Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nd8_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 LYS 8.A O no hydrogen 2.948 N/A LYS 6.A N GLN 3.A O no hydrogen 2.766 N/A LYS 8.A N GLN 2.A OE1 no hydrogen 2.951 N/A LEU 13.A N ALA 9.A O no hydrogen 2.871 N/A PHE 14.A N SER 10.A O no hydrogen 3.049 N/A LEU 15.A N PRO 12.A O no hydrogen 2.917 N/A ASP 16.A N LEU 13.A O no hydrogen 3.057 N/A GLN 17.A NE2 ASP 21.A OD1 no hydrogen 2.529 N/A LYS 20.A N ASP 16.A O no hydrogen 3.035 N/A ASP 21.A N GLN 17.A O no hydrogen 2.912 N/A MET 22.A N ASP 18.A O no hydrogen 3.028 N/A LEU 23.A N TYR 19.A O no hydrogen 2.838 N/A ALA 24.A N LYS 20.A O no hydrogen 3.037 N/A LYS 25.A N ASP 21.A O no hydrogen 3.045 N/A LYS 26.A N MET 22.A O no hydrogen 3.013 N/A LYS 26.A NZ GLU 31.A OE2 no hydrogen 2.746 N/A ARG 27.A N LEU 23.A O no hydrogen 2.997 N/A ARG 27.A NE ASP 28.A OD1 no hydrogen 2.702 N/A ARG 27.A NH2 ASP 28.A OD1 no hydrogen 3.337 N/A ARG 27.A NH2 ASP 28.A OD2 no hydrogen 3.377 N/A ASP 28.A N ALA 24.A O no hydrogen 2.864 N/A GLY 29.A N LYS 25.A O no hydrogen 2.807 N/A PHE 30.A N LYS 26.A O no hydrogen 3.029 N/A GLU 31.A N ARG 27.A O no hydrogen 3.390 N/A GLN 36.A NE2 ASP 40.A OD1 no hydrogen 2.845 N/A LYS 38.A NZ GLU 41.A OE2 no hydrogen 3.202 N/A ILE 39.A N PRO 35.A O no hydrogen 3.064 N/A ASP 40.A N GLN 36.A O no hydrogen 2.832 N/A GLU 41.A N ASP 37.A O no hydrogen 2.878 N/A VAL 42.A N LYS 38.A O no hydrogen 2.912 N/A PHE 43.A N ILE 39.A O no hydrogen 2.926 N/A GLN 44.A N ASP 40.A O no hydrogen 2.971 N/A TRP 45.A N GLU 41.A O no hydrogen 3.051 N/A TRP 45.A NE1 GLU 50.A OE1 no hydrogen 3.032 N/A THR 46.A N VAL 42.A O no hydrogen 2.971 N/A THR 46.A OG1 PHE 43.A O no hydrogen 2.717 N/A THR 47.A N GLN 44.A O no hydrogen 2.934 N/A THR 47.A OG1 GLN 44.A O no hydrogen 2.584 N/A THR 48.A N TRP 45.A O no hydrogen 3.108 N/A THR 48.A OG1 TRP 45.A O no hydrogen 2.677 N/A TYR 51.A N THR 48.A OG1 no hydrogen 3.038 N/A GLN 52.A N THR 48.A O no hydrogen 2.902 N/A GLU 53.A N LYS 49.A O no hydrogen 2.955 N/A LEU 54.A N GLU 50.A O no hydrogen 3.357 N/A ASN 55.A N TYR 51.A O no hydrogen 2.878 N/A ASN 55.A ND2 TRP 427.A O no hydrogen 2.939 N/A ASN 55.A ND2 SER 431.A OG no hydrogen 3.024 N/A PHE 56.A N GLN 52.A O no hydrogen 2.908 N/A GLN 57.A N LEU 54.A O no hydrogen 3.029 N/A ARG 58.A N ASN 55.A O no hydrogen 3.276 N/A ARG 58.A NE ASN 55.A O no hydrogen 3.287 N/A ARG 58.A NE ASN 55.A OD1 no hydrogen 2.885 N/A ARG 58.A NH1 LEU 61.A O no hydrogen 2.996 N/A ARG 58.A NH1 ASP 425.A OD2 no hydrogen 2.859 N/A ARG 58.A NH2 ASN 55.A OD1 no hydrogen 2.795 N/A ARG 58.A NH2 ASP 425.A OD1 no hydrogen 2.904 N/A ARG 58.A NH2 ASP 425.A OD2 no hydrogen 3.537 N/A VAL 63.A N ASP 425.A OD2 no hydrogen 2.978 N/A ALA 66.A N HIS 395.A ND1 no hydrogen 3.081 N/A ALA 68.A N HIS 192.A ND1 no hydrogen 3.096 N/A GLN 70.A NE2 VAL 189.A O no hydrogen 2.851 N/A LEU 72.A N CYS 69.A O no hydrogen 3.239 N/A ALA 74.A N GLN 70.A O no hydrogen 3.261 N/A VAL 75.A N PRO 71.A O no hydrogen 2.858 N/A LEU 76.A N LEU 72.A O no hydrogen 3.252 N/A CYS 77.A N GLY 73.A O no hydrogen 2.986 N/A CYS 