Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c51_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLY 1.A O no hydrogen 2.791 N/A GLU 8.A N TYR 5.A O no hydrogen 2.952 N/A GLY 9.A N PRO 6.A O no hydrogen 2.809 N/A GLY 10.A N TYR 5.A O no hydrogen 3.051 N/A GLY 11.A N ASP 14.A OD2 no hydrogen 3.466 N/A TRP 15.A N ASN 12.A O no hydrogen 2.976 N/A TRP 16.A N ASN 12.A O no hydrogen 3.209 N/A ARG 19.A N TRP 16.A O no hydrogen 3.153 N/A ARG 19.A NH2 GLU 680.A OE2 no hydrogen 3.187 N/A LYS 23.A N ASN 21.A OD1 no hydrogen 3.212 N/A VAL 24.A N ASN 21.A O no hydrogen 3.300 N/A LEU 25.A N LEU 22.A O no hydrogen 3.184 N/A HIS 26.A N LYS 23.A O no hydrogen 3.142 N/A GLN 27.A NE2 ASP 171.A OD1 no hydrogen 2.957 N/A ASN 28.A N GLU 169.A OE2 no hydrogen 2.996 N/A ALA 32.A N PRO 29.A O no hydrogen 2.963 N/A ASP 33.A N ALA 30.A O no hydrogen 2.766 N/A MET 35.A N ASP 33.A OD1 no hydrogen 2.745 N/A GLY 36.A N ASP 33.A O no hydrogen 3.443 N/A PHE 39.A N GLY 36.A O no hydrogen 3.207 N/A TYR 41.A OH ASP 140.A OD2 no hydrogen 2.877 N/A GLU 44.A N ASP 40.A O no hydrogen 3.216 N/A GLU 44.A N TYR 41.A O no hydrogen 2.566 N/A VAL 45.A N TYR 41.A O no hydrogen 2.828 N/A ALA 46.A N ALA 42.A O no hydrogen 3.191 N/A THR 47.A N GLU 44.A O no hydrogen 3.145 N/A THR 47.A OG1 GLU 44.A O no hydrogen 3.037 N/A ILE 48.A N VAL 45.A O no hydrogen 3.065 N/A ALA 52.A N ASP 49.A OD1 no hydrogen 2.877 N/A LEU 53.A N ASP 49.A O no hydrogen 3.012 N/A THR 54.A N VAL 50.A O no hydrogen 2.795 N/A THR 54.A OG1 VAL 50.A O no hydrogen 3.052 N/A ARG 55.A N ASP 51.A O no hydrogen 2.716 N/A ASP 56.A N ALA 52.A O no hydrogen 2.775 N/A ILE 57.A N LEU 53.A O no hydrogen 2.965 N/A GLU 58.A N THR 54.A O no hydrogen 2.851 N/A GLU 59.A N ARG 55.A O no hydrogen 2.984 N/A VAL 60.A N ASP 56.A O no hydrogen 3.278 N/A MET 61.A N ILE 57.A O no hydrogen 2.973 N/A THR 62.A N GLU 58.A O no hydrogen 3.251 N/A THR 62.A OG1 GLU 58.A O no hydrogen 3.392 N/A THR 63.A N VAL 60.A O no hydrogen 3.151 N/A THR 63.A OG1 GLU 59.A O no hydrogen 2.626 N/A THR 63.A OG1 GLU 59.A OE2 no hydrogen 3.379 N/A GLN 65.A N TYR 75.A OH no hydrogen 2.744 N/A GLN 65.A NE2 THR 63.A O no hydrogen 3.465 N/A TRP 68.A N GLN 65.A O no hydrogen 2.928 N/A ALA 70.A N SER 64.A OG no hydrogen 3.062 N/A TYR 72.A N PRO 344.A O no hydrogen 2.865 N/A TYR 72.A OH PRO 342.A O no hydrogen 3.055 N/A GLY 73.A N ALA 70.A O no hydrogen 2.820 N/A HIS 74.A N ASP 71.A O no hydrogen 3.053 N/A TYR 75.A N MET 61.A O no hydrogen 2.862 N/A TYR 75.A OH TRP 68.A O no hydrogen 2.838 N/A GLY 76.A N HIS 74.A ND1 no hydrogen 3.021 N/A PHE 79.A N TYR 75.A O no hydrogen 3.007 N/A ILE 80.A N GLY 76.A O no hydrogen 2.747 N/A ARG 81.A N PRO 77.A O no hydrogen 2.866 N/A ARG 81.A NH2 ASP 114.A O no hydrogen 3.210 N/A ARG 81.A NH2 ALA 116.A O no hydrogen 2.747 N/A MET 82.A N LEU 78.A O no hydrogen 2.804 N/A ALA 83.A N PHE 79.A O no hydrogen 2.921 N/A TRP 84.A N ILE 80.A O no hydrogen 2.894 N/A HIS 85.A N ARG 81.A O no hydrogen 2.836 N/A HIS 85.A ND1 ASN 115.A OD1 no hydrogen 2.867 N/A ALA 86.A N MET 82.A O no hydrogen 2.811 N/A ALA 87.A N ALA 83.A O no hydrogen 3.039 N/A GLY 88.A N TRP 84.A O no hydrogen 2.617 N/A TYR 90.A N ALA 87.A O no hydrogen 3.209 N/A TYR 90.A OH ASP 464.A OD2 no hydrogen 2.742 N/A ARG 91.A N ARG 96.A O no hydrogen 3.035 N/A ARG 91.A NE ASP 94.A OD1 no hydrogen 2.961 N/A ARG 91.A NE ASP 94.A OD2 no hydrogen 3.411 N/A ARG 91.A NH1 TYR 174.A O no hydrogen 3.108 N/A ARG 91.A NH2 ASP 94.A OD2 no hydrogen 2.974 N/A ARG 91.A NH2 TYR 174.A O no hydrogen 2.843 N/A ILE 92.A N ARG 231.A O no hydrogen 2.853 N/A GLY 95.A N ARG 91.A O no hydrogen 2.958 N/A ARG 96.A N ASP 94.A OD1 no hydrogen 3.000 N/A ARG 96.A NH1 ASP 94.A OD2 no hydrogen 3.031 N/A ARG 96.A NH2 ASP 589.A OD1 no hydrogen 2.851 N/A GLY 98.A N THR 89.A OG1 no hydrogen 2.830 N/A GLY 100.A N ASP 