 558.A O no hydrogen 3.169 N/A SER 536.A OG ALA 538.A O no hydrogen 2.719 N/A ARG 543.A NE ASP 547.A OD1 no hydrogen 3.331 N/A ARG 543.A NH1 GLU 575.A OE2 no hydrogen 3.403 N/A ARG 543.A NH2 ASP 547.A OD1 no hydrogen 3.450 N/A ARG 543.A NH2 GLU 575.A OE2 no hydrogen 2.777 N/A ASN 545.A ND2 PHE 542.A O no hydrogen 2.769 N/A VAL 546.A N ARG 543.A O no hydrogen 2.696 N/A ASP 547.A N ARG 543.A O no hydrogen 3.014 N/A ARG 548.A N ASP 544.A O no hydrogen 3.293 N/A ARG 548.A NH1 ARG 548.A O no hydrogen 3.174 N/A ARG 548.A NH2 ASP 458.A OD1 no hydrogen 3.177 N/A ALA 549.A N ASN 545.A O no hydrogen 3.243 N/A LYS 550.A N VAL 546.A O no hydrogen 3.056 N/A LYS 550.A NZ LEU 576.A O no hydrogen 3.339 N/A ARG 551.A N ASP 547.A O no hydrogen 3.041 N/A ILE 552.A N ARG 548.A O no hydrogen 3.423 N/A GLY 553.A N LYS 550.A O no hydrogen 2.759 N/A VAL 554.A N ALA 549.A O no hydrogen 3.258 N/A GLN 555.A N VAL 532.A O no hydrogen 2.758 N/A PHE 556.A N VAL 532.A O no hydrogen 3.204 N/A ILE 557.A N THR 579.A O no hydrogen 3.001 N/A VAL 558.A N LEU 534.A O no hydrogen 2.853 N/A ALA 559.A N ILE 581.A O no hydrogen 3.167 N/A SER 561.A N THR 583.A O no hydrogen 3.029 N/A SER 561.A OG THR 583.A O no hydrogen 3.290 N/A GLY 562.A N ASP 566.A OD1 no hydrogen 2.695 N/A SER 563.A N ASP 566.A OD2 no hydrogen 3.105 N/A SER 563.A OG PHE 540.A O no hydrogen 2.675 N/A SER 563.A OG PRO 541.A O no hydrogen 2.725 N/A ALA 565.A N SER 563.A OG no hydrogen 3.256 N/A ASP 566.A N SER 563.A O no hydrogen 2.609 N/A VAL 568.A N ALA 565.A O no hydrogen 2.844 N/A VAL 569.A N ALA 565.A O no hydrogen 3.157 N/A ILE 570.A N ASP 566.A O no hydrogen 3.048 N/A GLU 571.A N GLU 567.A O no hydrogen 3.052 N/A ALA 572.A N VAL 569.A O no hydrogen 2.834 N/A CYS 573.A N VAL 569.A O no hydrogen 3.101 N/A CYS 573.A SG VAL 569.A O no hydrogen 3.693 N/A ASN 574.A N ILE 570.A O no hydrogen 3.189 N/A ASN 574.A ND2 GLU 571.A OE1 no hydrogen 2.759 N/A GLU 575.A N GLU 571.A O no hydrogen 3.109 N/A LEU 576.A N CYS 573.A O no hydrogen 2.978 N/A GLY 577.A N ASN 574.A O no hydrogen 3.367 N/A ILE 578.A N CYS 573.A O no hydrogen 2.838 N/A THR 579.A N GLN 555.A O no hydrogen 2.842 N/A THR 579.A OG1 THR 407.A O no hydrogen 3.133 N/A LEU 580.A N THR 403.A OG1 no hydrogen 2.869 N/A ILE 581.A N ILE 557.A O no hydrogen 2.823 N/A HIS 582.A N ASN 400.A O no hydrogen 3.266 N/A THR 583.A N ALA 559.A O no hydrogen 2.813 N/A THR 583.A OG1 LEU 585.A O no hydrogen 3.109 N/A LEU 587.A N ASP 537.A O no hydrogen 3.103 N/A HIS 589.A N SER 428.A OG no hydrogen 2.690 N/A