Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1upa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N SER 161.A O no hydrogen 2.971 N/A ALA 4.A N THR 2.A OG1 no hydrogen 3.228 N/A ALA 6.A N THR 2.A O no hydrogen 3.057 N/A LEU 7.A N ALA 3.A O no hydrogen 2.919 N/A LEU 8.A N ALA 4.A O no hydrogen 3.155 N/A SER 9.A N HIS 5.A O no hydrogen 2.785 N/A ARG 10.A N ALA 6.A O no hydrogen 3.137 N/A ARG 10.A NE ASP 137.A OD1 no hydrogen 2.742 N/A ARG 10.A NE ASP 137.A OD2 no hydrogen 3.377 N/A ARG 10.A NH1 ASP 13.A OD2 no hydrogen 2.981 N/A ARG 10.A NH1 PRO 169.A O no hydrogen 2.845 N/A ARG 10.A NH2 ASP 137.A OD1 no hydrogen 3.364 N/A ARG 10.A NH2 ASP 137.A OD2 no hydrogen 2.838 N/A ARG 10.A NH2 PRO 169.A O no hydrogen 3.272 N/A ARG 10.A NH2 PRO 170.A O no hydrogen 3.435 N/A LEU 11.A N LEU 7.A O no hydrogen 2.966 N/A ARG 12.A N LEU 8.A O no hydrogen 2.972 N/A ARG 12.A NH1 VAL 16.A O no hydrogen 3.428 N/A ASP 13.A N SER 9.A O no hydrogen 3.001 N/A HIS 14.A N ARG 10.A O no hydrogen 3.348 N/A HIS 14.A NE2 ASP 137.A OD1 no hydrogen 2.939 N/A GLY 15.A N ARG 12.A O no hydrogen 2.884 N/A VAL 16.A N LEU 11.A O no hydrogen 3.066 N/A LYS 18.A NZ ASP 39.A OD2 no hydrogen 3.007 N/A VAL 19.A N ASP 39.A O no hydrogen 2.949 N/A PHE 20.A N ALA 65.A O no hydrogen 3.202 N/A GLY 21.A N VAL 41.A O no hydrogen 3.039 N/A VAL 22.A N TRP 67.A O no hydrogen 3.194 N/A GLY 24.A N GLU 26.A OE2 no hydrogen 2.850 N/A ARG 25.A NH1 GLU 98.A OE2 no hydrogen 2.900 N/A ARG 25.A NH2 GLU 98.A OE1 no hydrogen 2.865 N/A ARG 25.A NH2 GLU 98.A OE2 no hydrogen 3.454 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.814 N/A ALA 27.A N GLY 24.A O no hydrogen 2.996 N/A ALA 28.A N ARG 25.A O no hydrogen 3.184 N/A SER 29.A N GLU 26.A O no hydrogen 2.819 N/A SER 29.A OG VAL 156.A O no hydrogen 2.733 N/A ILE 30.A N GLU 26.A O no hydrogen 2.925 N/A LEU 31.A N GLU 34.A OE2 no hydrogen 3.110 N/A PHE 32.A N GLU 34.A OE1 no hydrogen 2.805 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.920 N/A ILE 38.A N VAL 35.A O no hydrogen 3.407 N/A ASP 39.A N GLY 17.A O no hydrogen 2.972 N/A VAL 41.A N VAL 19.A O no hydrogen 2.806 N/A THR 43.A N GLY 21.A O no hydrogen 3.059 N/A THR 43.A OG1 GLY 21.A O no hydrogen 3.548 N/A THR 43.A OG1 HIS 45.A O no hydrogen 2.867 N/A ARG 44.A N ASP 448.A OD1 no hydrogen 2.814 N/A ARG 44.A NE GLU 450.A OE1 no hydrogen 3.046 N/A ARG 44.A NH2 GLU 450.A OE1 no hydrogen 3.427 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.733 N/A PHE 47.A N HIS 45.A ND1 no hydrogen 3.228 N/A THR 48.A OG1 ASN 445.A OD1 no hydrogen 3.200 N/A THR 48.A OG1 ASP 448.A OD2 no hydrogen 2.583 N/A GLY 50.A N GLU 46.A O no hydrogen 3.036 N/A VAL 51.A N PHE 47.A O no hydrogen 2.996 N/A ALA 52.A N THR 48.A O no hydrogen 2.959 N/A ALA 53.A N ALA 49.A O no hydrogen 3.119 N/A ASP 54.A N GLY 50.A O no hydrogen 2.955 N/A VAL 55.A N VAL 51.A O no hydrogen 2.969 N/A LEU 56.A N ALA 52.A O no hydrogen 3.025 N/A ALA 57.A N ALA 53.A O no hydrogen 2.938 N/A ARG 