Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k9l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LYS 164.A O no hydrogen 2.824 N/A HIS 4.A N TRP 162.A O no hydrogen 2.879 N/A HIS 4.A NE2 LYS 32.A O no hydrogen 2.854 N/A GLY 5.A N SER 2.A OG no hydrogen 2.976 N/A THR 6.A N SER 2.A O no hydrogen 2.904 N/A THR 6.A OG1 SER 2.A O no hydrogen 3.175 N/A THR 7.A N VAL 3.A O no hydrogen 2.865 N/A THR 7.A OG1 VAL 3.A O no hydrogen 2.742 N/A TYR 8.A N HIS 4.A O no hydrogen 3.117 N/A TYR 8.A OH PHE 30.A O no hydrogen 2.723 N/A GLU 9.A N GLY 5.A O no hydrogen 3.110 N/A LEU 10.A N THR 6.A O no hydrogen 2.909 N/A LEU 11.A N THR 7.A O no hydrogen 2.875 N/A ARG 12.A N TYR 8.A O no hydrogen 3.019 N/A ARG 12.A NE ASP 37.A OD2 no hydrogen 2.840 N/A ARG 12.A NH1 GLU 9.A OE1 no hydrogen 2.801 N/A ARG 12.A NH2 ASP 37.A OD1 no hydrogen 2.992 N/A ARG 12.A NH2 ASP 37.A OD2 no hydrogen 3.568 N/A ARG 13.A N GLU 9.A O no hydrogen 2.904 N/A ARG 13.A NE ASP 175.A OD1 no hydrogen 2.870 N/A ARG 13.A NH1 GLU 9.A OE2 no hydrogen 2.740 N/A ARG 13.A NH2 ASP 175.A OD2 no hydrogen 3.136 N/A GLN 14.A N LEU 10.A O no hydrogen 2.989 N/A GLN 14.A N LEU 11.A O no hydrogen 3.036 N/A GLN 14.A NE2 PHE 174.A O no hydrogen 2.797 N/A GLN 14.A NE2 ARG 176.A O no hydrogen 3.148 N/A GLY 15.A N ARG 12.A O no hydrogen 3.023 N/A ILE 16.A N LEU 11.A O no hydrogen 2.874 N/A THR 18.A OG1 ASP 17.A OD1 no hydrogen 2.783 N/A VAL 19.A N ARG 39.A O no hydrogen 2.801 N/A PHE 20.A N PHE 65.A O no hydrogen 2.930 N/A GLY 21.A N ILE 41.A O no hydrogen 3.036 N/A ASN 22.A N ASN 67.A O no hydrogen 3.332 N/A ASN 22.A ND2 ALA 43.A O no hydrogen 2.891 N/A ASN 26.A ND2 GLY 96.A O no hydrogen 3.043 N/A ASN 26.A ND2 LEU 109.A O no hydrogen 3.032 N/A GLU 27.A N GLY 24.A O no hydrogen 3.078 N/A LEU 28.A N SER 25.A O no hydrogen 3.144 N/A PHE 30.A N GLU 27.A O no hydrogen 2.961 N/A LEU 31.A N GLU 27.A O no hydrogen 2.901 N/A LYS 32.A N LEU 28.A O no hydrogen 2.778 N/A LYS 32.A NZ ASP 163.A OD1 no hydrogen 3.005 N/A LYS 32.A NZ ASP 163.A OD2 no hydrogen 3.279 N/A PHE 38.A N PRO 35.A O no hydrogen 3.070 N/A ARG 39.A N ASP 17.A O no hydrogen 2.869 N/A ARG 39.A NE.A THR 18.A OG1 no hydrogen 2.757 N/A ILE 41.A N VAL 19.A O no hydrogen 2.796 N/A LEU 42.A N TYR 440.A OH no hydrogen 2.956 N/A ALA 43.A N GLY 21.A O no hydrogen 3.235 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.708 N/A ALA 47.A N GLN 45.A OE1 no hydrogen 2.862 N/A CYS 48.A SG SER 430.A O no hydrogen 3.900 N/A CYS 48.A SG SER 432.A OG no hydrogen 3.353 N/A VAL 49.A N GLN 45.A O no hydrogen 2.907 N/A VAL 50.A N GLU 46.A O no hydrogen 3.031 N/A GLY 51.A N ALA 47.A O no hydrogen 3.003 N/A ILE 52.A N CYS 48.A O no hydrogen 2.895 N/A ALA 53.A N VAL 49.A O no hydrogen 3.101 N/A ASP 54.A N VAL 50.A O no hydrogen 2.784 N/A GLY 55.A N GLY 51.A O no hydrogen 3.064 N/A TYR 56.A N ILE 52.A O no hydrogen 2.956 N/A ALA 57.A