Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mgi_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N MET 1.A O no hydrogen 3.243 N/A ARG 6.A N ARG 2.A O no hydrogen 2.861 N/A ARG 6.A N MET 3.A O no hydrogen 2.967 N/A LYS 7.A N MET 3.A O no hydrogen 2.973 N/A LYS 7.A NZ ASP 16.A OD2 no hydrogen 3.071 N/A GLN 11.A N PRO 8.A O no hydrogen 2.765 N/A ARG 12.A NH1 LEU 45.A O no hydrogen 3.074 N/A ARG 12.A NH2 LEU 5.A O no hydrogen 3.183 N/A ARG 12.A NH2 LYS 7.A O no hydrogen 3.374 N/A ARG 12.A NH2 LEU 45.A O no hydrogen 2.626 N/A THR 13.A N ASP 16.A OD2 no hydrogen 3.510 N/A ASP 16.A N THR 13.A OG1 no hydrogen 2.890 N/A LEU 17.A N THR 13.A O no hydrogen 2.896 N/A GLU 18.A N VAL 14.A O no hydrogen 3.092 N/A ILE 19.A N ASP 15.A O no hydrogen 3.151 N/A ILE 20.A N ASP 16.A O no hydrogen 3.013 N/A TYR 21.A N LEU 17.A O no hydrogen 3.078 N/A ASP 22.A N GLU 18.A O no hydrogen 3.297 N/A GLU 23.A N ILE 19.A O no hydrogen 3.347 N/A LEU 24.A N ILE 20.A O no hydrogen 3.000 N/A HIS 26.A N GLU 23.A O no hydrogen 3.070 N/A LEU 30.A N ILE 27.A O no hydrogen 3.207 N/A SER 31.A N LYS 28.A O no hydrogen 3.466 N/A SER 31.A OG LYS 28.A O no hydrogen 2.731 N/A LEU 33.A N LEU 30.A O no hydrogen 2.960 N/A VAL 37.A N SER 34.A OG no hydrogen 3.061 N/A LYS 38.A N SER 34.A O no hydrogen 2.868 N/A ARG 39.A N THR 35.A O no hydrogen 3.108 N/A GLU 40.A N THR 36.A O no hydrogen 3.384 N/A LEU 41.A N VAL 37.A O no hydrogen 3.019 N/A ALA 42.A N LYS 38.A O no hydrogen 3.187 N/A VAL 44.A N LEU 41.A O no hydrogen 3.104 N/A LEU 45.A N LEU 41.A O no hydrogen 2.816 N/A ILE 46.A N ARG 120.A O no hydrogen 2.862 N/A PHE 47.A N LEU 5.A O no hydrogen 3.438 N/A GLU 48.A N PHE 118.A O no hydrogen 2.759 N/A SER 49.A OG HIS 117.A ND1 no hydrogen 2.975 N/A HIS 50.A N CYS 116.A O no hydrogen 3.013 N/A HIS 50.A NE2 GLU 48.A OE1 no hydrogen 2.756 N/A GLY 53.A N ASP 114.A OD1 no hydrogen 2.632 N/A GLY 54.A N LEU 111.A O no hydrogen 2.738 N/A THR 55.A OG1 LYS 52.A O no hydrogen 2.588 N/A LEU 57.A N ILE 109.A O no hydrogen 2.959 N/A ASN 59.A N GLU 62.A OE1 no hydrogen 3.337 N/A ASN 59.A ND2 GLU 62.A OE2 no hydrogen 3.082 N/A GLN 60.A N SER 108.A OG no hydrogen 2.954 N/A GLY 61.A N ARG 105.A O no hydrogen 2.801 N/A GLU 62.A N ASN 59.A O no hydrogen 3.356 N/A SER 66.A OG THR 65.A O no hydrogen 2.725 N/A SER 66.A OG ASP 122.A OD1 no hydrogen 2.901 N/A TRP 67.A N VAL 121.A O no hydrogen 3.002 N/A TRP 67.A NE1 ASP 93.A OD1 no hydrogen 2.999 N/A TYR 68.A N PHE 94.A O no hydrogen 2.848 N/A ILE 69.A N LEU 119.A O no hydrogen 2.825 N/A ILE 70.A N ASP 92.A O no hydrogen 3.008 N/A LEU 71.A N HIS 117.A O no hydrogen 2.878 N/A LYS 72.A N HIS 117.A O no hydrogen 3.235 N/A LYS 72.A NZ ASN 115.A O no hydrogen 3.295 N/A SER 74.A OG GLU 113.A OE2 no hydrogen 3.031 N/A VAL 75.A N LEU 88.A O no hydrogen 2.931 N/A ASN 76.A N VAL 110.A O no hydrogen 2.688 N/A VAL 77.A N CYS 86.A O no hydrogen 2.806 N/A VAL 78.A N SER 108.A O no hydrogen 2.830 N/A ILE 79.A N GLY 83.A O no hydrogen 3.036 N/A LYS 82.A N ILE 79.A O no hydrogen 3.050 N/A LYS 82.A NZ GLU 168.A OE2 no hydrogen 3.234 N/A VAL 85.A N VAL 77.A O no hydrogen 2.774 N/A CYS 86.A SG LYS 141.A O no hydrogen 3.591 N/A LEU 88.A N VAL 75.A O no hydrogen 2.929 N/A HIS 89.A N ASP 92.A OD1 no hydrogen 2.972 N/A GLY 91.A N ILE 70.A O no hydrogen 2.902 N/A ASP 92.A N HIS 89.A O no hydrogen 3.030 