396.A OD2 no hydrogen 2.948 N/A GLY 102.A N ALA 99.A O no hydrogen 3.209 N/A ARG 105.A N GLY 102.A O no hydrogen 3.440 N/A PHE 106.A N MET 103.A O no hydrogen 2.920 N/A ASN 110.A N PHE 106.A O no hydrogen 2.699 N/A ASN 110.A ND2 ARG 105.A O no hydrogen 3.498 N/A ASN 110.A ND2 GLU 266.A OE2 no hydrogen 3.452 N/A SER 111.A N PRO 108.A O no hydrogen 2.922 N/A SER 111.A OG ASN 110.A OD1 no hydrogen 2.967 N/A TRP 112.A N LEU 109.A O no hydrogen 3.282 N/A ASP 114.A N GLY 203.A O no hydrogen 3.155 N/A ASN 115.A N TRP 112.A O no hydrogen 3.002 N/A ASN 115.A ND2 LEU 109.A O no hydrogen 2.720 N/A ALA 116.A N PRO 113.A O no hydrogen 3.088 N/A SER 117.A OG THR 291.A OG1 no hydrogen 2.696 N/A LEU 118.A N ASN 115.A O no hydrogen 3.125 N/A LYS 120.A NZ ASP 119.A OD1 no hydrogen 3.144 N/A LYS 120.A NZ ASP 119.A OD2 no hydrogen 2.915 N/A LYS 120.A NZ GLY 276.A O no hydrogen 3.112 N/A ALA 121.A N SER 117.A O no hydrogen 3.044 N/A ARG 122.A N LEU 118.A O no hydrogen 2.716 N/A ARG 123.A N ASP 119.A O no hydrogen 3.089 N/A ARG 123.A NH1 MET 273.A O no hydrogen 3.289 N/A ARG 123.A NH2 MET 273.A O no hydrogen 2.759 N/A LEU 124.A N LYS 120.A O no hydrogen 3.041 N/A LEU 124.A N ALA 121.A O no hydrogen 3.149 N/A LEU 125.A N ARG 122.A O no hydrogen 2.990 N/A TRP 126.A N ARG 123.A O no hydrogen 2.983 N/A VAL 128.A N LEU 125.A O no hydrogen 2.814 N/A LYS 129.A N LEU 125.A O no hydrogen 3.210 N/A LYS 129.A NZ GLY 133.A O no hydrogen 3.009 N/A LYS 129.A NZ LEU 136.A O no hydrogen 2.816 N/A LYS 130.A N TRP 126.A O no hydrogen 2.781 N/A LYS 131.A N PRO 127.A O no hydrogen 3.383 N/A LYS 131.A NZ ASP 56.A OD2 no hydrogen 3.318 N/A TYR 132.A N VAL 128.A O no hydrogen 3.038 N/A TYR 132.A N LYS 129.A O no hydrogen 3.091 N/A TYR 132.A OH ASP 56.A OD2 no hydrogen 2.800 N/A GLY 133.A N LYS 129.A O no hydrogen 2.891 N/A LYS 135.A N TYR 132.A O no hydrogen 3.173 N/A LYS 135.A NZ THR 47.A OG1 no hydrogen 2.776 N/A LEU 136.A N GLY 133.A O no hydrogen 3.275 N/A SER 137.A N TYR 41.A OH no hydrogen 2.782 N/A SER 137.A OG TYR 41.A OH no hydrogen 3.252 N/A SER 137.A OG ARG 164.A O no hydrogen 2.666 N/A TRP 138.A N ASP 166.A OD2 no hydrogen 2.564 N/A ALA 139.A N ASP 166.A OD1 no hydrogen 2.903 N/A ASP 140.A N SER 137.A OG no hydrogen 2.847 N/A LEU 141.A N SER 137.A O no hydrogen 2.878 N/A ILE 142.A N TRP 138.A O no hydrogen 3.105 N/A PHE 144.A N ASP 140.A O no hydrogen 2.943 N/A ALA 145.A N LEU 141.A O no hydrogen 2.832 N/A GLY 146.A N ILE 142.A O no hydrogen 3.514 N/A ASN 147.A N VAL 143.A O no hydrogen 3.068 N/A ASN 147.A ND2 THR 157.A OG1 no hydrogen 3.155 N/A CYS 148.A N PHE 144.A O no hydrogen 2.760 N/A CYS 148.A SG PHE 144.A O no hydrogen 3.585 N/A ALA 149.A N ALA 145.A O no hydrogen 2.710 N/A LEU 150.A N GLY 146.A O no hydrogen 3.094 N/A GLU 151.A N ASN 147.A O no hydrogen 3.138 N/A SER 152.A N CYS 148.A O no hydrogen 2.977 N/A SER 152.A OG ALA 149.A O no hydrogen 3.216 N/A MET 153.A N ALA 149.A O no hydrogen 3.106 N/A GLY 154.A N GLU 151.A O no hydrogen 3.039 N/A PHE 155.A N LEU 150.A O no hydrogen 2.887 N/A THR 157.A N GLU 151.A OE1 no hydrogen 2.952 N/A PHE 160.A N LEU 407.A O no hydrogen 3.072 N/A GLY 161.A N HIS 394.A NE2 no hydrogen 2.831 N/A PHE 162.A N LEU 404.A O no hydrogen 3.017 N/A GLY 163.A N ASP 140.A OD2 no hydrogen 2.714 N/A ARG 164.A N ASP 140.A OD1 no hydrogen 2.850 N/A ARG 164.A NH1 ASP 140.A OD1 no hydrogen 2.720 N/A ARG 164.A NH1 GLY 161.A O no hydrogen 2.778 N/A ARG 164.A NH2 GLY 161.A O no hydrogen 3.301 N/A ARG 164.A NH2 ILE 393.A O no hydrogen 3.111 N/A GLU 172.A N GLN 27.A OE1 no hydrogen 2.793 N/A TYR 174.A OH GLU 194.A OE2 no hydrogen 2.984 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.787 N/A LEU 182.A N MET 202.A O no hydrogen 2.805 N/A GLY 183.A N THR 180.A O no hydrogen 3.234 N/A GLU 185.A N GLU 178.A OE2 no hydrogen 2.870 