N ALA 53.A O no hydrogen 2.784 N/A GLN 58.A N ASP 54.A O no hydrogen 2.883 N/A GLN 58.A NE2 ASP 54.A OD1 no hydrogen 2.969 N/A ALA 59.A N GLY 55.A O no hydrogen 3.005 N/A SER 60.A N TYR 56.A O no hydrogen 2.933 N/A SER 60.A OG.A TYR 56.A O no hydrogen 2.845 N/A SER 60.A OG.A ALA 57.A O no hydrogen 3.293 N/A SER 60.A OG.B TYR 56.A O no hydrogen 2.982 N/A ARG 61.A NE ASP 211.A O no hydrogen 2.856 N/A ARG 61.A NH2 ASP 211.A O no hydrogen 2.978 N/A ARG 61.A NH2 ASP 211.A OD1 no hydrogen 3.347 N/A LYS 62.A N ALA 57.A O no hydrogen 3.340 N/A LYS 62.A N SER 60.A OG.A no hydrogen 3.239 N/A ALA 64.A N PRO 90.A O no hydrogen 3.065 N/A ILE 66.A N ILE 92.A O no hydrogen 2.862 N/A ASN 67.A N PHE 20.A O no hydrogen 2.849 N/A ASN 67.A ND2 THR 94.A OG1 no hydrogen 2.979 N/A LEU 68.A N THR 94.A O no hydrogen 2.829 N/A HIS 69.A ND1 GLU 27.A OE1 no hydrogen 2.759 N/A SER 70.A OG LEU 109.A O no hydrogen 2.672 N/A GLY 73.A N HIS 69.A O no hydrogen 2.831 N/A THR 74.A N SER 70.A O no hydrogen 3.026 N/A THR 74.A OG1 SER 70.A O no hydrogen 2.743 N/A THR 74.A OG1 TYR 154.A OH no hydrogen 2.764 N/A GLY 75.A N ALA 71.A O no hydrogen 2.680 N/A ASN 76.A N ALA 72.A O no hydrogen 3.003 N/A ASN 76.A ND2 GLU 46.A OE1 no hydrogen 2.963 N/A ALA 77.A N THR 74.A O no hydrogen 2.992 N/A MET 78.A N GLY 75.A O no hydrogen 2.963 N/A LEU 81.A N ALA 77.A O no hydrogen 3.022 N/A SER 82.A N MET 78.A O no hydrogen 3.215 N/A SER 82.A N GLY 79.A O no hydrogen 3.109 N/A SER 82.A OG GLY 79.A O no hydrogen 2.699 N/A ASN 83.A N GLY 79.A O no hydrogen 3.469 N/A ASN 83.A ND2 GLY 398.A O no hydrogen 2.854 N/A ALA 84.A N ALA 80.A O no hydrogen 3.109 N/A TRP 85.A N LEU 81.A O no hydrogen 2.832 N/A ASN 86.A N SER 82.A O no hydrogen 3.377 N/A SER 87.A N ASN 83.A O no hydrogen 2.970 N/A SER 87.A OG ASN 83.A O no hydrogen 3.131 N/A SER 87.A OG ALA 84.A O no hydrogen 3.388 N/A SER 87.A OG SER 89.A OG no hydrogen 2.620 N/A HIS 88.A ND1 ASP 209.A OD1 no hydrogen 2.845 N/A HIS 88.A NE2 ASP 297.A OD2 no hydrogen 2.716 N/A SER 89.A N ALA 84.A O no hydrogen 3.042 N/A SER 89.A OG ASP 54.A OD1 no hydrogen 2.614 N/A SER 89.A OG SER 87.A OG no hydrogen 2.620 N/A ILE 92.A N ALA 64.A O no hydrogen 2.854 N/A VAL 93.A N VAL 153.A O no hydrogen 2.890 N/A THR 94.A N ILE 66.A O no hydrogen 2.907 N/A THR 94.A OG1 ILE 66.A O no hydrogen 2.898 N/A ALA 95.A N LEU 155.A O no hydrogen 2.924 N/A GLY 96.A N LEU 68.A O no hydrogen 3.219 N/A GLN 97.A N VAL 157.A O no hydrogen 2.935 N/A GLN 97.A NE2 ASN 111.A O no hydrogen 2.796 N/A GLN 97.A NE2 GLU 127.A OE1 no hydrogen 2.865 N/A GLN 98.A N GLN 97.A OE1 no hydrogen 2.898 N/A GLN 98.A NE2 LEU 108.A O no hydrogen 2.796 N/A THR 99.A N GLN 98.A OE1 no hydrogen 2.936 N/A ARG 100.A N ASP 160.A OD1 no hydrogen 2.978 N/A ARG 100.A NE ASP 161.A OD1 no hydrogen 2.830 N/A ARG 100.A NH1 PRO 128.A O no hydrogen 3.240 N/A ARG 100.A NH2 PRO 128.A O no hydrogen 