N/A PHE 94.A N TYR 68.A O no hydrogen 3.085 N/A LYS 96.A NZ GLU 134.A O no hydrogen 3.537 N/A LYS 96.A NZ GLU 134.A OE1 no hydrogen 3.228 N/A LYS 96.A NZ TYR 156.A OH no hydrogen 2.817 N/A VAL 100.A N LYS 96.A O no hydrogen 3.079 N/A ASN 101.A N LEU 97.A O no hydrogen 2.930 N/A ASN 101.A ND2 TYR 156.A O no hydrogen 2.917 N/A ALA 103.A N ALA 98.A O no hydrogen 3.027 N/A ARG 105.A N GLU 62.A O no hydrogen 2.768 N/A ARG 105.A NH1 GLY 95.A O no hydrogen 2.947 N/A ARG 105.A NH2 SER 66.A O no hydrogen 2.797 N/A SER 108.A N VAL 78.A O no hydrogen 2.709 N/A ILE 109.A N PHE 58.A O no hydrogen 3.036 N/A VAL 110.A N ASN 76.A O no hydrogen 3.012 N/A LEU 111.A N THR 55.A O no hydrogen 2.809 N/A ARG 112.A N SER 74.A O no hydrogen 3.039 N/A ASN 115.A N ALA 51.A O no hydrogen 2.708 N/A ASN 115.A ND2 HIS 117.A NE2 no hydrogen 3.349 N/A CYS 116.A N HIS 50.A O no hydrogen 2.778 N/A CYS 116.A SG SER 74.A O no hydrogen 3.764 N/A CYS 116.A SG GLU 113.A O no hydrogen 3.489 N/A HIS 117.A N LYS 72.A O no hydrogen 3.042 N/A HIS 117.A ND1 SER 49.A OG no hydrogen 2.975 N/A PHE 118.A N GLU 48.A O no hydrogen 2.670 N/A LEU 119.A N ILE 69.A O no hydrogen 2.889 N/A ARG 120.A N ILE 46.A O no hydrogen 2.739 N/A ARG 120.A NE ASP 122.A OD1 no hydrogen 2.907 N/A ARG 120.A NH2 ASP 122.A OD1 no hydrogen 3.527 N/A VAL 121.A N TRP 67.A O no hydrogen 3.002 N/A PHE 126.A N ASP 122.A O no hydrogen 2.930 N/A ASN 127.A N LYS 123.A O no hydrogen 2.933 N/A ILE 129.A N ASP 125.A O no hydrogen 3.176 N/A LEU 130.A N PHE 126.A O no hydrogen 2.765 N/A VAL 133.A N LEU 130.A O no hydrogen 3.183 N/A GLU 134.A N LEU 130.A O no hydrogen 2.905 N/A ASN 136.A N GLU 134.A OE1 no hydrogen 3.367 N/A THR 137.A OG1 GLU 151.A OE2 no hydrogen 2.670 N/A VAL 138.A N LEU 150.A O no hydrogen 3.002 N/A ARG 139.A NH1 ASP 146.A OD2 no hydrogen 2.742 N/A LEU 140.A N LEU 148.A O no hydrogen 2.914 N/A GLU 142.A N GLN 145.A O no hydrogen 3.005 N/A HIS 143.A N VAL 85.A O no hydrogen 3.208 N/A GLN 145.A N GLU 142.A O no hydrogen 3.102 N/A VAL 147.A N LEU 140.A O no hydrogen 2.941 N/A LEU 148.A N LEU 140.A O no hydrogen 3.336 N/A VAL 149.A N SER 160.A O no hydrogen 2.860 N/A LEU 150.A N VAL 138.A O no hydrogen 2.917 N/A GLU 151.A N THR 157.A O no hydrogen 2.999 N/A LYS 152.A NZ ASP 132.A OD1 no hydrogen 2.857 N/A LYS 152.A NZ GLN 154.A O no hydrogen 2.778 N/A TYR 156.A N ASN 101.A OD1 no hydrogen 2.709 N/A TYR 156.A OH ASN 136.A O no hydrogen 3.233 N/A THR 157.A N GLU 151.A O no hydrogen 2.848 N/A THR 157.A OG1 GLU 151.A O no hydrogen 3.541 N/A MET 159.A N VAL 149.A O no hydrogen 2.718 N/A SER 160.A N VAL 149.A O no hydrogen 3.394 N/A GLY 161.A N VAL 574.A O no hydrogen 3.292 N/A THR 162.A N VAL 147.A O no hydrogen 3.027 N/A LYS 165.A N THR 162.A OG1 no hydrogen 3.155 N/A LYS 165.A NZ GLU 142.A OE2 no hydrogen 3.567 N/A ILE 166.A N THR 162.A O no hydrogen 2.959 N/A LEU 167.A N PRO 163.A O no hydrogen 3.096 N/A GLU 168.A N GLU 164.A O no hydrogen 2.968 N/A HIS 169.A N LYS 165.A O no hydrogen 2.828 N/A PHE 170.A N ILE 166.A O no hydrogen 2.994 N/A LEU 171.A N LEU 167.A O no hydrogen 2.959 N/A GLU 172.A N GLU 168.A O no hydrogen 3.149 N/A THR 173.A N HIS 169.A O no hydrogen 3.250 N/A THR 173.A OG1 HIS 169.A O no hydrogen 2.927 N/A ILE 174.A N LEU 171.A O no hydrogen 3.240 N/A ARG 175.A NH2 ASP 102.A O no hydrogen 2.756 N/A LEU 180.A N GLU 177.A O