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 3.313 N/A ARG 186.A NE GLU 178.A OE2 no hydrogen 2.814 N/A ARG 186.A NH1 ALA 199.A O no hydrogen 3.276 N/A ARG 186.A NH2 TRP 175.A O no hydrogen 3.364 N/A ARG 186.A NH2 GLU 178.A OE2 no hydrogen 3.346 N/A SER 188.A N ASP 192.A O no hydrogen 3.239 N/A ARG 191.A NE ASP 224.A OD1 no hydrogen 2.963 N/A ASP 192.A N SER 188.A O no hydrogen 2.861 N/A GLU 194.A N ARG 186.A O no hydrogen 2.891 N/A VAL 200.A N TYR 206.A O no hydrogen 3.143 N/A MET 202.A N GLY 183.A O no hydrogen 3.027 N/A ILE 205.A N ASP 114.A OD2 no hydrogen 2.695 N/A GLU 210.A N ASN 208.A OD1 no hydrogen 3.197 N/A GLY 211.A N ASN 208.A O no hydrogen 2.800 N/A GLY 214.A N GLY 211.A O no hydrogen 2.840 N/A ASN 215.A N PRO 212.A O no hydrogen 2.996 N/A ASP 217.A N ASN 215.A O no hydrogen 2.618 N/A ALA 220.A N ASP 217.A OD1 no hydrogen 2.983 N/A ALA 221.A N ASP 217.A O no hydrogen 2.940 N/A ALA 222.A N PRO 218.A O no hydrogen 3.061 N/A VAL 223.A N ALA 220.A O no hydrogen 3.004 N/A ILE 225.A N ALA 221.A O no hydrogen 2.980 N/A ARG 226.A N ALA 222.A O no hydrogen 2.821 N/A ARG 226.A NE ASP 236.A OD1 no hydrogen 2.913 N/A ARG 226.A NH1 ASP 364.A OD2 no hydrogen 3.253 N/A ARG 226.A NH2 ASP 236.A OD1 no hydrogen 3.498 N/A ARG 226.A NH2 ASP 364.A OD1 no hydrogen 3.097 N/A ARG 226.A NH2 ASP 364.A OD2 no hydrogen 3.337 N/A GLU 227.A N VAL 223.A O no hydrogen 3.096 N/A THR 228.A N ASP 224.A O no hydrogen 2.693 N/A THR 228.A OG1 ASP 224.A O no hydrogen 3.345 N/A PHE 229.A N ILE 225.A O no hydrogen 2.937 N/A ARG 230.A N ARG 226.A O no hydrogen 3.101 N/A ARG 230.A NE GLU 227.A OE1 no hydrogen 3.058 N/A ARG 230.A NH2 GLU 227.A OE1 no hydrogen 3.532 N/A ARG 230.A NH2 GLU 227.A OE2 no hydrogen 2.690 N/A ARG 231.A N GLU 227.A O no hydrogen 3.213 N/A ARG 231.A NE GLU 227.A OE2 no hydrogen 2.956 N/A ARG 231.A NH1 LEU 193.A O no hydrogen 3.201 N/A ARG 231.A NH1 GLU 194.A O no hydrogen 3.432 N/A ARG 231.A NH1 LEU 197.A O no hydrogen 2.922 N/A ARG 231.A NH2 LEU 193.A O no hydrogen 2.937 N/A ARG 231.A NH2 GLU 227.A OE2 no hydrogen 3.452 N/A MET 232.A N PHE 229.A O no hydrogen 2.849 N/A ALA 233.A N ARG 230.A O no hydrogen 3.022 N/A MET 234.A N PHE 229.A O no hydrogen 2.947 N/A ASN 235.A N GLU 238.A OE1 no hydrogen 2.848 N/A GLU 238.A N ASN 235.A OD1 no hydrogen 3.234 N/A THR 239.A N ASN 235.A O no hydrogen 2.824 N/A THR 239.A OG1 ASN 235.A O no hydrogen 2.638 N/A ALA 240.A N ASP 236.A O no hydrogen 2.969 N/A ALA 241.A N VAL 237.A O no hydrogen 2.884 N/A LEU 242.A N GLU 238.A O no hydrogen 2.774 N/A ILE 243.A N THR 239.A O no hydrogen 3.107 N/A VAL 244.A N ALA 240.A O no hydrogen 3.005 N/A GLY 245.A N ALA 241.A O no hydrogen 2.768 N/A GLY 246.A N LEU 242.A O no hydrogen 2.743 N/A HIS 247.A N ILE 243.A O no hydrogen 2.758 N/A HIS 247.A ND1 ASP 358.A OD1 no hydrogen 3.183 N/A THR 248.A N GLY 245.A O no hydrogen 3.417 N/A THR 248.A OG1 VAL 244.A O no hydrogen 2.436 N/A THR 248.A OG1 GLY 245.A O no hydrogen 2.983 N/A PHE 249.A N GLY 246.A O no hydrogen 3.165 N/A GLY 250.A N PRO 302.A O no hydrogen 2.881 N/A LYS 251.A NZ THR 252.A O no hydrogen 2.841 N/A LYS 251.A NZ GLU 295.A OE2 no hydrogen 3.359 N/A THR 252.A N VAL 296.A O no hydrogen 2.933 N/A THR 252.A OG1 ILE 294.A O no hydrogen 2.748 N/A THR 252.A OG1 VAL 296.A O no hydrogen 3.478 N/A HIS 253.A NE2 ASP 71.A OD2 no hydrogen 2.732 N/A GLY 254.A N GLU 295.A OE1 no hydrogen 2.789 N/A ALA 255.A N ALA 289.A O no hydrogen 3.370 N/A LEU 260.A N PRO 257.A O no hydrogen 3.248 N/A GLY 262.A N LYS 278.A O no hydrogen 2.546 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 2.354 N/A GLU 266.A N SER 111.A OG no hydrogen 3.009 N/A ALA 267.A N GLU 264.A O no hydrogen 2.866 N/A ALA 268.A N PRO 265.A O no hydrogen 3.135 N/A GLN 272.A N PRO 269.A O no hydrogen 3.185 N/A MET 273.A N LEU 270.A O no hydrogen 3.132 N/A LEU 275.A N GLN 272.A O