2.982 N/A ARG 100.A NH2 ASP 161.A OD2 no hydrogen 2.810 N/A MET 102.A N THR 99.A O no hydrogen 2.837 N/A ILE 103.A N ARG 100.A O no hydrogen 3.413 N/A GLU 106.A N ILE 103.A O no hydrogen 2.946 N/A ALA 107.A N MET 102.A O no hydrogen 3.224 N/A THR 110.A N ALA 107.A O no hydrogen 3.125 N/A THR 110.A OG1 ALA 107.A O no hydrogen 2.629 N/A ASN 111.A N GLN 97.A OE1 no hydrogen 2.689 N/A ASN 116.A N ASP 113.A O no hydrogen 3.098 N/A ASN 116.A ND2 ASP 113.A OD2 no hydrogen 2.901 N/A LEU 117.A N ALA 114.A O no hydrogen 2.916 N/A ARG 119.A NH1 ASN 116.A OD1 no hydrogen 2.751 N/A LEU 121.A N PRO 118.A O no hydrogen 2.925 N/A LYS 123.A N PRO 152.A O no hydrogen 2.847 N/A LYS 123.A NZ MET 144.A O no hydrogen 2.651 N/A LYS 123.A NZ PRO 149.A O no hydrogen 2.773 N/A SER 125.A OG ALA 115.A O no hydrogen 2.622 N/A TYR 126.A N TYR 154.A O no hydrogen 2.921 N/A TYR 126.A OH GLU 133.A OE2 no hydrogen 2.611 N/A ALA 129.A N GLU 133.A OE1 no hydrogen 2.849 N/A GLU 133.A N SER 130.A O no hydrogen 3.165 N/A VAL 134.A N ALA 131.A O no hydrogen 2.995 N/A ALA 137.A N GLU 133.A O no hydrogen 2.868 N/A MET 138.A N VAL 134.A O no hydrogen 2.792 N/A SER 139.A N PRO 135.A O no hydrogen 2.828 N/A ARG 140.A N HIS 136.A O no hydrogen 2.932 N/A ALA 141.A N ALA 137.A O no hydrogen 2.913 N/A ILE 142.A N MET 138.A O no hydrogen 2.901 N/A HIS 143.A N SER 139.A O no hydrogen 3.068 N/A MET 144.A N ARG 140.A O no hydrogen 2.826 N/A ALA 145.A N ALA 141.A O no hydrogen 3.000 N/A SER 146.A N ILE 142.A O no hydrogen 3.170 N/A SER 146.A N HIS 143.A O no hydrogen 3.115 N/A SER 146.A OG ILE 142.A O no hydrogen 2.692 N/A MET 147.A N HIS 143.A O no hydrogen 2.898 N/A ALA 148.A N SER 180.A OG no hydrogen 3.140 N/A GLN 150.A NE2 SER 146.A O no hydrogen 2.923 N/A GLY 151.A N ALA 145.A O no hydrogen 3.295 N/A VAL 153.A N LEU 91.A O no hydrogen 2.882 N/A TYR 154.A N TRP 124.A O no hydrogen 2.825 N/A TYR 154.A OH THR 74.A OG1 no hydrogen 2.764 N/A LEU 155.A N VAL 93.A O no hydrogen 2.811 N/A SER 156.A N TYR 126.A O no hydrogen 2.859 N/A SER 156.A OG GLU 127.A OE1 no hydrogen 2.625 N/A VAL 157.A N ALA 95.A O no hydrogen 3.033 N/A TYR 159.A N GLN 97.A O no hydrogen 2.905 N/A ASP 160.A N ASP 160.A OD1 no hydrogen 2.615 N/A ASP 161.A N PRO 158.A O no hydrogen 3.168 N/A LYS 164.A N ASP 161.A O no hydrogen 3.109 N/A LYS 164.A NZ ASP 160.A O no hydrogen 2.979 N/A ALA 166.A N ALA 1.A O no hydrogen 2.847 N/A GLN 169.A N ASP 167.A OD1 no hydrogen 2.724 N/A SER 170.A N ASP 167.A O no hydrogen 2.931 N/A SER 170.A OG ASP 167.A O no hydrogen 3.062 N/A HIS 171.A N PRO 168.A O no hydrogen 3.330 N/A HIS 171.A ND1 PRO 168.A O no hydrogen 2.838 N/A HIS 172.A N GLN 169.A O no hydrogen 3.327 N/A LEU 173.A N SER 170.A O no hydrogen 2.910 N/A PHE 174.A N HIS 171.A O no hydrogen 3.144 N/A ARG 176.A N LEU 173.A O no hydrogen 3.326 N/A SER 181.A N SER 179.A OG no hydrogen 3.117 N/A VAL 