58.A N ASP 54.A O no hydrogen 3.004 N/A ARG 58.A NH1 ASP 54.A OD1 no hydrogen 2.891 N/A ARG 58.A NH2 ASP 54.A OD2 no hydrogen 3.371 N/A ARG 58.A NH2 ASP 86.A O no hydrogen 2.968 N/A ILE 59.A N VAL 55.A O no hydrogen 3.064 N/A THR 60.A N LEU 56.A O no hydrogen 2.935 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.602 N/A GLY 61.A N ALA 57.A O no hydrogen 2.839 N/A ARG 62.A N THR 60.A OG1 no hydrogen 3.278 N/A GLN 64.A N PRO 89.A O no hydrogen 3.183 N/A GLN 64.A NE2 THR 60.A OG1 no hydrogen 3.198 N/A GLN 64.A NE2 ARG 62.A O no hydrogen 3.362 N/A CYS 66.A N ILE 91.A O no hydrogen 3.016 N/A TRP 67.A NE1 GLU 26.A OE2 no hydrogen 2.861 N/A ALA 68.A N LEU 93.A O no hydrogen 3.009 N/A THR 69.A OG1 GLU 26.A OE1 no hydrogen 2.599 N/A GLY 73.A N LEU 70.A O no hydrogen 3.168 N/A THR 74.A OG1 PRO 72.A O no hydrogen 3.145 N/A ASN 75.A N PRO 72.A O no hydrogen 2.889 N/A ASN 75.A ND2 GLU 46.A OE1 no hydrogen 2.996 N/A LEU 76.A N GLY 73.A O no hydrogen 2.917 N/A SER 77.A N THR 74.A O no hydrogen 3.257 N/A SER 77.A OG THR 74.A O no hydrogen 2.651 N/A ILE 80.A N LEU 76.A O no hydrogen 2.901 N/A ALA 81.A N SER 77.A O no hydrogen 2.795 N/A THR 82.A N THR 78.A O no hydrogen 2.956 N/A THR 82.A OG1 THR 78.A O no hydrogen 3.150 N/A SER 83.A N GLY 79.A O no hydrogen 3.067 N/A SER 83.A OG SER 88.A O no hydrogen 2.628 N/A SER 83.A OG SER 88.A OG no hydrogen 3.049 N/A VAL 84.A N ILE 80.A O no hydrogen 2.873 N/A LEU 85.A N ALA 81.A O no hydrogen 3.196 N/A ASP 86.A N THR 82.A O no hydrogen 2.919 N/A ARG 87.A NE ASP 278.A OD2 no hydrogen 2.738 N/A ARG 87.A NH1 VAL 84.A O no hydrogen 2.870 N/A ARG 87.A NH2 ASP 278.A OD1 no hydrogen 3.048 N/A ARG 87.A NH2 ASP 278.A OD2 no hydrogen 3.438 N/A SER 88.A N SER 83.A O no hydrogen 3.143 N/A SER 88.A OG ASP 54.A OD2 no hydrogen 2.511 N/A SER 88.A OG SER 83.A OG no hydrogen 3.049 N/A ILE 91.A N GLN 64.A O no hydrogen 2.753 N/A ALA 92.A N SER 150.A O no hydrogen 2.814 N/A LEU 93.A N CYS 66.A O no hydrogen 2.957 N/A ALA 94.A N ILE 152.A O no hydrogen 3.128 N/A ALA 95.A N ALA 68.A O no hydrogen 3.005 N/A GLN 96.A N LEU 154.A O no hydrogen 3.010 N/A GLN 96.A NE2 LEU 111.A O no hydrogen 2.920 N/A SER 97.A N GLN 96.A OE1 no hydrogen 2.860 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.757 N/A SER 99.A N ASP 157.A OD1 no hydrogen 2.927 N/A SER 99.A OG ASP 157.A OD1 no hydrogen 3.472 N/A SER 99.A OG ASP 157.A OD2 no hydrogen 2.618 N/A ASP 101.A N GLU 98.A O no hydrogen 2.871 N/A ASN 105.A N CYS 110.A O no hydrogen 2.790 N/A ASP 106.A N PHE 103.A O no hydrogen 2.917 N/A THR 107.A N PHE 103.A O no hydrogen 2.898 N/A THR 107.A OG1 ASP 101.A O no hydrogen 2.700 N/A CYS 110.A N THR 107.A O no hydrogen 3.007 N/A CYS 110.A SG GLN 96.A OE1 no hydrogen 3.821 N/A SER 113.A OG LEU 111.A O no hydrogen 3.442 N/A ILE 116.A N ASP 112.A O no hydrogen 3.042 N/A VAL 117.A N SER 113.A O no hydrogen 2.968 N/A ALA 118.A N VAL 114.A O no hydrogen 2.909 N/A SER 120.A OG VAL 117.A O no hydrogen 2.849 N/A SER 120.A