77.A SG TRP 196.A O no hydrogen 4.036 N/A ALA 78.A N ALA 74.A O no hydrogen 2.930 N/A LEU 79.A N VAL 75.A O no hydrogen 2.952 N/A GLY 80.A N CYS 77.A O no hydrogen 3.024 N/A PHE 81.A N ALA 78.A O no hydrogen 3.275 N/A GLU 82.A N THR 275.A O no hydrogen 2.786 N/A THR 84.A OG1 GLU 82.A O no hydrogen 2.921 N/A MET 85.A N MET 145.A O no hydrogen 2.964 N/A TYR 87.A N ALA 147.A O no hydrogen 2.946 N/A TYR 87.A OH ASP 115.A OD2 no hydrogen 3.019 N/A VAL 88.A N VAL 113.A O no hydrogen 3.016 N/A HIS 89.A N SER 149.A O no hydrogen 2.661 N/A HIS 89.A ND1 ASP 115.A OD2 no hydrogen 2.410 N/A HIS 89.A NE2 ASP 159.A OD2 no hydrogen 2.563 N/A GLY 90.A N ASP 115.A OD1 no hydrogen 2.885 N/A SER 91.A N THR 151.A OG1 no hydrogen 3.189 N/A CYS 94.A SG SER 91.A O no hydrogen 3.710 N/A ALA 96.A N GLN 92.A O no hydrogen 3.196 N/A TYR 97.A N GLY 93.A O no hydrogen 3.304 N/A PHE 98.A N CYS 94.A O no hydrogen 2.863 N/A ARG 99.A N VAL 95.A O no hydrogen 3.058 N/A ARG 99.A NE VAL 110.A O no hydrogen 2.804 N/A SER 100.A N.A ALA 96.A O no hydrogen 2.993 N/A SER 100.A N.B ALA 96.A O no hydrogen 3.019 N/A SER 100.A OG.A ALA 96.A O no hydrogen 2.938 N/A SER 100.A OG.B ALA 96.A O no hydrogen 3.167 N/A SER 100.A OG.B TYR 97.A O no hydrogen 3.332 N/A TYR 101.A N TYR 97.A O no hydrogen 2.860 N/A TYR 101.A OH TYR 446.A OH no hydrogen 2.645 N/A PHE 102.A N PHE 98.A O no hydrogen 3.066 N/A ASN 103.A N ARG 99.A O no hydrogen 2.700 N/A ASN 103.A ND2 GLU 108.A O no hydrogen 2.978 N/A ARG 104.A N SER 100.A O.A no hydrogen 3.054 N/A ARG 104.A N SER 100.A O.B no hydrogen 3.043 N/A HIS 105.A NE2 THR 231.A O no hydrogen 3.086 N/A PHE 106.A N PHE 102.A O no hydrogen 3.026 N/A ARG 107.A NH2 ARG 475.A O no hydrogen 2.956 N/A CYS 112.A SG PRO 86.A O no hydrogen 3.781 N/A CYS 112.A SG VAL 113.A O no hydrogen 3.893 N/A VAL 113.A N PRO 86.A O no hydrogen 3.088 N/A SER 116.A N SER 114.A OG no hydrogen 2.958 N/A SER 116.A OG GLN 92.A OE1 no hydrogen 2.576 N/A MET 117.A N GLY 90.A O no hydrogen 2.908 N/A ALA 121.A N THR 118.A O no hydrogen 2.977 N/A ALA 122.A N GLU 119.A O no hydrogen 3.082 N/A VAL 123.A N ASP 120.A O no hydrogen 3.006 N/A GLY 125.A N ALA 121.A O no hydrogen 2.569 N/A GLY 126.A N ASP 159.A OD1 no hydrogen 3.088 N/A GLY 126.A N ASP 159.A OD2 no hydrogen 3.070 N/A GLN 127.A NE2 GLN 127.A O no hydrogen 3.250 N/A GLN 127.A NE2 PHE 164.A O no hydrogen 2.907 N/A GLN 128.A NE2 ASP 132.A OD1 no hydrogen 3.542 N/A GLN 128.A NE2 ASP 132.A OD2 no hydrogen 2.824 N/A ASN 129.A ND2 ASP 115.A O no hydrogen 2.885 N/A MET 130.A N GLY 126.A O no hydrogen 2.985 N/A LYS 131.A N GLN 127.A O no hydrogen 2.979 N/A ASP 132.A N GLN 128.A O no hydrogen 2.924 N/A GLY 133.A N ASN 129.A O no hydrogen 2.697 N/A LEU 134.A N MET 130.A O no hydrogen 3.043 N/A GLN 135.A N LYS 131.A O no hydrogen 3.287 N/A ASN 136.A N ASP 132.A O no hydrogen 2.844 N/A CYS 137.A N GLY 133.A O no hydrogen 2.825 N/A LYS 138.A N LEU 134.A O no hydrogen 2.929 N/A ALA 139.A N GLN 135.A O no hydrogen 3.197 N/A THR 140.A N ASN 136.A O no hydrogen 2.977 N/A THR 140.A OG1 ASN 136.A O no hydrogen 2.883 N/A TYR 141.A N CYS 137.A O no