182.A N SER 180.A O no hydrogen 2.947 N/A ARG 183.A NH1 LEU 184.A O no hydrogen 2.813 N/A ARG 183.A NH1 ASP 186.A OD1 no hydrogen 2.777 N/A ARG 183.A NH2 ASP 186.A OD1 no hydrogen 3.130 N/A ASN 185.A ND2 ASP 188.A OD2 no hydrogen 2.844 N/A ASP 188.A N ASN 185.A OD1 no hydrogen 2.797 N/A LEU 189.A N ASN 185.A O no hydrogen 2.834 N/A ASP 190.A N ASP 186.A O no hydrogen 2.859 N/A ILE 191.A N GLN 187.A O no hydrogen 3.316 N/A LEU 192.A N ASP 188.A O no hydrogen 2.991 N/A VAL 193.A N LEU 189.A O no hydrogen 2.807 N/A LYS 194.A N ASP 190.A O no hydrogen 2.943 N/A ALA 195.A N ILE 191.A O no hydrogen 3.004 N/A LEU 196.A N LEU 192.A O no hydrogen 3.006 N/A ASN 197.A N VAL 193.A O no hydrogen 2.917 N/A SER 198.A N LYS 194.A O no hydrogen 2.950 N/A SER 198.A OG LYS 194.A O no hydrogen 2.984 N/A ALA 199.A N LEU 196.A O no hydrogen 3.137 N/A SER 200.A N ASP 267.A OD2 no hydrogen 2.777 N/A SER 200.A OG ASP 267.A OD2 no hydrogen 2.960 N/A ASN 201.A N ASP 267.A OD1 no hydrogen 2.922 N/A ASN 201.A ND2 GLY 265.A O no hydrogen 3.025 N/A ALA 203.A N VAL 268.A O no hydrogen 3.025 N/A ILE 204.A N PRO 229.A O no hydrogen 2.932 N/A VAL 205.A N LEU 270.A O no hydrogen 2.855 N/A LEU 206.A N TRP 231.A O no hydrogen 2.903 N/A GLY 207.A N ILE 272.A O no hydrogen 2.866 N/A ASP 209.A N GLY 273.A O no hydrogen 3.152 N/A VAL 210.A N GLY 207.A O no hydrogen 3.131 N/A ALA 212.A N PRO 208.A O no hydrogen 2.930 N/A ALA 213.A N ASP 209.A O no hydrogen 3.041 N/A ASN 214.A N ASP 211.A O no hydrogen 3.026 N/A ALA 215.A N VAL 210.A O no hydrogen 2.915 N/A ASN 216.A ND2 ASP 211.A OD1 no hydrogen 3.127 N/A ASN 216.A ND2 CYS 239.A O no hydrogen 3.354 N/A CYS 219.A N ALA 215.A O no hydrogen 2.944 N/A CYS 219.A SG ALA 215.A O no hydrogen 3.465 N/A VAL 220.A N ASN 216.A O no hydrogen 2.956 N/A MET 221.A N ALA 217.A O no hydrogen 3.104 N/A LEU 222.A N ASP 218.A O no hydrogen 2.939 N/A ALA 223.A N CYS 219.A O no hydrogen 2.884 N/A GLU 224.A N VAL 220.A O no hydrogen 2.891 N/A ARG 225.A N MET 221.A O no hydrogen 2.905 N/A LEU 226.A N LEU 222.A O no hydrogen 3.036 N/A LYS 227.A N GLU 224.A O no hydrogen 3.222 N/A LYS 227.A NZ GLU 224.A O no hydrogen 2.821 N/A LYS 227.A NZ GLU 327.A OE2 no hydrogen 2.882 N/A LYS 227.A NZ SER 328.A O no hydrogen 3.219 N/A ALA 228.A N ALA 223.A O no hydrogen 3.012 N/A VAL 230.A N CYS 247.A O no hydrogen 2.919 N/A TRP 231.A N ILE 204.A O no hydrogen 2.858 N/A VAL 232.A N GLY 250.A O no hydrogen 2.960 N/A ALA 233.A N LEU 206.A O no hydrogen 2.966 N/A SER 235.A OG ARG 278.A O no hydrogen 2.868 N/A ARG 238.A NE ASP 211.A OD2 no hydrogen 2.708 N/A ARG 238.A NH1 GLN 58.A O no hydrogen 3.425 N/A ARG 238.A NH2 GLN 58.A O no hydrogen 3.026 N/A ARG 238.A NH2 ASP 211.A OD2 no hydrogen 3.076 N/A CYS 239.A SG PHE 241.A O no hydrogen 3.182 N/A THR 243.A N MET 385.A O no hydrogen 3.112 N/A THR 243.A OG1 LEU 383.A O no hydrogen 3.059 N/A ARG 