Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tg7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 VAL 6.A O no hydrogen 2.955 N/A VAL 6.A N GLN 3.A OE1 no hydrogen 2.780 N/A THR 7.A N PHE 14.A O no hydrogen 2.931 N/A ASP 9.A N SER 12.A O no hydrogen 3.164 N/A HIS 11.A N ASP 9.A OD1 no hydrogen 2.805 N/A SER 12.A N ASP 9.A OD1 no hydrogen 3.047 N/A SER 12.A OG ILE 13.A O no hydrogen 3.187 N/A PHE 14.A N THR 7.A O no hydrogen 2.682 N/A VAL 15.A N GLU 18.A O no hydrogen 2.851 N/A ASN 16.A N TYR 5.A O no hydrogen 2.744 N/A GLU 18.A N VAL 15.A O no hydrogen 3.117 N/A ARG 19.A NH1 ASP 9.A OD1 no hydrogen 3.012 N/A ARG 19.A NH1 ASP 9.A OD2 no hydrogen 3.268 N/A ARG 19.A NH1 SER 12.A OG no hydrogen 2.926 N/A ARG 19.A NH2 ASP 9.A OD2 no hydrogen 2.652 N/A LEU 20.A N ILE 13.A O no hydrogen 3.113 N/A ILE 22.A N ALA 298.A O no hydrogen 2.931 N/A PHE 23.A N ASN 51.A OD1 no hydrogen 3.374 N/A SER 24.A N LEU 300.A O no hydrogen 2.596 N/A SER 24.A OG ASN 301.A OD1 no hydrogen 2.676 N/A GLY 25.A N CYS 52.A O no hydrogen 3.185 N/A GLU 26.A N LEU 302.A O no hydrogen 2.855 N/A VAL 27.A N SER 54.A O no hydrogen 2.878 N/A HIS 28.A NE2 GLU 26.A OE2 no hydrogen 2.876 N/A ARG 31.A N HIS 28.A O no hydrogen 2.928 N/A ARG 31.A NE ASN 310.A OD1 no hydrogen 2.915 N/A ARG 31.A NH1 HIS 28.A ND1 no hydrogen 2.820 N/A ARG 31.A NH1 ALA 101.A O no hydrogen 3.065 N/A ARG 31.A NH2 ALA 101.A O no hydrogen 2.877 N/A ARG 31.A NH2 ASN 310.A OD1 no hydrogen 2.905 N/A LEU 32.A N PRO 29.A O no hydrogen 3.284 N/A LEU 37.A N VAL 34.A O no hydrogen 2.936 N/A TYR 38.A N ALA 35.A O no hydrogen 3.234 N/A TYR 38.A OH PRO 29.A O no hydrogen 2.766 N/A TYR 38.A OH LEU 32.A O no hydrogen 3.070 N/A ASP 40.A N LEU 37.A O no hydrogen 3.036 N/A ILE 41.A N LEU 37.A O no hydrogen 3.358 N/A PHE 42.A N TYR 38.A O no hydrogen 3.044 N/A GLU 43.A N ILE 39.A O no hydrogen 2.916 N/A LYS 44.A N ASP 40.A O no hydrogen 3.037 N/A LYS 44.A NZ ASP 40.A OD1 no hydrogen 3.209 N/A LYS 44.A NZ ASP 40.A OD2 no hydrogen 2.805 N/A LYS 44.A NZ ARG 333.A O no hydrogen 2.655 N/A VAL 45.A N ILE 41.A O no hydrogen 2.957 N/A LYS 46.A N PHE 42.A O no hydrogen 2.821 N/A LYS 46.A NZ GLY 88.A O no hydrogen 2.829 N/A LYS 46.A NZ GLN 540.A OE1 no hydrogen 3.038 N/A LYS 46.A NZ GLY 549.A O no hydrogen 3.143 N/A LYS 46.A NZ SER 551.A OG no hydrogen 2.716 N/A ALA 47.A N GLU 43.A O no hydrogen 2.951 N/A LEU 48.A N VAL 45.A O no hydrogen 3.040 N/A GLY 49.A N LYS 46.A O no hydrogen 3.003 N/A ASN 51.A N PHE 23.A O no hydrogen 3.250 N/A ASN 51.A ND2 MET 21.A O no hydrogen 2.913 N/A CYS 52.A SG SER 24.A OG no hydrogen 3.665 N/A CYS 52.A SG VAL 53.A O no hydrogen 3.763 N/A CYS 52.A SG TYR 90.A O no hydrogen 3.638 N/A VAL 53.A N TYR 90.A O no hydrogen 2.880 N/A SER 54.A N GLY 25.A O no hydrogen 2.947 N/A SER 54.A OG GLU 26.A OE1 no hydrogen 2.694 N/A PHE 55.A N LEU 92.A O no hydrogen 3.055 N/A TYR 56.A OH ASN 159.A OD1 no hydrogen 2.623 N/A TRP 59.A NE1 GLU 63.A OE1 no hydrogen 2.833 N/A ALA 60.A N ASP 58.A OD1 no hydrogen 3.131 N/A LEU 61.A N ASP 58.A O no hydrogen 3.052 N/A LEU 62.A N TRP 59.A O no hydrogen 2.925 N/A GLU 63.A N TRP 59.A O no hydrogen 3.014 N/A GLY 67.A N GLU 63.A OE2 no hydrogen 2.877 N/A HIS 68.A N ASN 65.A O no hydrogen 3.001 N/A SER 70.A N LEU 62.A O no hydrogen 2.735 N/A PHE 75.A N GLU 72.A O no hydrogen 2.895 N/A ASP 76.A N GLY 73.A O no hydrogen 2.973 N/A GLN 78.A N ASP 76.A OD1 no hydrogen 2.951 N/A GLN 78.A NE2 ASP 82.A OD1 no hydrogen 2.793 N/A PHE 80.A N LEU 77.A O no hydrogen 2.935 N/A PHE 81.A N LEU 77.A O no hydrogen 2.976 N/A ASP 82.A N GLN 78.A O no hydrogen 2.770 N/A ALA 83.A N PRO 79.A O no hydrogen 3.059 N/A ALA 84.A N PHE 80.A O no hydrogen 3.151 N/A LYS 85.A N PHE 81.A O no hydrogen 3.122 N/A LYS 85.A NZ GLY 149.A O no hydrogen 3.462 N/A GLU 86.A N ASP 82.A O no hydrogen 2.892 N/A ALA 87.A N ALA 83.A O no hydrogen 2.887 N/A GLY 88.A N LYS 85.A O no hydrogen 3.134 N/A ILE 89.A N ALA 84.A O no hydrogen 2.782 N/A TYR 90.A N ASN 51.A O no hydrogen 2.906 N/A LEU 91.A N PRO 151.A O no hydrogen 2.828 N/A LEU 92.A N VAL 53.A O no hydrogen 2.895 N/A