Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7m3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 LEU 107.A O no hydrogen 2.917 N/A ARG 3.A NH1 LEU 112.A O no hydrogen 2.877 N/A ARG 3.A NH2 TYR 108.A O no hydrogen 2.982 N/A SER 4.A N ASP 113.A OD1 no hydrogen 2.830 N/A SER 4.A OG ASP 113.A OD1 no hydrogen 3.187 N/A SER 4.A OG ASP 113.A OD2 no hydrogen 2.570 N/A ARG 5.A N LEU 2.A O no hydrogen 3.179 N/A ARG 5.A NH1 ASP 9.A O no hydrogen 3.396 N/A ALA 6.A N ARG 3.A O no hydrogen 3.233 N/A TRP 7.A N SER 4.A O no hydrogen 3.074 N/A PHE 8.A N SER 4.A O no hydrogen 3.201 N/A ASP 9.A N ARG 5.A O no hydrogen 2.923 N/A ASN 10.A N THR 17.A OG1 no hydrogen 3.280 N/A ASN 10.A ND2 ALA 6.A O no hydrogen 3.620 N/A ASP 12.A N ASN 10.A OD1 no hydrogen 3.306 N/A ASP 13.A N ASN 10.A O no hydrogen 3.119 N/A MET 16.A N ASP 13.A OD1 no hydrogen 3.479 N/A THR 17.A N ASP 13.A O no hydrogen 3.354 N/A THR 17.A OG1 ASN 10.A O no hydrogen 3.165 N/A THR 17.A OG1 ASP 13.A O no hydrogen 2.875 N/A ALA 18.A N VAL 14.A O no hydrogen 3.131 N/A LEU 19.A N ASP 15.A O no hydrogen 3.242 N/A TYR 20.A N MET 16.A O no hydrogen 3.112 N/A LEU 21.A N THR 17.A O no hydrogen 3.076 N/A GLU 22.A N ALA 18.A O no hydrogen 3.069 N/A ARG 23.A N LEU 19.A O no hydrogen 3.400 N/A TYR 24.A N TYR 20.A O no hydrogen 3.037 N/A ASN 26.A N ARG 23.A O no hydrogen 3.168 N/A GLY 28.A N MET 25.A O no hydrogen 3.130 N/A SER 30.A N GLU 33.A OE1 no hydrogen 2.935 N/A SER 30.A OG GLU 33.A OE1 no hydrogen 2.768 N/A GLN 31.A NE2 GLN 35.A OE1 no hydrogen 2.999 N/A GLU 33.A N SER 30.A OG no hydrogen 3.262 N/A LEU 34.A N SER 30.A O no hydrogen 3.325 N/A LEU 34.A N GLN 31.A O no hydrogen 3.077 N/A GLN 35.A N GLU 32.A O no hydrogen 3.311 N/A GLN 35.A NE2 PHE 8.A O no hydrogen 2.659 N/A SER 36.A OG GLU 32.A O no hydrogen 2.701 N/A ARG 38.A NE GLY 72.A O no hydrogen 3.008 N/A ARG 38.A NH2 GLY 73.A O no hydrogen 3.070 N/A ILE 40.A N ASP 113.A OD2 no hydrogen 2.829 N/A ILE 41.A N ILE 74.A O no hydrogen 2.687 N/A GLY 42.A N GLY 114.A O no hydrogen 2.833 N/A ILE 43.A N ILE 76.A O no hydrogen 3.005 N/A ALA 44.A N VAL 116.A O no hydrogen 2.793 N/A GLN 45.A N PHE 78.A O no hydrogen 2.817 N/A GLN 45.A NE2 HIS 57.A O no hydrogen 3.144 N/A GLN 45.A NE2 GLU 77.A OE2 no hydrogen 2.711 N/A THR 46.A N THR 118.A OG1 no hydrogen 2.890 N/A THR 46.A OG1 THR 118.A O no hydrogen 2.860 N/A THR 46.A OG1 THR 118.A OG1 no hydrogen 2.929 N/A GLY 47.A N GLN 45.A OE1 no hydrogen 2.975 N/A LEU 50.A N SER 48.A OG no hydrogen 2.787 N/A SER 51.A N SER 48.A O no hydrogen 3.175 N/A SER 51.A N SER 48.A OG no hydrogen 3.273 N/A SER 51.A OG.A ILE 83.A O no hydrogen 3.567 N/A SER 51.A OG.B ILE 83.A O no hydrogen 2.999 N/A CYS 53.A SG GLN 84.A OE1 no hydrogen 3.536 N/A ASN 54.A N SER 51.A O no hydrogen 3.049 N/A ASN 54.A ND2 THR 46.A OG1 no hydrogen 2.828 N/A ASN 54.A ND2 THR 124.A OG1 no hydrogen 3.312 N/A ARG 55.A N PRO 52.A O no hydrogen 3.409 N/A ARG 55.A NE ASP 49.A OD1 no hydrogen 2.929 N/A ARG 55.A NH2 ASP 49.A OD1 no hydrogen 3.263 N/A HIS 57.A N ASN 54.A O no hydrogen 2.917 N/A HIS 57.A NE2 ILE 119.A O no hydrogen 2.756 N/A LEU 58.A N ARG 55.A O no hydrogen 3.004 N/A GLU 59.A N HIS 56.A O no hydrogen 2.948 N/A LEU 60.A N HIS 56.A O no hydrogen 2.981 N/A ALA 61.A N HIS 57.A O no hydrogen 3.077 N/A LYS 62.A N GLU 59.A O no hydrogen 3.055 N/A LYS 62.A NZ GLU 59.A OE1 no hydrogen 2.898 N/A LYS 62.A NZ GLU 59.A OE2 no hydrogen 3.544 