244.A NE GLU 338.A OE2 no hydrogen 3.496 N/A ARG 244.A NH1 THR 243.A O no hydrogen 3.061 N/A ARG 244.A NH2 GLN 381.A O no hydrogen 3.055 N/A HIS 245.A N PRO 242.A O no hydrogen 3.234 N/A HIS 245.A NE2 GLU 224.A OE2 no hydrogen 2.756 N/A CYS 247.A N HIS 245.A ND1 no hydrogen 2.951 N/A CYS 247.A SG ALA 223.A O no hydrogen 3.770 N/A CYS 247.A SG ALA 228.A O no hydrogen 3.430 N/A PHE 248.A N HIS 245.A O no hydrogen 2.870 N/A ARG 249.A N VAL 230.A O no hydrogen 2.737 N/A ARG 249.A NH1 PRO 246.A O no hydrogen 3.017 N/A ARG 249.A NH1 PHE 248.A O no hydrogen 2.960 N/A ARG 249.A NH1 THR 334.A O no hydrogen 3.364 N/A ARG 249.A NH2 THR 334.A O no hydrogen 3.042 N/A MET 252.A N VAL 232.A O no hydrogen 3.028 N/A ILE 259.A N GLY 255.A O no hydrogen 3.037 N/A SER 260.A N ILE 256.A O no hydrogen 3.140 N/A SER 260.A OG ALA 257.A O no hydrogen 2.842 N/A SER 260.A OG GLN 283.A O no hydrogen 3.194 N/A GLN 261.A N ALA 257.A O no hydrogen 3.045 N/A LEU 262.A N ALA 258.A O no hydrogen 3.046 N/A LEU 263.A N ILE 259.A O no hydrogen 2.919 N/A GLU 264.A N GLN 261.A O no hydrogen 3.292 N/A HIS 266.A N LEU 263.A O no hydrogen 3.049 N/A HIS 266.A ND1 ASN 201.A O no hydrogen 2.959 N/A VAL 268.A N ASP 267.A OD1 no hydrogen 2.991 N/A VAL 269.A N ARG 290.A O no hydrogen 2.754 N/A LEU 270.A N ALA 203.A O no hydrogen 2.870 N/A VAL 271.A N ILE 292.A O no hydrogen 2.884 N/A ILE 272.A N VAL 205.A O no hydrogen 2.768 N/A GLY 273.A N VAL 294.A O no hydrogen 2.862 N/A ARG 278.A NH2 ALA 395.A O no hydrogen 2.954 N/A TYR 279.A N PHE 277.A O no hydrogen 2.814 N/A THR 280.A N ALA 254.A O no hydrogen 3.166 N/A LYS 286.A NZ GLN 283.A OE1 no hydrogen 2.566 N/A THR 289.A N LYS 286.A O no hydrogen 3.265 N/A THR 289.A OG1 LEU 263.A O no hydrogen 3.289 N/A THR 289.A OG1 HIS 266.A O no hydrogen 2.919 N/A ARG 290.A N ASP 267.A O no hydrogen 2.774 N/A ARG 290.A NH2 ASP 308.A OD2 no hydrogen 3.229 N/A ILE 292.A N VAL 269.A O no hydrogen 2.903 N/A SER 293.A N ASP 308.A O no hydrogen 2.917 N/A VAL 294.A N VAL 271.A O no hydrogen 2.818 N/A THR 295.A N ILE 310.A O no hydrogen 2.960 N/A THR 295.A OG1 ASP 297.A O no hydrogen 3.415 N/A THR 295.A OG1 GLU 300.A OE1 no hydrogen 2.636 N/A ASP 297.A N THR 295.A OG1 no hydrogen 3.057 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 2.945 N/A GLU 300.A N ASP 297.A O no hydrogen 2.968 N/A ALA 301.A N ASP 297.A O no hydrogen 3.191 N/A ALA 302.A N PRO 298.A O no hydrogen 2.872 N/A ARG 303.A N LEU 299.A O no hydrogen 3.261 N/A ALA 304.A N GLU 300.A O no hydrogen 3.205 N/A ASP 308.A N LEU 291.A O no hydrogen 2.947 N/A ILE 310.A N SER 293.A O no hydrogen 2.694 N/A ALA 312.A N THR 295.A O no hydrogen 2.940 N/A ASP 313.A N VAL 182.A O no hydrogen 3.046 N/A ALA 316.A N ASP 313.A OD2 no hydrogen 2.824 N/A MET 317.A N ASP 313.A O no hydrogen 2.981 N/A ALA 318.A N ILE 314.A O no hydrogen 2.864 N/A SER 319.A N GLY 315.A O no hydrogen 