ALA 93.A N LEU 154.A O no hydrogen 2.978 N/A ARG 94.A N PHE 55.A O no hydrogen 2.848 N/A ARG 94.A NH1 GLN 156.A OE1 no hydrogen 2.837 N/A ARG 94.A NH1 GLU 259.A OE2 no hydrogen 3.002 N/A ARG 94.A NH2 GLU 26.A OE2 no hydrogen 2.894 N/A ARG 94.A NH2 GLU 259.A OE2 no hydrogen 3.199 N/A TYR 98.A OH ASN 100.A OD1 no hydrogen 2.591 N/A ILE 99.A N GLY 106.A O no hydrogen 2.982 N/A ASN 100.A N GLY 106.A O no hydrogen 2.853 N/A GLU 102.A N GLU 767.A OE2 no hydrogen 2.735 N/A VAL 103.A N ASN 100.A O no hydrogen 3.171 N/A SER 104.A N LEU 314.A O no hydrogen 2.724 N/A GLY 105.A N LEU 765.A O no hydrogen 2.746 N/A GLY 106.A N VAL 103.A O no hydrogen 2.871 N/A GLY 107.A N SER 104.A O no hydrogen 3.071 N/A PHE 108.A N GLY 105.A O no hydrogen 3.058 N/A TRP 111.A NE1 GLU 63.A O no hydrogen 2.833 N/A LEU 112.A N PRO 109.A O no hydrogen 2.994 N/A GLN 113.A N GLY 110.A O no hydrogen 2.966 N/A GLN 113.A NE2 MET 776.A O no hydrogen 2.893 N/A GLN 113.A NE2 ASN 778.A O no hydrogen 2.932 N/A ARG 114.A N TRP 111.A O no hydrogen 2.950 N/A ARG 114.A NH1 SER 682.A O no hydrogen 2.966 N/A ARG 114.A NH1 GLU 806.A OE2 no hydrogen 2.646 N/A ARG 114.A NH2 GLU 806.A OE1 no hydrogen 3.047 N/A ARG 114.A NH2 GLU 806.A OE2 no hydrogen 3.266 N/A VAL 115.A N LEU 112.A O no hydrogen 3.162 N/A GLY 117.A N VAL 115.A O no hydrogen 2.907 N/A ILE 118.A N ASP 123.A OD2 no hydrogen 2.835 N/A LEU 119.A N GLU 774.A OE1 no hydrogen 2.968 N/A ARG 120.A NE GLU 158.A OE2 no hydrogen 3.067 N/A ARG 120.A NH1 ASP 768.A O no hydrogen 2.910 N/A ARG 120.A NH1 TRP 769.A O no hydrogen 3.049 N/A ARG 120.A NH2 GLU 158.A OE1 no hydrogen 2.829 N/A ARG 120.A NH2 GLU 160.A O no hydrogen 3.565 N/A THR 121.A OG1 ILE 118.A O no hydrogen 2.664 N/A SER 122.A OG ASP 173.A OD2 no hydrogen 2.606 N/A ASP 123.A N THR 121.A OG1 no hydrogen 3.109 N/A LEU 127.A N ASP 123.A O no hydrogen 3.129 N/A LYS 128.A N GLU 124.A O no hydrogen 3.018 N/A ALA 129.A N ALA 125.A O no hydrogen 3.148 N/A THR 130.A N TYR 126.A O no hydrogen 3.308 N/A THR 130.A N LEU 127.A O no hydrogen 3.141 N/A THR 130.A OG1 LEU 127.A O no hydrogen 2.778 N/A ASP 131.A N LYS 128.A O no hydrogen 3.252 N/A ASN 132.A ND2 GLU 63.A OE2 no hydrogen 2.911 N/A TYR 133.A OH PRO 95.A O no hydrogen 2.727 N/A ALA 134.A N THR 130.A O no hydrogen 2.905 N/A SER 135.A N ASP 131.A O no hydrogen 3.001 N/A SER 135.A OG ASP 131.A O no hydrogen 3.251 N/A SER 135.A OG ASN 132.A O no hydrogen 3.156 N/A ASN 136.A N ASN 132.A O no hydrogen 3.193 N/A ASN 136.A ND2 ASN 132.A O no hydrogen 2.812 N/A ILE 137.A N TYR 133.A O no hydrogen 2.867 N/A ALA 138.A N ALA 134.A O no hydrogen 3.116 N/A ALA 139.A N SER 135.A O no hydrogen 3.176 N/A THR 140.A N ASN 136.A O no hydrogen 3.171 N/A THR 140.A OG1 ASN 136.A O no hydrogen 3.295 N/A ILE 141.A N ILE 137.A O no hydrogen 2.939 N/A ALA 142.A N ALA 138.A O no hydrogen 2.745 N/A LYS 143.A N ALA 139.A O no hydrogen 3.346 N/A ALA 144.A N ILE 141.A O no hydrogen 2.995 N/A GLN 145.A N ALA 142.A O no hydrogen 3.305 N/A GLN 145.A NE2 ALA 142.A O no hydrogen 2.897 N/A GLN 145.A NE2 GLY 188.A O no hydrogen 2.992 N/A ILE 146.A N ILE 152.A O no hydrogen 2.824 N/A ASN 148.A N GLN 145.A O no hydrogen 2.821 N/A ASN 148.A ND2 ALA 142.A O no hydrogen 2.765 N/A GLY 149.A N ILE 146.A O no hydrogen 3.036 N/A GLY 150.A N GLN 145.A O no hydrogen 2.775 N/A ILE 152.A N ALA 144.A O no hydrogen 3.071 N/A ILE 153.A N LEU 91.A O no hydrogen 2.944 N/A TYR 155.A N PRO 192.A O no hydrogen 3.066 N/A GLN 156.A N ALA 93.A O no hydrogen 2.851 N/A GLN 156.A NE2 GLU 158.A O no hydrogen 2.894 N/A GLN 156.A NE2 ASN 159.A OD1 no hydrogen 3.086 N/A GLU 158.A N GLY 96.A O no hydrogen 2.946 N/A ASN 159.A N GLU 158.A OE1 no hydrogen 2.765 N/A GLU 160.A N ASN 196.A OD1 no hydrogen 2.963 N/A SER 162.A OG ASP 197.A OD1 no hydrogen 2.602 N/A CYS 165.A N ILE 771.A O no hydrogen 2.904 N/A TYR 168.A N CYS 165.A O no hydrogen 3.243 N/A ASP 173.A N TYR 161.A OH no hydrogen 2.811 N/A SER 175.A OG ASP 173.A OD1 no hydrogen 2.636 N/A TYR 176.A N ASP 173.A O no hydrogen 2.981 N/A TYR 176.A N ASP 173.A OD1 no hydrogen 3.286 N/A TYR 176.A OH GLU 158.A