Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5icr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLN 6.A O no hydrogen 2.886 N/A LYS 8.A N ILE 2.A O no hydrogen 3.368 N/A VAL 16.A N SER 14.A OG no hydrogen 3.294 N/A HIS 18.A N.A SER 14.A O no hydrogen 3.344 N/A HIS 18.A N.B SER 14.A O no hydrogen 3.365 N/A HIS 18.A ND1.B SER 14.A O no hydrogen 2.665 N/A VAL 19.A N ILE 15.A O no hydrogen 2.887 N/A GLU 20.A N VAL 16.A O no hydrogen 2.917 N/A ARG 21.A N ALA 17.A O no hydrogen 2.947 N/A ARG 21.A NH1 ASP 11.A OD2 no hydrogen 3.267 N/A TRP 22.A N.A HIS 18.A O.A no hydrogen 2.993 N/A TRP 22.A N.A HIS 18.A O.B no hydrogen 2.890 N/A TRP 22.A N.B HIS 18.A O.A no hydrogen 3.032 N/A TRP 22.A N.B HIS 18.A O.B no hydrogen 2.931 N/A ALA 23.A N VAL 19.A O no hydrogen 2.834 N/A LYS 24.A N GLU 20.A O no hydrogen 3.223 N/A LYS 24.A NZ GLU 20.A O no hydrogen 3.446 N/A LYS 24.A NZ GLU 20.A OE1 no hydrogen 3.277 N/A ARG 26.A NH2 GLY 236.A O no hydrogen 3.014 N/A LYS 29.A N ARG 26.A O no hydrogen 2.930 N/A ALA 31.A N LEU 48.A O no hydrogen 2.876 N/A TYR 32.A N LEU 48.A O no hydrogen 3.123 N/A TYR 32.A OH ALA 229.A O no hydrogen 2.751 N/A ARG 33.A N PHE 239.A O no hydrogen 2.909 N/A ARG 33.A NE ASP 47.A OD1 no hydrogen 2.875 N/A ARG 33.A NH2 ASP 47.A OD2 no hydrogen 3.111 N/A PHE 34.A N ARG 46.A O no hydrogen 2.768 N/A LEU 35.A N PHE 241.A O no hydrogen 2.867 N/A ASP 36.A N VAL 44.A O no hydrogen 2.997 N/A SER 38.A N ASP 36.A OD1 no hydrogen 2.989 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.725 N/A GLY 43.A N GLU 40.A O no hydrogen 2.996 N/A VAL 44.A N ASP 36.A O no hydrogen 2.904 N/A ARG 46.A N PHE 34.A O no hydrogen 2.762 N/A ARG 46.A NE ASP 36.A OD2 no hydrogen 2.846 N/A ARG 46.A NH2 ASP 36.A OD2 no hydrogen 2.896 N/A LEU 48.A N TYR 32.A O no hydrogen 2.898 N/A THR 49.A N GLN 52.A OE1 no hydrogen 3.094 N/A THR 49.A OG1 GLY 27.A O no hydrogen 3.568 N/A TRP 50.A N LYS 29.A O no hydrogen 3.014 N/A ALA 51.A N GLY 27.A O no hydrogen 3.041 N/A GLN 52.A N THR 49.A OG1 no hydrogen 3.196 N/A PHE 53.A N THR 49.A O no hydrogen 2.881 N/A SER 54.A N TRP 50.A O no hydrogen 2.870 N/A SER 54.A OG GLU 20.A OE1 no hydrogen 3.235 N/A SER 54.A OG GLU 20.A OE2 no hydrogen 2.619 N/A ALA 55.A N ALA 51.A O no hydrogen 3.048 N/A ARG 56.A N.A GLN 52.A O no hydrogen 3.003 N/A ARG 56.A N.B GLN 52.A O no hydrogen 2.985 N/A ARG 56.A NH1.A ASP 83.A OD1 no hydrogen 2.662 N/A ARG 56.A NH1.B VAL 156.A O no hydrogen 2.672 N/A ARG 56.A NH1.B ASP 158.A OD1 no hydrogen 2.549 N/A ARG 56.A NH2.A ASP 83.A OD1 no hydrogen 2.655 N/A ARG 56.A NH2.A VAL 153.A O no hydrogen 3.294 N/A ARG 56.A NH2.B VAL 156.A O no hydrogen 2.814 N/A ASN 57.A N PHE 53.A O no hydrogen 2.892 N/A ARG 58.A N SER 54.A O no hydrogen 2.922 N/A ARG 58.A NE SER 54.A OG no hydrogen 3.005 N/A ARG 58.A NH2 SER 54.A OG no hydrogen 3.126 N/A ALA 59.A N ALA 55.A O no hydrogen 3.062 N/A VAL 60.A N ARG 56.A O.A no hydrogen 2.948 N/A VAL 60.A N ARG 56.A O.B no hydrogen 3.009 N/A ALA 61.A N ASN 57.A O no hydrogen 2.947 N/A ALA 62.A N ARG 58.A O no hydrogen 2.943 N/A ARG 63.A N ALA 59.A O no hydrogen 3.126 N/A ARG 63.A NH2 GLN 66.A OE1 no hydrogen 2.993 N/A LEU 64.A N VAL 60.A O no hydrogen 2.954 N/A GLN 65.A N ALA 61.A O no hydrogen 2.909 N/A GLN 65.A NE2 ALA 94.A O no hydrogen 3.226 N/A GLN 65.A NE2 VAL 165.A O no hydrogen 2.829 N/A GLN 66.A N ARG 63.A O no hydrogen 3.102 N/A VAL 67.A N LEU 64.A O no hydrogen 3.220 N/A THR 68.A OG1 LEU 64.A O no hydrogen 2.701 N/A