3.131 N/A ALA 320.A N ALA 316.A O no hydrogen 3.037 N/A LEU 321.A N MET 317.A O no hydrogen 2.909 N/A ALA 322.A N ALA 318.A O no hydrogen 2.934 N/A ASN 323.A N SER 319.A O no hydrogen 3.159 N/A ASN 323.A ND2 SER 319.A O no hydrogen 2.733 N/A LEU 324.A N ALA 320.A O no hydrogen 3.047 N/A LEU 324.A N LEU 321.A O no hydrogen 3.147 N/A VAL 325.A N LEU 321.A O no hydrogen 3.124 N/A GLU 326.A N ASN 197.A OD1 no hydrogen 2.934 N/A SER 328.A N ARG 225.A O no hydrogen 2.685 N/A ARG 330.A N SER 328.A OG no hydrogen 3.192 N/A ARG 330.A NH1 ALA 199.A O no hydrogen 2.925 N/A ARG 330.A NH2 LEU 226.A O no hydrogen 2.633 N/A GLN 344.A NE2 ASP 345.A O no hydrogen 2.966 N/A GLN 344.A NE2 ARG 348.A O no hydrogen 2.963 N/A GLY 347.A N ASP 345.A OD1 no hydrogen 2.861 N/A ARG 348.A NE THR 519.A O no hydrogen 2.703 N/A ARG 348.A NH2 THR 519.A O no hydrogen 3.054 N/A LEU 349.A N SER 518.A O no hydrogen 2.948 N/A HIS 350.A N GLN 344.A OE1 no hydrogen 3.003 N/A GLU 352.A N GLU 352.A OE1 no hydrogen 2.713 N/A THR 353.A N HIS 350.A O no hydrogen 2.744 N/A THR 353.A OG1 GLN 344.A OE1 no hydrogen 2.731 N/A VAL 354.A N HIS 350.A O no hydrogen 3.262 N/A PHE 355.A N PRO 351.A O no hydrogen 2.984 N/A ASP 356.A N GLU 352.A O no hydrogen 3.042 N/A THR 357.A N THR 353.A O no hydrogen 2.991 N/A THR 357.A OG1 THR 353.A O no hydrogen 2.821 N/A LEU 358.A N VAL 354.A O no hydrogen 2.856 N/A ASN 359.A N PHE 355.A O no hydrogen 2.857 N/A ASP 360.A N ASP 356.A O no hydrogen 2.867 N/A MET 361.A N THR 357.A O no hydrogen 2.968 N/A MET 361.A N LEU 358.A O no hydrogen 3.253 N/A ALA 362.A N LEU 358.A O no hydrogen 2.857 N/A ALA 366.A N PRO 363.A O no hydrogen 3.058 N/A ILE 367.A N GLN 417.A O no hydrogen 2.911 N/A TYR 368.A N SER 390.A O no hydrogen 2.759 N/A LEU 369.A N ILE 419.A O no hydrogen 3.055 N/A ASN 370.A N TYR 392.A O no hydrogen 2.890 N/A ASN 370.A ND2 THR 376.A OG1 no hydrogen 2.982 N/A ASN 370.A ND2 TYR 391.A OH no hydrogen 2.933 N/A GLU 371.A N VAL 421.A O no hydrogen 2.866 N/A SER 372.A N ASN 370.A OD1 no hydrogen 2.967 N/A SER 372.A OG THR 375.A OG1 no hydrogen 2.733 N/A THR 375.A N SER 372.A O no hydrogen 3.149 N/A THR 375.A OG1 SER 372.A O no hydrogen 3.082 N/A THR 375.A OG1 SER 372.A OG no hydrogen 2.733 N/A GLN 378.A N GLN 378.A OE1 no hydrogen 2.944 N/A MET 379.A N THR 375.A O no hydrogen 3.005 N/A TRP 380.A N THR 376.A O no hydrogen 3.085 N/A GLN 381.A N ALA 377.A O no hydrogen 3.267 N/A ARG 382.A N MET 379.A O no hydrogen 3.239 N/A ARG 382.A NH1 ALA 340.A O no hydrogen 2.828 N/A ARG 382.A NH1 ASP 356.A OD1 no hydrogen 3.025 N/A ARG 382.A NH2 ALA 340.A O no hydrogen 2.926 N/A LEU 383.A N MET 379.A O no hydrogen 3.183 N/A ASN 384.A N ASN 359.A OD1 no hydrogen 2.769 N/A MET 385.A N THR 243.A OG1 no hydrogen 2.775 N/A GLY 389.A N ASP 211.A OD1 no hydrogen 2.771 N/A SER 390.A OG ASN 387.A O no hydrogen 2.784 N/A SER 390.A OG PRO 388.A O no