OE2 no hydrogen 2.648 N/A MET 177.A N ASP 173.A O no hydrogen 3.360 N/A GLN 178.A N GLY 174.A O no hydrogen 2.987 N/A GLN 178.A NE2 ASP 182.A OD1 no hydrogen 2.850 N/A TYR 179.A N SER 175.A O no hydrogen 2.902 N/A TYR 179.A OH ASP 131.A OD1 no hydrogen 2.718 N/A ILE 180.A N TYR 176.A O no hydrogen 3.246 N/A GLU 181.A N MET 177.A O no hydrogen 2.932 N/A ASP 182.A N GLN 178.A O no hydrogen 2.700 N/A HIS 183.A N TYR 179.A O no hydrogen 2.985 N/A ALA 184.A N ILE 180.A O no hydrogen 3.075 N/A ARG 185.A N GLU 181.A O no hydrogen 2.988 N/A ARG 185.A NH1 ILE 189.A O no hydrogen 2.868 N/A ARG 185.A NH1 VAL 191.A O no hydrogen 2.917 N/A ARG 185.A NH2 VAL 191.A O no hydrogen 3.254 N/A ASP 186.A N ASP 182.A O no hydrogen 2.846 N/A ALA 187.A N HIS 183.A O no hydrogen 3.094 N/A ALA 187.A N ALA 184.A O no hydrogen 2.988 N/A GLY 188.A N ARG 185.A O no hydrogen 2.953 N/A ILE 189.A N ALA 184.A O no hydrogen 3.052 N/A VAL 190.A N GLN 145.A OE1 no hydrogen 2.800 N/A VAL 191.A N GLN 145.A OE1 no hydrogen 3.175 N/A PHE 193.A N ASP 214.A OD2 no hydrogen 2.809 N/A ILE 194.A N TYR 155.A O no hydrogen 2.946 N/A SER 195.A N ILE 215.A O no hydrogen 3.207 N/A SER 195.A OG GLY 217.A O no hydrogen 3.293 N/A ASN 196.A ND2 ASN 159.A OD1 no hydrogen 2.998 N/A ASN 196.A ND2 ASP 219.A OD2 no hydrogen 3.246 N/A ASN 196.A ND2 GLU 259.A OE2 no hydrogen 3.107 N/A ASP 197.A N GLY 217.A O no hydrogen 2.915 N/A ALA 198.A N SER 162.A OG no hydrogen 2.791 N/A ALA 201.A N TRP 199.A O no hydrogen 2.774 N/A GLY 202.A N TYR 216.A OH no hydrogen 2.896 N/A HIS 203.A N ASP 197.A OD2 no hydrogen 3.009 N/A HIS 203.A ND1 ASP 197.A OD1 no hydrogen 2.799 N/A ALA 205.A N GLY 202.A O no hydrogen 3.313 N/A THR 208.A N ALA 205.A O no hydrogen 3.088 N/A THR 208.A OG1 ALA 205.A O no hydrogen 2.608 N/A GLY 211.A N GLN 178.A OE1 no hydrogen 2.755 N/A ALA 212.A N GLY 209.A O no hydrogen 3.078 N/A VAL 213.A N ASN 204.A O no hydrogen 2.934 N/A ASP 214.A N PHE 193.A O no hydrogen 2.998 N/A ILE 215.A N PHE 193.A O no hydrogen 3.019 N/A TYR 216.A OH ASP 197.A OD2 no hydrogen 2.691 N/A GLY 217.A N SER 195.A OG no hydrogen 3.054 N/A HIS 218.A N SER 256.A O no hydrogen 3.280 N/A HIS 218.A ND1 ASP 219.A O no hydrogen 3.037 N/A ASP 219.A N ASP 197.A O no hydrogen 2.700 N/A SER 220.A N GLU 259.A O no hydrogen 2.914 N/A TYR 221.A OH GLU 259.A OE1 no hydrogen 2.608 N/A LEU 223.A N GLN 261.A OE1 no hydrogen 2.982 N/A GLY 224.A N TYR 221.A O no hydrogen 3.119 N/A ALA 228.A N ASP 226.A OD1 no hydrogen 3.125 N/A THR 232.A N ASN 229.A O no hydrogen 2.929 N/A ASN 237.A N PRO 234.A O no hydrogen 3.301 N/A ASN 237.A ND2 PRO 222.A O no hydrogen 2.906 N/A SER 245.A N TYR 241.A O no hydrogen 2.974 N/A SER 245.A OG TYR 241.A O no hydrogen 3.430 N/A HIS 246.A N PHE 242.A O no hydrogen 2.998 N/A HIS 246.A NE2 THR 253.A O no hydrogen 2.796 N/A GLU 247.A N HIS 243.A O no hydrogen 3.058 N/A GLN 248.A N THR 244.A O no hydrogen 3.269 N/A GLN 248.A N SER 245.A O no hydrogen 3.153 N/A GLN 249.A N SER 245.A O no hydrogen 2.830 N/A GLN 249.A NE2 ALA 200.A O no hydrogen 2.934 N/A SER 250.A N HIS 246.A O no hydrogen 2.892 N/A SER 250.A OG THR 253.A OG1 no hydrogen 2.726 N/A THR 253.A N SER 250.A O no hydrogen 3.183 N/A THR 253.A OG1 SER 250.A O no hydrogen 3.376 N/A THR 253.A OG1 SER 250.A OG no hydrogen 2.726 N/A TYR 255.A OH HIS 218.A NE2 no hydrogen 2.870 N/A SER 256.A OG PRO 254.A O no hydrogen 2.921 N/A LEU 257.A N PHE 299.A O no hydrogen 2.855 N/A VAL 258.A N HIS 218.A O no hydrogen 3.136 N/A PHE 260.A N ASN 301.A O no hydrogen 2.841 N/A GLN 261.A N SER 220.A O no hydrogen 2.990 N/A GLN 261.A NE2 GLY 224.A O no hydrogen 2.786 N/A GLN 261.A NE2 GLY 263.A O no hydrogen 2.950 N/A GLY 262.A N TYR 303.A O no hydrogen 2.857 N/A ALA 264.A N TYR 325.A O no hydrogen 2.999 N/A GLY 269.A N GLY 904.A O no hydrogen 2.885 N/A VAL 271.A N ASP 266.A OD1 no hydrogen 3.085 N/A GLY 272.A N ASP 266.A OD2 no hydrogen 2.792 N/A LYS 275.A N GLY 272.A O no hydrogen 3.282 N/A CYS 276.A SG ALA 264.A O no hydrogen 3.999 N/A ALA 277.A N PHE 273.A O no hydrogen 2.952 N/A ALA 278.A N ALA 274.A O no hydrogen 3.050 