hydrogen 2.933 N/A LYS 142.A N LYS 138.A O no hydrogen 3.149 N/A LYS 142.A NZ ALA 139.A O no hydrogen 2.677 N/A ASP 144.A N LYS 83.A O no hydrogen 2.689 N/A ILE 146.A N PRO 179.A O no hydrogen 3.151 N/A ALA 147.A N MET 85.A O no hydrogen 3.205 N/A VAL 148.A N PRO 181.A O no hydrogen 2.907 N/A SER 149.A N TYR 87.A O no hydrogen 2.803 N/A THR 150.A N THR 185.A OG1 no hydrogen 2.989 N/A THR 150.A OG1 GLU 155.A OE2 no hydrogen 2.702 N/A THR 151.A N HIS 89.A O no hydrogen 3.080 N/A GLU 155.A N THR 151.A O no hydrogen 3.219 N/A VAL 156.A N CYS 152.A O no hydrogen 2.865 N/A ILE 157.A N MET 153.A O no hydrogen 3.039 N/A GLY 158.A N ALA 154.A O no hydrogen 3.009 N/A ASP 159.A N ALA 154.A O no hydrogen 3.283 N/A ALA 163.A N ASP 160.A OD1 no hydrogen 3.378 N/A PHE 164.A N ASP 160.A O no hydrogen 3.007 N/A ILE 165.A N LEU 161.A O no hydrogen 3.041 N/A ASN 166.A N ASN 162.A O no hydrogen 3.102 N/A ASN 166.A ND2 ASN 162.A OD1 no hydrogen 3.510 N/A ASN 167.A N ALA 163.A O no hydrogen 2.876 N/A ASN 167.A ND2 GLN 127.A OE1 no hydrogen 2.957 N/A SER 168.A N PHE 164.A O no hydrogen 3.113 N/A SER 168.A OG PHE 164.A O no hydrogen 2.849 N/A LYS 169.A N ILE 165.A O no hydrogen 3.096 N/A LYS 169.A NZ ASP 176.A O no hydrogen 2.723 N/A LYS 169.A NZ PHE 178.A O no hydrogen 2.761 N/A LYS 169.A NZ TYR 206.A OH no hydrogen 3.074 N/A LYS 170.A N ASN 166.A O no hydrogen 2.882 N/A GLU 171.A N ASN 167.A O no hydrogen 2.873 N/A GLY 172.A N LYS 169.A O no hydrogen 3.210 N/A PHE 173.A N SER 168.A O no hydrogen 2.879 N/A PHE 178.A N PRO 175.A O no hydrogen 3.204 N/A VAL 180.A N TYR 206.A OH no hydrogen 3.443 N/A ALA 183.A N VAL 148.A O no hydrogen 2.849 N/A HIS 184.A ND1 GLU 155.A OE2 no hydrogen 2.900 N/A THR 185.A N THR 150.A OG1 no hydrogen 2.888 N/A THR 185.A OG1 THR 150.A O no hydrogen 2.945 N/A VAL 189.A N PRO 186.A O no hydrogen 3.022 N/A SER 191.A N THR 194.A OG1 no hydrogen 2.987 N/A HIS 192.A N ALA 68.A O no hydrogen 2.836 N/A HIS 192.A NE2 ASP 371.A OD2 no hydrogen 2.958 N/A THR 194.A OG1 SER 191.A O no hydrogen 3.286 N/A GLY 195.A N SER 191.A O no hydrogen 3.234 N/A TRP 196.A N HIS 192.A O no hydrogen 3.164 N/A ASP 197.A N VAL 193.A O no hydrogen 2.977 N/A ASN 198.A N THR 194.A O no hydrogen 2.798 N/A ASN 198.A ND2 GLN 70.A OE1 no hydrogen 2.809 N/A MET 199.A N GLY 195.A O no hydrogen 2.872 N/A PHE 200.A N TRP 196.A O no hydrogen 2.962 N/A GLU 201.A N ASP 197.A O no hydrogen 3.069 N/A GLY 202.A N ASN 198.A O no hydrogen 3.061 N/A ILE 203.A N MET 199.A O no hydrogen 2.960 N/A ALA 204.A N PHE 200.A O no hydrogen 2.814 N/A ARG 205.A N GLU 201.A O no hydrogen 2.686 N/A ARG 205.A NE GLU 201.A OE1 no hydrogen 3.430 N/A ARG 205.A NH2 GLU 201.A OE2 no hydrogen 3.202 N/A TYR 206.A N GLY 202.A O no hydrogen 3.083 N/A PHE 207.A N ILE 203.A O no hydrogen 3.395 N/A THR 208.A N ARG 205.A O no hydrogen 3.308 N/A THR 208.A OG1 ALA 204.A O no hydrogen 2.769 N/A LEU 209.A N ARG 205.A O no hydrogen 2.964 N/A SER 211.A N THR 208.A O no hydrogen 3.072 N/A LYS 215.A N MET 212.A O no hydrogen 3.050 N/A LYS 215.A NZ SER 211.A O no hydrogen 2.869 N/A LYS 215.A NZ ASP 214.A OD1 no