N/A ARG 63.A NH1 ASP 66.A OD2 no hydrogen 2.944 N/A VAL 64.A N LEU 60.A O no hydrogen 3.217 N/A ARG 65.A N ALA 61.A O no hydrogen 2.940 N/A ARG 65.A NH2 GLU 77.A OE1 no hydrogen 2.916 N/A ASP 66.A N LYS 62.A O no hydrogen 3.166 N/A GLY 67.A N ARG 63.A O no hydrogen 3.194 N/A VAL 68.A N VAL 64.A O no hydrogen 2.962 N/A ARG 69.A N ARG 65.A O no hydrogen 2.971 N/A ARG 69.A NH1 GLU 33.A OE2 no hydrogen 2.594 N/A ARG 69.A NH2 GLU 33.A OE2 no hydrogen 2.685 N/A GLU 70.A N ASP 66.A O no hydrogen 3.053 N/A ALA 71.A N GLY 67.A O no hydrogen 3.003 N/A GLY 72.A N ARG 69.A O no hydrogen 2.911 N/A GLY 73.A N VAL 68.A O no hydrogen 2.803 N/A ILE 74.A N PRO 39.A O no hydrogen 2.876 N/A ILE 76.A N ILE 41.A O no hydrogen 2.789 N/A PHE 78.A N ILE 43.A O no hydrogen 3.041 N/A VAL 80.A N GLN 45.A O no hydrogen 2.932 N/A THR 86.A OG1 GLN 84.A OE1 no hydrogen 2.856 N/A LYS 88.A N GLN 84.A O no hydrogen 3.109 N/A ASP 95.A N ALA 92.A O no hydrogen 3.107 N/A ARG 96.A NE ASN 97.A OD1 no hydrogen 3.150 N/A ARG 96.A NH1 HIS 276.A ND1 no hydrogen 3.083 N/A ARG 96.A NH1 GLY 568.A O no hydrogen 3.261 N/A ARG 96.A NH2 ASN 97.A OD1 no hydrogen 3.035 N/A ARG 96.A NH2 GLY 568.A O no hydrogen 2.703 N/A ASN 97.A ND2 GLN 558.A OE1 no hydrogen 3.089 N/A ASN 97.A ND2 ALA 569.A O no hydrogen 2.921 N/A ALA 99.A N ASP 95.A O no hydrogen 2.973 N/A TYR 100.A N ARG 96.A O no hydrogen 3.004 N/A TYR 100.A OH THR 134.A OG1 no hydrogen 2.803 N/A LEU 101.A N ASN 97.A O no hydrogen 3.039 N/A GLY 102.A N LEU 98.A O no hydrogen 3.190 N/A LEU 103.A N ALA 99.A O no hydrogen 2.979 N/A VAL 104.A N TYR 100.A O no hydrogen 2.942 N/A GLU 105.A N LEU 101.A O no hydrogen 3.181 N/A VAL 106.A N GLY 102.A O no hydrogen 3.051 N/A LEU 107.A N LEU 103.A O no hydrogen 2.969 N/A TYR 108.A N VAL 104.A O no hydrogen 2.925 N/A TYR 108.A OH ARG 584.A O no hydrogen 2.990 N/A GLY 109.A N GLU 105.A O no hydrogen 2.988 N/A TYR 110.A N VAL 106.A O no hydrogen 3.131 N/A LEU 112.A N TYR 110.A O no hydrogen 2.738 N/A ASP 113.A N ILE 40.A O no hydrogen 2.764 N/A GLY 114.A N ILE 40.A O no hydrogen 3.294 N/A VAL 115.A N PRO 138.A O no hydrogen 2.967 N/A VAL 116.A N GLY 42.A O no hydrogen 2.705 N/A LEU 117.A N ILE 140.A O no hydrogen 2.768 N/A THR 118.A N ALA 44.A O no hydrogen 3.158 N/A THR 118.A OG1 ALA 44.A O no hydrogen 2.718 N/A THR 118.A OG1 THR 46.A OG1 no hydrogen 2.929 N/A ILE 119.A N LEU 142.A O no hydrogen 2.887 N/A GLY 120.A N THR 124.A OG1 no hydrogen 2.954 N/A CYS 121.A N ASN 54.A OD1 no hydrogen 2.628 N/A LYS 123.A NZ GLU 85.A OE1 no hydrogen 2.957 N/A LYS 123.A NZ GLU 85.A OE2 no hydrogen 3.000 N/A THR 124.A N CYS 121.A O no hydrogen 2.847 N/A THR 124.A OG1 CYS 121.A O no hydrogen 2.777 N/A ALA 127.A N LYS 123.A O no hydrogen 3.015 N/A CYS 128.A N THR 124.A O no hydrogen 2.959 N/A CYS 128.A SG THR 118.A O no hydrogen 4.006 N/A LEU 129.A N THR 125.A O no hydrogen 2.967 N/A MET 130.A N PRO 126.A O no hydrogen 2.666 N/A ALA 131.A N ALA 127.A O no hydrogen 3.202 N/A ALA 132.A N CYS 128.A O no hydrogen 3.015 N/A ALA 133.A N LEU 129.A O no hydrogen 2.798 N/A THR 134.A N MET 130.A O no hydrogen 2.978 N/A THR 134.A OG1 TYR 100.A OH no hydrogen 2.803 N/A THR 134.A OG1 MET 130.A O no hydrogen 3.316 N/A VAL 135.A N ALA 131.A O no hydrogen 3.075 N/A ASN 136.A N ALA 132.A O no hydrogen 2.758 N/A ASN 136.A ND2 SER 249.A OG no hydrogen 2.870 N/A ASN 136.A ND2 ASP 579.A OD1 no hydrogen 3.020 N/A ILE 140.A N VAL 115.A O no