GLN 69.A N ASP 72.A OD2 no hydrogen 2.832 N/A ASP 72.A N GLN 69.A O no hydrogen 3.010 N/A ARG 73.A NE CYS 120.A O no hydrogen 2.920 N/A ARG 73.A NH1 CYS 120.A O no hydrogen 3.273 N/A ARG 73.A NH2 GLY 71.A O no hydrogen 2.686 N/A VAL 74.A N ILE 97.A O no hydrogen 2.834 N/A ALA 75.A N ALA 124.A O no hydrogen 3.088 N/A ILE 76.A N VAL 99.A O no hydrogen 2.952 N/A LEU 77.A N LEU 126.A O no hydrogen 2.971 N/A CYS 78.A SG PRO 79.A O no hydrogen 3.383 N/A CYS 78.A SG ASN 81.A OD1 no hydrogen 3.794 N/A GLN 80.A NE2 LEU 218.A O no hydrogen 2.870 N/A GLN 80.A NE2 MET 242.A O no hydrogen 3.140 N/A TYR 84.A N ASN 81.A O no hydrogen 3.090 N/A TYR 84.A N ASN 81.A OD1 no hydrogen 3.058 N/A TYR 84.A OH LEU 101.A O no hydrogen 2.637 N/A VAL 86.A N LEU 82.A O no hydrogen 3.055 N/A ALA 87.A N ASP 83.A O no hydrogen 2.734 N/A PHE 88.A N TYR 84.A O no hydrogen 2.972 N/A PHE 89.A N LEU 85.A O no hydrogen 2.936 N/A GLY 90.A N VAL 86.A O no hydrogen 2.817 N/A ALA 91.A N ALA 87.A O no hydrogen 3.184 N/A LEU 92.A N PHE 88.A O no hydrogen 3.205 N/A TYR 93.A N PHE 89.A O no hydrogen 2.750 N/A TYR 93.A OH GLU 20.A OE2 no hydrogen 2.637 N/A ALA 94.A N GLY 90.A O no hydrogen 2.898 N/A GLY 95.A N LEU 92.A O no hydrogen 2.999 N/A ARG 96.A N ALA 91.A O no hydrogen 3.041 N/A ARG 96.A NE THR 68.A OG1 no hydrogen 2.666 N/A ARG 96.A NH1 THR 68.A O no hydrogen 2.801 N/A ARG 96.A NH2 GLY 95.A O no hydrogen 3.355 N/A ILE 97.A N ASP 72.A O no hydrogen 3.053 N/A ALA 98.A N ALA 176.A O no hydrogen 3.264 N/A VAL 99.A N VAL 74.A O no hydrogen 2.928 N/A LEU 101.A N ILE 76.A O no hydrogen 2.934 N/A SER 105.A N ASP 103.A OD1 no hydrogen 2.843 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.881 N/A SER 105.A OG ASP 103.A OD2 no hydrogen 3.153 N/A GLU 106.A N ASP 103.A O no hydrogen 2.932 N/A ARG 112.A N HIS 109.A ND1 no hydrogen 3.257 N/A ARG 112.A N HIS 109.A O no hydrogen 3.157 N/A LEU 113.A N HIS 109.A O no hydrogen 3.088 N/A HIS 114.A N VAL 110.A O no hydrogen 3.142 N/A ALA 115.A N GLY 111.A O no hydrogen 3.036 N/A VAL 116.A N ARG 112.A O no hydrogen 2.739 N/A LEU 117.A N LEU 113.A O no hydrogen 3.026 N/A ASP 118.A N HIS 114.A O no hydrogen 2.884 N/A ASN 119.A N VAL 116.A O no hydrogen 2.964 N/A ASN 119.A ND2 TRP 423.A O no hydrogen 3.140 N/A CYS 120.A N VAL 116.A O no hydrogen 2.984 N/A CYS 120.A SG VAL 116.A O no hydrogen 3.467 N/A HIS 121.A N LEU 117.A O no hydrogen 3.028 N/A SER 123.A N ARG 73.A O no hydrogen 2.860 N/A ILE 125.A N ARG 149.A O no hydrogen 2.863 N/A LEU 126.A N ALA 75.A O no hydrogen 2.716 N/A THR 127.A N ILE 151.A O no hydrogen 2.954 N/A THR 127.A OG1 LEU 77.A O no hydrogen 2.731 N/A THR 128.A N THR 127.A OG1 no hydrogen 2.816 N/A THR 129.A N ASP 154.A OD1 no hydrogen 2.876 N/A THR 129.A OG1 ASP 154.A OD1 no hydrogen 3.300 N/A ALA 131.A N THR 128.A OG1 no hydrogen 3.096 N/A VAL 135.A N ALA 131.A O no hydrogen 3.023 N/A ARG 136.A N ALA 132.A O no hydrogen 2.833 N/A LYS 137.A N GLU 133.A O.A no hydrogen 2.858 N/A LYS 137.A N GLU 133.A O.B no hydrogen 2.914 N/A PHE 138.A N GLY 134.A O no hydrogen 3.085 N/A PHE 139.A N VAL 135.A O no hydrogen 3.002 N/A ARG 140.A N ARG 136.A O no hydrogen 3.016 N/A ARG 140.A N LYS 137.A O no hydrogen 3.100 N/A ARG 140.A NH2 GLU 133.A OE1.A no hydrogen 3.099 N/A THR 141.A N PHE 138.A O no hydrogen 2.994 N/A THR 141.A OG1 PHE 138.A O no hydrogen 2.715 N/A ARG 142.A N PHE 139.A O no hydrogen 3.041 N/A ARG 142.A NH1 HIS 114.A ND1 no hydrogen 3.374 N/A ARG 142.A NH1 ASP 118.A OD1 