no hydrogen 3.297 N/A GLY 276.A N ASP 119.A OD2 no hydrogen 3.136 N/A TRP 277.A N PRO 263.A O no hydrogen 2.699 N/A SER 280.A N LEU 260.A O no hydrogen 2.940 N/A SER 280.A OG LEU 260.A O no hydrogen 3.488 N/A THR 283.A N ASP 288.A OD2 no hydrogen 2.941 N/A THR 283.A OG1 THR 285.A O no hydrogen 3.043 N/A THR 283.A OG1 ASP 288.A OD2 no hydrogen 2.634 N/A ASP 288.A N THR 285.A O no hydrogen 3.172 N/A ALA 289.A N GLY 286.A O no hydrogen 2.761 N/A THR 291.A N HIS 253.A O no hydrogen 2.871 N/A THR 291.A OG1 SER 117.A OG no hydrogen 2.696 N/A GLY 293.A N HIS 253.A O no hydrogen 2.903 N/A VAL 296.A N THR 252.A OG1 no hydrogen 2.776 N/A VAL 297.A N THR 353.A OG1 no hydrogen 2.955 N/A TRP 298.A NE1 ASP 358.A OD2 no hydrogen 2.491 N/A THR 299.A OG1 THR 248.A O no hydrogen 3.330 N/A THR 301.A OG1 ASP 306.A OD1 no hydrogen 3.345 N/A THR 301.A OG1 ASP 306.A OD2 no hydrogen 2.525 N/A LYS 304.A N THR 301.A O no hydrogen 3.201 N/A TRP 305.A N MET 153.A O no hydrogen 3.111 N/A SER 308.A N ASP 306.A OD1 no hydrogen 3.017 N/A SER 308.A OG THR 301.A OG1 no hydrogen 3.041 N/A SER 308.A OG ASP 306.A OD1 no hydrogen 2.607 N/A GLU 311.A N ASN 307.A O no hydrogen 3.019 N/A ILE 312.A N SER 308.A O no hydrogen 2.570 N/A LEU 313.A N PHE 309.A O no hydrogen 2.896 N/A TYR 314.A N LEU 310.A O no hydrogen 3.079 N/A TYR 314.A OH THR 371.A OG1 no hydrogen 2.691 N/A GLY 315.A N GLU 311.A O no hydrogen 2.687 N/A TRP 318.A NE1 LEU 313.A O no hydrogen 2.996 N/A GLU 319.A N THR 331.A O no hydrogen 2.812 N/A LYS 322.A NZ GLY 326.A O no hydrogen 3.497 N/A SER 323.A N ALA 327.A O no hydrogen 2.796 N/A SER 323.A OG GLY 293.A O no hydrogen 3.109 N/A SER 323.A OG ALA 327.A O no hydrogen 3.299 N/A GLY 326.A N SER 323.A O no hydrogen 2.596 N/A ALA 327.A N SER 323.A OG no hydrogen 2.463 N/A TRP 328.A N GLU 210.A OE2 no hydrogen 3.002 N/A GLN 329.A N THR 321.A O no hydrogen 3.116 N/A TYR 330.A N MET 354.A O no hydrogen 2.758 N/A TYR 330.A OH PRO 216.A O no hydrogen 2.754 N/A THR 331.A N GLU 319.A O no hydrogen 3.075 N/A THR 331.A OG1 PRO 352.A O no hydrogen 3.106 N/A ALA 332.A N PRO 352.A O no hydrogen 3.203 N/A LYS 333.A N GLU 317.A O no hydrogen 2.689 N/A ALA 336.A N LYS 333.A O no hydrogen 3.050 N/A THR 340.A N GLY 337.A O no hydrogen 3.233 N/A THR 340.A OG1 GLY 337.A O no hydrogen 2.521 N/A ILE 341.A N ARG 350.A O no hydrogen 3.037 N/A PHE 345.A N ASP 343.A OD2 no hydrogen 3.124 N/A GLY 347.A N ASP 343.A OD2 no hydrogen 3.151 N/A ARG 350.A N ILE 341.A O no hydrogen 2.732 N/A ARG 350.A NH1 ASP 343.A OD1 no hydrogen 3.026 N/A ARG 350.A NH2 GLU 295.A OE2 no hydrogen 2.696 N/A MET 354.A N TYR 330.A O no hydrogen 2.999 N/A LEU 355.A N ASP 358.A OD2 no hydrogen 3.108 N/A ASP 358.A N LEU 355.A O no hydrogen 3.014 N/A LEU 359.A N LEU 355.A O no hydrogen 3.312 N/A SER 360.A N ALA 356.A O no hydrogen 3.386 N/A SER 360.A OG PRO 218.A O no hydrogen 3.078 N/A SER 360.A OG ALA 356.A O no hydrogen 3.535 N/A SER 360.A OG THR 357.A O no hydrogen 3.251 N/A LEU 361.A N ASP 358.A O no hydrogen 2.986 N/A ARG 362.A N LEU 359.A O no hydrogen 2.819 N/A ARG 362.A NH1 LEU 313.A O no hydrogen 2.630 N/A ARG 362.A NH1 TYR 316.A O no hydrogen 2.760 N/A ARG 362.A NH2 GLU 317.A OE2 no hydrogen 2.664 N/A VAL 363.A N LEU 359.A O no hydrogen 2.939 N/A ASP 364.A N SER 360.A O no hydrogen 2.809 N/A TYR 367.A N ASP 364.A OD1 no hydrogen 2.907 N/A GLU 368.A N ASP 364.A O no hydrogen 2.828 N/A ARG 369.A N PRO 365.A O no hydrogen 3.069 N/A ILE 370.A N ILE 366.A O no hydrogen 3.250 N/A THR 371.A N TYR 367.A O no hydrogen 2.796 N/A THR 371.A OG1 TYR 314.A OH no hydrogen 2.691 N/A THR 371.A OG1 LEU 361.A O no hydrogen 2.984 N/A THR 371.A OG1 TYR 367.A O no hydrogen 2.669 N/A THR 371.A OG1 GLU 368.A O no hydrogen 3.403 N/A ARG 372.A N GLU 368.A O no hydrogen 2.797 N/A ARG 373.A N ARG 369.A O no hydrogen 3.481 N/A ARG 373.A NE