OG ALA 118.A O no hydrogen 3.450 N/A SER 120.A OG TYR 122.A O no hydrogen 3.427 N/A LYS 121.A N PRO 149.A O no hydrogen 2.845 N/A LYS 121.A NZ ALA 142.A O no hydrogen 2.907 N/A LYS 121.A NZ PRO 146.A O no hydrogen 2.816 N/A VAL 124.A N PHE 151.A O no hydrogen 3.071 N/A LEU 126.A N SER 153.A O no hydrogen 2.833 N/A ARG 128.A NE GLU 131.A OE2 no hydrogen 2.712 N/A ARG 128.A NH2 GLU 131.A OE1 no hydrogen 3.058 N/A ARG 128.A NH2 GLU 131.A OE2 no hydrogen 3.485 N/A GLU 131.A N ARG 128.A O no hydrogen 3.014 N/A ILE 132.A N PRO 129.A O no hydrogen 3.125 N/A LEU 135.A N GLU 131.A O no hydrogen 2.997 N/A VAL 136.A N ILE 132.A O no hydrogen 2.995 N/A ASP 137.A N THR 133.A O no hydrogen 3.192 N/A SER 138.A N ASP 134.A O no hydrogen 2.858 N/A SER 138.A OG ASP 134.A O no hydrogen 3.281 N/A ALA 139.A N LEU 135.A O no hydrogen 2.916 N/A VAL 140.A N VAL 136.A O no hydrogen 2.971 N/A ASN 141.A N ASP 137.A O no hydrogen 3.011 N/A ALA 142.A N SER 138.A O no hydrogen 3.135 N/A ALA 143.A N ALA 139.A O no hydrogen 2.944 N/A THR 144.A OG1 ASN 141.A O no hydrogen 2.752 N/A GLU 145.A N VAL 178.A O no hydrogen 2.834 N/A VAL 147.A N GLU 145.A OE1 no hydrogen 3.225 N/A GLY 148.A N ALA 143.A O no hydrogen 3.258 N/A SER 150.A N VAL 90.A O no hydrogen 2.879 N/A SER 150.A OG ALA 139.A O no hydrogen 2.662 N/A PHE 151.A N TYR 122.A O no hydrogen 2.757 N/A ILE 152.A N ALA 92.A O no hydrogen 3.005 N/A SER 153.A N VAL 124.A O no hydrogen 2.856 N/A LEU 154.A N ALA 94.A O no hydrogen 2.904 N/A VAL 156.A N GLN 96.A O no hydrogen 3.035 N/A LEU 159.A N PRO 155.A O no hydrogen 2.999 N/A GLY 160.A N VAL 156.A O no hydrogen 3.232 N/A SER 161.A N LEU 158.A O no hydrogen 3.206 N/A GLU 163.A N SER 161.A OG no hydrogen 3.167 N/A ILE 165.A N SER 162.A O no hydrogen 3.121 N/A THR 173.A OG1 HIS 14.A ND1 no hydrogen 2.923 N/A LYS 176.A NZ SER 213.A O no hydrogen 2.694 N/A LYS 176.A NZ SER 213.A OG no hydrogen 3.215 N/A LYS 176.A NZ ASP 318.A OD1 no hydrogen 3.399 N/A LYS 176.A NZ ASP 318.A OD2 no hydrogen 2.760 N/A VAL 180.A N PRO 300.A O no hydrogen 2.934 N/A ALA 182.A N VAL 316.A O no hydrogen 2.959 N/A TRP 185.A N ALA 182.A O no hydrogen 3.259 N/A GLN 186.A N GLN 186.A OE1 no hydrogen 3.054 N/A ALA 188.A N GLY 184.A O no hydrogen 3.106 N/A ALA 189.A N TRP 185.A O no hydrogen 2.775 N/A ASP 190.A N GLN 186.A O no hydrogen 3.000 N/A GLN 191.A N LYS 187.A O no hydrogen 3.009 N/A GLN 191.A NE2 LYS 187.A O no hydrogen 3.576 N/A ALA 192.A N ALA 188.A O no hydrogen 2.946 N/A ALA 193.A N ALA 189.A O no hydrogen 2.991 N/A ALA 194.A N ASP 190.A O no hydrogen 2.984 N/A LEU 195.A N GLN 191.A O no hydrogen 3.043 N/A LEU 196.A N ALA 192.A O no hydrogen 3.005 N/A ALA 197.A N ALA 193.A O no hydrogen 3.009 N/A GLU 198.A N ALA 194.A O no hydrogen 3.379 N/A ALA 199.A N LEU 195.A O no hydrogen 2.985 N/A LYS 200.A N ASP 270.A OD2 no hydrogen 2.864 N/A HIS 201.A N ASP 270.A OD1 no hydrogen 2.983 N/A VAL 203.A N LEU 271.A O no hydrogen 2.923 N/A LEU 204.A N PRO 229.A O no