hydrogen 2.967 N/A VAL 216.A N ASN 285.A OD1 no hydrogen 2.833 N/A GLY 218.A N ALA 286.A O no hydrogen 2.976 N/A SER 219.A N VAL 216.A O no hydrogen 3.146 N/A SER 219.A OG VAL 216.A O no hydrogen 2.894 N/A ASN 220.A N ASN 285.A O no hydrogen 2.874 N/A ASN 220.A ND2 ASP 282.A OD2 no hydrogen 3.104 N/A LYS 221.A N GLY 218.A O no hydrogen 2.841 N/A LYS 222.A N ASN 220.A OD1 no hydrogen 2.852 N/A ILE 223.A N GLY 249.A O no hydrogen 2.744 N/A ASN 224.A N ASN 288.A O no hydrogen 2.971 N/A ASN 224.A ND2 ALA 283.A O no hydrogen 2.913 N/A ASN 224.A ND2 THR 289.A OG1 no hydrogen 2.986 N/A ILE 225.A N SER 251.A O no hydrogen 3.021 N/A VAL 226.A N VAL 290.A O no hydrogen 2.918 N/A PHE 229.A N HIS 296.A NE2 no hydrogen 3.001 N/A TYR 232.A N GLU 230.A OE2 no hydrogen 3.141 N/A LEU 233.A N HIS 479.A O no hydrogen 2.956 N/A ASN 235.A N TYR 232.A O no hydrogen 3.045 N/A ASN 235.A ND2 GLU 230.A OE2 no hydrogen 2.627 N/A ASN 235.A ND2 THR 483.A OG1 no hydrogen 2.985 N/A ARG 237.A N LEU 233.A O no hydrogen 3.158 N/A ARG 237.A NE GLU 257.A OE1 no hydrogen 2.686 N/A ARG 237.A NH1 ASP 261.A OD2 no hydrogen 3.171 N/A ARG 237.A NH2 GLU 257.A OE1 no hydrogen 3.049 N/A ARG 237.A NH2 ASP 261.A OD2 no hydrogen 2.802 N/A VAL 238.A N GLY 234.A O no hydrogen 2.707 N/A ILE 239.A N ASN 235.A O no hydrogen 3.378 N/A LYS 240.A N PHE 236.A O no hydrogen 3.299 N/A LYS 240.A NZ ASP 255.A OD2 no hydrogen 2.677 N/A LYS 240.A NZ GLU 257.A OE2 no hydrogen 2.925 N/A ARG 241.A N ARG 237.A O no hydrogen 3.027 N/A ARG 241.A NH1 GLU 245.A OE2 no hydrogen 3.345 N/A ARG 241.A NH1 GLU 346.A OE1 no hydrogen 2.757 N/A ARG 241.A NH2 GLU 346.A OE2 no hydrogen 3.094 N/A ARG 241.A NH2 GLU 487.A OE1 no hydrogen 2.918 N/A MET 242.A N VAL 238.A O no hydrogen 2.983 N/A LEU 243.A N ILE 239.A O no hydrogen 3.119 N/A SER 244.A N LYS 240.A O no hydrogen 2.948 N/A SER 244.A OG LYS 240.A O no hydrogen 2.968 N/A GLU 245.A N ARG 241.A O no hydrogen 2.833 N/A MET 246.A N MET 242.A O no hydrogen 3.033 N/A GLY 247.A N SER 244.A O no hydrogen 2.960 N/A VAL 248.A N LEU 243.A O no hydrogen 2.938 N/A SER 251.A N ILE 223.A O no hydrogen 2.897 N/A LEU 253.A N ILE 225.A O no hydrogen 2.984 N/A SER 254.A N THR 275.A OG1 no hydrogen 2.855 N/A SER 254.A OG CYS 77.A O no hydrogen 2.757 N/A ASP 255.A N GLY 80.A O no hydrogen 2.763 N/A GLU 257.A N ASP 255.A OD1 no hydrogen 3.278 N/A LEU 260.A N PRO 256.A O no hydrogen 2.980 N/A ASP 261.A N GLU 258.A O no hydrogen 3.060 N/A GLN 267.A N ASP 265.A OD1 no hydrogen 3.344 N/A ARG 269.A NH1 ASP 265.A OD1 no hydrogen 2.960 N/A ARG 269.A NH1 ASP 265.A OD2 no hydrogen 3.352 N/A ARG 269.A NH2 ASP 265.A OD2 no hydrogen 2.892 N/A TYR 271.A OH TYR 141.A O no hydrogen 2.755 N/A THR 275.A N GLY 80.A O no hydrogen 2.870 N/A THR 275.A OG1 GLY 80.A O no hydrogen 3.328 N/A THR 275.A OG1 LEU 252.A O no hydrogen 2.688 N/A THR 276.A N GLU 279.A OE2 no hydrogen 2.948 N/A GLN 277.A NE2 ASP 144.A O no hydrogen 3.256 N/A GLU 279.A N THR 276.A OG1 no hydrogen 2.917 N/A MET 280.A N THR 276.A O no hydrogen 3.318 N/A LYS 281.A N GLN 277.A O no hydrogen 2.872 N/A ASP 282.A N GLU 278.A O no