hydrogen 3.308 N/A TYR 392.A N TYR 368.A O no hydrogen 3.126 N/A PHE 393.A N PRO 237.A O no hydrogen 3.019 N/A ALA 396.A N ASN 83.A OD1 no hydrogen 2.972 N/A GLY 397.A N CYS 394.A O no hydrogen 3.016 N/A GLY 398.A N ASN 83.A OD1 no hydrogen 3.093 N/A GLY 400.A N GLU 371.A OE1 no hydrogen 2.748 N/A PHE 401.A N GLU 371.A OE2 no hydrogen 3.061 N/A ALA 402.A N GLU 371.A OE2 no hydrogen 2.900 N/A ALA 405.A N PHE 401.A O no hydrogen 2.797 N/A ALA 406.A N ALA 402.A O no hydrogen 2.840 N/A ILE 407.A N PRO 404.A O no hydrogen 3.005 N/A GLY 408.A N PRO 404.A O no hydrogen 3.154 N/A VAL 409.A N ALA 405.A O no hydrogen 2.798 N/A GLN 410.A N ALA 406.A O no hydrogen 3.028 N/A GLN 410.A NE2 GLN 410.A O no hydrogen 3.214 N/A GLN 410.A NE2 ARG 416.A O no hydrogen 2.860 N/A LEU 411.A N ILE 407.A O no hydrogen 2.944 N/A ALA 412.A N GLY 408.A O no hydrogen 3.016 N/A GLU 413.A N VAL 409.A O no hydrogen 2.805 N/A ARG 416.A N GLU 413.A O no hydrogen 3.159 N/A ARG 416.A NE ASN 365.A O no hydrogen 2.795 N/A ARG 416.A NH1 PRO 388.A O no hydrogen 2.890 N/A ARG 416.A NH2 ASN 365.A O no hydrogen 3.345 N/A ARG 416.A NH2 ALA 366.A O no hydrogen 3.216 N/A ARG 416.A NH2 PRO 388.A O no hydrogen 3.548 N/A ARG 416.A NH2 SER 390.A OG no hydrogen 2.874 N/A GLN 417.A NE2 VAL 418.A O no hydrogen 2.950 N/A GLN 417.A NE2 PRO 443.A O no hydrogen 3.049 N/A VAL 418.A N GLN 410.A OE1 no hydrogen 2.974 N/A ILE 419.A N ILE 367.A O no hydrogen 2.828 N/A ALA 420.A N ILE 445.A O no hydrogen 2.787 N/A VAL 421.A N LEU 369.A O no hydrogen 2.814 N/A ILE 422.A N VAL 447.A O no hydrogen 2.881 N/A GLY 423.A N GLU 371.A O no hydrogen 2.904 N/A ASP 424.A N MET 449.A O no hydrogen 3.043 N/A SER 426.A OG GLU 371.A O no hydrogen 3.261 N/A ALA 427.A N GLY 423.A O no hydrogen 3.021 N/A ASN 428.A N GLY 425.A O no hydrogen 3.443 N/A TYR 429.A N SER 426.A O no hydrogen 3.348 N/A SER 430.A OG GLY 400.A O no hydrogen 2.766 N/A ILE 431.A N ASN 428.A O no hydrogen 3.206 N/A ALA 433.A N SER 430.A O no hydrogen 3.048 N/A LEU 434.A N ILE 431.A O no hydrogen 3.084 N/A TRP 435.A N SER 432.A O no hydrogen 3.165 N/A THR 436.A N ALA 433.A O no hydrogen 3.007 N/A THR 436.A OG1 LEU 42.A O no hydrogen 2.758 N/A ALA 438.A N LEU 434.A O no hydrogen 3.095 N/A GLN 439.A N TRP 435.A O no hydrogen 2.786 N/A TYR 440.A N THR 436.A O no hydrogen 3.058 N/A TYR 440.A OH TYR 40.A O no hydrogen 3.084 N/A ASN 441.A N ALA 438.A O no hydrogen 3.305 N/A ASN 441.A ND2 LYS 510.A O no hydrogen 3.314 N/A ILE 442.A N ALA 437.A O no hydrogen 2.900 N/A THR 444.A N ILE 442.A O no hydrogen 2.842 N/A THR 444.A OG1 ALA 406.A O no hydrogen 3.095 N/A ILE 445.A N VAL 418.A O no hydrogen 2.962 N/A PHE 446.A N VAL 513.A O no hydrogen 2.846 N/A VAL 447.A N ALA 420.A O no hydrogen 2.677 N/A ILE 448.A N ILE 515.A O no hydrogen 2.861 N/A MET 449.A N ILE 422.A O no hydrogen 2.767 N/A ASN 450.A N VAL 517.A O no hydrogen 2.783 