hydrogen 2.985 N/A VAL 205.A N LEU 273.A O no hydrogen 2.886 N/A VAL 206.A N ILE 231.A O no hydrogen 2.755 N/A GLY 207.A N VAL 275.A O no hydrogen 3.081 N/A ALA 208.A N GLU 281.A OE2 no hydrogen 3.081 N/A ALA 210.A N GLY 207.A O no hydrogen 3.038 N/A ARG 212.A N ALA 208.A O no hydrogen 3.067 N/A ARG 212.A NE GLU 145.A OE2 no hydrogen 2.836 N/A ARG 212.A NH2 GLU 145.A OE1 no hydrogen 3.048 N/A ARG 212.A NH2 GLU 145.A OE2 no hydrogen 3.371 N/A SER 213.A N ALA 209.A O no hydrogen 3.143 N/A SER 213.A OG ASP 318.A OD1 no hydrogen 2.570 N/A GLY 214.A N ILE 211.A O no hydrogen 2.949 N/A ALA 215.A N ALA 210.A O no hydrogen 3.085 N/A ILE 219.A N ALA 215.A O no hydrogen 2.860 N/A ARG 220.A N VAL 216.A O no hydrogen 2.983 N/A ARG 220.A NE GLU 224.A OE2 no hydrogen 2.868 N/A ALA 221.A N PRO 217.A O no hydrogen 2.983 N/A LEU 222.A N ALA 218.A O no hydrogen 2.999 N/A ALA 223.A N ILE 219.A O no hydrogen 2.819 N/A GLU 224.A N ARG 220.A O no hydrogen 2.849 N/A ARG 225.A N ALA 221.A O no hydrogen 3.139 N/A ARG 225.A NE GLU 327.A OE1 no hydrogen 3.211 N/A ARG 225.A NH1 THR 330.A O no hydrogen 2.834 N/A ARG 225.A NH2 GLU 327.A OE1 no hydrogen 2.835 N/A ARG 225.A NH2 THR 330.A O no hydrogen 3.288 N/A ARG 225.A NH2 THR 330.A OG1 no hydrogen 3.012 N/A LEU 226.A N LEU 222.A O no hydrogen 3.131 N/A ASN 227.A ND2 LYS 336.A O no hydrogen 2.817 N/A ILE 228.A N ALA 223.A O no hydrogen 3.016 N/A VAL 230.A N LEU 246.A O no hydrogen 2.802 N/A ILE 231.A N LEU 204.A O no hydrogen 2.770 N/A THR 232.A N GLY 249.A O no hydrogen 3.160 N/A THR 232.A OG1 THR 233.A O no hydrogen 2.885 N/A THR 233.A N VAL 206.A O no hydrogen 3.190 N/A THR 233.A OG1 GLU 281.A OE2 no hydrogen 2.825 N/A LYS 237.A NZ VAL 395.A O no hydrogen 2.634 N/A LYS 237.A NZ ALA 398.A O no hydrogen 2.765 N/A VAL 239.A N ALA 236.A O no hydrogen 3.364 N/A VAL 242.A N ASP 401.A OD1 no hydrogen 3.110 N/A HIS 244.A N PRO 241.A O no hydrogen 3.226 N/A HIS 244.A NE2 GLU 224.A OE2 no hydrogen 2.751 N/A LEU 246.A N HIS 244.A ND1 no hydrogen 3.176 N/A ASN 247.A N HIS 244.A O no hydrogen 3.179 N/A ASN 247.A ND2 PRO 241.A O no hydrogen 3.007 N/A TYR 248.A N VAL 230.A O no hydrogen 3.010 N/A TYR 248.A OH HIS 339.A O no hydrogen 2.640 N/A VAL 251.A N THR 232.A O no hydrogen 3.072 N/A THR 252.A OG1 HIS 392.A ND1 no hydrogen 3.129 N/A TYR 254.A N THR 252.A OG1 no hydrogen 3.122 N/A ILE 257.A N TYR 254.A O no hydrogen 3.129 N/A PHE 260.A N ASP 255.A O no hydrogen 3.261 N/A ALA 262.A N ASP 255.A OD1 no hydrogen 3.059 N/A ALA 262.A N PHE 260.A O no hydrogen 2.861 N/A LEU 263.A N ASP 255.A OD1 no hydrogen 3.041 N/A THR 265.A N PRO 261.A O no hydrogen 2.983 N/A THR 265.A OG1 PRO 261.A O no hydrogen 2.752 N/A ALA 267.A N GLN 264.A O no hydrogen 2.888 N/A VAL 269.A N PHE 266.A O no hydrogen 3.134 N/A ASP 270.A N HIS 201.A O no hydrogen 3.211 N/A VAL 272.A N LYS 294.A O no hydrogen 2.966 N/A LEU 273.A N VAL 203.A O no hydrogen 2.941 N/A THR 274.A N VAL 296.A O no hydrogen 2.842 N/A THR 274.A OG1 VAL 