hydrogen 2.935 N/A ALA 283.A N MET 280.A O no hydrogen 3.387 N/A ASN 285.A N ASP 282.A O no hydrogen 2.977 N/A ASN 285.A ND2 ASP 282.A OD1 no hydrogen 2.810 N/A ALA 286.A N ALA 283.A O no hydrogen 3.008 N/A LEU 287.A N LYS 222.A O no hydrogen 2.706 N/A ASN 288.A ND2 GLU 311.A O no hydrogen 2.982 N/A THR 289.A N ASN 288.A OD1 no hydrogen 2.748 N/A THR 289.A OG1 HIS 310.A ND1 no hydrogen 2.735 N/A VAL 290.A N ASN 224.A O no hydrogen 2.679 N/A LEU 292.A N VAL 226.A O no hydrogen 2.936 N/A GLN 293.A NE2 PRO 227.A O no hydrogen 2.775 N/A GLN 293.A NE2 PHE 229.A O no hydrogen 2.904 N/A TRP 295.A N ASP 373.A OD2 no hydrogen 3.066 N/A HIS 296.A N GLN 293.A O no hydrogen 3.193 N/A LEU 297.A N PRO 294.A O no hydrogen 3.084 N/A LYS 299.A N ASP 197.A OD2 no hydrogen 2.808 N/A LYS 299.A NZ ASN 198.A OD1 no hydrogen 3.046 N/A THR 300.A N ASP 197.A OD1 no hydrogen 2.882 N/A THR 300.A OG1 ASP 197.A O no hydrogen 3.508 N/A THR 300.A OG1 ASP 197.A OD1 no hydrogen 2.762 N/A LYS 301.A N LEU 297.A O no hydrogen 2.954 N/A LYS 302.A N GLU 298.A O no hydrogen 3.207 N/A PHE 303.A N LYS 299.A O no hydrogen 3.239 N/A VAL 304.A N THR 300.A O no hydrogen 2.945 N/A GLU 305.A N LYS 301.A O no hydrogen 2.862 N/A GLY 306.A N LYS 302.A O no hydrogen 2.821 N/A THR 307.A N PHE 303.A O no hydrogen 2.689 N/A TRP 308.A NE1 THR 208.A OG1 no hydrogen 2.928 N/A LYS 309.A NZ GLY 306.A O no hydrogen 3.254 N/A HIS 310.A N VAL 304.A O no hydrogen 3.308 N/A HIS 310.A ND1 THR 289.A OG1 no hydrogen 2.735 N/A HIS 310.A NE2 PRO 284.A O no hydrogen 2.982 N/A MET 319.A N ILE 317.A O no hydrogen 2.875 N/A LEU 321.A N GLU 384.A OE1 no hydrogen 2.752 N/A ASP 322.A N GLU 384.A OE2 no hydrogen 3.019 N/A THR 324.A OG1 GLY 320.A O no hydrogen 2.675 N/A ASP 325.A N LEU 321.A O no hydrogen 2.998 N/A GLU 326.A N ASP 322.A O no hydrogen 2.913 N/A PHE 327.A N TRP 323.A O no hydrogen 2.967 N/A LEU 328.A N THR 324.A O no hydrogen 2.950 N/A MET 329.A N ASP 325.A O no hydrogen 2.918 N/A LYS 330.A N GLU 326.A O no hydrogen 2.979 N/A LYS 330.A NZ GLU 333.A OE1 no hydrogen 3.331 N/A LYS 330.A NZ GLU 333.A OE2 no hydrogen 3.228 N/A VAL 331.A N PHE 327.A O no hydrogen 3.059 N/A SER 332.A N LEU 328.A O no hydrogen 2.932 N/A SER 332.A OG GLN 337.A O no hydrogen 2.497 N/A GLU 333.A N MET 329.A O no hydrogen 2.940 N/A ILE 334.A N LYS 330.A O no hydrogen 2.925 N/A SER 335.A N VAL 331.A O no hydrogen 2.993 N/A SER 335.A OG VAL 331.A O no hydrogen 2.747 N/A GLY 336.A N SER 332.A O no hydrogen 2.905 N/A GLN 337.A N SER 335.A OG no hydrogen 3.156 N/A GLN 337.A NE2 MET 246.A O no hydrogen 3.115 N/A SER 342.A OG GLU 245.A OE1 no hydrogen 2.750 N/A THR 344.A N PRO 340.A O no hydrogen 3.186 N/A THR 344.A OG1 PRO 340.A O no hydrogen 3.215 N/A LYS 345.A N ALA 341.A O no hydrogen 2.894 N/A GLU 346.A N SER 342.A O no hydrogen 3.069 N/A ARG 347.A N LEU 343.A O no hydrogen 2.927 N/A ARG 347.A NE ASP 325.A OD1 no hydrogen 2.792 N/A ARG 347.A NE ASP 325.A OD2 no hydrogen 3.158 N/A ARG 347.A NH2 ASP 325.A OD2 no hydrogen 2.907 N/A GLY 348.A N THR 344.A O no hydrogen 3.013 N/A ARG 349.A N LYS 345.A O no hydrogen 2.822 N/A LEU 