GLU 380.A OE1 no hydrogen 3.103 N/A ARG 373.A NH2 GLU 380.A OE2 no hydrogen 3.255 N/A LEU 375.A N ARG 372.A O no hydrogen 3.118 N/A GLU 376.A N ARG 373.A O no hydrogen 3.228 N/A GLU 379.A N GLU 379.A OE1 no hydrogen 2.818 N/A GLU 380.A N HIS 377.A O no hydrogen 3.037 N/A ALA 382.A N PRO 378.A O no hydrogen 2.984 N/A ASP 383.A N GLU 379.A O no hydrogen 3.208 N/A GLU 384.A N GLU 380.A O no hydrogen 2.958 N/A PHE 385.A N LEU 381.A O no hydrogen 2.695 N/A ALA 386.A N ALA 382.A O no hydrogen 3.291 N/A LYS 387.A N ASP 383.A O no hydrogen 3.338 N/A ALA 388.A N GLU 384.A O no hydrogen 2.848 N/A TRP 389.A N PHE 385.A O no hydrogen 2.927 N/A TRP 389.A NE1 ASN 147.A OD1 no hydrogen 3.105 N/A TYR 390.A N ALA 386.A O no hydrogen 3.263 N/A LYS 391.A N LYS 387.A O no hydrogen 3.211 N/A LYS 391.A NZ ALA 233.A O no hydrogen 2.775 N/A LYS 391.A NZ GLU 238.A OE1 no hydrogen 3.390 N/A LYS 391.A NZ GLU 238.A OE2 no hydrogen 3.389 N/A LEU 392.A N ALA 388.A O no hydrogen 2.609 N/A ILE 393.A N TRP 389.A O no hydrogen 2.989 N/A HIS 394.A N LYS 391.A O no hydrogen 3.048 N/A HIS 394.A ND1 TYR 390.A O no hydrogen 2.871 N/A MET 397.A N HIS 394.A O no hydrogen 3.191 N/A ARG 402.A N PRO 399.A O no hydrogen 3.065 N/A ARG 402.A NH1 MET 397.A O no hydrogen 3.056 N/A TYR 403.A N VAL 400.A O no hydrogen 3.047 N/A LEU 404.A N PHE 162.A O no hydrogen 2.975 N/A LEU 413.A N GLN 416.A OE1 no hydrogen 3.188 N/A GLN 416.A N LEU 413.A O no hydrogen 2.968 N/A GLN 416.A NE2 TYR 403.A OH no hydrogen 3.366 N/A ASP 417.A N LEU 414.A O no hydrogen 2.995 N/A ASP 425.A N ASN 512.A O no hydrogen 3.121 N/A GLY 428.A N GLU 431.A OE1 no hydrogen 3.268 N/A GLU 431.A N GLY 428.A O no hydrogen 3.254 N/A GLU 431.A N GLU 431.A OE1 no hydrogen 2.347 N/A ILE 432.A N GLY 428.A O no hydrogen 3.103 N/A ALA 433.A N GLU 429.A O no hydrogen 3.230 N/A SER 434.A N ALA 430.A O no hydrogen 2.858 N/A LEU 435.A N GLU 431.A O no hydrogen 2.814 N/A LYS 436.A N ILE 432.A O no hydrogen 2.881 N/A LYS 436.A NZ GLU 530.A OE1 no hydrogen 3.422 N/A LYS 436.A NZ GLU 530.A OE2 no hydrogen 2.685 N/A SER 437.A N ALA 433.A O no hydrogen 3.019 N/A GLN 438.A N SER 434.A O no hydrogen 3.097 N/A ILE 439.A N LEU 435.A O no hydrogen 2.841 N/A ILE 439.A N LYS 436.A O no hydrogen 2.931 N/A ARG 440.A N LYS 436.A O no hydrogen 3.089 N/A ALA 441.A N SER 437.A O no hydrogen 3.054 N/A SER 442.A N ILE 439.A O no hydrogen 2.987 N/A SER 442.A OG ILE 439.A O no hydrogen 2.552 N/A GLY 443.A N ARG 440.A O no hydrogen 3.249 N/A LEU 444.A N SER 442.A OG no hydrogen 3.156 N/A THR 445.A N GLN 448.A OE1 no hydrogen 2.505 N/A SER 447.A N GLU 628.A OE2 no hydrogen 3.243 N/A SER 447.A OG GLY 612.A O no hydrogen 2.656 N/A GLN 448.A N THR 445.A OG1 no hydrogen 3.339 N/A GLN 448.A NE2 ASP 490.A OD2 no hydrogen 2.598 N/A LEU 449.A N THR 445.A O no hydrogen 3.052 N/A VAL 450.A N VAL 446.A O no hydrogen 2.938 N/A SER 451.A N SER 447.A O no hydrogen 2.817 N/A SER 451.A OG SER 447.A O no hydrogen 3.063 N/A THR 452.A N GLN 448.A O no hydrogen 3.038 N/A THR 452.A OG1 GLN 448.A O no hydrogen 2.718 N/A ALA 453.A N LEU 449.A O no hydrogen 3.399 N/A TRP 454.A N VAL 450.A O no hydrogen 2.939 N/A TRP 454.A NE1 ASP 569.A OD2 no hydrogen 2.922 N/A ALA 455.A N SER 451.A O no hydrogen 2.970 N/A ALA 456.A N THR 452.A O no hydrogen 2.875 N/A ALA 457.A N ALA 453.A O no hydrogen 2.988 N/A SER 458.A N TRP 454.A O no hydrogen 2.836 N/A SER 458.A OG TRP 454.A O no hydrogen 2.701 N/A SER 459.A N ALA 456.A O no hydrogen 3.384 N/A SER 459.A OG ALA 456.A O no hydrogen 3.017 N/A SER 459.A OG GLY 468.A O no hydrogen 3.392 N/A PHE 460.A N ALA 457.A O no hydrogen 3.339 N/A ARG 461.A N ARG 466.A O no hydrogen 2.936 N/A ARG 461.A NE ASP 464.A OD1 no hydrogen 2.988 N/A ARG 461.A NE ASP 464.A OD2 no hydrogen 3.264 N/A ARG 461.A NH1 ILE 92.A O no hydrogen 3.186 N/A ARG 461.A NH1 HIS 93.A O no