no hydrogen 2.961 N/A ARG 142.A NH2 ASP 118.A OD1 no hydrogen 2.947 N/A GLN 146.A N PRO 143.A O no hydrogen 2.784 N/A ARG 147.A NE ARG 142.A O no hydrogen 3.167 N/A ARG 147.A NH1 ARG 142.A O no hydrogen 2.976 N/A ILE 151.A N ILE 125.A O no hydrogen 2.875 N/A VAL 153.A N THR 127.A O no hydrogen 2.772 N/A ALA 155.A N ALA 152.A O no hydrogen 3.082 N/A VAL 160.A N PRO 157.A O no hydrogen 3.139 N/A ALA 161.A N ASP 158.A O no hydrogen 2.902 N/A SER 162.A N ASP 159.A O no hydrogen 3.134 N/A SER 162.A OG ASP 159.A O no hydrogen 3.137 N/A THR 163.A N VAL 160.A O no hydrogen 3.472 N/A THR 163.A OG1 VAL 160.A O no hydrogen 2.952 N/A TRP 164.A N ALA 161.A O no hydrogen 2.967 N/A TRP 164.A NE1 TYR 93.A O no hydrogen 3.010 N/A VAL 165.A N GLN 65.A OE1 no hydrogen 3.019 N/A ASP 171.A N THR 174.A OG1 no hydrogen 3.064 N/A THR 173.A N ASP 171.A OD1 no hydrogen 2.781 N/A THR 173.A OG1 ASP 171.A OD1 no hydrogen 2.675 N/A THR 174.A N ASP 171.A OD1 no hydrogen 3.189 N/A THR 174.A OG1 ASP 171.A OD1 no hydrogen 3.074 N/A ALA 176.A N ILE 190.A O no hydrogen 2.801 N/A TYR 177.A N ILE 190.A O no hydrogen 3.076 N/A LEU 178.A N ALA 98.A O no hydrogen 2.974 N/A GLN 179.A N VAL 188.A O no hydrogen 2.881 N/A TYR 180.A OH ASN 119.A OD1 no hydrogen 2.660 N/A THR 181.A N THR 186.A O no hydrogen 3.394 N/A THR 181.A OG1 THR 186.A OG1 no hydrogen 3.074 N/A THR 186.A OG1 THR 181.A OG1 no hydrogen 3.074 N/A VAL 188.A N GLN 179.A O no hydrogen 2.927 N/A GLN 189.A N GLY 421.A O no hydrogen 2.860 N/A GLN 189.A NE2 THR 420.A OG1 no hydrogen 3.001 N/A ILE 190.A N TYR 177.A O no hydrogen 2.946 N/A THR 191.A N ASN 194.A OD1 no hydrogen 2.967 N/A HIS 192.A N THR 174.A O no hydrogen 3.198 N/A ASN 194.A N THR 191.A OG1 no hydrogen 2.880 N/A ASN 194.A ND2 GLN 416.A O no hydrogen 2.840 N/A ASN 194.A ND2 MET 418.A O no hydrogen 2.836 N/A LEU 195.A N THR 191.A O no hydrogen 3.021 N/A ALA 196.A N HIS 192.A O no hydrogen 2.924 N/A THR 197.A N LEU 193.A O no hydrogen 2.808 N/A THR 197.A OG1 LEU 193.A O no hydrogen 2.787 N/A THR 197.A OG1 GLN 416.A OE1 no hydrogen 3.476 N/A ASN 198.A N ASN 194.A O no hydrogen 3.004 N/A ASN 198.A ND2 GLN 201.A OE1 no hydrogen 2.806 N/A ASN 198.A ND2 PHE 342.A O no hydrogen 3.050 N/A VAL 199.A N LEU 195.A O no hydrogen 2.981 N/A VAL 200.A N ALA 196.A O no hydrogen 3.121 N/A GLN 201.A N THR 197.A O no hydrogen 2.908 N/A GLN 201.A NE2 ILE 388.A O no hydrogen 2.950 N/A GLN 201.A NE2 ASN 417.A OD1 no hydrogen 3.075 N/A VAL 202.A N ASN 198.A O no hydrogen 2.850 N/A ILE 203.A N VAL 199.A O no hydrogen 2.990 N/A GLU 204.A N VAL 200.A O no hydrogen 2.975 N/A ALA 205.A N GLN 201.A O no hydrogen 3.145 N/A LEU 206.A N VAL 202.A O no hydrogen 2.838 N/A GLU 207.A N ILE 203.A O no hydrogen 3.273 N/A GLU 209.A N ASP 212.A OD2 no hydrogen 2.998 N/A ASP 212.A N GLU 209.A O no hydrogen 3.286 N/A ARG 213.A N GLY 267.A O no hydrogen 2.982 N/A ARG 213.A NE ASP 264.A OD1 no hydrogen 3.209 N/A ARG 213.A NH1 GLU 257.A O no hydrogen 2.973 N/A ARG 213.A NH2 ALA 259.A O no hydrogen 3.169 N/A ARG 213.A NH2 ASP 264.A OD1 no hydrogen 3.521 N/A ARG 213.A NH2 ASP 264.A OD2 no hydrogen 2.885 N/A LEU 215.A N ILE 269.A O no hydrogen 3.143 N/A SER 216.A N THR 240.A O no hydrogen 3.047 N/A LEU 218.A N SER 216.A OG no hydrogen 2.919 N/A PHE 220.A N GLN 80.A OE1 no hydrogen 2.727 N/A HIS 222.A N PRO 219.A O no hydrogen 3.250 N/A GLY 225.A N HIS 222.A O no hydrogen 3.093 N/A LEU 226.A N HIS 222.A O no hydrogen 3.027 N/A ILE 227.A N ASP 223.A O no