350.A N GLU 346.A O no hydrogen 3.021 N/A VAL 351.A N ARG 347.A O no hydrogen 2.942 N/A ASP 352.A N GLY 348.A O no hydrogen 2.827 N/A MET 353.A N ARG 349.A O no hydrogen 3.070 N/A MET 354.A N LEU 350.A O no hydrogen 2.971 N/A THR 355.A N VAL 351.A O no hydrogen 3.090 N/A THR 355.A OG1 ASP 352.A O no hydrogen 2.737 N/A ASP 356.A N ASP 352.A O no hydrogen 2.929 N/A SER 357.A N MET 353.A O no hydrogen 3.122 N/A SER 357.A N MET 354.A O no hydrogen 3.384 N/A SER 357.A OG MET 353.A O no hydrogen 3.378 N/A HIS 358.A ND1 THR 355.A O no hydrogen 2.917 N/A TRP 360.A N SER 357.A O no hydrogen 3.250 N/A TRP 360.A NE1 ARG 522.A O no hydrogen 2.861 N/A LEU 361.A N SER 357.A O no hydrogen 3.276 N/A HIS 362.A N HIS 358.A O no hydrogen 2.940 N/A HIS 362.A NE2 TYR 414.A OH no hydrogen 3.065 N/A GLY 363.A N GLY 386.A O no hydrogen 2.747 N/A LYS 364.A N LEU 361.A O no hydrogen 3.087 N/A LYS 364.A NZ TRP 360.A O no hydrogen 2.949 N/A ARG 365.A N ASP 439.A OD2 no hydrogen 2.521 N/A ARG 365.A NE LYS 437.A O no hydrogen 3.429 N/A ARG 365.A NH2 ASP 436.A OD1 no hydrogen 2.721 N/A ARG 365.A NH2 LYS 437.A O no hydrogen 2.915 N/A PHE 366.A N GLU 388.A O no hydrogen 2.993 N/A ALA 367.A N PHE 440.A O no hydrogen 3.034 N/A LEU 368.A N HIS 391.A O no hydrogen 2.815 N/A TRP 369.A N ILE 442.A O no hydrogen 3.300 N/A TRP 369.A NE1 ASN 444.A OD1 no hydrogen 3.197 N/A VAL 375.A N ASP 371.A O no hydrogen 2.922 N/A MET 376.A N PRO 372.A O no hydrogen 3.035 N/A GLY 377.A N ASP 373.A O no hydrogen 3.112 N/A LEU 378.A N PHE 374.A O no hydrogen 3.015 N/A VAL 379.A N VAL 375.A O no hydrogen 2.864 N/A LYS 380.A N MET 376.A O no hydrogen 2.865 N/A LYS 380.A NZ ASP 322.A OD2 no hydrogen 2.980 N/A PHE 381.A N GLY 377.A O no hydrogen 2.852 N/A LEU 382.A N LEU 378.A O no hydrogen 2.897 N/A LEU 383.A N VAL 379.A O no hydrogen 2.987 N/A GLU 384.A N LYS 380.A O no hydrogen 3.112 N/A LEU 385.A N LEU 382.A O no hydrogen 2.983 N/A GLY 386.A N LEU 383.A O no hydrogen 3.125 N/A CYS 387.A N LEU 382.A O no hydrogen 2.958 N/A CYS 387.A SG LEU 361.A O no hydrogen 3.490 N/A GLU 388.A N LYS 364.A O no hydrogen 2.881 N/A VAL 390.A N GLU 388.A O no hydrogen 2.979 N/A HIS 391.A N PHE 366.A O no hydrogen 3.205 N/A HIS 391.A NE2 ASP 436.A O no hydrogen 2.790 N/A ILE 392.A N THR 419.A O no hydrogen 2.961 N/A LEU 393.A N LEU 368.A O no hydrogen 2.954 N/A CYS 394.A N TYR 421.A O no hydrogen 2.844 N/A CYS 394.A SG GLY 370.A O no hydrogen 3.498 N/A CYS 394.A SG ASN 396.A OD1 no hydrogen 3.430 N/A ASN 396.A ND2 SER 191.A OG no hydrogen 3.088 N/A ASN 396.A ND2 ASP 371.A OD1 no hydrogen 3.007 N/A GLY 397.A N CYS 394.A O no hydrogen 2.987 N/A ARG 400.A NH1 GLU 298.A OE2 no hydrogen 2.622 N/A TRP 401.A N ASN 398.A OD1 no hydrogen 3.008 N/A TRP 401.A NE1 PRO 372.A O no hydrogen 2.909 N/A LYS 402.A N ASN 398.A O no hydrogen 2.928 N/A LYS 402.A NZ ASP 406.A OD2 no hydrogen 2.803 N/A LYS 402.A NZ VAL 420.A O no hydrogen 3.380 N/A LYS 403.A N LYS 399.A O no hydrogen 3.042 N/A ALA 404.A N ARG 400.A O no hydrogen 3.103 N/A VAL 405.A N TRP 401.A O no hydrogen 3.003 N/A ASP 406.A N LYS 402.A O no hydrogen 2.854 N/A ALA 