N/A LEU 279.A N LYS 275.A O no hydrogen 2.904 N/A LEU 280.A N CYS 276.A O no hydrogen 2.979 N/A GLU 283.A N ASN 281.A OD1 no hydrogen 3.036 N/A PHE 284.A N ASN 281.A OD1 no hydrogen 3.037 N/A GLU 285.A N ASN 281.A O no hydrogen 3.017 N/A ARG 286.A N HIS 282.A O no hydrogen 3.102 N/A ARG 286.A NE ARG 431.A O no hydrogen 2.863 N/A ARG 286.A NH2 GLY 430.A O no hydrogen 3.363 N/A ARG 286.A NH2 ARG 431.A O no hydrogen 3.189 N/A VAL 287.A N GLU 283.A O no hydrogen 3.098 N/A PHE 288.A N PHE 284.A O no hydrogen 2.799 N/A TYR 289.A N GLU 285.A O no hydrogen 2.739 N/A TYR 289.A OH GLN 261.A O no hydrogen 2.742 N/A LYS 290.A NZ SER 433.A O no hydrogen 2.806 N/A LYS 290.A NZ GLU 453.A OE1 no hydrogen 3.112 N/A LYS 290.A NZ GLU 453.A OE2 no hydrogen 2.648 N/A ASN 291.A N VAL 287.A O no hydrogen 3.162 N/A ASN 291.A ND2 PRO 239.A O no hydrogen 2.818 N/A ASP 292.A N PHE 288.A O no hydrogen 3.119 N/A PHE 293.A N TYR 289.A O no hydrogen 3.123 N/A SER 294.A N LYS 290.A O no hydrogen 2.925 N/A SER 294.A N ASN 291.A O no hydrogen 3.074 N/A SER 294.A OG ASN 291.A O no hydrogen 2.547 N/A PHE 295.A N ASP 292.A O no hydrogen 3.058 N/A GLY 296.A N PHE 293.A O no hydrogen 2.870 N/A VAL 297.A N ASP 292.A O no hydrogen 3.489 N/A ALA 298.A N TYR 255.A O no hydrogen 2.856 N/A PHE 299.A N TYR 255.A O no hydrogen 3.407 N/A LEU 300.A N ILE 22.A O no hydrogen 2.745 N/A ASN 301.A N LEU 257.A O no hydrogen 2.975 N/A ASN 301.A ND2 GLU 26.A OE1 no hydrogen 2.896 N/A ASN 301.A ND2 VAL 258.A O no hydrogen 2.928 N/A LEU 302.A N SER 24.A O no hydrogen 2.990 N/A TYR 303.A N PHE 260.A O no hydrogen 3.016 N/A TYR 303.A OH TYR 323.A OH no hydrogen 2.839 N/A ILE 305.A N GLU 26.A O no hydrogen 3.149 N/A PHE 306.A N GLU 26.A O no hydrogen 3.514 N/A THR 309.A N ARG 31.A O no hydrogen 3.025 N/A THR 309.A OG1 GLU 331.A OE2 no hydrogen 2.577 N/A ASN 310.A N THR 321.A O no hydrogen 2.718 N/A ASN 310.A ND2 TYR 320.A O no hydrogen 2.933 N/A ASN 310.A ND2 THR 321.A O no hydrogen 3.216 N/A TRP 311.A NE1 TYR 30.A O no hydrogen 2.809 N/A GLY 312.A N GLN 895.A O no hydrogen 2.746 N/A ASN 313.A ND2 LEU 816.A O no hydrogen 2.914 N/A LEU 314.A N TRP 311.A O no hydrogen 3.117 N/A HIS 316.A N GLU 102.A O no hydrogen 3.286 N/A GLY 319.A N HIS 316.A O no hydrogen 3.279 N/A TYR 320.A OH ASP 266.A OD2 no hydrogen 2.584 N/A SER 322.A N GLN 906.A OE1 no hydrogen 3.161 N/A SER 322.A OG GLU 331.A OE1 no hydrogen 2.602 N/A TYR 323.A N GLY 308.A O no hydrogen 3.219 N/A TYR 323.A OH GLU 102.A OE1 no hydrogen 2.635 N/A TYR 323.A OH TYR 303.A OH no hydrogen 2.839 N/A ASP 324.A N SER 322.A OG no hydrogen 3.210 N/A GLY 326.A N ASP 324.A OD2 no hydrogen 2.803 N/A SER 327.A N ASP 324.A O no hydrogen 3.293 N/A SER 327.A OG ILE 305.A O no hydrogen 3.304 N/A SER 327.A OG ASP 324.A O no hydrogen 3.141 N/A SER 327.A OG ILE 329.A O no hydrogen 2.811 N/A ILE 329.A N ILE 305.A O no hydrogen 3.020 N/A SER 330.A N ASN 334.A O no hydrogen 2.907 N/A SER 330.A OG SER 332.A OG no hydrogen 2.996 N/A GLU 331.A N ASP 324.A OD1 no hydrogen 2.822 N/A SER 332.A N SER 330.A OG no hydrogen 3.258 N/A SER 332.A OG SER 330.A OG no hydrogen 2.996 N/A SER 332.A OG TYR 872.A OH no hydrogen 2.788 N/A ARG 333.A N SER 330.A O no hydrogen 2.755 N/A ARG 333.A NH1 ASP 40.A OD2 no hydrogen 2.825 N/A ARG 333.A NH1 ASP 868.A OD1 no hydrogen 3.570 N/A ARG 333.A NH1 ASP 868.A OD2 no hydrogen 2.919 N/A ARG 333.A NH2 ASP 868.A OD1 no hydrogen 2.791 N/A ASN 334.A N SER 330.A OG no hydrogen 3.071 N/A ILE 335.A N TYR 566.A OH no hydrogen 2.963 N/A THR 336.A OG1 ASN 334.A OD1 no hydrogen 3.432 N/A ARG 337.A NH1 ASP 324.A OD1 no hydrogen 3.476 N/A ARG 337.A NH1 ASP 324.A OD2 no hydrogen 2.966 N/A ARG 337.A NH1 SER 327.A O no hydrogen 2.872 N/A ARG 337.A NH2 ASP 324.A OD1 no hydrogen 3.455 N/A ARG 337.A NH2 ASP 324.A OD2 no hydrogen 2.953 N/A LYS 339.A NZ GLY 262.A O no hydrogen 2.904 N/A LYS 339.A NZ LEU 280.A O no hydrogen 2.761 N/A LYS 339.A NZ GLY 326.A O no hydrogen 2.761 N/A TYR 340.A N ARG 337.A O no hydrogen 2.907 N/A TYR 340.A OH LYS 44.A O no hydrogen 2.703 N/A GLU 342.A N GLU 338.A O no hydrogen 3.000 N/A