hydrogen 3.023 N/A THR 228.A OG1 MET 224.A O no hydrogen 2.619 N/A ALA 229.A N GLY 225.A O no hydrogen 3.230 N/A LEU 230.A N LEU 226.A O no hydrogen 2.966 N/A LEU 231.A N ILE 227.A O no hydrogen 3.018 N/A ALA 232.A N THR 228.A O no hydrogen 2.897 N/A MET 234.A N.A LEU 231.A O no hydrogen 2.961 N/A MET 234.A N.B LEU 231.A O no hydrogen 2.958 N/A ILE 235.A N ALA 232.A O no hydrogen 3.271 N/A GLY 236.A N PRO 233.A O no hydrogen 3.236 N/A PHE 239.A N ALA 31.A O no hydrogen 3.041 N/A THR 240.A N GLY 214.A O no hydrogen 3.114 N/A PHE 241.A N ARG 33.A O no hydrogen 2.961 N/A MET 242.A N SER 216.A O no hydrogen 3.168 N/A ALA 246.A N THR 243.A OG1 no hydrogen 2.966 N/A PHE 247.A N THR 243.A O no hydrogen 3.194 N/A VAL 248.A N PRO 244.A O no hydrogen 2.835 N/A ARG 249.A N ALA 245.A O no hydrogen 3.003 N/A ARG 250.A N ALA 246.A O no hydrogen 3.229 N/A ARG 253.A N ARG 250.A O no hydrogen 2.998 N/A ARG 253.A NH1 ALA 246.A O no hydrogen 2.967 N/A ARG 253.A NH2 ARG 41.A O no hydrogen 2.948 N/A TRP 254.A N PRO 251.A O no hydrogen 3.006 N/A TRP 254.A NE1 SER 270.A OG no hydrogen 2.922 N/A ILE 255.A N PRO 251.A O no hydrogen 3.340 N/A ARG 256.A N.A GLU 252.A O no hydrogen 2.775 N/A ARG 256.A N.B GLU 252.A O no hydrogen 2.746 N/A ARG 256.A NE.B GLU 252.A OE2 no hydrogen 2.815 N/A ARG 256.A NH1.A PRO 291.A O no hydrogen 3.166 N/A ARG 256.A NH1.A PRO 292.A O no hydrogen 2.643 N/A ARG 256.A NH1.B PRO 291.A O no hydrogen 3.183 N/A ARG 256.A NH1.B PRO 292.A O no hydrogen 3.339 N/A ARG 256.A NH2.A PRO 291.A O no hydrogen 3.398 N/A ARG 256.A NH2.B GLU 252.A OE2 no hydrogen 3.287 N/A ARG 256.A NH2.B PRO 291.A O no hydrogen 3.265 N/A GLU 257.A N ARG 253.A O no hydrogen 3.190 N/A LEU 258.A N TRP 254.A O no hydrogen 3.029 N/A ALA 259.A N ILE 255.A O no hydrogen 3.088 N/A ARG 260.A N ASP 294.A O no hydrogen 2.936 N/A ARG 260.A NE ASP 294.A OD2 no hydrogen 2.724 N/A ARG 260.A NH2 SER 296.A OG no hydrogen 2.944 N/A LYS 261.A N ASP 264.A OD2 no hydrogen 2.932 N/A LYS 261.A NZ GLU 257.A OE1 no hydrogen 3.387 N/A LYS 261.A NZ GLU 257.A OE2 no hydrogen 2.823 N/A ASP 264.A N LYS 261.A O no hydrogen 3.306 N/A GLY 267.A N ASP 212.A OD1 no hydrogen 2.828 N/A THR 268.A OG1 LEU 258.A O no hydrogen 2.790 N/A ILE 269.A N ARG 213.A O no hydrogen 2.948 N/A SER 270.A N ALA 300.A O no hydrogen 3.051 N/A SER 270.A OG LEU 215.A O no hydrogen 2.682 N/A VAL 271.A N SER 270.A OG no hydrogen 2.758 N/A ALA 272.A N LEU 302.A O no hydrogen 2.781 N/A ASN 274.A ND2 THR 312.A OG1 no hydrogen 3.233 N/A PHE 275.A N GLU 306.A OE2 no hydrogen 2.815 N/A ALA 276.A N PRO 273.A O no hydrogen 3.069 N/A PHE 277.A N ASN 274.A O no hydrogen 3.039 N/A HIS 279.A N PHE 275.A O no hydrogen 3.103 N/A HIS 279.A NE2 VAL 248.A O no hydrogen 2.822 N/A ALA 280.A N ALA 276.A O no hydrogen 2.980 N/A ALA 281.A N PHE 277.A O no hydrogen 2.991 N/A ALA 282.A N ASP 278.A O no hydrogen 3.045 N/A ARG 283.A N HIS 279.A O no hydrogen 3.005 N/A GLY 284.A N ALA 280.A O no hydrogen 2.671 N/A SER 290.A N LYS 287.A O no hydrogen 3.222 N/A SER 290.A OG LYS 287.A O no hydrogen 2.565 N/A LEU 295.A N PHE 323.A O no hydrogen 2.920 N/A SER 296.A N ASP 294.A OD1 no hydrogen 3.186 N/A SER 296.A OG ASP 294.A OD1 no hydrogen 2.669 N/A SER 296.A OG ASP 294.A OD2 no hydrogen 3.522 N/A ASN 297.A ND2 LEU 258.A O no hydrogen 2.988 N/A VAL 298.A N LEU 295.A O no hydrogen 3.337 N/A LYS 299.A N THR 268.A O no hydrogen 2.863 N/A LYS 299.A NZ GLU 207.A O no hydrogen 3.139 N/A LYS 299.A NZ ASP 212.A