407.A N LYS 403.A O no hydrogen 2.882 N/A ILE 408.A N ALA 404.A O no hydrogen 3.055 N/A LEU 409.A N VAL 405.A O no hydrogen 2.882 N/A ALA 410.A N ASP 406.A O no hydrogen 3.036 N/A SER 412.A N LEU 409.A O no hydrogen 3.285 N/A TYR 414.A N SER 412.A OG no hydrogen 3.056 N/A TYR 414.A OH HIS 362.A NE2 no hydrogen 3.065 N/A GLY 415.A N SER 412.A O no hydrogen 3.043 N/A ASN 417.A ND2 GLU 388.A OE1 no hydrogen 2.673 N/A ALA 418.A N GLY 415.A O no hydrogen 3.260 N/A THR 419.A N VAL 390.A O no hydrogen 2.904 N/A TYR 421.A N ILE 392.A O no hydrogen 2.662 N/A LYS 424.A NZ ILE 422.A O no hydrogen 3.161 N/A ASP 425.A N HIS 428.A ND1 no hydrogen 3.126 N/A LEU 426.A N ASN 64.A O no hydrogen 2.994 N/A TRP 427.A N VAL 63.A O no hydrogen 3.412 N/A TRP 427.A N ASP 425.A OD1 no hydrogen 2.956 N/A TRP 427.A NE1 TYR 51.A OH no hydrogen 2.996 N/A HIS 428.A N ASP 425.A OD1 no hydrogen 3.050 N/A LEU 429.A N ASP 425.A O no hydrogen 3.055 N/A ARG 430.A N LEU 426.A O no hydrogen 3.042 N/A ARG 430.A NE ASP 453.A OD2 no hydrogen 2.846 N/A ARG 430.A NH1 THR 46.A O no hydrogen 3.110 N/A ARG 430.A NH2 THR 46.A OG1 no hydrogen 2.920 N/A LEU 432.A N HIS 428.A O no hydrogen 3.243 N/A VAL 433.A N LEU 429.A O no hydrogen 2.933 N/A PHE 434.A N ARG 430.A O no hydrogen 3.141 N/A THR 435.A N SER 431.A O no hydrogen 2.958 N/A THR 435.A OG1 GLN 52.A OE1 no hydrogen 2.555 N/A THR 435.A OG1 SER 431.A O no hydrogen 3.118 N/A ASP 436.A N LEU 432.A O no hydrogen 2.874 N/A LYS 437.A NZ PRO 438.A O no hydrogen 3.061 N/A ASP 439.A N ARG 365.A O no hydrogen 2.713 N/A PHE 440.A N ARG 365.A O no hydrogen 3.133 N/A MET 441.A N PRO 464.A O no hydrogen 2.978 N/A ILE 442.A N ALA 367.A O no hydrogen 2.732 N/A GLY 443.A N ILE 466.A O no hydrogen 3.079 N/A ASN 444.A ND2 PHE 470.A O no hydrogen 2.895 N/A SER 445.A N PRO 471.A O no hydrogen 2.998 N/A SER 445.A OG PRO 471.A O no hydrogen 3.501 N/A SER 445.A OG ASP 474.A OD1 no hydrogen 2.897 N/A TYR 446.A N ASN 444.A OD1 no hydrogen 3.222 N/A TYR 446.A OH TYR 101.A OH no hydrogen 2.645 N/A GLY 447.A N ASN 444.A O no hydrogen 3.115 N/A LYS 448.A N SER 445.A O no hydrogen 2.957 N/A LYS 448.A NZ ASP 474.A OD2 no hydrogen 2.869 N/A PHE 449.A N TYR 446.A O no hydrogen 3.199 N/A GLN 451.A N GLY 447.A O no hydrogen 3.150 N/A GLN 451.A NE2 GLU 462.A OE2 no hydrogen 2.652 N/A ARG 452.A N LYS 448.A O no hydrogen 3.007 N/A ARG 452.A NE ASP 453.A OD1 no hydrogen 3.117 N/A ARG 452.A NH2 ASP 453.A OD1 no hydrogen 3.031 N/A ASP 453.A N PHE 449.A O no hydrogen 3.121 N/A THR 454.A N ILE 450.A O no hydrogen 2.986 N/A THR 454.A OG1 ILE 450.A O no hydrogen 3.450 N/A THR 454.A OG1 GLN 451.A O no hydrogen 2.760 N/A LEU 455.A N GLN 451.A O no hydrogen 3.040 N/A HIS 456.A N ARG 452.A O no hydrogen 3.166 N/A LYS 457.A N THR 454.A O no hydrogen 3.064 N/A GLY 458.A N THR 454.A O no hydrogen 3.377 N/A LYS 459.A NZ GLU 462.A OE1 no hydrogen 2.776 N/A LYS 459.A NZ GLU 506.A OE2 no hydrogen 2.830 N/A PHE 461.A N GLY 458.A O no hydrogen 2.885 N/A GLU 462.A N LYS 459.A O no hydrogen 3.172 N/A VAL 463.A N THR 454.A OG1 no hydrogen 2.893 N/A LEU 465.A N GLN 451.A OE1 no hydrogen 