LEU 343.A N LYS 339.A O no hydrogen 3.050 N/A LYS 344.A N TYR 340.A O no hydrogen 3.075 N/A LYS 344.A NZ TYR 534.A O no hydrogen 2.686 N/A LYS 344.A NZ TYR 536.A O no hydrogen 2.870 N/A LEU 345.A N SER 341.A O no hydrogen 3.397 N/A LEU 345.A N GLU 342.A O no hydrogen 3.083 N/A GLY 347.A N LEU 343.A O no hydrogen 2.859 N/A ASN 348.A N LYS 344.A O no hydrogen 3.001 N/A ASN 348.A ND2 LYS 344.A O no hydrogen 2.890 N/A PHE 349.A N LEU 345.A O no hydrogen 3.165 N/A ALA 350.A N LEU 346.A O no hydrogen 3.079 N/A LYS 351.A N GLY 347.A O no hydrogen 3.126 N/A LYS 351.A NZ GLN 540.A OE1 no hydrogen 2.965 N/A VAL 352.A N PHE 349.A O no hydrogen 3.250 N/A SER 353.A N ALA 350.A O no hydrogen 3.313 N/A SER 353.A OG PHE 349.A O no hydrogen 2.671 N/A SER 353.A OG TYR 440.A OH no hydrogen 2.759 N/A TYR 356.A N SER 353.A O no hydrogen 3.080 N/A TYR 356.A OH PHE 293.A O no hydrogen 3.345 N/A TYR 356.A OH VAL 297.A O no hydrogen 2.773 N/A LEU 357.A N PRO 354.A O no hydrogen 3.215 N/A ALA 359.A N TYR 356.A O no hydrogen 3.321 N/A ASN 360.A N LEU 381.A O no hydrogen 2.772 N/A GLY 362.A N PRO 379.A O no hydrogen 2.707 N/A SER 365.A N VAL 377.A O no hydrogen 2.932 N/A SER 365.A OG THR 368.A OG1 no hydrogen 3.178 N/A SER 367.A N SER 365.A OG no hydrogen 3.148 N/A THR 368.A N SER 365.A OG no hydrogen 2.978 N/A THR 368.A OG1 SER 365.A OG no hydrogen 3.178 N/A ASN 371.A N LYS 407.A O no hydrogen 3.273 N/A THR 372.A N THR 370.A OG1 no hydrogen 3.084 N/A ASP 374.A N THR 372.A OG1 no hydrogen 3.172 N/A LEU 375.A N THR 372.A O no hydrogen 3.312 N/A THR 376.A N ARG 394.A O no hydrogen 2.796 N/A THR 376.A OG1 SER 396.A OG no hydrogen 2.846 N/A VAL 377.A N SER 365.A O no hydrogen 2.981 N/A THR 378.A N VAL 392.A O no hydrogen 2.913 N/A LEU 380.A N PHE 390.A O no hydrogen 2.805 N/A LEU 381.A N ASN 360.A O no hydrogen 2.988 N/A GLY 382.A N SER 389.A OG no hydrogen 2.975 N/A SER 386.A N ASN 384.A OD1 no hydrogen 3.006 N/A SER 386.A OG ASN 384.A OD1 no hydrogen 3.034 N/A ALA 387.A N ASN 384.A O no hydrogen 3.089 N/A SER 389.A N THR 438.A O no hydrogen 3.079 N/A PHE 390.A N LEU 380.A O no hydrogen 2.792 N/A PHE 391.A N HIS 436.A O no hydrogen 2.879 N/A VAL 392.A N THR 378.A O no hydrogen 3.018 N/A ILE 393.A N LYS 434.A O no hydrogen 2.941 N/A ARG 394.A N THR 376.A O no hydrogen 2.955 N/A ARG 394.A NH1 HIS 395.A O no hydrogen 2.985 N/A ARG 394.A NH1 SER 396.A O no hydrogen 3.171 N/A HIS 395.A NE2 SER 429.A O no hydrogen 2.807 N/A SER 396.A N ASP 374.A O no hydrogen 2.846 N/A SER 396.A OG ALA 373.A O no hydrogen 2.728 N/A SER 396.A OG THR 376.A OG1 no hydrogen 2.846 N/A TYR 398.A OH PRO 234.A O no hydrogen 2.510 N/A SER 399.A N ASP 397.A OD1 no hydrogen 3.279 N/A SER 399.A OG ASP 397.A OD1 no hydrogen 2.932 N/A SER 400.A N ASP 397.A O no hydrogen 2.849 N/A ALA 402.A N SER 400.A OG no hydrogen 3.139 N/A VAL 404.A N LEU 428.A O no hydrogen 2.987 N/A TYR 406.A N LEU 426.A O no hydrogen 2.803 N/A LYS 407.A N ASN 371.A OD1 no hydrogen 2.951 N/A LEU 408.A N ILE 419.A O no hydrogen 2.738 N/A THR 409.A N TYR 369.A O no hydrogen 2.841 N/A THR 409.A OG1 THR 368.A O no hydrogen 3.030 N/A THR 409.A OG1 THR 409.A O no hydrogen 2.644 N/A VAL 410.A N LEU 417.A O no hydrogen 3.138 N/A THR 412.A N GLY 415.A O no hydrogen 3.069 N/A THR 412.A OG1 GLY 415.A O no hydrogen 2.831 N/A SER 413.A N ASP 439.A OD2 no hydrogen 2.862 N/A SER 413.A OG ASP 439.A OD1 no hydrogen 2.563 N/A SER 413.A OG ASP 439.A OD2 no hydrogen 3.533 N/A ALA 414.A N THR 412.A OG1 no hydrogen 3.002 N/A GLY 415.A N THR 412.A O no hydrogen 2.862 N/A LEU 417.A N VAL 410.A O no hydrogen 2.973 N/A ILE 419.A N LEU 408.A O no hydrogen 2.738 N/A GLN 421.A N GLU 477.A OE1 no hydrogen 2.768 N/A LEU 422.A N GLU 477.A OE2 no hydrogen 2.931 N/A LEU 426.A N TYR 406.A O no hydrogen 2.775 N/A LEU 428.A N VAL 404.A O no hydrogen 2.886 N/A ARG 431.A N SER 400.A O no hydrogen 2.941 N/A ARG 431.A NE SER 399.A O no hydrogen 2.916 N/A ARG 431.A NH1 SER 231.A O no hydrogen 2.922 N/A ARG 431.A NH2 SER 231.A O no hydrogen 3.077 N/A ARG 431.A NH2 SER 399.A O no hydrogen 3.408 N/A SER 433.A N ASP 432.A OD1 no