hydrogen 3.077 N/A ALA 141.A N MET 212.A O no hydrogen 2.892 N/A LEU 142.A N LEU 117.A O no hydrogen 2.832 N/A SER 143.A N GLN 213.A OE1 no hydrogen 3.073 N/A SER 143.A OG ASN 204.A OD1 no hydrogen 2.517 N/A VAL 144.A N ILE 119.A O no hydrogen 2.966 N/A MET 147.A N TYR 193.A O no hydrogen 2.852 N/A LEU 148.A N SER 190.A OG no hydrogen 3.077 N/A ASN 149.A N GLU 315.A OE2 no hydrogen 2.755 N/A ASN 149.A ND2 ASP 316.A OD1 no hydrogen 3.498 N/A ASN 149.A ND2 ASP 316.A OD2 no hydrogen 3.117 N/A PHE 152.A N GLU 155.A O no hydrogen 2.899 N/A GLU 155.A N PHE 152.A O no hydrogen 3.094 N/A ARG 156.A NE ASP 316.A OD2 no hydrogen 2.776 N/A ARG 156.A NH2 ASP 316.A OD1 no hydrogen 2.716 N/A ARG 156.A NH2 ASP 316.A OD2 no hydrogen 3.423 N/A THR 157.A N GLY 150.A O no hydrogen 3.071 N/A THR 157.A OG1 SER 186.A OG no hydrogen 3.052 N/A SER 159.A N ASN 195.A OD1 no hydrogen 2.788 N/A SER 159.A OG ASN 195.A OD1 no hydrogen 3.050 N/A THR 161.A OG1 THR 486.A O no hydrogen 3.106 N/A ILE 162.A N GLY 158.A O no hydrogen 2.851 N/A VAL 163.A N GLY 160.A O no hydrogen 3.145 N/A TRP 164.A N GLY 160.A O no hydrogen 3.425 N/A TRP 164.A NE1 THR 486.A OG1 no hydrogen 2.895 N/A LYS 165.A N THR 161.A O no hydrogen 3.227 N/A ALA 166.A N ILE 162.A O no hydrogen 2.924 N/A ARG 167.A N VAL 163.A O no hydrogen 2.633 N/A LEU 169.A N LYS 165.A O no hydrogen 3.222 N/A LEU 170.A N ALA 166.A O no hydrogen 2.716 N/A ALA 171.A N ARG 167.A O no hydrogen 3.400 N/A GLY 173.A N LEU 170.A O no hydrogen 3.269 N/A GLY 179.A N ASP 176.A OD2 no hydrogen 3.220 N/A VAL 181.A N GLN 178.A O no hydrogen 3.037 N/A LEU 183.A N GLY 179.A O no hydrogen 3.227 N/A VAL 184.A N PHE 180.A O no hydrogen 3.398 N/A ALA 185.A N VAL 181.A O no hydrogen 2.904 N/A SER 186.A N LYS 182.A O no hydrogen 3.080 N/A SER 186.A OG THR 157.A OG1 no hydrogen 3.052 N/A SER 186.A OG LEU 183.A O no hydrogen 3.235 N/A SER 187.A N VAL 184.A O no hydrogen 3.108 N/A SER 187.A OG VAL 184.A O no hydrogen 2.760 N/A ALA 188.A N ALA 185.A O no hydrogen 3.248 N/A SER 190.A OG THR 191.A O no hydrogen 2.939 N/A TYR 193.A N GLY 145.A O no hydrogen 3.047 N/A CYS 194.A SG.A SER 159.A OG no hydrogen 3.739 N/A CYS 194.A SG.B SER 159.A O no hydrogen 3.139 N/A CYS 194.A SG.B SER 159.A OG no hydrogen 3.270 N/A CYS 194.A SG.B THR 196.A OG1 no hydrogen 2.811 N/A ASN 195.A N SER 159.A OG no hydrogen 2.937 N/A ASN 195.A ND2 LEU 148.A O no hydrogen 2.949 N/A ASN 195.A ND2 SER 187.A O no hydrogen 3.178 N/A THR 196.A OG1 SER 159.A O no hydrogen 3.158 N/A MET 197.A N GLN 307.A O no hydrogen 2.773 N/A THR 199.A OG1 SER 270.A OG no hydrogen 3.214 N/A THR 201.A OG1 THR 196.A O no hydrogen 2.640 N/A THR 202.A N GLY 198.A O no hydrogen 2.925 N/A THR 202.A OG1 GLY 198.A O no hydrogen 2.682 N/A MET 203.A N THR 199.A O no hydrogen 2.783 N/A ASN 204.A N ALA 200.A O no hydrogen 2.898 N/A ASN 204.A ND2 GLY 120.A O no hydrogen 2.882 N/A ASN 204.A ND2 ALA 200.A O no hydrogen 2.667 N/A SER 205.A N THR 201.A O no hydrogen 2.920 N/A SER 205.A OG THR 201.A O no hydrogen 3.191 N/A SER 205.A OG TYR 317.A OH no hydrogen 2.988 N/A LEU 206.A N THR 202.A O no hydrogen 2.764 N/A ALA 207.A N MET 203.A O no hydrogen 2.869 N/A GLU 208.A N ASN 204.A O no hydrogen 3.297 N/A ALA 209.A N SER 205.A O no hydrogen 2.954 N/A LEU 210.A N LEU 206.A O no hydrogen 2.701 N/A GLY 211.A N GLU 208.A O no hydrogen 2.898 N/A MET 212.A N ALA 207.A O no hydrogen 2.930 N/A GLN 213.A NE2 SER 143.A