OD2 no hydrogen 2.999 N/A ALA 300.A N THR 268.A O no hydrogen 3.242 N/A VAL 301.A N ALA 329.A O no hydrogen 2.732 N/A LEU 302.A N SER 270.A O no hydrogen 2.931 N/A ASN 303.A N LYS 331.A O no hydrogen 3.026 N/A ASN 303.A ND2 ASN 274.A OD1 no hydrogen 3.328 N/A GLY 304.A N ALA 272.A O no hydrogen 3.179 N/A SER 305.A OG GLY 304.A O no hydrogen 2.603 N/A SER 309.A N ASN 274.A OD1 no hydrogen 3.210 N/A THR 312.A N SER 309.A OG no hydrogen 3.308 N/A THR 312.A OG1 ASP 278.A OD2 no hydrogen 2.632 N/A VAL 313.A N SER 309.A O no hydrogen 3.069 N/A ARG 314.A N.A ALA 310.A O no hydrogen 3.079 N/A ARG 314.A N.B ALA 310.A O no hydrogen 3.096 N/A ARG 315.A N ALA 311.A O no hydrogen 2.911 N/A ARG 315.A NE ASP 278.A OD1 no hydrogen 2.791 N/A ARG 315.A NH1 ASP 278.A OD1 no hydrogen 3.487 N/A ARG 315.A NH1 ASP 278.A OD2 no hydrogen 3.151 N/A PHE 316.A N THR 312.A O no hydrogen 2.973 N/A ASN 317.A N VAL 313.A O no hydrogen 3.155 N/A GLU 318.A N ARG 314.A O.A no hydrogen 2.873 N/A GLU 318.A N ARG 314.A O.B no hydrogen 2.770 N/A ALA 319.A N ARG 315.A O no hydrogen 3.023 N/A PHE 320.A N PHE 316.A O no hydrogen 2.889 N/A GLY 321.A N ASN 317.A O no hydrogen 2.737 N/A PHE 323.A N PHE 320.A O no hydrogen 3.125 N/A GLY 324.A N GLY 321.A O no hydrogen 2.791 N/A PHE 325.A N PHE 320.A O no hydrogen 3.107 N/A ALA 329.A N PRO 326.A O no hydrogen 2.987 N/A ILE 330.A N PRO 327.A O no hydrogen 3.481 N/A LYS 331.A N VAL 301.A O no hydrogen 3.072 N/A LYS 331.A NZ LYS 328.A O no hydrogen 2.761 N/A LYS 331.A NZ PRO 347.A O no hydrogen 3.177 N/A LYS 331.A NZ SER 348.A O no hydrogen 2.771 N/A LYS 331.A NZ GLU 350.A O no hydrogen 2.701 N/A SER 333.A N ASN 303.A O no hydrogen 2.856 N/A SER 333.A OG LYS 331.A O no hydrogen 2.737 N/A SER 333.A OG THR 345.A OG1 no hydrogen 2.608 N/A TYR 334.A N SER 344.A O no hydrogen 2.845 N/A TYR 334.A OH ASP 460.A OD2 no hydrogen 2.611 N/A LEU 336.A N LEU 341.A O no hydrogen 3.089 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.781 N/A ALA 339.A N LEU 336.A O no hydrogen 3.064 N/A THR 340.A N ALA 337.A O no hydrogen 2.924 N/A THR 340.A OG1 ASN 417.A O no hydrogen 2.887 N/A PHE 342.A N ASN 198.A OD1 no hydrogen 2.786 N/A VAL 343.A N TYR 334.A O no hydrogen 2.998 N/A SER 344.A N TYR 334.A O no hydrogen 3.022 N/A SER 344.A OG ALA 383.A O no hydrogen 2.806 N/A THR 345.A N LYS 385.A O no hydrogen 3.198 N/A THR 345.A OG1 PRO 332.A O no hydrogen 3.518 N/A THR 345.A OG1 SER 333.A OG no hydrogen 2.608 N/A THR 346.A N PRO 332.A O no hydrogen 3.268 N/A THR 346.A OG1 PRO 332.A O no hydrogen 3.092 N/A GLU 350.A N PRO 347.A O no hydrogen 3.110 N/A ILE 355.A N GLN 380.A O no hydrogen 2.921 N/A THR 356.A OG1 VAL 370.A O no hydrogen 2.791 N/A VAL 357.A N VAL 378.A O no hydrogen 2.764 N/A ASP 358.A N VAL 368.A O no hydrogen 2.835 N/A ARG 359.A N LYS 376.A O no hydrogen 2.756 N/A ARG 359.A NE ASP 490.A OD2 no hydrogen 2.866 N/A ARG 359.A NH1 ALA 377.A O no hydrogen 3.418 N/A ARG 359.A NH1 ASP 490.A OD1 no hydrogen 3.118 N/A ARG 359.A NH2 PRO 375.A O no hydrogen 3.241 N/A GLN 361.A N ASP 358.A OD1 no hydrogen 3.049 N/A LEU 362.A N ASP 358.A O no hydrogen 2.926 N/A ASN 363.A N ARG 359.A O no hydrogen 2.853 N/A SER 364.A N ASP 360.A O no hydrogen 2.973 N/A SER 364.A OG ASP 360.A O no hydrogen 3.270 N/A SER 364.A OG GLN 361.A O no hydrogen 3.119 N/A GLY 365.A N LEU 362.A O no hydrogen 2.958 N/A ARG 366.A N GLN 361.A O no hydrogen 2.912 N/A ILE 367.A N GLY 406.A O no hydrogen 2.750 N/A VAL 370.A N THR 356.A O no