hydrogen 2.725 N/A SER 433.A OG ILE 393.A O no hydrogen 2.756 N/A LYS 434.A N ILE 393.A O no hydrogen 3.142 N/A LYS 434.A NZ ASP 432.A OD2 no hydrogen 2.917 N/A LYS 434.A NZ GLU 474.A OE1 no hydrogen 3.043 N/A LYS 434.A NZ GLU 474.A OE2 no hydrogen 2.986 N/A ILE 435.A N GLU 453.A OE2 no hydrogen 2.955 N/A HIS 436.A N PHE 391.A O no hydrogen 2.912 N/A VAL 437.A N SER 450.A O no hydrogen 3.227 N/A THR 438.A N SER 389.A O no hydrogen 3.051 N/A THR 438.A OG1 SER 389.A O no hydrogen 3.440 N/A ASP 439.A N LEU 448.A O no hydrogen 2.738 N/A TYR 440.A N ILE 447.A O no hydrogen 2.905 N/A TYR 440.A OH SER 353.A OG no hydrogen 2.759 N/A VAL 442.A N THR 445.A O no hydrogen 2.884 N/A GLY 444.A N ASP 441.A OD2 no hydrogen 2.884 N/A THR 445.A N VAL 442.A O no hydrogen 2.991 N/A ASN 446.A ND2 ASP 439.A OD1 no hydrogen 3.059 N/A ASN 446.A ND2 SER 481.A OG no hydrogen 2.866 N/A ILE 447.A N TYR 440.A O no hydrogen 2.806 N/A TYR 449.A OH GLN 421.A OE1 no hydrogen 3.055 N/A TYR 449.A OH GLU 477.A OE1 no hydrogen 2.505 N/A SER 450.A N VAL 437.A O no hydrogen 2.986 N/A SER 450.A OG ALA 452.A O no hydrogen 2.800 N/A THR 451.A N GLU 477.A O no hydrogen 3.088 N/A THR 451.A OG1 HIS 476.A ND1 no hydrogen 2.726 N/A THR 451.A OG1 GLU 477.A O no hydrogen 3.293 N/A GLU 453.A N TYR 469.A O no hydrogen 3.096 N/A PHE 455.A N VAL 467.A O no hydrogen 2.841 N/A TRP 457.A NE1 VAL 352.A O no hydrogen 2.886 N/A LYS 458.A N VAL 465.A O no hydrogen 2.891 N/A LYS 458.A NZ THR 556.A O no hydrogen 2.582 N/A LYS 459.A NZ ASN 461.A O no hydrogen 2.533 N/A PHE 460.A N GLU 463.A O no hydrogen 2.599 N/A ASN 461.A ND2 SER 597.A OG no hydrogen 3.137 N/A GLU 463.A N PHE 460.A O no hydrogen 2.845 N/A LYS 464.A N SER 522.A O no hydrogen 2.989 N/A LYS 464.A NZ ALA 443.A O no hydrogen 2.885 N/A LYS 464.A NZ THR 445.A OG1 no hydrogen 2.676 N/A VAL 465.A N LYS 458.A O no hydrogen 2.797 N/A LEU 466.A N LYS 524.A O no hydrogen 2.945 N/A VAL 467.A N THR 456.A O no hydrogen 2.871 N/A LEU 468.A N PHE 526.A O no hydrogen 2.910 N/A TYR 469.A N GLU 453.A O no hydrogen 2.992 N/A GLY 470.A N LEU 528.A O no hydrogen 3.069 N/A GLY 471.A N GLU 474.A OE1 no hydrogen 2.825 N/A HIS 476.A N TRP 509.A O no hydrogen 2.770 N/A HIS 476.A ND1 THR 451.A OG1 no hydrogen 2.726 N/A HIS 476.A NE2 GLU 474.A OE1 no hydrogen 2.676 N/A GLU 477.A N THR 451.A OG1 no hydrogen 2.976 N/A PHE 478.A N VAL 507.A O no hydrogen 2.912 N/A ALA 479.A N TYR 449.A O no hydrogen 2.938 N/A VAL 480.A N LEU 505.A O no hydrogen 2.940 N/A SER 481.A N ASN 446.A O no hydrogen 2.965 N/A GLY 482.A N LYS 503.A O no hydrogen 2.882 N/A ALA 483.A N VAL 480.A O no hydrogen 3.384 N/A SER 486.A N SER 485.A OG no hydrogen 2.666 N/A SER 486.A OG SER 498.A OG no hydrogen 2.750 N/A SER 487.A N GLN 519.A O no hydrogen 2.970 N/A VAL 489.A N ILE 517.A O no hydrogen 2.784 N/A SER 494.A N SER 492.A OG no hydrogen 2.996 N/A ILE 496.A N SER 493.A O no hydrogen 3.217 N/A SER 497.A N ALA 508.A O no hydrogen 2.962 N/A SER 498.A OG SER 486.A OG no hydrogen 2.750 N/A LYS 499.A N VAL 506.A O no hydrogen 2.836 N/A LYS 500.A NZ GLY 502.A O no hydrogen 3.286 N/A VAL 501.A N ALA 504.A O no hydrogen 2.801 N/A ALA 504.A N VAL 501.A O no hydrogen 3.326 N/A LEU 505.A N VAL 480.A O no hydrogen 2.953 N/A VAL 506.A N LYS 499.A O no hydrogen 2.779 N/A VAL 507.A N PHE 478.A O no hydrogen 2.809 N/A ALA 508.A N SER 497.A O no hydrogen 2.838 N/A TRP 509.A N HIS 476.A O no hydrogen 2.909 N/A VAL 511.A N GLU 474.A O no hydrogen 2.973 N/A ALA 514.A N SER 512.A OG no hydrogen 3.017 N/A ARG 515.A NE GLU 490.A OE2 no hydrogen 2.723 N/A ARG 515.A NH1 TYR 536.A OH no hydrogen 2.936 N/A ARG 515.A NH1 GLU 591.A OE1 no hydrogen 2.673 N/A ARG 515.A NH2 GLU 490.A OE1 no hydrogen 2.825 N/A ARG 515.A NH2 GLU 490.A OE2 no hydrogen 3.389 N/A ARG 515.A NH2 GLU 591.A OE1 no hydrogen 2.803 N/A ARG 516.A N LEU 527.A O no hydrogen 3.343 N/A ARG 516.A NE ALA 514.A O no hydrogen 2.767 N/A ARG 516.A NH2 ASP 510.A O no hydrogen 2.741 N/A ILE 517.A N GLU 490.A O no hydrogen 3.093 N/A VAL 518.A N VAL 525.A O no hydrogen 2.979 N/A GLN 519.A N SER 487.A O no hydrogen 2.699 