OG no hydrogen 2.714 N/A GLN 213.A NE2 ASN 204.A O no hydrogen 3.036 N/A GLY 216.A N GLU 208.A OE2 no hydrogen 2.685 N/A SER 217.A N LEU 214.A O no hydrogen 3.151 N/A SER 217.A OG GLN 213.A OE1 no hydrogen 2.645 N/A ALA 218.A N GLU 208.A OE1 no hydrogen 2.928 N/A ALA 222.A N PRO 146.A O no hydrogen 2.825 N/A TYR 224.A N PRO 221.A O no hydrogen 3.167 N/A TYR 224.A OH GLU 315.A OE1 no hydrogen 2.636 N/A TYR 224.A OH HIS 319.A NE2 no hydrogen 3.312 N/A ARG 225.A NH1 ASP 226.A OD1 no hydrogen 2.884 N/A ARG 225.A NH1 GLU 229.A OE1 no hydrogen 2.913 N/A ARG 225.A NH2 GLU 229.A OE1 no hydrogen 2.930 N/A ARG 227.A N TYR 224.A O no hydrogen 2.917 N/A ARG 227.A NE VAL 144.A O no hydrogen 2.970 N/A ARG 227.A NH1 SER 217.A O no hydrogen 2.677 N/A ARG 227.A NH1 SER 217.A OG no hydrogen 3.042 N/A ARG 227.A NH2 SER 217.A O no hydrogen 2.710 N/A ARG 227.A NH2 ALA 218.A O no hydrogen 3.472 N/A ARG 227.A NH2 ILE 220.A O no hydrogen 2.776 N/A GLU 229.A N ARG 225.A O no hydrogen 3.042 N/A VAL 230.A N ASP 226.A O no hydrogen 2.992 N/A ALA 231.A N ARG 227.A O no hydrogen 2.986 N/A TYR 232.A N GLN 228.A O no hydrogen 3.284 N/A TYR 232.A OH GLU 70.A OE1 no hydrogen 2.916 N/A TYR 232.A OH GLU 70.A OE2 no hydrogen 2.740 N/A LEU 233.A N GLU 229.A O no hydrogen 3.022 N/A MET 234.A N VAL 230.A O no hydrogen 2.929 N/A GLY 235.A N ALA 231.A O no hydrogen 3.100 N/A ARG 236.A N TYR 232.A O no hydrogen 3.100 N/A ARG 236.A NH1.B GLU 70.A OE2 no hydrogen 3.411 N/A ARG 237.A N LEU 233.A O no hydrogen 2.991 N/A ARG 237.A NE VAL 343.A O no hydrogen 2.698 N/A ARG 237.A NH1 GLU 240.A OE1 no hydrogen 3.112 N/A ARG 237.A NH1 GLU 244.A OE1 no hydrogen 3.474 N/A ARG 237.A NH1 GLU 244.A OE2 no hydrogen 2.845 N/A ARG 237.A NH2 GLU 244.A OE1 no hydrogen 2.911 N/A ARG 237.A NH2 VAL 343.A O no hydrogen 3.002 N/A ILE 238.A N MET 234.A O no hydrogen 2.925 N/A MET 241.A N ARG 237.A O no hydrogen 2.818 N/A VAL 242.A N ILE 238.A O no hydrogen 3.036 N/A HIS 243.A N VAL 239.A O no hydrogen 3.242 N/A GLU 244.A N GLU 240.A O no hydrogen 2.847 N/A ASP 245.A N VAL 242.A O no hydrogen 3.092 N/A LEU 246.A N MET 241.A O no hydrogen 2.954 N/A LYS 247.A N ASP 250.A OD2 no hydrogen 2.840 N/A LYS 247.A NZ ASP 245.A O no hydrogen 2.966 N/A LYS 247.A NZ ASP 245.A OD2 no hydrogen 2.750 N/A LYS 247.A NZ ASP 250.A OD2 no hydrogen 3.145 N/A SER 249.A N ASN 136.A OD1 no hydrogen 2.886 N/A ASP 250.A N LYS 247.A O no hydrogen 2.967 N/A ILE 251.A N PRO 248.A O no hydrogen 3.058 N/A LEU 252.A N PRO 248.A O no hydrogen 2.739 N/A THR 253.A N ILE 251.A O no hydrogen 2.874 N/A PHE 257.A N THR 253.A O no hydrogen 3.083 N/A ILE 258.A N LYS 254.A O no hydrogen 2.934 N/A ASN 259.A N GLU 255.A O no hydrogen 2.929 N/A ASN 259.A ND2 HIS 337.A O no hydrogen 3.119 N/A ALA 260.A N ALA 256.A O no hydrogen 2.987 N/A ILE 261.A N PHE 257.A O no hydrogen 2.929 N/A ARG 262.A N ILE 258.A O no hydrogen 3.146 N/A ARG 262.A NE TYR 296.A O no hydrogen 2.993 N/A ARG 262.A NH1 LEU 335.A O no hydrogen 2.930 N/A VAL 263.A N ASN 259.A O no hydrogen 2.935 N/A ASN 264.A N ALA 260.A O no hydrogen 2.777 N/A SER 265.A N ILE 261.A O no hydrogen 3.270 N/A SER 265.A OG ILE 261.A O no hydrogen 3.465 N/A SER 265.A OG GLY 297.A O no hydrogen 2.822 N/A ALA 266.A N ARG 262.A O no hydrogen 3.159 N/A ILE 267.A N VAL 263.A O no hydrogen 2.944 N/A GLY 268.A N SER 265.A O no hydrogen 3.284 N/A GLY 269.A N ASN 264.A O no hydrogen 2.731 N/A SER 270.A N THR 202.A