no hydrogen 2.877 N/A ASN 181.A N PRO 178.A O no hydrogen 3.276 N/A ASN 181.A ND2 PRO 178.A O no hydrogen 2.718 N/A THR 184.A N LEU 180.A O no hydrogen 2.923 N/A THR 184.A OG1 ARG 175.A O no hydrogen 2.878 N/A THR 184.A OG1 LEU 180.A O no hydrogen 3.162 N/A ASP 185.A N ASN 181.A O no hydrogen 3.365 N/A SER 186.A N GLU 182.A O no hydrogen 3.122 N/A VAL 187.A N ALA 183.A O no hydrogen 3.086 N/A LEU 188.A N THR 184.A O no hydrogen 3.092 N/A VAL 192.A N LEU 188.A O no hydrogen 2.936 N/A MET 193.A N ASN 189.A O no hydrogen 2.984 N/A MET 194.A N ASP 190.A O no hydrogen 2.940 N/A HIS 195.A N PHE 191.A O no hydrogen 2.949 N/A HIS 195.A ND1 VAL 192.A O no hydrogen 2.935 N/A HIS 195.A NE2 ASN 201.A OD1 no hydrogen 3.119 N/A CYS 196.A SG MET 193.A O no hydrogen 3.971 N/A VAL 197.A N MET 194.A O no hydrogen 3.160 N/A PHE 198.A N HIS 195.A O no hydrogen 3.038 N/A MET 199.A N HIS 195.A O no hydrogen 2.552 N/A ASN 201.A ND2 ASP 253.A OD2 no hydrogen 3.175 N/A GLN 203.A N PRO 200.A O no hydrogen 2.871 N/A LEU 204.A N PRO 200.A O no hydrogen 2.905 N/A CYS 205.A N ASN 201.A O no hydrogen 2.942 N/A ALA 207.A N GLN 203.A O no hydrogen 3.209 N/A LEU 208.A N LEU 204.A O no hydrogen 2.856 N/A VAL 209.A N CYS 205.A O no hydrogen 3.144 N/A ALA 210.A N PRO 206.A O no hydrogen 3.078 N/A HIS 211.A N ALA 207.A O no hydrogen 2.973 N/A TYR 212.A N LEU 208.A O no hydrogen 2.928 N/A TYR 212.A OH ASP 270.A OD1 no hydrogen 2.705 N/A HIS 213.A N VAL 209.A O no hydrogen 3.118 N/A ALA 214.A N HIS 211.A O no hydrogen 3.108 N/A THR 220.A N GLU 223.A OE1 no hydrogen 3.120 N/A ARG 224.A N THR 220.A O no hydrogen 2.889 N/A ARG 224.A NE GLY 219.A O no hydrogen 2.707 N/A MET 225.A N GLU 221.A O no hydrogen 2.784 N/A ASP 226.A N GLN 222.A O no hydrogen 2.938 N/A TYR 227.A N GLU 223.A O no hydrogen 3.183 N/A ALA 228.A N ARG 224.A O no hydrogen 3.114 N/A LEU 229.A N MET 225.A O no hydrogen 3.062 N/A ASN 230.A N ASP 226.A O no hydrogen 3.020 N/A ASN 231.A N TYR 227.A O no hydrogen 2.808 N/A ASN 231.A ND2 HIS 211.A O no hydrogen 2.665 N/A LYS 232.A N ALA 228.A O no hydrogen 2.944 N/A LYS 232.A NZ TYR 212.A O no hydrogen 3.342 N/A ARG 233.A N LEU 229.A O no hydrogen 2.944 N/A ARG 233.A NH1 ASN 230.A OD1 no hydrogen 2.995 N/A ARG 234.A N ASN 230.A O no hydrogen 2.870 N/A ARG 234.A NE ILE 174.A O no hydrogen 3.125 N/A VAL 235.A N ASN 231.A O no hydrogen 3.045 N/A ILE 236.A N LYS 232.A O no hydrogen 3.084 N/A ARG 237.A N ARG 233.A O no hydrogen 3.166 N/A ARG 237.A NE ASP 185.A OD1 no hydrogen 3.317 N/A ARG 237.A NH2 ASP 185.A OD1 no hydrogen 3.077 N/A LEU 238.A N ARG 234.A O no hydrogen 3.067 N/A VAL 239.A N VAL 235.A O no hydrogen 2.931 N/A LEU 240.A N ILE 236.A O no hydrogen 2.872 N/A GLN 241.A N ARG 237.A O no hydrogen 3.144 N/A TRP 242.A N LEU 238.A O no hydrogen 2.809 N/A TRP 242.A NE1 ASN 201.A OD1 no hydrogen 3.164 N/A ALA 243.A N VAL 239.A O no hydrogen 2.727 N/A ALA 244.A N LEU 240.A O no hydrogen 2.935 N/A MET 245.A N GLN 241.A O no hydrogen 3.080 N/A TYR 246.A N TRP 242.A O no hydrogen 3.361 N/A TYR 246.A OH HIS 195.A NE2 no hydrogen 3.067 N/A GLY 247.A N ALA 243.A O no hydrogen 3.006 N/A LEU 249.A N TYR 246.A O no hydrogen 3.118 N/A GLN 251.A N ASP 248.A O no hydrogen 3.346 N/A GLU 252.A N LEU 249.A O no hydrogen 3.231 N/A ASP 253.A N LEU 250.A O no hydrogen 2.837 N/A ALA 256.A N ASP 253.A OD1 no hydrogen 