296.A O no hydrogen 3.256 N/A THR 274.A OG1 TYR 309.A OH no hydrogen 2.904 N/A VAL 275.A N VAL 205.A O no hydrogen 2.887 N/A GLY 276.A N ILE 298.A O no hydrogen 2.735 N/A TYR 277.A N ILE 298.A O no hydrogen 3.160 N/A TYR 277.A OH LEU 283.A O no hydrogen 2.708 N/A ALA 280.A N ASP 278.A OD1 no hydrogen 3.206 N/A GLU 281.A N ASP 278.A O no hydrogen 3.099 N/A ASP 282.A N TYR 279.A O no hydrogen 2.949 N/A ARG 284.A NH1 ASP 282.A OD1 no hydrogen 3.008 N/A ILE 291.A N ALA 267.A O no hydrogen 3.122 N/A LYS 293.A NZ PHE 266.A O no hydrogen 2.866 N/A LYS 293.A NZ ALA 267.A O no hydrogen 3.197 N/A LYS 293.A NZ VAL 269.A O no hydrogen 2.589 N/A LYS 293.A NZ LYS 289.A O no hydrogen 2.873 N/A LYS 293.A NZ ILE 291.A O no hydrogen 2.788 N/A LYS 294.A N ASP 270.A O no hydrogen 3.086 N/A THR 295.A N ASP 312.A OD2 no hydrogen 2.939 N/A THR 295.A OG1 ASP 312.A OD2 no hydrogen 3.357 N/A VAL 296.A N VAL 272.A O no hydrogen 3.013 N/A ARG 297.A N VAL 313.A O no hydrogen 2.916 N/A ARG 297.A NH1 THR 301.A O no hydrogen 3.086 N/A ARG 297.A NH1 ASP 314.A OD1 no hydrogen 2.909 N/A ARG 297.A NH2 THR 301.A O no hydrogen 3.240 N/A ARG 297.A NH2 THR 301.A OG1 no hydrogen 3.197 N/A ILE 298.A N THR 274.A O no hydrogen 2.954 N/A SER 299.A N VAL 315.A O no hydrogen 3.090 N/A SER 299.A OG THR 301.A OG1 no hydrogen 2.773 N/A THR 301.A N SER 299.A OG no hydrogen 3.266 N/A THR 301.A OG1 SER 299.A OG no hydrogen 2.773 N/A ASN 303.A ND2 TYR 309.A O no hydrogen 2.660 N/A ILE 305.A N ASN 303.A OD1 no hydrogen 3.070 N/A VAL 308.A N ILE 305.A O no hydrogen 2.990 N/A TYR 309.A N ILE 305.A O no hydrogen 2.894 N/A TYR 309.A OH THR 274.A OG1 no hydrogen 2.904 N/A ASP 312.A N THR 295.A OG1 no hydrogen 3.261 N/A VAL 313.A N THR 295.A O no hydrogen 3.130 N/A VAL 315.A N ARG 297.A O no hydrogen 2.721 N/A THR 317.A N SER 299.A O no hydrogen 3.002 N/A LEU 320.A N SER 213.A OG no hydrogen 3.267 N/A ALA 321.A N ASP 318.A OD2 no hydrogen 3.374 N/A PHE 322.A N ASP 318.A O no hydrogen 2.937 N/A VAL 323.A N VAL 319.A O no hydrogen 2.976 N/A GLU 324.A N LEU 320.A O no hydrogen 3.054 N/A HIS 325.A N ALA 321.A O no hydrogen 3.070 N/A HIS 325.A NE2 ASP 190.A OD1 no hydrogen 2.910 N/A PHE 326.A N PHE 322.A O no hydrogen 2.884 N/A GLU 327.A N VAL 323.A O no hydrogen 2.919 N/A THR 328.A N GLU 324.A O no hydrogen 3.474 N/A THR 328.A OG1 GLU 324.A O no hydrogen 3.379 N/A ALA 329.A N HIS 325.A O no hydrogen 3.013 N/A THR 330.A N PHE 326.A O no hydrogen 2.924 N/A THR 330.A OG1 PHE 326.A O no hydrogen 2.521 N/A ALA 331.A N THR 328.A O no hydrogen 3.363 N/A PHE 333.A N THR 330.A O no hydrogen 3.210 N/A LYS 336.A N LEU 226.A O no hydrogen 2.977 N/A LYS 336.A NZ LEU 196.A O no hydrogen 2.699 N/A LYS 336.A NZ ALA 197.A O no hydrogen 3.306 N/A LYS 336.A NZ ALA 199.A O no hydrogen 2.667 N/A ARG 338.A NE ASN 227.A OD1 no hydrogen 3.019 N/A ARG 338.A NH1 TYR 248.A OH no hydrogen 3.040 N/A GLU 342.A N ASP 340.A OD1 no hydrogen 3.159 N/A ARG 345.A N ILE 341.A O no hydrogen 2.984 N/A ARG 