OG1 no hydrogen 2.988 N/A SER 270.A OG THR 199.A OG1 no hydrogen 3.214 N/A ASN 272.A N SER 270.A OG no hydrogen 2.978 N/A ASN 272.A ND2 THR 199.A OG1 no hydrogen 3.017 N/A ASN 272.A ND2 GLU 457.A OE2 no hydrogen 3.505 N/A ASN 272.A ND2 GLN 483.A O no hydrogen 3.352 N/A ALA 273.A N SER 270.A O no hydrogen 3.102 N/A HIS 276.A N ASN 272.A O no hydrogen 3.221 N/A LEU 277.A N ALA 273.A O no hydrogen 2.925 N/A ASN 278.A N PRO 274.A O no hydrogen 2.984 N/A ASN 278.A ND2 GLU 566.A O no hydrogen 3.167 N/A ALA 279.A N ILE 275.A O no hydrogen 3.074 N/A LEU 280.A N HIS 276.A O no hydrogen 2.902 N/A ALA 281.A N LEU 277.A O no hydrogen 2.783 N/A ARG 282.A N ASN 278.A O no hydrogen 3.088 N/A ARG 282.A NH1 THR 567.A O no hydrogen 3.116 N/A ARG 282.A NH1 GLU 572.A OE1 no hydrogen 3.486 N/A ARG 282.A NH1 GLU 572.A OE2 no hydrogen 2.874 N/A ARG 282.A NH2 GLU 572.A OE1 no hydrogen 2.684 N/A HIS 283.A N ALA 279.A O no hydrogen 3.021 N/A ILE 284.A N LEU 280.A O no hydrogen 2.969 N/A ILE 284.A N ALA 281.A O no hydrogen 3.229 N/A GLY 285.A N ARG 282.A O no hydrogen 3.226 N/A VAL 286.A N ALA 281.A O no hydrogen 2.854 N/A THR 289.A N ASP 292.A OD2 no hydrogen 2.798 N/A THR 289.A OG1 ASP 292.A OD2 no hydrogen 3.251 N/A ASP 292.A N THR 289.A O no hydrogen 2.957 N/A ASP 292.A N THR 289.A OG1 no hydrogen 3.246 N/A TRP 293.A N VAL 290.A O no hydrogen 3.029 N/A TRP 293.A NE1 ASN 278.A OD1 no hydrogen 3.081 N/A GLN 294.A NE2 GLU 298.A OE1 no hydrogen 2.976 N/A LYS 295.A N ASP 291.A O no hydrogen 2.888 N/A TYR 296.A N ASP 292.A O no hydrogen 2.890 N/A GLY 297.A N TRP 293.A O no hydrogen 2.974 N/A GLU 298.A N GLN 294.A O no hydrogen 3.102 N/A ILE 300.A N GLY 297.A O no hydrogen 3.166 N/A LEU 302.A N LYS 371.A O no hydrogen 2.660 N/A LEU 303.A N ALA 266.A O no hydrogen 2.733 N/A VAL 304.A N ALA 266.A O no hydrogen 3.118 N/A ASN 305.A N VAL 362.A O no hydrogen 2.666 N/A ASN 305.A ND2 GLU 311.A OE1 no hydrogen 2.912 N/A ASN 305.A ND2 ASN 361.A O no hydrogen 3.026 N/A GLN 307.A N TYR 312.A O no hydrogen 2.901 N/A GLN 307.A NE2 ARG 156.A O no hydrogen 3.303 N/A GLN 307.A NE2 GLU 311.A O no hydrogen 3.165 N/A GLY 310.A N LEU 306.A O no hydrogen 2.545 N/A GLU 311.A N ASN 305.A OD1 no hydrogen 3.068 N/A TYR 312.A N ASN 305.A O no hydrogen 2.998 N/A LEU 313.A N ASP 316.A OD2 no hydrogen 3.027 N/A GLY 314.A N ASN 195.A O no hydrogen 2.859 N/A GLU 315.A N ASN 149.A OD1 no hydrogen 3.405 N/A TYR 317.A N LEU 313.A O no hydrogen 3.033 N/A TYR 317.A OH SER 205.A OG no hydrogen 2.988 N/A TYR 318.A N GLY 314.A O no hydrogen 3.009 N/A TYR 318.A OH ASP 226.A OD2 no hydrogen 2.592 N/A HIS 319.A N GLU 315.A O no hydrogen 2.996 N/A ALA 320.A N ASP 316.A O no hydrogen 2.885 N/A GLY 321.A N TYR 318.A O no hydrogen 3.104 N/A GLY 322.A N TYR 317.A O no hydrogen 2.958 N/A ALA 325.A N GLY 321.A O no hydrogen 3.405 N/A VAL 326.A N GLY 322.A O no hydrogen 3.312 N/A VAL 327.A N VAL 323.A O no hydrogen 2.865 N/A ASN 328.A N PRO 324.A O no hydrogen 2.886 N/A ASN 328.A ND2 CYS 352.A O no hydrogen 3.076 N/A GLN 329.A N ALA 325.A O no hydrogen 3.190 N/A LEU 330.A N VAL 326.A O no hydrogen 3.135 N/A MET 331.A N VAL 327.A O no hydrogen 2.751 N/A GLY 332.A N ASN 328.A O no hydrogen 3.097 N/A GLN 333.A N LEU 330.A O no hydrogen 3.073 N/A GLY 334.A N MET 331.A O no hydrogen 2.845 N/A LEU 335.A N LEU 330.A O no hydrogen 2.963 N/A HIS 337.A N ASN 259.A OD1 no hydrogen 2.744 N/A ALA 340.A N HIS 337.A O no hydrogen 