hydrogen 3.035 N/A ARG 461.A NH2 ILE 92.A O no hydrogen 3.104 N/A ARG 461.A NH2 ASP 464.A OD2 no hydrogen 2.644 N/A GLY 462.A N LEU 593.A O no hydrogen 2.763 N/A SER 463.A OG ASP 94.A O no hydrogen 2.744 N/A LYS 465.A N ARG 461.A O no hydrogen 2.838 N/A LYS 465.A NZ GLY 462.A O no hydrogen 3.155 N/A ARG 466.A N ASP 464.A OD1 no hydrogen 3.219 N/A ARG 466.A NE ASP 417.A OD2 no hydrogen 3.083 N/A ARG 466.A NH1 SER 560.A O no hydrogen 3.319 N/A ARG 466.A NH2 ASP 417.A OD1 no hydrogen 3.569 N/A ARG 466.A NH2 ASP 417.A OD2 no hydrogen 2.855 N/A GLY 468.A N SER 459.A OG no hydrogen 2.902 N/A ASN 470.A N ASP 712.A OD2 no hydrogen 2.768 N/A GLY 471.A N ASN 470.A OD1 no hydrogen 2.749 N/A ARG 473.A NE THR 556.A OG1 no hydrogen 2.665 N/A ARG 473.A NH2 PRO 418.A O no hydrogen 2.635 N/A ARG 473.A NH2 GLN 555.A O no hydrogen 3.205 N/A ARG 475.A N GLY 472.A O no hydrogen 3.481 N/A ARG 475.A NH1 GLU 499.A OE2 no hydrogen 3.169 N/A LEU 476.A N ARG 473.A O no hydrogen 3.158 N/A GLN 477.A N GLN 553.A OE1 no hydrogen 2.770 N/A VAL 480.A N LEU 476.A O no hydrogen 2.994 N/A GLY 481.A N PRO 478.A O no hydrogen 3.148 N/A TRP 482.A N GLN 479.A O no hydrogen 3.098 N/A GLU 483.A N GLU 565.A OE2 no hydrogen 3.241 N/A ASN 485.A ND2 GLN 479.A O no hydrogen 3.078 N/A ASP 486.A N GLU 483.A O no hydrogen 2.901 N/A GLY 489.A N ASP 486.A OD1 no hydrogen 3.381 N/A ASP 490.A N ASP 490.A OD1 no hydrogen 2.385 N/A VAL 494.A N ASP 490.A O no hydrogen 3.012 N/A ILE 495.A N LEU 491.A O no hydrogen 2.770 N/A ARG 496.A N ARG 492.A O no hydrogen 2.838 N/A THR 497.A N LYS 493.A O no hydrogen 3.052 N/A THR 497.A OG1 LYS 493.A O no hydrogen 2.690 N/A LEU 498.A N VAL 494.A O no hydrogen 3.079 N/A LEU 498.A N ILE 495.A O no hydrogen 2.947 N/A GLU 499.A N ILE 495.A O no hydrogen 2.919 N/A GLU 500.A N ARG 496.A O no hydrogen 3.050 N/A ILE 501.A N THR 497.A O no hydrogen 3.096 N/A GLN 502.A N LEU 498.A O no hydrogen 2.773 N/A GLN 502.A NE2 VAL 515.A O no hydrogen 2.996 N/A GLU 503.A N GLU 499.A O no hydrogen 2.876 N/A SER 504.A N GLU 500.A O no hydrogen 2.925 N/A SER 504.A OG GLU 500.A O no hydrogen 3.137 N/A PHE 505.A N ILE 501.A O no hydrogen 3.109 N/A ASN 506.A N GLN 502.A O no hydrogen 2.910 N/A ASN 506.A ND2 VAL 515.A O no hydrogen 3.534 N/A SER 507.A N GLU 503.A O no hydrogen 3.060 N/A SER 507.A OG GLU 503.A O no hydrogen 3.319 N/A ALA 508.A N SER 504.A O no hydrogen 3.206 N/A ALA 509.A N PHE 505.A O no hydrogen 2.810 N/A ASN 512.A ND2 HIS 424.A ND1 no hydrogen 3.222 N/A LYS 514.A N ASP 425.A O no hydrogen 3.402 N/A LYS 514.A NZ ASN 506.A O no hydrogen 2.846 N/A VAL 515.A N ASN 506.A OD1 no hydrogen 3.173 N/A SER 516.A OG ARG 548.A O no hydrogen 2.628 N/A PHE 517.A N ASP 550.A OD2 no hydrogen 2.957 N/A ALA 518.A N ASP 550.A OD1 no hydrogen 2.778 N/A ASP 519.A N SER 516.A OG no hydrogen 3.221 N/A LEU 520.A N SER 516.A O no hydrogen 3.324 N/A VAL 521.A N PHE 517.A O no hydrogen 3.041 N/A VAL 522.A N ALA 518.A O no hydrogen 3.387 N/A LEU 523.A N ASP 519.A O no hydrogen 2.752 N/A GLY 524.A N LEU 520.A O no hydrogen 2.832 N/A CYS 526.A N VAL 522.A O no hydrogen 3.178 N/A CYS 526.A SG VAL 522.A O no hydrogen 3.455 N/A ALA 527.A N LEU 523.A O no hydrogen 2.832 N/A ALA 528.A N GLY 524.A O no hydrogen 2.872 N/A ILE 529.A N GLY 525.A O no hydrogen 2.789 N/A GLU 530.A N CYS 526.A O no hydrogen 3.061 N/A LYS 531.A N ALA 527.A O no hydrogen 2.888 N/A ALA 532.A N ALA 528.A O no hydrogen 2.819 N/A ALA 533.A N ILE 529.A O no hydrogen 3.071 N/A LYS 534.A N GLU 530.A O no hydrogen 3.330 N/A ALA 535.A N LYS 531.A O no hydrogen 3.070 N/A GLY 537.A N LYS 534.A O no hydrogen 2.538 N/A HIS 538.A N ALA 533.A O no hydrogen 2.916 N/A VAL 542.A N GLU 530.A OE2 no hydrogen 3.050 N/A GLY 547.A N ASP 519.A OD2 no hydrogen 2.561 N/A ARG 548.A N ASP 519.A OD1 no hydrogen 3.055 N/A ARG 548.A NH1 ASP 519.A OD1 no hydrogen 