hydrogen 2.910 N/A ASP 373.A N ASP 371.A OD1 no hydrogen 3.227 N/A SER 374.A N ASP 371.A O no hydrogen 3.115 N/A LYS 376.A N SER 374.A OG no hydrogen 3.209 N/A LYS 376.A NZ ASP 360.A OD2 no hydrogen 3.155 N/A ALA 377.A N SER 374.A O no hydrogen 3.231 N/A VAL 378.A N VAL 357.A O no hydrogen 2.823 N/A GLN 380.A N ILE 355.A O no hydrogen 2.701 N/A SER 382.A N LYS 353.A O no hydrogen 2.915 N/A ALA 383.A N LEU 469.A O no hydrogen 2.760 N/A GLY 384.A N SER 382.A OG no hydrogen 2.780 N/A LYS 385.A N THR 345.A O no hydrogen 3.003 N/A LYS 385.A NZ GLY 467.A O no hydrogen 2.615 N/A GLY 387.A N VAL 343.A O no hydrogen 2.800 N/A TRP 391.A N SER 414.A O no hydrogen 2.830 N/A TRP 391.A NE1 GLU 447.A O no hydrogen 2.806 N/A VAL 393.A N TRP 412.A O no hydrogen 2.991 N/A VAL 395.A N GLU 410.A O.A no hydrogen 2.873 N/A VAL 395.A N GLU 410.A O.B no hydrogen 2.872 N/A ASP 396.A N THR 401.A O no hydrogen 2.954 N/A SER 399.A N ASP 396.A OD2 no hydrogen 3.109 N/A SER 399.A OG ASP 396.A O no hydrogen 3.541 N/A SER 399.A OG ASP 396.A OD2 no hydrogen 2.600 N/A SER 399.A OG THR 401.A OG1 no hydrogen 3.016 N/A ALA 400.A N ALA 397.A O no hydrogen 3.149 N/A THR 401.A N ASP 396.A O no hydrogen 3.439 N/A THR 401.A OG1 SER 399.A O no hydrogen 2.863 N/A THR 401.A OG1 SER 399.A OG no hydrogen 3.016 N/A GLU 402.A N SER 439.A O no hydrogen 2.853 N/A LEU 403.A N ILE 394.A O no hydrogen 2.842 N/A GLY 406.A N PHE 464.A O no hydrogen 2.821 N/A GLN 407.A N PRO 404.A O no hydrogen 3.374 N/A VAL 408.A N GLY 365.A O no hydrogen 2.929 N/A GLY 409.A N GLY 462.A O no hydrogen 3.070 N/A GLU 410.A N.A VAL 395.A O no hydrogen 2.920 N/A GLU 410.A N.B VAL 395.A O no hydrogen 2.902 N/A ILE 411.A N ASP 460.A O no hydrogen 2.884 N/A TRP 412.A N VAL 393.A O no hydrogen 2.999 N/A TRP 412.A NE1 GLU 410.A OE2.A no hydrogen 2.824 N/A ILE 413.A N VAL 456.A O no hydrogen 3.015 N/A SER 414.A N TRP 391.A O no hydrogen 2.960 N/A SER 414.A OG THR 454.A O no hydrogen 2.805 N/A ASN 417.A ND2 ALA 339.A O no hydrogen 3.129 N/A ASN 417.A ND2 GLU 390.A OE2 no hydrogen 2.969 N/A MET 418.A N GLY 415.A O no hydrogen 3.069 N/A GLY 419.A N GLU 338.A O no hydrogen 2.821 N/A THR 420.A N GLN 189.A O no hydrogen 3.110 N/A TYR 422.A N SER 429.A OG no hydrogen 2.853 N/A TYR 422.A OH GLU 338.A OE2 no hydrogen 2.461 N/A TRP 423.A N GLY 187.A O no hydrogen 2.848 N/A LYS 425.A N TYR 422.A O no hydrogen 3.186 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.738 N/A GLU 428.A N GLU 428.A OE2 no hydrogen 2.721 N/A SER 429.A N LYS 425.A O no hydrogen 2.926 N/A SER 429.A OG LYS 425.A O no hydrogen 2.711 N/A VAL 430.A N PRO 426.A O no hydrogen 2.991 N/A ALA 431.A N GLU 427.A O no hydrogen 3.156 N/A THR 432.A N GLU 428.A O no hydrogen 3.120 N/A THR 432.A OG1 GLU 428.A O no hydrogen 3.449 N/A PHE 433.A N SER 429.A O no hydrogen 2.878 N/A GLN 434.A N.A VAL 430.A O no hydrogen 2.974 N/A GLN 434.A N.B VAL 430.A O no hydrogen 2.967 N/A ASN 435.A N TRP 455.A O no hydrogen 3.058 N/A ASN 435.A ND2 ALA 431.A O no hydrogen 2.956 N/A ASN 435.A ND2 TRP 455.A O no hydrogen 3.014 N/A LYS 438.A N ALA 400.A O no hydrogen 3.038 N/A SER 439.A N ALA 400.A O no hydrogen 3.421 N/A ARG 440.A NH2 ALA 449.A O no hydrogen 2.722 N/A THR 441.A N GLU 402.A OE1 no hydrogen 3.110 N/A THR 441.A OG1 PRO 443.A O.A no hydrogen 2.651 N/A SER 444.A OG.A GLU 402.A OE1 no hydrogen 2.544 N/A SER 444.A OG.A GLU 402.A OE2 no hydrogen 3.480 N/A SER 444.A OG.B GLU 402.A OE1 no hydrogen 2.980 N/A HIS 445.A N GLU 