3.162 N/A MET 257.A N ASP 253.A O no hydrogen 2.997 N/A ALA 258.A N ASP 254.A O no hydrogen 2.844 N/A PHE 259.A N VAL 255.A O no hydrogen 3.033 N/A LEU 260.A N ALA 256.A O no hydrogen 2.998 N/A GLU 261.A N MET 257.A O no hydrogen 2.864 N/A GLU 262.A N ALA 258.A O no hydrogen 3.054 N/A PHE 263.A N PHE 259.A O no hydrogen 2.723 N/A TYR 264.A N LEU 260.A O no hydrogen 2.921 N/A VAL 265.A N GLU 261.A O no hydrogen 3.325 N/A SER 266.A N GLU 262.A O no hydrogen 2.913 N/A VAL 267.A N PHE 263.A O no hydrogen 2.938 N/A SER 268.A N TYR 264.A O no hydrogen 2.832 N/A SER 268.A OG TYR 264.A O no hydrogen 2.714 N/A SER 268.A OG VAL 265.A O no hydrogen 3.026 N/A ASP 269.A N VAL 265.A O no hydrogen 2.977 N/A ASP 270.A N SER 266.A O no hydrogen 2.943 N/A ALA 271.A N VAL 267.A O no hydrogen 2.785 N/A ARG 272.A N SER 268.A O no hydrogen 3.233 N/A MET 273.A N ASP 269.A O no hydrogen 3.239 N/A MET 274.A N ASP 270.A O no hydrogen 2.779 N/A ALA 276.A N ALA 271.A O no hydrogen 3.244 N/A LYS 278.A NZ ALA 275.A O no hydrogen 3.304 N/A LEU 281.A N PHE 277.A O no hydrogen 2.940 N/A LEU 284.A N GLN 280.A O no hydrogen 3.032 N/A GLU 285.A N LEU 281.A O no hydrogen 2.936 N/A LYS 286.A N PRO 282.A O no hydrogen 3.195 N/A ILE 292.A N ASN 440.A OD1 no hydrogen 2.891 N/A ARG 293.A N ASP 296.A OD2 no hydrogen 3.240 N/A SER 295.A OG GLU 252.A OE1 no hydrogen 3.275 N/A SER 295.A OG GLU 252.A OE2 no hydrogen 2.898 N/A ASP 296.A N ARG 293.A O no hydrogen 3.328 N/A VAL 298.A N VAL 314.A O no hydrogen 3.009 N/A PHE 300.A N ILE 312.A O no hydrogen 3.054 N/A VAL 302.A N THR 310.A O no hydrogen 2.824 N/A TYR 303.A N LEU 368.A O no hydrogen 2.817 N/A CYS 304.A N THR 308.A O no hydrogen 2.752 N/A HIS 307.A N CYS 304.A O no hydrogen 3.108 N/A HIS 307.A NE2 THR 380.A O no hydrogen 2.707 N/A THR 308.A N ASP 306.A OD1 no hydrogen 3.166 N/A THR 308.A OG1 ASP 306.A OD1 no hydrogen 2.573 N/A THR 310.A N VAL 302.A O no hydrogen 2.816 N/A ILE 312.A N PHE 300.A O no hydrogen 2.914 N/A VAL 314.A N VAL 298.A O no hydrogen 3.444 N/A VAL 316.A N ASP 296.A O no hydrogen 2.779 N/A ALA 317.A N GLY 294.A O no hydrogen 3.020 N/A ALA 318.A N PRO 315.A O no hydrogen 3.143 N/A VAL 320.A N ASP 355.A O no hydrogen 2.756 N/A GLU 322.A N SER 319.A OG no hydrogen 3.149 N/A VAL 323.A N SER 319.A O no hydrogen 2.983 N/A ILE 324.A N VAL 320.A O no hydrogen 2.784 N/A SER 325.A N LYS 321.A O no hydrogen 3.029 N/A ALA 326.A N GLU 322.A O no hydrogen 3.133 N/A VAL 327.A N VAL 323.A O no hydrogen 3.041 N/A ALA 328.A N ILE 324.A O no hydrogen 2.960 N/A ASP 329.A N SER 325.A O no hydrogen 3.045 N/A LYS 330.A NZ THR 311.A O no hydrogen 3.077 N/A LEU 331.A N VAL 327.A O no hydrogen 3.007 N/A SER 333.A N ALA 328.A O no hydrogen 3.078 N/A ILE 338.A N CYS 371.A O no hydrogen 2.843 N/A VAL 340.A N PHE 369.A O no hydrogen 2.889 N/A LYS 341.A N VAL 349.A O no hydrogen 2.924 N/A LYS 341.A NZ THR 361.A O no hydrogen 3.510 N/A MET 342.A N ARG 367.A O no hydrogen 3.039 N/A ASN 343.A N GLU 347.A O no hydrogen 2.998 N/A SER 344.A OG ASP 613.A OD1 no hydrogen 2.577 N/A GLY 346.A N ASN 343.A O no hydrogen 3.124 N/A LYS 348.A NZ PHE 376.A O no hydrogen 3.033 N/A VAL 349.A N LYS 341.A O no hydrogen 2.990 N/A LEU 351.A N ILE 339.A O no hydrogen 2.788 N/A LYS 352.A N ASP 355.A OD2 no hydrogen 2.787 N/A ASP 355.A N LYS 352.A O no hydrogen 2.772 N/A SER 357.A N ALA 318.A