2.818 N/A ARG 548.A NH1 THR 545.A O no hydrogen 3.033 N/A ARG 548.A NH2 MET 709.A O no hydrogen 3.185 N/A THR 549.A N ASN 470.A OD1 no hydrogen 3.136 N/A THR 549.A OG1 PRO 420.A O no hydrogen 2.648 N/A ALA 551.A N GLY 471.A O no hydrogen 2.873 N/A SER 552.A N GLN 555.A OE1 no hydrogen 2.753 N/A SER 552.A OG GLU 554.A OE1 no hydrogen 3.406 N/A SER 552.A OG GLN 555.A OE1 no hydrogen 3.128 N/A GLN 553.A NE2 GLN 477.A O no hydrogen 3.625 N/A GLN 553.A NE2 GLN 553.A O no hydrogen 3.118 N/A GLN 553.A NE2 THR 556.A O no hydrogen 3.347 N/A GLU 554.A N SER 552.A OG no hydrogen 3.123 N/A GLN 555.A N SER 552.A O no hydrogen 3.125 N/A GLN 555.A N SER 552.A OG no hydrogen 3.115 N/A THR 556.A N GLN 553.A O no hydrogen 3.236 N/A THR 556.A OG1 SER 552.A O no hydrogen 3.346 N/A PHE 561.A N ASP 557.A O no hydrogen 3.102 N/A ALA 562.A N GLU 559.A O no hydrogen 3.344 N/A LEU 564.A N PHE 561.A O no hydrogen 2.927 N/A GLU 565.A N ALA 562.A O no hydrogen 3.214 N/A ASP 569.A N TYR 574.A O no hydrogen 2.765 N/A PHE 571.A N ASP 569.A OD1 no hydrogen 2.862 N/A ARG 572.A N ASP 569.A O no hydrogen 2.798 N/A ARG 572.A NE ASP 569.A OD2 no hydrogen 2.920 N/A ARG 572.A NH1 ASN 485.A OD1 no hydrogen 2.789 N/A ARG 572.A NH2 ASP 569.A OD2 no hydrogen 3.121 N/A ASN 573.A N GLY 570.A O no hydrogen 3.141 N/A ASN 573.A ND2 LEU 620.A O no hydrogen 3.350 N/A ASN 573.A ND2 ASP 672.A OD2 no hydrogen 3.116 N/A TYR 574.A N ASP 569.A O no hydrogen 3.087 N/A GLY 576.A N LYS 567.A O no hydrogen 3.143 N/A ASN 579.A ND2 LYS 567.A O no hydrogen 3.017 N/A GLU 584.A N GLU 584.A OE1 no hydrogen 3.073 N/A TYR 585.A N PRO 582.A O no hydrogen 2.883 N/A TYR 585.A OH ASN 18.A O no hydrogen 2.454 N/A MET 586.A N PRO 582.A O no hydrogen 3.402 N/A MET 586.A N ALA 583.A O no hydrogen 3.142 N/A LEU 587.A N ALA 583.A O no hydrogen 3.076 N/A LEU 588.A N GLU 584.A O no hydrogen 3.237 N/A ASP 589.A N TYR 585.A O no hydrogen 2.977 N/A LYS 590.A N MET 586.A O no hydrogen 2.804 N/A LYS 590.A NZ SER 458.A O no hydrogen 3.008 N/A ALA 591.A N LEU 587.A O no hydrogen 2.917 N/A ASN 592.A N LEU 588.A O no hydrogen 2.879 N/A LEU 593.A N ASP 589.A O no hydrogen 2.845 N/A LEU 594.A N LYS 590.A O no hydrogen 2.945 N/A THR 595.A N ASN 592.A O no hydrogen 3.039 N/A THR 595.A OG1 LEU 594.A O no hydrogen 2.787 N/A LEU 596.A N ALA 591.A O no hydrogen 3.206 N/A SER 597.A N GLU 600.A OE1 no hydrogen 3.050 N/A MET 601.A N SER 597.A O no hydrogen 2.704 N/A THR 602.A N ALA 598.A O no hydrogen 2.830 N/A THR 602.A OG1 ALA 598.A O no hydrogen 2.575 N/A VAL 603.A N PRO 599.A O no hydrogen 2.962 N/A LEU 604.A N GLU 600.A O no hydrogen 3.053 N/A VAL 605.A N MET 601.A O no hydrogen 3.097 N/A GLY 606.A N THR 602.A O no hydrogen 3.109 N/A GLY 607.A N VAL 603.A O no hydrogen 2.882 N/A LEU 608.A N LEU 604.A O no hydrogen 2.760 N/A ARG 609.A N VAL 605.A O no hydrogen 3.054 N/A ARG 609.A NE ASP 672.A OD1 no hydrogen 2.692 N/A ARG 609.A NH1 GLY 570.A O no hydrogen 3.100 N/A ARG 609.A NH2 GLY 570.A O no hydrogen 3.027 N/A ARG 609.A NH2 ASP 672.A OD1 no hydrogen 2.749 N/A LEU 611.A N GLY 607.A O no hydrogen 3.072 N/A LEU 611.A N LEU 608.A O no hydrogen 3.147 N/A GLY 612.A N ARG 609.A O no hydrogen 3.012 N/A ALA 613.A N LEU 608.A O no hydrogen 3.093 N/A ASN 614.A ND2 LEU 618.A O no hydrogen 3.397 N/A ASN 614.A ND2 LEU 620.A O no hydrogen 2.973 N/A TYR 615.A N ARG 572.A O no hydrogen 2.847 N/A TYR 615.A OH GLU 483.A OE2 no hydrogen 2.880 N/A ARG 617.A N ASN 614.A O no hydrogen 3.077 N/A LEU 618.A N TYR 615.A O no hydrogen 3.111 N/A GLY 621.A N THR 667.A O no hydrogen 3.076 N/A VAL 622.A N PRO 619.A O no hydrogen 2.751 N/A PHE 623.A N GLY 621.A O no hydrogen 2.736 N/A THR 624.A N VAL 622.A O no hydrogen 2.861 N/A THR 624.A OG1 ASP 633.A OD2 no hydrogen 2.521 N/A ALA 626.A N THR 624.A OG1 no hydrogen 3.290 N/A SER 629.A OG ALA 535.A O no hydrogen 