345.A NH1 GLU 342.A OE2 no hydrogen 2.758 N/A ARG 345.A NH2 GLU 245.A O no hydrogen 3.104 N/A ARG 345.A NH2 ASN 247.A O no hydrogen 3.038 N/A ALA 346.A N GLU 342.A O no hydrogen 2.810 N/A ARG 347.A N PRO 343.A O no hydrogen 3.133 N/A ARG 347.A NE LEU 258.A O no hydrogen 2.964 N/A ARG 347.A NH1 GLU 350.A OE1 no hydrogen 3.545 N/A ARG 347.A NH2 LEU 258.A O no hydrogen 3.054 N/A ARG 347.A NH2 ASN 259.A O no hydrogen 3.110 N/A ILE 348.A N LEU 344.A O no hydrogen 2.968 N/A ALA 349.A N ARG 345.A O no hydrogen 3.013 N/A GLU 350.A N ALA 346.A O no hydrogen 2.938 N/A PHE 351.A N ARG 347.A O no hydrogen 3.068 N/A LEU 352.A N ILE 348.A O no hydrogen 3.073 N/A ALA 353.A N ALA 349.A O no hydrogen 3.066 N/A ASP 354.A N PHE 351.A O no hydrogen 3.309 N/A GLU 356.A N ASP 354.A OD1 no hydrogen 3.244 N/A TYR 358.A OH ASP 354.A OD2 no hydrogen 2.527 N/A ARG 362.A N GLN 365.A OE1 no hydrogen 3.053 N/A GLN 365.A N ARG 362.A O no hydrogen 2.982 N/A GLN 365.A NE2 ASP 354.A O no hydrogen 2.747 N/A GLN 365.A NE2 GLU 356.A O no hydrogen 2.866 N/A VAL 366.A N ARG 362.A O no hydrogen 3.164 N/A ILE 367.A N VAL 363.A O no hydrogen 2.983 N/A ASP 368.A N HIS 364.A O no hydrogen 3.009 N/A SER 369.A N GLN 365.A O no hydrogen 3.141 N/A SER 369.A OG GLN 365.A O no hydrogen 2.928 N/A ASN 370.A ND2 PHE 397.A O no hydrogen 2.781 N/A THR 371.A N ASP 368.A O no hydrogen 3.011 N/A THR 371.A OG1 ASP 368.A O no hydrogen 3.230 N/A VAL 372.A N SER 369.A O no hydrogen 3.178 N/A GLU 374.A N THR 371.A O no hydrogen 3.323 N/A ALA 375.A N VAL 372.A O no hydrogen 2.950 N/A GLY 379.A N ASP 401.A OD2 no hydrogen 2.947 N/A GLU 380.A N GLU 377.A O no hydrogen 3.059 N/A GLY 381.A N GLN 431.A OE1 no hydrogen 3.010 N/A THR 382.A N PRO 432.A O no hydrogen 2.963 N/A ILE 383.A N GLY 405.A O no hydrogen 2.807 N/A VAL 384.A N PHE 434.A O no hydrogen 2.709 N/A SER 385.A N LEU 407.A O no hydrogen 2.900 N/A SER 385.A OG ASP 386.A O no hydrogen 2.840 N/A ASP 386.A N ILE 436.A O no hydrogen 3.003 N/A ILE 387.A N ASP 386.A OD1 no hydrogen 2.662 N/A ARG 391.A N GLY 388.A O no hydrogen 3.162 N/A ARG 391.A NH1 SER 409.A O no hydrogen 3.036 N/A ARG 391.A NH2 SER 413.A OG no hydrogen 3.040 N/A HIS 392.A N PHE 389.A O no hydrogen 3.121 N/A GLY 394.A N PHE 390.A O no hydrogen 3.123 N/A VAL 395.A N ARG 391.A O no hydrogen 3.124 N/A LEU 396.A N HIS 392.A O no hydrogen 3.278 N/A PHE 397.A N TYR 393.A O no hydrogen 2.752 N/A ALA 398.A N GLY 394.A O no hydrogen 2.821 N/A ARG 399.A N ASN 370.A OD1 no hydrogen 2.873 N/A GLN 402.A NE2 GLY 381.A O no hydrogen 3.141 N/A GLN 402.A NE2 GLN 431.A OE1 no hydrogen 2.988 N/A GLY 405.A N GLN 402.A O no hydrogen 2.923 N/A LEU 407.A N ILE 383.A O no hydrogen 2.922 N/A THR 408.A OG1 SER 385.A O no hydrogen 2.899 N/A SER 409.A OG ASP 86.A OD1 no hydrogen 3.110 N/A SER 409.A OG ASP 86.A OD2 no hydrogen 2.555 N/A GLY 411.A N ASP 86.A OD1 no hydrogen 2.945 N/A CYS 412.A N ASP 86.A OD1 no hydrogen 2.932 N/A CYS 412.A SG THR 82.A OG1 no hydrogen 3.603 N/A