402.A OE2 no hydrogen 2.883 N/A HIS 445.A NE2 ASP 405.A OD1 no hydrogen 2.794 N/A ALA 446.A N SER 444.A OG.A no hydrogen 2.866 N/A ALA 446.A N SER 444.A OG.B no hydrogen 3.089 N/A GLU 447.A N SER 444.A O.A no hydrogen 3.082 N/A ALA 449.A N ALA 446.A O no hydrogen 2.897 N/A THR 450.A OG1 ASP 452.A OD1 no hydrogen 2.924 N/A ALA 453.A N THR 450.A O no hydrogen 3.229 N/A TRP 455.A N ASN 435.A O no hydrogen 2.861 N/A VAL 456.A N ILE 413.A O no hydrogen 2.832 N/A ARG 457.A N.A THR 432.A O no hydrogen 2.920 N/A ARG 457.A N.B THR 432.A O no hydrogen 2.884 N/A ARG 457.A NE.B GLU 410.A OE1.B no hydrogen 3.056 N/A ARG 457.A NE.B GLU 410.A OE2.A no hydrogen 2.780 N/A ARG 457.A NH1.B GLU 410.A OE1.B no hydrogen 2.646 N/A ARG 457.A NH1.B GLU 410.A OE2.A no hydrogen 2.931 N/A ARG 457.A NH1.B GLU 410.A OE2.B no hydrogen 2.847 N/A THR 458.A N ILE 411.A O no hydrogen 3.312 N/A THR 458.A OG1 ILE 411.A O no hydrogen 2.645 N/A GLY 459.A N GLU 410.A OE1.A no hydrogen 2.789 N/A ASP 460.A N THR 458.A OG1 no hydrogen 3.087 N/A TYR 461.A N GLY 473.A O no hydrogen 2.839 N/A GLY 462.A N GLY 409.A O no hydrogen 2.918 N/A ALA 463.A N TYR 470.A O no hydrogen 2.941 N/A TYR 465.A N ASP 468.A O no hydrogen 2.937 N/A TYR 465.A OH GLU 369.A OE1 no hydrogen 2.472 N/A ASP 468.A N TYR 465.A O no hydrogen 3.159 N/A LEU 469.A N GLY 384.A O no hydrogen 3.065 N/A TYR 470.A N ALA 463.A O no hydrogen 2.783 N/A THR 472.A N TYR 461.A O no hydrogen 2.934 N/A THR 472.A OG1 TYR 487.A OH no hydrogen 2.959 N/A VAL 475.A N GLY 459.A O no hydrogen 2.950 N/A ASP 477.A N ARG 474.A O no hydrogen 2.978 N/A LEU 478.A N VAL 475.A O no hydrogen 3.309 N/A VAL 479.A N HIS 486.A O no hydrogen 3.111 N/A ILE 481.A N ARG 484.A O no hydrogen 2.946 N/A ARG 484.A N ILE 481.A O no hydrogen 3.153 N/A ARG 484.A NH1 HIS 556.A O no hydrogen 3.261 N/A ARG 484.A NH2 HIS 556.A O no hydrogen 3.059 N/A ASN 485.A ND2 ASN 363.A O no hydrogen 3.036 N/A HIS 486.A N VAL 479.A O no hydrogen 2.760 N/A TYR 487.A OH THR 472.A OG1 no hydrogen 2.959 N/A GLN 489.A N GLN 489.A OE1 no hydrogen 2.758 N/A GLN 489.A NE2 THR 472.A O no hydrogen 2.667 N/A ASP 490.A N TYR 487.A O no hydrogen 3.076 N/A LEU 491.A N TYR 487.A O no hydrogen 3.193 N/A GLU 492.A N PRO 488.A O no hydrogen 2.831 N/A TYR 493.A N GLN 489.A O no hydrogen 3.066 N/A SER 494.A N ASP 490.A O no hydrogen 3.233 N/A SER 494.A OG ASP 490.A O no hydrogen 3.341 N/A SER 494.A OG HIS 556.A NE2 no hydrogen 2.746 N/A ALA 495.A N LEU 491.A O no hydrogen 3.050 N/A GLN 496.A N GLU 492.A O no hydrogen 2.981 N/A GLU 497.A N TYR 493.A O no hydrogen 2.960 N/A ALA 498.A N SER 494.A O no hydrogen 3.087 N/A ALA 498.A N ALA 495.A O no hydrogen 3.199 N/A SER 499.A N GLN 496.A O no hydrogen 3.410 N/A ALA 501.A N SER 499.A OG no hydrogen 3.253 N/A ILE 502.A N SER 499.A O no hydrogen 3.240 N/A ARG 503.A N GLU 534.A O no hydrogen 3.006 N/A ARG 503.A NH1 GLU 534.A OE1 no hydrogen 2.908 N/A ARG 503.A NH1 ASP 604.A OD2 no hydrogen 2.978 N/A ARG 503.A NH2 ASP 604.A OD1 no hydrogen 3.366 N/A GLY 505.A N GLN 496.A OE1 no hydrogen 2.912 N/A TYR 506.A N ARG 503.A O no hydrogen 3.025 N/A ALA 508.A N VAL 532.A O no hydrogen 2.872 N/A ALA 509.A N GLU 492.A OE2 no hydrogen 2.798 N/A PHE 510.A N VAL 530.A O no hydrogen 3.213 N/A SER 511.A OG GLU 527.A OE2 no hydrogen 2.658 N/A VAL 512.A N GLN 528.A O no hydrogen 3.006 N/A ALA 514.A N SER 526.A O no hydrogen 2.805 N/A GLN 516.A N PRO 513.A O no hydrogen 2.870 N/A LEU 517.A N ALA 514.A O no hydrogen 3.204 