N/A ASN 450.A ND2 GLU 516.A OE2 no hydrogen 2.958 N/A ASN 451.A N ASP 424.A OD1 no hydrogen 3.396 N/A GLY 452.A N ASN 450.A OD1 no hydrogen 3.091 N/A THR 453.A N ASN 451.A OD1 no hydrogen 3.301 N/A THR 453.A OG1 LEU 472.A O no hydrogen 2.882 N/A THR 453.A OG1 ASP 473.A OD1 no hydrogen 2.827 N/A TYR 454.A N LEU 472.A O no hydrogen 2.807 N/A LEU 457.A N TYR 454.A O no hydrogen 3.053 N/A ARG 458.A N TYR 454.A O no hydrogen 3.154 N/A ARG 458.A NE ASP 473.A OD1 no hydrogen 2.964 N/A ARG 458.A NH2 ASP 473.A OD1 no hydrogen 3.261 N/A ARG 458.A NH2 ASP 473.A OD2 no hydrogen 2.909 N/A TRP 459.A N GLY 455.A O no hydrogen 2.945 N/A PHE 460.A N ALA 456.A O no hydrogen 3.065 N/A ALA 461.A N LEU 457.A O no hydrogen 2.928 N/A GLY 462.A N ARG 458.A O no hydrogen 2.865 N/A VAL 463.A N TRP 459.A O no hydrogen 2.949 N/A LEU 464.A N PHE 460.A O no hydrogen 3.127 N/A GLU 465.A N GLY 462.A O no hydrogen 3.098 N/A ALA 466.A N ALA 461.A O no hydrogen 2.888 N/A VAL 474.A N GLY 452.A O no hydrogen 3.014 N/A PHE 479.A N GLU 516.A OE1 no hydrogen 3.063 N/A ALA 481.A N ASP 478.A OD1 no hydrogen 3.039 N/A LEU 482.A N ASP 478.A O no hydrogen 3.122 N/A ALA 483.A N PHE 479.A O no hydrogen 2.925 N/A LYS 484.A N ARG 480.A O no hydrogen 2.915 N/A GLY 485.A N ALA 481.A O no hydrogen 2.769 N/A TYR 486.A N LEU 482.A O no hydrogen 3.144 N/A TYR 486.A N ALA 483.A O no hydrogen 3.006 N/A GLY 487.A N LYS 484.A O no hydrogen 3.091 N/A VAL 488.A N ALA 483.A O no hydrogen 2.925 N/A LEU 491.A N LEU 514.A O no hydrogen 2.810 N/A ALA 493.A N GLU 516.A O no hydrogen 2.717 N/A ASP 494.A N GLN 498.A OE1 no hydrogen 2.930 N/A GLN 498.A N ASN 495.A OD1 no hydrogen 2.923 N/A LEU 499.A N ASN 495.A O no hydrogen 2.806 N/A LYS 500.A N LEU 496.A O no hydrogen 2.902 N/A GLY 501.A N GLU 497.A O no hydrogen 3.134 N/A SER 502.A N GLN 498.A O no hydrogen 2.830 N/A SER 502.A OG LYS 492.A O no hydrogen 3.430 N/A SER 502.A OG GLN 498.A O no hydrogen 2.830 N/A LEU 503.A N LEU 499.A O no hydrogen 2.953 N/A GLN 504.A N LYS 500.A O no hydrogen 2.925 N/A GLU 505.A N GLY 501.A O no hydrogen 3.089 N/A ALA 506.A N SER 502.A O no hydrogen 2.796 N/A LEU 507.A N LEU 503.A O no hydrogen 2.811 N/A SER 508.A N GLU 505.A O no hydrogen 3.098 N/A SER 508.A OG.A GLN 504.A O no hydrogen 3.149 N/A SER 508.A OG.B GLN 504.A O no hydrogen 3.259 N/A SER 508.A OG.B GLU 505.A O no hydrogen 2.829 N/A ALA 509.A N ALA 506.A O no hydrogen 3.155 N/A VAL 513.A N THR 444.A O no hydrogen 3.179 N/A LEU 514.A N GLN 489.A O no hydrogen 2.860 N/A ILE 515.A N PHE 446.A O no hydrogen 2.815 N/A GLU 516.A N LEU 491.A O no hydrogen 2.752 N/A VAL 517.A N ILE 448.A O no hydrogen 2.800 N/A SER 518.A N ALA 493.A O no hydrogen 2.930 N/A SER 518.A OG ASP 494.A OD1 no hydrogen 2.680 N/A THR 519.A N ASN 450.A O no hydrogen 2.935 N/A VAL 520.A N LEU 349.A O no hydrogen 3.004 N/A SER 521.A OG PRO 522.A O no hydrogen 3.243 N/A