3.374 N/A THR 342.A N LYS 346.A O no hydrogen 2.917 N/A THR 342.A OG1 ASN 344.A OD1 no hydrogen 2.880 N/A THR 342.A OG1 LYS 346.A O no hydrogen 2.744 N/A VAL 343.A N GLY 211.A O no hydrogen 2.865 N/A ASN 344.A ND2 ASN 351.A OD1 no hydrogen 3.056 N/A GLY 345.A N THR 342.A O no hydrogen 2.944 N/A LYS 346.A N ASN 344.A OD1 no hydrogen 2.972 N/A THR 347.A OG1 GLU 338.A O no hydrogen 3.228 N/A ILE 348.A N ALA 340.A O no hydrogen 2.925 N/A GLY 349.A N GLU 338.A O no hydrogen 2.933 N/A GLU 350.A N THR 347.A OG1 no hydrogen 3.090 N/A ASN 351.A N THR 347.A O no hydrogen 3.002 N/A ASN 351.A ND2 ASN 344.A OD1 no hydrogen 3.188 N/A CYS 352.A N ILE 348.A O no hydrogen 3.051 N/A CYS 352.A SG ILE 348.A O no hydrogen 3.404 N/A LYS 353.A NZ GLU 350.A OE1.A no hydrogen 2.558 N/A LYS 353.A NZ GLU 350.A OE1.B no hydrogen 2.900 N/A LYS 353.A NZ GLU 350.A OE2.B no hydrogen 3.428 N/A ALA 355.A N CYS 352.A O no hydrogen 3.104 N/A THR 356.A OG1 GLU 358.A OE2 no hydrogen 2.424 N/A GLU 358.A N ALA 320.A O no hydrogen 2.734 N/A ASN 361.A N ASP 359.A OD1 no hydrogen 2.912 N/A VAL 362.A N ASP 359.A O no hydrogen 3.191 N/A ILE 363.A N ASP 359.A O no hydrogen 3.289 N/A LYS 364.A N LEU 303.A O no hydrogen 2.771 N/A LYS 364.A NZ GLY 360.A O no hydrogen 2.872 N/A TYR 366.A N GLN 329.A OE1 no hydrogen 2.951 N/A GLN 368.A N THR 365.A OG1 no hydrogen 3.278 N/A LEU 370.A N LEU 302.A O no hydrogen 2.853 N/A LYS 371.A N LEU 302.A O no hydrogen 3.363 N/A HIS 373.A NE2.A GLU 298.A OE2 no hydrogen 2.456 N/A ALA 374.A N ILE 300.A O no hydrogen 2.923 N/A GLY 375.A N GLU 298.A O no hydrogen 2.940 N/A ARG 377.A NE GLU 298.A OE2 no hydrogen 3.120 N/A ARG 377.A NH2 GLU 298.A OE1 no hydrogen 3.195 N/A ARG 377.A NH2 GLU 298.A OE2 no hydrogen 2.991 N/A VAL 378.A N GLN 294.A OE1 no hydrogen 3.461 N/A LEU 379.A N ALA 387.A O no hydrogen 2.747 N/A ARG 380.A N GLY 521.A O no hydrogen 3.011 N/A ARG 380.A NH1 SER 385.A O no hydrogen 3.421 N/A ASN 382.A N ASP 524.A OD2 no hydrogen 3.272 N/A ASN 382.A ND2 ILE 525.A O no hydrogen 3.183 N/A LEU 383.A N ALA 523.A O no hydrogen 3.484 N/A SER 385.A OG GLU 566.A OE1 no hydrogen 3.565 N/A SER 386.A N SER 496.A O no hydrogen 2.921 N/A SER 386.A OG GLU 566.A OE1 no hydrogen 3.042 N/A ALA 387.A N LEU 379.A O no hydrogen 3.086 N/A ILE 388.A N LEU 493.A O no hydrogen 3.143 N/A MET 389.A N ARG 377.A O no hydrogen 3.101 N/A LYS 390.A NZ SER 487.A O no hydrogen 3.146 N/A LEU 391.A N GLY 375.A O no hydrogen 3.387 N/A PHE 398.A N SER 395.A OG no hydrogen 3.149 N/A ARG 399.A N SER 395.A O no hydrogen 2.801 N/A ASN 400.A N ASP 396.A O no hydrogen 2.662 N/A ARG 401.A N GLU 397.A O no hydrogen 2.981 N/A TYR 402.A N PHE 398.A O no hydrogen 2.968 N/A LEU 403.A N ARG 399.A O no hydrogen 3.003 N/A SER 404.A OG ARG 399.A O no hydrogen 3.073 N/A LYS 407.A N ASP 405.A OD1 no hydrogen 3.233 N/A PHE 412.A N ILE 516.A O no hydrogen 3.194 N/A GLY 414.A N VAL 514.A O no hydrogen 3.467 N/A LYS 415.A N HIS 439.A O no hydrogen 2.769 N/A ALA 416.A N ASP 512.A O no hydrogen 3.245 N/A VAL 417.A N VAL 441.A O no hydrogen 3.383 N/A VAL 418.A N THR 510.A OG1 no hydrogen 2.709 N/A PHE 419.A N PHE 443.A O no hydrogen 3.002 N/A ASP 420.A N ASP 424.A OD2 no hydrogen 2.875 N/A GLU 423.A N GLU 423.A OE1 no hydrogen 2.610 N/A TYR 425.A N GLY 421.A O no hydrogen 3.272 N/A TYR 425.A OH ARG 462.A O no hydrogen 3.315 N/A HIS 426.A N PRO 422.A O no hydrogen 2.998 N/A HIS 427.A N ASP 424.A O no