N/A GLN 519.A NE2 GLY 521.A O no hydrogen 2.840 N/A VAL 520.A N LEU 523.A O no hydrogen 2.771 N/A LEU 523.A N VAL 520.A O no hydrogen 3.004 N/A LYS 524.A N LYS 464.A O no hydrogen 2.782 N/A LYS 524.A NZ GLN 519.A OE1 no hydrogen 2.626 N/A LYS 524.A NZ ASN 616.A OD1 no hydrogen 2.898 N/A VAL 525.A N VAL 518.A O no hydrogen 2.842 N/A PHE 526.A N LEU 466.A O no hydrogen 2.775 N/A LEU 527.A N ARG 516.A O no hydrogen 2.786 N/A LEU 528.A N LEU 468.A O no hydrogen 2.935 N/A ARG 530.A N GLY 470.A O no hydrogen 2.805 N/A SER 532.A N ASP 529.A O no hydrogen 3.104 N/A SER 532.A OG ASP 529.A OD1 no hydrogen 2.490 N/A ALA 533.A N ASP 529.A O no hydrogen 3.154 N/A TYR 534.A N ARG 530.A O no hydrogen 2.977 N/A TYR 534.A OH GLU 338.A OE2 no hydrogen 2.784 N/A ASN 535.A N SER 532.A O no hydrogen 2.978 N/A TYR 536.A N ALA 533.A O no hydrogen 3.044 N/A TRP 537.A N VAL 562.A O no hydrogen 2.743 N/A GLN 540.A NE2 PRO 548.A O no hydrogen 2.781 N/A GLN 540.A NE2 GLY 549.A O no hydrogen 2.902 N/A GLN 540.A NE2 TYR 550.A O no hydrogen 3.635 N/A SER 551.A OG GLN 540.A OE1 no hydrogen 3.241 N/A ASN 552.A N THR 555.A OG1 no hydrogen 2.956 N/A GLN 553.A N GLU 18.A OE1 no hydrogen 2.806 N/A THR 555.A N ASN 552.A OD1 no hydrogen 2.720 N/A THR 555.A OG1 TYR 550.A O no hydrogen 2.847 N/A THR 555.A OG1 ASN 552.A O no hydrogen 3.267 N/A THR 555.A OG1 ASN 552.A OD1 no hydrogen 3.231 N/A THR 556.A N ASN 552.A O no hydrogen 2.909 N/A THR 556.A OG1 ASN 552.A O no hydrogen 2.734 N/A ALA 557.A N GLN 553.A O no hydrogen 2.931 N/A SER 558.A N GLU 554.A O no hydrogen 3.193 N/A SER 558.A OG GLU 554.A O no hydrogen 3.223 N/A SER 559.A N THR 556.A O no hydrogen 3.322 N/A SER 559.A OG THR 555.A O no hydrogen 2.831 N/A SER 559.A OG THR 556.A O no hydrogen 3.363 N/A ILE 560.A N PRO 539.A O no hydrogen 3.035 N/A ILE 561.A N VAL 593.A O no hydrogen 3.115 N/A VAL 562.A N TRP 537.A O no hydrogen 2.853 N/A LYS 563.A N GLU 591.A O no hydrogen 2.817 N/A LYS 563.A NZ GLU 591.A OE2 no hydrogen 2.611 N/A ALA 564.A N ASN 535.A O no hydrogen 2.948 N/A LEU 567.A N ASP 583.A O no hydrogen 3.282 N/A ARG 569.A N GLN 581.A O no hydrogen 2.734 N/A ARG 569.A NE ASP 583.A OD1 no hydrogen 2.819 N/A ARG 569.A NH1 ASP 40.A OD1 no hydrogen 2.852 N/A ARG 569.A NH1 GLU 43.A OE1 no hydrogen 2.923 N/A ARG 569.A NH2 ASP 40.A OD1 no hydrogen 2.812 N/A ARG 569.A NH2 ASP 583.A OD1 no hydrogen 3.500 N/A ARG 569.A NH2 ASP 583.A OD2 no hydrogen 2.949 N/A SER 570.A N GLN 581.A O no hydrogen 3.313 N/A TYR 572.A N HIS 579.A O no hydrogen 2.899 N/A ASP 574.A N ASP 577.A O no hydrogen 2.880 N/A ASP 577.A N ASP 574.A O no hydrogen 3.058 N/A LEU 578.A N ASN 601.A O no hydrogen 2.823 N/A HIS 579.A N TYR 572.A O no hydrogen 2.755 N/A ILE 580.A N VAL 603.A O no hydrogen 2.874 N/A GLN 581.A N SER 570.A O no hydrogen 2.839 N/A ALA 582.A N ASN 605.A OD1 no hydrogen 2.879 N/A ASP 583.A N LEU 567.A O no hydrogen 2.959 N/A PHE 584.A N LEU 950.A O no hydrogen 2.798 N/A THR 588.A N VAL 623.A O no hydrogen 2.808 N/A THR 588.A OG1 ALA 586.A O no hydrogen 2.669 N/A ILE 590.A N ALA 621.A O no hydrogen 2.681 N/A GLU 591.A N LYS 563.A O no hydrogen 2.940 N/A VAL 592.A N TRP 619.A O no hydrogen 2.848 N/A VAL 593.A N ILE 561.A O no hydrogen 2.711 N/A ALA 599.A N PRO 596.A O no hydrogen 2.947 N/A LYS 600.A N ASN 576.A O no hydrogen 2.707 N/A ASN 601.A N ASN 576.A O no hydrogen 2.969 N/A ASN 601.A ND2 ASN 576.A OD1 no hydrogen 3.458 N/A ASN 601.A ND2 ASP 577.A OD1 no hydrogen 3.070 N/A VAL 603.A N LEU 578.A O no hydrogen 2.880 N/A ILE 604.A N LYS 607.A O no hydrogen 3.024 N/A ASN 605.A N ILE 580.A O no hydrogen 3.067 N/A ASN 605.A ND2 ALA 582.A O no hydrogen 2.802 N/A LYS 607.A N ILE 604.A O no hydrogen 2.950 N/A THR 609.A N LEU 602.A O no hydrogen 2.856 N/A THR 609.A OG1 LYS 607.A O no hydrogen 2.892 N/A LYS 612.A N SER 620.A O no hydrogen 3.020 N/A ASP 614.A N ILE 618.A O no hydrogen 3.302 N/A ASN 616.A ND2 VAL 489.A O no hydrogen 3.092 N/A GLY 617.A N ASP 614.A O no hydrogen 2.873 N/A ILE 618.A N ASP 614.A OD1 no hydrogen 2.962 N/A TRP 619.A N VAL 592.A O no hydrogen 3.041 N/A SER 620.A N LYS 