O no hydrogen 2.984 N/A SER 357.A OG VAL 316.A O no hydrogen 3.130 N/A SER 357.A OG THR 437.A OG1 no hydrogen 2.654 N/A THR 360.A OG1 ASP 442.A OD2 no hydrogen 2.784 N/A THR 361.A N VAL 358.A O no hydrogen 2.924 N/A THR 361.A OG1 VAL 358.A O no hydrogen 2.678 N/A THR 363.A OG1 ASN 343.A OD1 no hydrogen 3.314 N/A ASN 365.A N ASP 613.A OD2 no hydrogen 2.942 N/A ASN 365.A ND2 VAL 611.A O no hydrogen 2.812 N/A ASN 365.A ND2 ASP 613.A OD1 no hydrogen 2.926 N/A GLY 366.A N THR 363.A O no hydrogen 3.023 N/A ARG 367.A N MET 342.A O no hydrogen 3.146 N/A ARG 367.A NH1 GLY 366.A O no hydrogen 2.966 N/A PHE 369.A N VAL 340.A O no hydrogen 2.907 N/A ALA 370.A N TYR 303.A O no hydrogen 2.964 N/A CYS 371.A N ILE 338.A O no hydrogen 3.158 N/A CYS 371.A SG PRO 372.A O no hydrogen 3.580 N/A GLN 375.A N PRO 372.A O no hydrogen 3.004 N/A PHE 376.A N ARG 373.A O no hydrogen 3.274 N/A SER 378.A N GLN 375.A O no hydrogen 2.956 N/A LEU 382.A N GLN 385.A OE1 no hydrogen 2.767 N/A GLN 385.A N LEU 382.A O no hydrogen 3.046 N/A GLN 385.A NE2 MET 342.A O no hydrogen 3.067 N/A GLN 385.A NE2 ASN 365.A O no hydrogen 2.907 N/A GLU 386.A N PRO 383.A O no hydrogen 3.121 N/A THR 392.A N GLU 458.A OE1 no hydrogen 3.066 N/A THR 392.A OG1 GLU 458.A OE2 no hydrogen 2.595 N/A THR 395.A N THR 392.A O no hydrogen 2.800 N/A PHE 396.A N THR 392.A O no hydrogen 3.300 N/A GLU 397.A N VAL 393.A O no hydrogen 2.837 N/A MET 399.A N PHE 396.A O no hydrogen 3.132 N/A LYS 402.A N SER 400.A OG no hydrogen 3.112 N/A LEU 404.A N SER 400.A O no hydrogen 2.876 N/A ALA 405.A N SER 401.A O no hydrogen 3.081 N/A TYR 406.A N LYS 402.A O no hydrogen 3.124 N/A GLN 407.A N ASP 403.A O no hydrogen 3.067 N/A MET 408.A N LEU 404.A O no hydrogen 2.967 N/A THR 409.A N ALA 405.A O no hydrogen 3.044 N/A THR 409.A OG1 ALA 405.A O no hydrogen 2.808 N/A THR 410.A N TYR 406.A O no hydrogen 2.917 N/A THR 410.A OG1 TYR 406.A O no hydrogen 3.006 N/A TYR 411.A N GLN 407.A O no hydrogen 3.163 N/A ASP 412.A N MET 408.A O no hydrogen 2.716 N/A TRP 413.A N THR 409.A O no hydrogen 2.847 N/A GLU 414.A N THR 410.A O no hydrogen 3.149 N/A LEU 415.A N TYR 411.A O no hydrogen 3.111 N/A PHE 416.A N ASP 412.A O no hydrogen 2.849 N/A ASN 417.A N TRP 413.A O no hydrogen 2.919 N/A CYS 418.A N LEU 415.A O no hydrogen 3.355 N/A CYS 418.A SG GLU 414.A O no hydrogen 3.146 N/A VAL 419.A N PHE 416.A O no hydrogen 3.343 N/A HIS 420.A N GLU 423.A OE2 no hydrogen 2.959 N/A HIS 420.A NE2 MET 245.A O no hydrogen 2.867 N/A GLU 423.A N HIS 420.A O no hydrogen 2.922 N/A LEU 424.A N GLU 421.A O no hydrogen 3.260 N/A TYR 426.A N LEU 422.A O no hydrogen 2.847 N/A HIS 427.A N GLU 423.A O no hydrogen 2.938 N/A THR 428.A N LEU 424.A O no hydrogen 3.242 N/A THR 428.A OG1 LEU 424.A O no hydrogen 2.614 N/A PHE 429.A N ILE 425.A O no hydrogen 3.189 N/A ARG 431.A NH1 THR 438.A OG1 no hydrogen 2.667 N/A ASN 433.A N GLY 430.A O no hydrogen 3.230 N/A ASN 433.A ND2 PHE 429.A O no hydrogen 2.663 N/A ASN 433.A ND2 GLY 430.A O no hydrogen 3.592 N/A PHE 434.A N ARG 431.A O no hydrogen 3.090 N/A LYS 435.A N ARG 431.A O no hydrogen 2.788 N/A THR 437.A OG1 SER 357.A OG no hydrogen 2.654 N/A THR 438.A OG1 ASP 442.A OD1 no hydrogen 2.881 N/A THR 438.A OG1 ASP 442.A OD2 no hydrogen 3.326 N/A ALA 439.A N THR 437.A OG1 no hydrogen 3.079 N/A ASN 440.A N GLU 423.A OE1 no hydrogen 3.211 N/A ASN 