N/A ASP 523.A N ASP 521.A OD1 no hydrogen 3.099 N/A SER 526.A N ASP 524.A OD1 no hydrogen 3.070 N/A SER 526.A OG ASP 524.A OD1 no hydrogen 2.793 N/A GLN 528.A N VAL 512.A O no hydrogen 2.808 N/A GLN 528.A NE2 SER 526.A OG no hydrogen 2.943 N/A VAL 530.A N PHE 510.A O no hydrogen 2.875 N/A ILE 531.A N ASP 562.A O no hydrogen 2.984 N/A VAL 532.A N ALA 508.A O no hydrogen 2.897 N/A ALA 533.A N LEU 564.A O no hydrogen 2.877 N/A GLU 534.A N TYR 506.A O no hydrogen 2.947 N/A ARG 535.A N THR 566.A O no hydrogen 3.004 N/A ARG 535.A NH1 LEU 539.A O no hydrogen 2.272 N/A ALA 536.A N ALA 501.A O no hydrogen 2.707 N/A THR 545.A N ILE 541.A O no hydrogen 2.926 N/A THR 545.A OG1 ILE 541.A O no hydrogen 2.711 N/A ASP 546.A N GLY 542.A O no hydrogen 3.012 N/A ASP 547.A N PRO 543.A O no hydrogen 3.024 N/A ILE 548.A N ILE 544.A O no hydrogen 3.022 N/A ARG 549.A N THR 545.A O no hydrogen 2.783 N/A ARG 549.A NE VAL 560.A O no hydrogen 2.926 N/A ARG 549.A NH2 VAL 560.A O no hydrogen 3.033 N/A ALA 550.A N ASP 546.A O no hydrogen 2.908 N/A ALA 551.A N ASP 547.A O no hydrogen 3.004 N/A ILE 552.A N ILE 548.A O no hydrogen 3.059 N/A ALA 553.A N ARG 549.A O no hydrogen 2.996 N/A VAL 554.A N ALA 550.A O no hydrogen 3.152 N/A ARG 555.A N ALA 551.A O no hydrogen 3.261 N/A ARG 555.A NH1 SER 494.A OG no hydrogen 2.955 N/A HIS 556.A N ILE 552.A O no hydrogen 2.869 N/A HIS 556.A NE2 SER 494.A OG no hydrogen 2.746 N/A GLY 557.A N ALA 553.A O no hydrogen 2.969 N/A ARG 561.A N LEU 529.A O no hydrogen 2.941 N/A ARG 561.A NE GLN 528.A OE1 no hydrogen 2.818 N/A ARG 561.A NH2 GLN 528.A OE1 no hydrogen 3.556 N/A LEU 564.A N ILE 531.A O no hydrogen 2.804 N/A THR 566.A N ALA 533.A O no hydrogen 2.973 N/A THR 566.A OG1 ALA 567.A O no hydrogen 3.134 N/A GLY 569.A N GLU 534.A OE1 no hydrogen 2.957 N/A ALA 570.A N ALA 567.A O no hydrogen 3.180 N/A ILE 571.A N GLU 534.A OE2 no hydrogen 2.810 N/A ARG 573.A N ASN 600.A OD1 no hydrogen 2.921 N/A ARG 573.A NE GLY 577.A O no hydrogen 2.937 N/A ARG 573.A NH2 GLY 577.A O no hydrogen 2.986 N/A THR 574.A N LYS 578.A O no hydrogen 2.861 N/A SER 575.A OG SER 182.A O no hydrogen 3.263 N/A SER 576.A N THR 574.A OG1 no hydrogen 3.422 N/A GLY 577.A N THR 574.A O no hydrogen 3.022 N/A LYS 578.A N THR 574.A OG1 no hydrogen 3.242 N/A LYS 578.A NZ SER 305.A O no hydrogen 2.793 N/A GLY 580.A N PRO 572.A O no hydrogen 2.992 N/A ARG 581.A NE GLU 492.A OE1 no hydrogen 3.449 N/A ARG 581.A NE GLU 492.A OE2 no hydrogen 2.863 N/A ARG 581.A NH2 GLU 492.A OE1 no hydrogen 2.743 N/A ARG 582.A NE ASP 477.A OD1 no hydrogen 3.275 N/A CYS 584.A N GLY 580.A O no hydrogen 2.828 N/A ARG 585.A N ARG 581.A O no hydrogen 2.946 N/A ARG 585.A NE SER 511.A O no hydrogen 2.790 N/A ALA 586.A N ARG 582.A O no hydrogen 2.940 N/A ALA 587.A N ALA 583.A O no hydrogen 2.924 N/A TYR 588.A N CYS 584.A O no hydrogen 2.822 N/A TYR 588.A OH ASP 562.A OD2 no hydrogen 2.548 N/A LEU 589.A N ARG 585.A O no hydrogen 2.917 N/A ASP 590.A N ALA 586.A O no hydrogen 2.872 N/A SER 592.A N ASP 590.A OD1 no hydrogen 2.917 N/A SER 592.A OG ASP 590.A OD1 no hydrogen 2.903 N/A LEU 593.A N ALA 587.A O no hydrogen 3.154 N/A ARG 594.A NH1 ASP 562.A OD2 no hydrogen 3.137 N/A GLY 596.A N LEU 593.A O no hydrogen 3.135 N/A LYS 597.A N SER 592.A O no hydrogen 2.982 N/A ASN 600.A ND2 GLY 569.A O no hydrogen 2.972 N/A ASN 600.A ND2 ILE 571.A O no hydrogen 2.876 N/A THR 606.A N ASP 604.A OD1 no hydrogen 3.068 N/A THR 606.A OG1 ASP 604.A OD1 no hydrogen 2.891 N/A