SER 413.A N SER 409.A OG no hydrogen 2.858 N/A SER 413.A OG SER 409.A O no hydrogen 2.700 N/A SER 413.A OG ALA 410.A O no hydrogen 3.565 N/A SER 414.A OG PHE 415.A O no hydrogen 2.867 N/A GLY 416.A N ASP 386.A OD1 no hydrogen 2.879 N/A GLY 418.A N ASP 386.A OD2 no hydrogen 2.924 N/A ALA 421.A N TYR 417.A O no hydrogen 2.999 N/A ALA 422.A N GLY 418.A O no hydrogen 2.821 N/A ILE 423.A N ILE 419.A O no hydrogen 2.964 N/A GLY 424.A N PRO 420.A O no hydrogen 2.991 N/A ALA 425.A N ALA 421.A O no hydrogen 2.867 N/A GLN 426.A N ALA 422.A O no hydrogen 2.891 N/A GLN 426.A NE2 GLN 426.A O no hydrogen 3.113 N/A GLN 426.A NE2 GLN 431.A O no hydrogen 2.994 N/A ARG 428.A N ALA 425.A O no hydrogen 3.018 N/A ARG 428.A NH1 THR 382.A OG1 no hydrogen 2.877 N/A ARG 428.A NH1 PHE 404.A O no hydrogen 2.884 N/A ARG 428.A NH2 PRO 403.A O no hydrogen 3.084 N/A GLN 431.A N ARG 428.A O no hydrogen 3.077 N/A PHE 434.A N THR 382.A O no hydrogen 2.907 N/A LEU 435.A N VAL 460.A O no hydrogen 2.879 N/A ILE 436.A N VAL 384.A O no hydrogen 2.832 N/A ALA 437.A N VAL 462.A O no hydrogen 3.023 N/A ASP 439.A N VAL 464.A O no hydrogen 3.297 N/A PHE 442.A N GLY 438.A O no hydrogen 2.780 N/A HIS 443.A N ASP 439.A O no hydrogen 3.116 N/A HIS 443.A ND1 SER 446.A OG no hydrogen 2.821 N/A SER 444.A N GLY 440.A O no hydrogen 3.323 N/A SER 444.A N GLY 441.A O no hydrogen 3.162 N/A SER 444.A OG GLY 441.A O no hydrogen 2.777 N/A ASN 445.A N PHE 442.A O no hydrogen 3.183 N/A ASN 445.A ND2 THR 48.A OG1 no hydrogen 2.878 N/A ASN 445.A ND2 GLY 416.A O no hydrogen 3.002 N/A SER 446.A OG HIS 443.A ND1 no hydrogen 2.821 N/A SER 446.A OG HIS 443.A O no hydrogen 3.475 N/A LEU 449.A N SER 446.A O no hydrogen 3.105 N/A GLU 450.A N SER 447.A O no hydrogen 3.149 N/A THR 451.A OG1 ASP 448.A OD1 no hydrogen 2.567 N/A ILE 452.A N ASP 448.A O no hydrogen 3.231 N/A ALA 453.A N LEU 449.A O no hydrogen 3.124 N/A ARG 454.A N GLU 450.A O no hydrogen 2.894 N/A ARG 454.A NE GLU 450.A OE1 no hydrogen 3.346 N/A ARG 454.A NE GLU 450.A OE2 no hydrogen 3.034 N/A ARG 454.A NH1 LEU 42.A O no hydrogen 2.822 N/A ARG 454.A NH2 LEU 42.A O no hydrogen 3.042 N/A ARG 454.A NH2 GLU 450.A OE1 no hydrogen 2.913 N/A LEU 455.A N THR 451.A O no hydrogen 2.984 N/A ASN 456.A N ALA 453.A O no hydrogen 3.172 N/A LEU 457.A N ILE 452.A O no hydrogen 3.238 N/A ILE 459.A N LEU 457.A O no hydrogen 2.723 N/A VAL 460.A N THR 433.A O no hydrogen 3.140 N/A THR 461.A N PHE 529.A O no hydrogen 2.940 N/A VAL 462.A N LEU 435.A O no hydrogen 2.734 N/A VAL 463.A N ILE 531.A O no hydrogen 2.836 N/A VAL 464.A N ALA 437.A O no hydrogen 2.841 N/A ASN 465.A N VAL 533.A O no hydrogen 2.975 N/A ASN 465.A ND2 GLU 532.A OE2 no hydrogen 2.862 N/A ASN 466.A N ASP 439.A OD1 no hydrogen 3.176 N/A ASP 467.A N ASN 465.A OD1 no hydrogen 2.814 N/A THR 468.A N ASP 439.A OD2 no hydrogen 3.060 N/A THR 468.A OG1 ASN 466.A O no hydrogen 2.689 N/A ASN 469.A N VAL 488.A O no hydrogen 2.847 N/A ILE 472.A N ASN 469.A O no hydrogen 3.007 