3.408 N/A LEU 630.A N ALA 532.A O no hydrogen 2.920 N/A THR 631.A OG1 ASP 633.A OD2 no hydrogen 2.749 N/A ASN 632.A ND2 TYR 688.A O no hydrogen 2.770 N/A VAL 636.A N ASN 632.A O no hydrogen 3.161 N/A ASN 637.A N ASP 633.A O no hydrogen 2.968 N/A ASN 637.A ND2 PHE 623.A O no hydrogen 3.121 N/A ASN 637.A ND2 ASP 633.A O no hydrogen 3.499 N/A LEU 638.A N PHE 634.A O no hydrogen 2.937 N/A LEU 639.A N PHE 635.A O no hydrogen 3.215 N/A LEU 639.A N VAL 636.A O no hydrogen 3.163 N/A ASP 640.A N ASN 637.A O no hydrogen 3.286 N/A GLY 642.A N ASP 640.A OD1 no hydrogen 2.783 N/A ILE 643.A N ASP 640.A O no hydrogen 3.155 N/A THR 644.A N LYS 658.A O no hydrogen 2.700 N/A GLU 646.A N GLN 656.A O no hydrogen 2.963 N/A SER 648.A N THR 654.A O no hydrogen 2.945 N/A SER 648.A OG THR 654.A OG1 no hydrogen 3.129 N/A ASP 651.A N PRO 649.A O no hydrogen 2.502 N/A THR 654.A N ASP 652.A OD1 no hydrogen 3.331 N/A THR 654.A OG1 SER 648.A OG no hydrogen 3.129 N/A THR 654.A OG1 ASP 652.A OD1 no hydrogen 3.037 N/A GLN 656.A N GLU 646.A O no hydrogen 2.703 N/A GLY 657.A N TRP 666.A O no hydrogen 2.814 N/A LYS 658.A N THR 644.A O no hydrogen 3.036 N/A ASP 659.A N LYS 663.A O no hydrogen 3.342 N/A SER 661.A N ASP 659.A OD1 no hydrogen 3.271 N/A SER 661.A OG ASP 659.A OD1 no hydrogen 3.191 N/A GLY 662.A N ASP 659.A O no hydrogen 3.038 N/A LYS 665.A N GLY 657.A O no hydrogen 2.906 N/A TRP 666.A N GLY 657.A O no hydrogen 3.169 N/A GLY 668.A N TYR 655.A O no hydrogen 3.087 N/A SER 669.A N ASP 672.A OD2 no hydrogen 2.420 N/A SER 669.A OG ASN 573.A OD1 no hydrogen 2.873 N/A SER 669.A OG ASP 672.A OD2 no hydrogen 2.698 N/A ARG 670.A NE GLU 584.A OE1 no hydrogen 2.872 N/A ARG 670.A NH2 GLU 584.A OE2 no hydrogen 2.958 N/A ASP 672.A N SER 669.A OG no hydrogen 3.379 N/A LEU 673.A N SER 669.A O no hydrogen 3.199 N/A VAL 674.A N ARG 670.A O no hydrogen 2.988 N/A GLY 676.A N LEU 673.A O no hydrogen 2.851 N/A SER 677.A N VAL 674.A O no hydrogen 3.089 N/A ASN 678.A N VAL 674.A O no hydrogen 2.886 N/A ARG 682.A N ASN 678.A O no hydrogen 2.781 N/A ARG 682.A NH1 GLY 676.A O no hydrogen 2.315 N/A ALA 683.A N SER 679.A O no hydrogen 3.097 N/A VAL 685.A N LEU 681.A O no hydrogen 2.870 N/A GLU 686.A N ARG 682.A O no hydrogen 2.964 N/A VAL 687.A N LEU 684.A O no hydrogen 2.925 N/A TYR 688.A N LEU 684.A O no hydrogen 3.415 N/A TYR 688.A OH ASP 700.A OD2 no hydrogen 3.330 N/A GLY 689.A N VAL 685.A O no hydrogen 2.750 N/A ALA 693.A N ALA 690.A O no hydrogen 3.396 N/A PHE 697.A N ALA 693.A O no hydrogen 2.892 N/A VAL 698.A N GLN 694.A O no hydrogen 3.143 N/A GLN 699.A N PRO 695.A O no hydrogen 2.890 N/A ASP 700.A N LYS 696.A O no hydrogen 2.964 N/A PHE 701.A N PHE 697.A O no hydrogen 2.796 N/A VAL 702.A N VAL 698.A O no hydrogen 3.046 N/A ALA 703.A N GLN 699.A O no hydrogen 2.935 N/A ALA 704.A N ASP 700.A O no hydrogen 3.079 N/A TRP 705.A N PHE 701.A O no hydrogen 2.862 N/A ASP 706.A N VAL 702.A O no hydrogen 2.726 N/A LYS 707.A N ALA 703.A O no hydrogen 3.047 N/A LYS 707.A NZ THR 595.A O no hydrogen 3.255 N/A LYS 707.A NZ GLU 600.A OE1 no hydrogen 3.015 N/A LYS 707.A NZ GLU 600.A OE2 no hydrogen 3.431 N/A VAL 708.A N ALA 704.A O no hydrogen 3.023 N/A MET 709.A N TRP 705.A O no hydrogen 2.793 N/A ASN 710.A N ASP 706.A O no hydrogen 3.241 N/A ASN 710.A N LYS 707.A O no hydrogen 3.253 N/A LEU 711.A N VAL 708.A O no hydrogen 3.395 N/A ARG 713.A N ASN 710.A O no hydrogen 3.151 N/A ARG 713.A NE ASP 715.A OD1 no hydrogen 3.073 N/A ARG 713.A NH1 THR 545.A O no hydrogen 2.656 N/A ARG 713.A NH2 PRO 546.A O no hydrogen 3.414 N/A ARG 713.A NH2 ASP 715.A OD2 no hydrogen 3.029 N/A PHE 714.A N ASP 712.A O no hydrogen 2.852 N/A VAL 716.A N ARG 713.A O no hydrogen 3.107 N/A ARG 717.A N ARG 713.A O no hydrogen 3.165 N/A ARG 717.A NH1 ASN 710.A O no hydrogen 3.480 N/A ARG 717.A NH2 ASN 710.A O no hydrogen 2.865 N/A