hydrogen 3.280 N/A ARG 428.A N TYR 425.A O no hydrogen 3.074 N/A ILE 429.A N TYR 425.A O no hydrogen 2.969 N/A ASP 431.A N ARG 428.A O no hydrogen 3.210 N/A LEU 434.A N ASP 431.A O no hydrogen 3.165 N/A GLU 435.A N PRO 432.A O no hydrogen 3.213 N/A ASP 437.A N THR 440.A OG1 no hydrogen 3.367 N/A VAL 441.A N LYS 415.A O no hydrogen 2.742 N/A LEU 442.A N PRO 476.A O no hydrogen 3.000 N/A PHE 443.A N VAL 417.A O no hydrogen 2.748 N/A MET 444.A N ILE 478.A O no hydrogen 2.928 N/A ARG 445.A N PHE 419.A O no hydrogen 3.147 N/A ARG 445.A NE ASP 420.A OD1 no hydrogen 3.204 N/A ARG 445.A NE ASP 420.A OD2 no hydrogen 2.894 N/A ARG 445.A NH1 LEU 505.A O no hydrogen 3.157 N/A ARG 445.A NH1 LEU 508.A O no hydrogen 2.485 N/A ARG 445.A NH2 ASP 420.A OD1 no hydrogen 3.082 N/A GLY 446.A N ASP 480.A OD2 no hydrogen 2.947 N/A ALA 447.A N ASP 480.A OD1 no hydrogen 2.903 N/A ILE 450.A N GLU 498.A OE1 no hydrogen 3.143 N/A ILE 450.A N GLU 498.A OE2 no hydrogen 2.817 N/A GLY 451.A N GLU 498.A OE1 no hydrogen 2.731 N/A TYR 452.A N GLY 448.A O no hydrogen 3.079 N/A VAL 458.A N ARG 482.A O no hydrogen 2.931 N/A VAL 459.A N ARG 482.A O no hydrogen 3.069 N/A MET 461.A N VAL 459.A O no hydrogen 2.455 N/A ARG 462.A N TYR 425.A OH no hydrogen 2.844 N/A ARG 462.A NH1 ASP 430.A OD1 no hydrogen 3.012 N/A ARG 462.A NH1 ALA 463.A O no hydrogen 3.191 N/A ARG 462.A NH2 ASP 430.A OD2 no hydrogen 3.221 N/A ASP 465.A N ASP 430.A OD1 no hydrogen 3.260 N/A TYR 466.A OH ASP 431.A O no hydrogen 3.398 N/A LEU 467.A N PRO 464.A O no hydrogen 3.131 N/A LEU 468.A N PRO 464.A O no hydrogen 2.940 N/A LYS 469.A N ASP 465.A O no hydrogen 3.057 N/A GLY 471.A N LEU 467.A O no hydrogen 3.060 N/A ILE 472.A N LEU 467.A O no hydrogen 2.861 N/A THR 473.A N GLU 397.A OE2 no hydrogen 3.098 N/A CYS 477.A SG MET 461.A O no hydrogen 3.513 N/A CYS 477.A SG LEU 475.A O no hydrogen 3.469 N/A ILE 478.A N LEU 442.A O no hydrogen 3.078 N/A GLY 479.A N ILE 492.A O no hydrogen 3.009 N/A ASP 480.A N MET 444.A O no hydrogen 3.097 N/A ARG 482.A N ALA 456.A O no hydrogen 2.892 N/A GLN 483.A NE2 SER 489.A O no hydrogen 3.063 N/A SER 484.A OG THR 486.A OG1 no hydrogen 3.045 N/A THR 486.A N SER 484.A OG no hydrogen 3.349 N/A THR 486.A OG1 SER 484.A OG no hydrogen 3.045 N/A SER 487.A N SER 484.A O no hydrogen 3.030 N/A SER 489.A N SER 487.A OG no hydrogen 3.101 N/A SER 489.A OG SER 491.A OG no hydrogen 2.616 N/A SER 491.A N SER 489.A O no hydrogen 2.886 N/A SER 491.A OG GLN 483.A OE1 no hydrogen 2.793 N/A SER 491.A OG SER 489.A O no hydrogen 3.531 N/A SER 491.A OG SER 489.A OG no hydrogen 2.616 N/A ILE 492.A N CYS 477.A O no hydrogen 2.744 N/A LEU 493.A N ILE 388.A O no hydrogen 2.838 N/A ASN 494.A N GLY 481.A O no hydrogen 2.998 N/A ASN 494.A ND2 THR 271.A O no hydrogen 3.001 N/A ALA 495.A N GLY 479.A O no hydrogen 3.420 N/A SER 496.A N SER 386.A O no hydrogen 2.833 N/A SER 496.A OG ASN 494.A O no hydrogen 3.167 N/A GLU 498.A N GLN 564.A OE1 no hydrogen 2.719 N/A ALA 499.A N ASP 480.A OD2 no hydrogen 3.017 N/A ALA 501.A N GLU 498.A O no hydrogen 2.936 N/A GLY 502.A N ALA 499.A O no hydrogen 3.029 N/A GLY 503.A N GLU 498.A O no hydrogen 2.817 N/A ALA 506.A N GLY 503.A O no hydrogen 2.953 N/A ILE 507.A N GLY 504.A O no hydrogen 3.238 N/A LEU 508.A N LEU 505.A O no hydrogen 3.376 N/A LYS 509.A N ASP 512.A OD2 no hydrogen 2.961 N/A GLY 511.A N ALA 416.A O no hydrogen 2.705 N/A ASP 512.A N LYS 509.A O no hydrogen 3.193 