N/A GLU 473.A N ASN 469.A O no hydrogen 3.159 N/A LEU 474.A N GLY 470.A O no hydrogen 2.992 N/A TYR 475.A N LEU 471.A O no hydrogen 3.127 N/A TYR 475.A OH TYR 254.A OH no hydrogen 2.671 N/A GLN 476.A N ILE 472.A O no hydrogen 2.915 N/A GLN 476.A NE2 HIS 484.A O no hydrogen 3.140 N/A ASN 477.A N GLU 473.A O no hydrogen 3.095 N/A ASN 477.A ND2 GLU 473.A O no hydrogen 2.943 N/A ASN 477.A ND2 SER 483.A OG no hydrogen 2.992 N/A ILE 478.A N LEU 474.A O no hydrogen 2.858 N/A GLY 479.A N TYR 475.A O no hydrogen 3.027 N/A HIS 480.A N GLN 476.A O no hydrogen 2.940 N/A HIS 481.A N ASN 477.A O no hydrogen 3.000 N/A SER 483.A OG GLU 473.A OE2 no hydrogen 2.858 N/A HIS 484.A N GLN 476.A OE1 no hydrogen 2.856 N/A ALA 487.A N HIS 484.A O no hydrogen 3.126 N/A VAL 488.A N ASP 485.A O no hydrogen 2.995 N/A LYS 489.A N ASP 485.A O no hydrogen 2.854 N/A LYS 489.A NZ THR 468.A OG1 no hydrogen 2.687 N/A LYS 489.A NZ GLU 473.A OE1 no hydrogen 3.406 N/A PHE 490.A N ASP 467.A O no hydrogen 2.979 N/A PHE 495.A N GLU 532.A OE1 no hydrogen 2.877 N/A ALA 497.A N ASP 494.A OD1 no hydrogen 3.108 N/A LEU 498.A N ASP 494.A O no hydrogen 2.833 N/A ALA 499.A N PHE 495.A O no hydrogen 2.805 N/A GLU 500.A N VAL 496.A O no hydrogen 3.146 N/A ALA 501.A N ALA 497.A O no hydrogen 2.974 N/A ASN 502.A N ALA 499.A O no hydrogen 3.082 N/A ASN 502.A ND2 LEU 498.A O no hydrogen 2.865 N/A GLY 503.A N GLU 500.A O no hydrogen 2.992 N/A VAL 504.A N ALA 499.A O no hydrogen 2.918 N/A THR 507.A N LEU 530.A O no hydrogen 2.888 N/A ALA 509.A N GLU 532.A O no hydrogen 3.073 N/A THR 510.A N GLU 514.A OE1 no hydrogen 2.927 N/A THR 510.A OG1 GLU 514.A OE1 no hydrogen 3.120 N/A ARG 512.A NE ASP 354.A O no hydrogen 3.296 N/A ARG 512.A NH1 ASP 368.A OD2 no hydrogen 2.791 N/A ARG 512.A NH2 LEU 352.A O no hydrogen 3.006 N/A ARG 512.A NH2 ASP 354.A O no hydrogen 2.934 N/A GLU 514.A N ASN 511.A OD1 no hydrogen 2.995 N/A LEU 515.A N ASN 511.A O no hydrogen 2.968 N/A LEU 516.A N ARG 512.A O no hydrogen 2.793 N/A ALA 517.A N GLU 513.A O no hydrogen 3.175 N/A ALA 518.A N GLU 514.A O no hydrogen 3.015 N/A LEU 519.A N LEU 515.A O no hydrogen 2.902 N/A ARG 520.A N LEU 516.A O no hydrogen 3.033 N/A ARG 520.A NE GLU 374.A OE1 no hydrogen 3.044 N/A ARG 520.A NH2 GLU 374.A OE2 no hydrogen 2.834 N/A LYS 521.A N ALA 517.A O no hydrogen 2.898 N/A GLY 522.A N ALA 518.A O no hydrogen 2.941 N/A ALA 523.A N LEU 519.A O no hydrogen 2.937 N/A GLU 524.A N ARG 520.A O no hydrogen 3.368 N/A LEU 525.A N GLY 522.A O no hydrogen 3.269 N/A ARG 527.A NH2 ASP 505.A OD2 no hydrogen 3.059 N/A PHE 529.A N ILE 459.A O no hydrogen 3.085 N/A LEU 530.A N ASP 505.A O no hydrogen 2.983 N/A ILE 531.A N THR 461.A O no hydrogen 2.808 N/A GLU 532.A N THR 507.A O no hydrogen 3.077 N/A VAL 533.A N VAL 463.A O no hydrogen 2.913 N/A VAL 535.A N ASN 465.A O no hydrogen 3.093 N/A GLY 543.A N GLN 540.A O no hydrogen 3.287 N/A LEU 547.A N PHE 544.A O no hydrogen 3.225 N/A SER 548.A N GLY 545.A O no hydrogen 3.385 N/A