440.A ND2 ILE 292.A O no hydrogen 3.043 N/A ASN 440.A ND2 GLU 423.A OE2 no hydrogen 3.215 N/A LEU 441.A N GLU 423.A OE1 no hydrogen 3.353 N/A ASP 442.A N THR 438.A O no hydrogen 2.774 N/A LEU 443.A N ALA 439.A O no hydrogen 3.071 N/A PHE 444.A N ASN 440.A O no hydrogen 3.169 N/A LEU 445.A N LEU 441.A O no hydrogen 2.820 N/A ARG 446.A N ASP 442.A O no hydrogen 2.991 N/A ARG 446.A NE LEU 362.A O no hydrogen 3.584 N/A ARG 446.A NH2 LEU 362.A O no hydrogen 3.423 N/A ARG 447.A N LEU 443.A O no hydrogen 3.220 N/A ARG 447.A NE GLU 450.A OE1 no hydrogen 3.434 N/A ARG 447.A NH1 ASP 412.A OD1 no hydrogen 2.978 N/A GLU 450.A N ARG 446.A O no hydrogen 2.935 N/A ILE 451.A N ARG 447.A O no hydrogen 3.038 N/A GLN 452.A N PHE 448.A O no hydrogen 3.132 N/A PHE 453.A N ASN 449.A O no hydrogen 2.923 N/A TRP 454.A N GLU 450.A O no hydrogen 2.874 N/A TRP 454.A NE1 TYR 605.A OH no hydrogen 3.136 N/A VAL 455.A N ILE 451.A O no hydrogen 3.226 N/A VAL 456.A N GLN 452.A O no hydrogen 3.392 N/A THR 457.A N PHE 453.A O no hydrogen 2.845 N/A THR 457.A OG1 PHE 453.A O no hydrogen 2.627 N/A GLU 458.A N TRP 454.A O no hydrogen 3.084 N/A VAL 459.A N VAL 455.A O no hydrogen 3.126 N/A CYS 460.A N VAL 456.A O no hydrogen 3.072 N/A CYS 460.A SG VAL 456.A O no hydrogen 3.323 N/A CYS 460.A SG LEU 618.A O no hydrogen 3.518 N/A LEU 461.A N THR 457.A O no hydrogen 2.995 N/A CYS 462.A N VAL 459.A O no hydrogen 3.165 N/A CYS 462.A SG GLN 464.A O no hydrogen 3.826 N/A SER 463.A OG GLN 464.A OE1 no hydrogen 3.349 N/A GLN 464.A N GLN 464.A OE1 no hydrogen 2.735 N/A ARG 468.A N GLN 464.A O no hydrogen 2.857 N/A ARG 468.A NE THR 509.A OG1 no hydrogen 3.171 N/A ARG 468.A NH1 CYS 462.A O no hydrogen 2.836 N/A ARG 468.A NH1 SER 463.A O no hydrogen 3.223 N/A ARG 468.A NH2 GLU 626.A OE2 no hydrogen 2.816 N/A VAL 469.A N LEU 465.A O no hydrogen 3.133 N/A GLN 470.A N SER 466.A O no hydrogen 3.417 N/A LEU 471.A N LYS 467.A O no hydrogen 2.893 N/A LEU 472.A N ARG 468.A O no hydrogen 3.173 N/A LYS 473.A N VAL 469.A O no hydrogen 3.046 N/A LYS 474.A N GLN 470.A O no hydrogen 3.017 N/A LYS 474.A NZ MET 399.A O no hydrogen 2.762 N/A PHE 475.A N LEU 471.A O no hydrogen 2.920 N/A ILE 476.A N LEU 472.A O no hydrogen 3.177 N/A LYS 477.A N LYS 473.A O no hydrogen 3.204 N/A ILE 478.A N LYS 474.A O no hydrogen 2.884 N/A ALA 479.A N PHE 475.A O no hydrogen 2.756 N/A ALA 480.A N ILE 476.A O no hydrogen 2.944 N/A HIS 481.A N LYS 477.A O no hydrogen 2.961 N/A CYS 482.A N ILE 478.A O no hydrogen 2.999 N/A CYS 482.A SG ILE 478.A O no hydrogen 3.335 N/A LYS 483.A N ALA 479.A O no hydrogen 3.033 N/A GLU 484.A N ALA 480.A O no hydrogen 3.261 N/A TYR 485.A N HIS 481.A O no hydrogen 3.126 N/A LYS 486.A NZ GLU 545.A O no hydrogen 3.452 N/A ASN 487.A N CYS 482.A O no hydrogen 2.978 N/A ASN 487.A ND2 THR 409.A OG1 no hydrogen 3.298 N/A ASN 487.A ND2 ASP 412.A OD2 no hydrogen 2.800 N/A ASN 487.A ND2 SER 490.A OG no hydrogen 3.222 N/A LEU 488.A N ILE 549.A O no hydrogen 2.929 N/A ASN 489.A N ILE 549.A O no hydrogen 3.376 N/A SER 490.A N ASN 487.A OD1 no hydrogen 3.059 N/A SER 490.A OG ASP 412.A OD2 no hydrogen 2.480 N/A PHE 491.A N ASN 487.A O no hydrogen 3.198 N/A PHE 492.A N LEU 488.A O no hydrogen 2.895 N/A ALA 493.A N ASN 489.A O no hydrogen 3.033 N/A ILE 494.A N SER 490.A O no hydrogen 3.073 N/A VAL 495.A N PHE 491.A O no hydrogen 3.079 N/A MET 