N/A VAL 514.A N GLY 414.A O no hydrogen 3.382 N/A ARG 515.A N ASP 524.A O no hydrogen 2.816 N/A ARG 515.A NH1 ASP 408.A OD2 no hydrogen 2.891 N/A ARG 515.A NH2 ASP 517.A OD2 no hydrogen 2.938 N/A ILE 516.A N PHE 412.A O no hydrogen 3.288 N/A ASP 517.A N THR 522.A O no hydrogen 2.966 N/A GLY 519.A N ASP 517.A OD1 no hydrogen 2.992 N/A ARG 520.A N ASP 517.A OD1 no hydrogen 3.374 N/A THR 522.A N ASP 517.A O no hydrogen 2.968 N/A ALA 523.A N ARG 380.A O no hydrogen 2.740 N/A ASP 524.A N ARG 515.A O no hydrogen 3.269 N/A ILE 525.A N ASN 382.A OD1 no hydrogen 2.846 N/A LEU 526.A N ARG 513.A O no hydrogen 2.666 N/A GLU 530.A N SER 528.A OG no hydrogen 2.927 N/A LEU 532.A N SER 528.A O no hydrogen 2.822 N/A ALA 533.A N ASP 529.A O no hydrogen 3.502 N/A GLU 534.A N GLU 530.A O no hydrogen 3.319 N/A ARG 535.A N GLU 531.A O no hydrogen 3.085 N/A ARG 535.A NE GLU 531.A OE2 no hydrogen 3.449 N/A ARG 535.A NH1 ILE 507.A O no hydrogen 2.930 N/A ARG 535.A NH1 ASP 512.A OD2 no hydrogen 2.748 N/A ARG 535.A NH2 ASP 512.A OD1 no hydrogen 3.050 N/A ARG 535.A NH2 ASP 512.A OD2 no hydrogen 3.264 N/A ARG 535.A NH2 GLU 531.A OE2 no hydrogen 3.186 N/A ARG 536.A N LEU 532.A O no hydrogen 3.197 N/A LYS 537.A N ALA 533.A O no hydrogen 2.776 N/A ALA 538.A N GLU 534.A O no hydrogen 3.027 N/A LEU 539.A N ARG 535.A O no hydrogen 3.060 N/A GLU 540.A N ARG 536.A O no hydrogen 3.033 N/A ALA 541.A N LYS 537.A O no hydrogen 2.975 N/A VAL 542.A N ALA 538.A O no hydrogen 3.086 N/A GLY 543.A N GLU 540.A O no hydrogen 3.317 N/A TYR 545.A OH ASP 420.A OD2 no hydrogen 2.553 N/A GLN 551.A N GLN 555.A OE1 no hydrogen 2.909 N/A TRP 554.A NE1 LEU 94.A O no hydrogen 2.945 N/A GLN 555.A N THR 552.A OG1 no hydrogen 3.108 N/A GLN 555.A NE2 GLN 551.A OE1 no hydrogen 3.010 N/A GLU 556.A N THR 552.A O no hydrogen 3.337 N/A ILE 557.A N PRO 553.A O no hydrogen 2.925 N/A GLN 558.A N TRP 554.A O no hydrogen 2.822 N/A GLN 558.A NE2 LEU 94.A O no hydrogen 3.018 N/A ARG 559.A N GLN 555.A O no hydrogen 2.974 N/A ARG 559.A NE ILE 450.A O no hydrogen 2.857 N/A ARG 559.A NH1 PRO 548.A O no hydrogen 2.802 N/A ARG 559.A NH1 SER 550.A OG no hydrogen 3.058 N/A ARG 559.A NH2 ILE 450.A O no hydrogen 2.952 N/A ARG 559.A NH2 GLY 451.A O no hydrogen 3.419 N/A ARG 559.A NH2 PRO 548.A O no hydrogen 3.018 N/A VAL 561.A N GLN 558.A O no hydrogen 3.079 N/A ILE 562.A N GLN 558.A O no hydrogen 2.957 N/A GLY 563.A N VAL 570.A O no hydrogen 2.954 N/A GLN 564.A NE2 GLU 498.A OE2 no hydrogen 2.920 N/A GLU 566.A N SER 496.A OG no hydrogen 2.958 N/A THR 567.A N GLN 564.A O no hydrogen 3.043 N/A THR 567.A OG1 GLN 564.A O no hydrogen 3.313 N/A GLY 568.A N MET 565.A O no hydrogen 2.979 N/A ALA 569.A N GLN 564.A O no hydrogen 2.983 N/A GLU 572.A N VAL 561.A O no hydrogen 2.864 N/A ALA 574.A N LEU 571.A O no hydrogen 2.909 N/A LYS 576.A NZ ASN 573.A O no hydrogen 2.737 N/A TYR 577.A N ALA 574.A O no hydrogen 3.104 N/A GLN 578.A NE2 ARG 282.A O no hydrogen 3.178 N/A GLN 578.A NE2 HIS 283.A O no hydrogen 3.269 N/A GLN 578.A NE2 VAL 575.A O no hydrogen 2.781 N/A ILE 580.A N THR 134.A O no hydrogen 3.035 N/A ALA 581.A N VAL 135.A O no hydrogen 3.165 N/A HIS 582.A N ASP 579.A O no hydrogen 3.048 N/A HIS 582.A ND1 ASP 579.A OD1 no hydrogen 2.551 N/A THR 583.A N ASP 579.A O no hydrogen 2.903 N/A THR 583.A OG1 GLN 578.A O no hydrogen 2.895 N/A THR 583.A OG1 ASP 579.A O no hydrogen 2.959 N/A LEU 586.A N THR 583.A O no hydrogen 3.360 N/A