3.036 N/A ILE 466.A N MET 441.A O no hydrogen 2.619 N/A ARG 467.A NE ASP 474.A OD1 no hydrogen 2.794 N/A ARG 467.A NE ASP 474.A OD2 no hydrogen 3.271 N/A ARG 467.A NH2 ASP 474.A OD2 no hydrogen 2.834 N/A ILE 468.A N GLY 443.A O no hydrogen 3.132 N/A GLY 469.A N TYR 232.A OH no hydrogen 2.782 N/A ILE 472.A N HIS 105.A ND1 no hydrogen 3.068 N/A PHE 473.A N SER 445.A OG no hydrogen 2.802 N/A ARG 475.A NH1 ASP 474.A O no hydrogen 2.889 N/A ARG 480.A N HIS 477.A O no hydrogen 2.959 N/A ARG 480.A NH1 ASP 261.A OD1 no hydrogen 2.820 N/A ARG 480.A NH1 ASP 261.A OD2 no hydrogen 3.280 N/A ARG 480.A NH2 ASP 261.A OD2 no hydrogen 2.884 N/A SER 481.A N LEU 478.A O no hydrogen 3.002 N/A SER 481.A OG LEU 478.A O no hydrogen 2.859 N/A THR 482.A N GLN 491.A OE1 no hydrogen 2.930 N/A THR 482.A OG1 GLU 487.A OE2 no hydrogen 2.789 N/A THR 483.A N ASN 235.A OD1 no hydrogen 2.792 N/A LEU 484.A N ASN 235.A OD1 no hydrogen 3.083 N/A GLY 485.A N PRO 318.A O no hydrogen 2.793 N/A TYR 486.A OH ASP 325.A OD1 no hydrogen 2.576 N/A GLY 488.A N LEU 484.A O no hydrogen 2.983 N/A ALA 489.A N GLY 485.A O no hydrogen 3.083 N/A MET 490.A N TYR 486.A O no hydrogen 2.828 N/A GLN 491.A N GLU 487.A O no hydrogen 2.970 N/A ILE 492.A N GLY 488.A O no hydrogen 2.826 N/A LEU 493.A N ALA 489.A O no hydrogen 2.943 N/A THR 494.A N MET 490.A O no hydrogen 3.063 N/A THR 494.A OG1 MET 490.A O no hydrogen 2.816 N/A THR 495.A N GLN 491.A O no hydrogen 3.035 N/A THR 495.A OG1 GLN 491.A O no hydrogen 3.157 N/A LEU 496.A N ILE 492.A O no hydrogen 2.843 N/A VAL 497.A N LEU 493.A O no hydrogen 2.843 N/A ASN 498.A N THR 494.A O no hydrogen 2.964 N/A SER 499.A N THR 495.A O no hydrogen 2.970 N/A SER 499.A OG THR 495.A O no hydrogen 2.491 N/A ILE 500.A N LEU 496.A O no hydrogen 3.086 N/A LEU 501.A N VAL 497.A O no hydrogen 2.931 N/A GLU 502.A N ASN 498.A O no hydrogen 2.768 N/A ARG 503.A N SER 499.A O no hydrogen 3.070 N/A ARG 503.A NE GLU 507.A OE2 no hydrogen 3.140 N/A ARG 503.A NH1 GLU 462.A OE1 no hydrogen 2.916 N/A ARG 503.A NH2 LYS 459.A O no hydrogen 3.334 N/A LEU 504.A N ILE 500.A O no hydrogen 3.020 N/A ASP 505.A N LEU 501.A O no hydrogen 3.064 N/A GLU 506.A N GLU 502.A O no hydrogen 3.083 N/A GLU 507.A N ARG 503.A O no hydrogen 3.093 N/A THR 508.A N LEU 504.A O no hydrogen 3.004 N/A THR 508.A N ASP 505.A O no hydrogen 3.296 N/A THR 508.A OG1 LEU 504.A O no hydrogen 2.915 N/A THR 508.A OG1 ASP 505.A O no hydrogen 3.485 N/A THR 508.A OG1 HIS 518.A ND1 no hydrogen 2.754 N/A ARG 509.A N GLU 506.A O no hydrogen 3.470 N/A GLY 510.A N THR 514.A OG1 no hydrogen 3.176 N/A GLN 512.A N ASP 515.A OD1 no hydrogen 2.770 N/A ALA 513.A N GLY 510.A O no hydrogen 2.976 N/A THR 514.A N GLY 510.A O no hydrogen 2.852 N/A THR 514.A OG1 GLU 507.A O no hydrogen 2.942 N/A ASP 515.A N GLY 510.A O no hydrogen 3.075 N/A ASN 517.A N THR 514.A O no hydrogen 3.319 N/A HIS 518.A N ASP 515.A O no hydrogen 3.145 N/A HIS 518.A ND1 THR 508.A OG1 no hydrogen 2.754 N/A ARG 522.A NH1 ASN 517.A O no hydrogen 2.913 N/A ARG 522.A NH2 ASP 505.A OD1 no hydrogen 2.916 N/A ARG 522.A NH2 ASN 517.A O no hydrogen 3.105 N/A