496.A N PHE 492.A O no hydrogen 2.831 N/A GLY 497.A N ALA 493.A O no hydrogen 2.972 N/A LEU 498.A N ILE 494.A O no hydrogen 2.919 N/A SER 499.A N VAL 495.A O no hydrogen 2.943 N/A SER 499.A OG VAL 495.A O no hydrogen 2.900 N/A SER 499.A OG TYR 521.A OH no hydrogen 2.800 N/A SER 499.A OG GLU 525.A OE1 no hydrogen 3.471 N/A ASN 500.A N GLY 497.A O no hydrogen 3.226 N/A ASN 500.A ND2 GLN 615.A OE1 no hydrogen 3.138 N/A ALA 502.A N ASN 500.A OD1 no hydrogen 2.990 N/A VAL 503.A N ASN 500.A O no hydrogen 2.769 N/A SER 504.A N ASN 500.A O no hydrogen 2.773 N/A SER 504.A OG ASN 500.A O no hydrogen 3.512 N/A SER 504.A OG VAL 501.A O no hydrogen 3.486 N/A ARG 505.A N VAL 501.A O no hydrogen 3.215 N/A ARG 505.A NH1 SER 622.A O no hydrogen 3.543 N/A ARG 505.A NH1 SER 622.A OG no hydrogen 3.123 N/A ARG 505.A NH1 GLU 626.A O no hydrogen 3.453 N/A ARG 505.A NH2 GLU 626.A O no hydrogen 2.698 N/A LEU 506.A N VAL 503.A O no hydrogen 3.364 N/A ALA 507.A N ARG 505.A O no hydrogen 2.781 N/A LEU 508.A N GLU 626.A OE1 no hydrogen 2.996 N/A THR 509.A N LEU 506.A O no hydrogen 2.998 N/A THR 509.A OG1 GLU 626.A OE2 no hydrogen 2.607 N/A TRP 510.A N LEU 506.A O no hydrogen 3.032 N/A TRP 510.A NE1 VAL 503.A O no hydrogen 2.806 N/A GLU 511.A N ALA 507.A O no hydrogen 2.772 N/A LEU 513.A N TRP 510.A O no hydrogen 3.248 N/A PHE 517.A N PRO 514.A O no hydrogen 3.024 N/A LYS 518.A N PRO 514.A O no hydrogen 3.077 N/A LYS 519.A N SER 515.A O no hydrogen 3.130 N/A PHE 520.A N LYS 516.A O no hydrogen 3.364 N/A TYR 521.A N PHE 517.A O no hydrogen 3.194 N/A TYR 521.A OH SER 499.A OG no hydrogen 2.800 N/A ALA 522.A N LYS 518.A O no hydrogen 3.156 N/A GLU 523.A N LYS 519.A O no hydrogen 3.163 N/A PHE 524.A N PHE 520.A O no hydrogen 3.023 N/A GLU 525.A N TYR 521.A O no hydrogen 2.736 N/A SER 526.A N ALA 522.A O no hydrogen 3.198 N/A SER 526.A N GLU 523.A O no hydrogen 3.266 N/A SER 526.A OG ALA 522.A O no hydrogen 3.466 N/A SER 526.A OG GLU 523.A O no hydrogen 2.602 N/A LEU 527.A N GLU 523.A O no hydrogen 3.207 N/A MET 528.A N GLU 525.A O no hydrogen 3.339 N/A ASP 529.A N SER 526.A O no hydrogen 3.189 N/A HIS 534.A N PRO 530.A O no hydrogen 3.094 N/A ARG 535.A N SER 531.A O no hydrogen 3.176 N/A ARG 538.A N HIS 534.A O no hydrogen 2.948 N/A ARG 538.A NH1 ASN 533.A O no hydrogen 2.801 N/A ARG 538.A NH2 ASP 558.A OD1 no hydrogen 2.774 N/A LEU 539.A N ARG 535.A O no hydrogen 3.077 N/A THR 540.A OG1 ALA 536.A O no hydrogen 2.591 N/A ALA 541.A N TYR 537.A O no hydrogen 2.897 N/A ALA 542.A N ARG 538.A O no hydrogen 3.111 N/A LYS 543.A N LEU 539.A O no hydrogen 3.300 N/A LEU 544.A N ALA 541.A O no hydrogen 3.327 N/A LEU 548.A N TYR 592.A O no hydrogen 3.195 N/A ILE 549.A N LYS 486.A O no hydrogen 3.042 N/A PHE 551.A N TYR 537.A OH no hydrogen 2.742 N/A MET 552.A N ASN 489.A OD1 no hydrogen 2.985 N/A LEU 554.A N PHE 551.A O no hydrogen 3.248 N/A LEU 555.A N PHE 551.A O no hydrogen 3.432 N/A ILE 556.A N MET 552.A O no hydrogen 3.019 N/A LYS 557.A N PRO 553.A O no hydrogen 2.996 N/A ASP 558.A N LEU 554.A O no hydrogen 2.980 N/A MET 559.A N LEU 555.A O no hydrogen 3.080 N/A THR 560.A N ILE 556.A O no hydrogen 3.082 N/A THR 560.A OG1 ILE 556.A O no hydrogen 2.680 N/A PHE 561.A N LYS 557.A O no hydrogen 2.987 N/A THR 562.A N ASP 558.A O no hydrogen 2.947 N/A THR 562.A OG1 ASP 558.A O no hydrogen 2.599 N/A HIS 563.A N MET 559.A O no hydrogen 3.129 N/A GLU 564.A N THR 560.A O no hydrogen 2.956 N/A GLY 565.A N PHE 561.A O no hydrogen 2.804 N/A ASN 566.A ND2 THR 562.A O no hydrogen 2.845 N/A ILE 570.A N LEU 573.A O no hydrogen 2.786 N/A LEU 573.A N ILE 570.A O no hydrogen 3.098 N/A VAL 574.A N GLY 161.A O no hydrogen 2.904 N/A ASN 575.A N THR 568.A O no hydrogen 2.727 N/A ASN 575.A ND2 LYS 567.A O no hydrogen 2.742 N/A PHE 576.A N MET 159.A O no hydrogen 2.801 N/A GLU 577.A N MET 159.A O no hydrogen 3.188 N/A LYS 578.A N ASN 575.A O no hydrogen 3.166 N/A LYS 578.A N ASN 575.A OD1 no hydrogen 3.345 N/A LYS 578.A NZ HIS 563.A O no hydrogen 3.398 N/A LYS 578.A NZ ASN 566.A O no hydrogen 3.137 N/A LYS 578.A NZ THR 568.A OG1 no hydrogen 2.780 N/A MET 579.A N ASN 575.A O no hydrogen 3.268 N/A ARG 580.A N PHE 576.A O no hydrogen 3.068 N/A ARG 580.A NH1 VAL 158.A O no hydrogen 2.790 N/A ARG 580.A NH2 VAL 158.A O no hydrogen 3.531 N/A ILE 582.A N LYS 578.A O no hydrogen 3.162 N/A ALA 583.A N MET 579.A O no hydrogen 3.065 N/A ASN 584.A N ARG 580.A O no hydrogen 2.813 N/A THR 585.A N MET 581.A O no hydrogen 3.272 N/A THR 585.A OG1 MET 581.A O no hydrogen 3.131 N/A ALA 586.A N ILE 582.A O no hydrogen 3.183 N/A ARG 587.A N ALA 583.A O no hydrogen 2.970 N/A ARG 587.A NH1 ASN 189.A OD1 no hydrogen 2.795 N/A ARG 587.A NH1 ASP 190.A OD1 no hydrogen 2.819 N/A ARG 587.A NH2 ASP 190.A OD1 no hydrogen 2.665 N/A ARG 587.A NH2 ASN 584.A OD1 no hydrogen 2.745 N/A THR 588.A N ASN 584.A O no hydrogen 3.085 N/A THR 588.A OG1 ASN 584.A O no hydrogen 2.778 N/A THR 588.A OG1 THR 585.A O no hydrogen 3.395 N/A VAL 589.A N THR 585.A O no hydrogen 3.453 N/A ARG 590.A N ALA 586.A O no hydrogen 3.101 N/A TYR 591.A N ARG 587.A O no hydrogen 2.824 N/A TYR 592.A N THR 588.A O no hydrogen 2.991 N/A ARG 593.A N ARG 590.A O no hydrogen 3.234 N/A ARG 593.A NH1 PHE 416.A O no hydrogen 2.674 N/A ARG 593.A NH1 VAL 419.A O no hydrogen 2.651 N/A ARG 593.A NH2 VAL 419.A O no hydrogen 3.336 N/A SER 594.A N TYR 591.A O no hydrogen 3.308 N/A SER 594.A OG TYR 591.A O no hydrogen 2.628 N/A ARG 603.A N HIS 599.A O no hydrogen 3.202 N/A SER 604.A N GLN 600.A O no hydrogen 3.060 N/A SER 604.A OG GLN 600.A O no hydrogen 3.155 N/A TYR 605.A N ASP 601.A O no hydrogen 3.415 N/A VAL 606.A N VAL 602.A O no hydrogen 3.137 N/A ARG 607.A N ARG 603.A O no hydrogen 3.199 N/A ARG 607.A NH1 GLU 414.A OE2 no hydrogen 3.372 N/A ARG 607.A NH2 GLU 414.A OE1 no hydrogen 2.787 N/A GLN 608.A N TYR 605.A O no hydrogen 3.179 N/A ASN 610.A ND2 GLN 608.A O no hydrogen 3.549 N/A ILE 612.A N THR 457.A OG1 no hydrogen 2.940 N/A ASN 614.A ND2 GLU 386.A OE2 no hydrogen 3.254 N/A GLN 615.A NE2 ASN 500.A OD1 no hydrogen 3.360 N/A GLN 615.A NE2 SER 619.A OG no hydrogen 3.173 N/A THR 617.A N ASN 614.A OD1 no hydrogen 3.234 N/A LEU 618.A N ASN 614.A O no hydrogen 3.132 N/A SER 619.A N GLN 615.A O no hydrogen 2.868 N/A SER 619.A OG GLN 615.A O no hydrogen 3.121 N/A GLN 620.A N ARG 616.A O no hydrogen 3.024 N/A GLN 620.A NE2 ARG 616.A O no hydrogen 3.492 N/A MET 621.A N THR 617.A O no hydrogen 2.989 N/A SER 622.A N LEU 618.A O no hydrogen 3.068 N/A SER 622.A OG ALA 502.A O no hydrogen 2.760 N/A HIS 623.A N SER 619.A O no hydrogen 3.015 N/A ARG 624.A N GLN 620.A O no hydrogen 3.381 N/A LEU 625.A N SER 622.A O no hydrogen 3.207 N/A GLU 626.A N SER 622.A O no hydrogen 3.202 N/A