612.A O no hydrogen 2.841 N/A SER 620.A OG LYS 612.A O no hydrogen 3.294 N/A ALA 621.A N ILE 590.A O no hydrogen 2.952 N/A VAL 623.A N THR 588.A O no hydrogen 2.889 N/A TYR 625.A OH PRO 948.A O no hydrogen 2.672 N/A SER 637.A N SER 634.A O no hydrogen 2.854 N/A LEU 638.A N LEU 635.A O no hydrogen 3.186 N/A TRP 640.A NE1 LEU 635.A O no hydrogen 2.965 N/A LYS 641.A N SER 856.A O no hydrogen 2.879 N/A LYS 641.A NZ TRP 838.A O no hydrogen 2.968 N/A LYS 641.A NZ SER 840.A OG no hydrogen 2.907 N/A SER 642.A N ASP 839.A O no hydrogen 2.854 N/A VAL 643.A N PHE 854.A O no hydrogen 3.001 N/A THR 645.A N ILE 852.A O no hydrogen 2.926 N/A THR 645.A OG1 THR 645.A O no hydrogen 2.625 N/A LEU 646.A N ASP 644.A OD1 no hydrogen 2.791 N/A GLU 648.A N GLU 648.A OE1 no hydrogen 2.650 N/A ALA 649.A N LEU 646.A O no hydrogen 3.038 N/A LYS 650.A N PRO 647.A O no hydrogen 3.094 N/A ASN 651.A N GLU 724.A OE2 no hydrogen 3.067 N/A TYR 653.A N LYS 650.A O no hydrogen 3.033 N/A TYR 653.A OH TYR 971.A OXT no hydrogen 2.642 N/A SER 656.A N ASP 654.A OD1 no hydrogen 2.929 N/A SER 656.A OG ASP 654.A OD1 no hydrogen 2.936 N/A SER 656.A OG ASP 654.A OD2 no hydrogen 3.234 N/A TRP 658.A N ASP 655.A O no hydrogen 2.939 N/A TRP 658.A NE1 TYR 653.A OH no hydrogen 2.851 N/A THR 659.A N LEU 799.A O no hydrogen 3.305 N/A THR 659.A OG1 TYR 686.A OH no hydrogen 2.647 N/A ALA 661.A N TRP 797.A O no hydrogen 2.838 N/A HIS 663.A N TYR 684.A OH no hydrogen 3.186 N/A THR 666.A OG1 ASP 683.A OD1 no hydrogen 3.471 N/A THR 666.A OG1 ASP 683.A OD2 no hydrogen 2.689 N/A ASN 667.A N ASP 683.A OD1 no hydrogen 2.846 N/A ASN 668.A N THR 666.A OG1 no hydrogen 2.980 N/A HIS 671.A N ASN 668.A O no hydrogen 3.449 N/A THR 675.A OG1 THR 677.A O no hydrogen 2.581 N/A THR 677.A OG1 ALA 661.A O no hydrogen 2.758 N/A SER 678.A N HIS 663.A O no hydrogen 2.806 N/A SER 678.A OG ASP 683.A OD2 no hydrogen 2.529 N/A PHE 680.A N SER 678.A OG no hydrogen 3.238 N/A ALA 681.A N ARG 780.A O no hydrogen 2.814 N/A SER 682.A OG GLN 113.A OE1 no hydrogen 3.168 N/A ASP 683.A N PHE 680.A O no hydrogen 3.023 N/A TYR 684.A N ALA 681.A O no hydrogen 2.988 N/A TYR 684.A OH SER 678.A O no hydrogen 2.694 N/A GLY 685.A N SER 682.A O no hydrogen 3.186 N/A TYR 686.A N ALA 681.A O no hydrogen 3.105 N/A TYR 686.A OH THR 659.A OG1 no hydrogen 2.647 N/A THR 688.A OG1 LEU 816.A O no hydrogen 2.867 N/A LEU 691.A N ILE 760.A O no hydrogen 2.832 N/A LEU 692.A N THR 800.A O no hydrogen 2.941 N/A PHE 693.A N VAL 758.A O no hydrogen 2.924 N/A ARG 694.A N LYS 798.A O no hydrogen 2.890 N/A ARG 694.A NE ASP 655.A OD2 no hydrogen 2.711 N/A ARG 694.A NH1 GLU 648.A O no hydrogen 2.983 N/A GLY 695.A N ILE 756.A O no hydrogen 2.877 N/A HIS 696.A N SER 796.A O no hydrogen 2.829 N/A HIS 696.A NE2 ASP 655.A OD2 no hydrogen 2.601 N/A PHE 697.A N TYR 754.A O no hydrogen 3.136 N/A THR 698.A OG1 ASN 753.A OD1 no hydrogen 2.730 N/A ALA 699.A N LYS 752.A O no hydrogen 2.932 N/A ASN 700.A N GLU 703.A OE2 no hydrogen 2.799 N/A ASN 700.A ND2 GLY 789.A O no hydrogen 2.765 N/A LYS 702.A N ASN 700.A OD1 no hydrogen 2.715 N/A GLU 703.A N GLU 703.A OE1 no hydrogen 2.691 N/A LYS 704.A N SER 788.A OG no hydrogen 2.896 N/A THR 705.A N SER 788.A OG no hydrogen 3.055 N/A PHE 706.A N TYR 743.A O no hydrogen 2.709 N/A PHE 707.A N SER 786.A O no hydrogen 2.842 N/A VAL 708.A N ALA 741.A O no hydrogen 2.927 N/A GLN 709.A N GLN 784.A O no hydrogen 2.948 N/A THR 710.A N ASN 739.A O no hydrogen 3.141 N/A THR 710.A OG1 TYR 716.A OH no hydrogen 2.665 N/A THR 710.A OG1 HIS 718.A ND1 no hydrogen 2.647 N/A LYS 711.A N GLY 781.A O no hydrogen 2.972 N/A LYS 711.A NZ ASP 737.A OD2 no hydrogen 3.096 N/A GLY 712.A N ASP 737.A O no hydrogen 3.083 N/A GLY 713.A N ASP 737.A O no hydrogen 3.197 N/A ALA 715.A N ASN 736.A O no hydrogen 3.081 N/A TYR 716.A N GLY 713.A O no hydrogen 2.980 N/A TYR 716.A OH THR 710.A OG1 no hydrogen 2.665 N/A HIS 718.A N TRP 730.A O no hydrogen 2.932 N/A HIS 718.A ND1 THR 710.A OG1 no hydrogen 2.647 N/A HIS 718.A NE2 TYR 743.A OH no hydrogen 2.680 N/A SER 719.A N VAL 759.A O no hydrogen 2.946 N/A SER 719.A OG SER 729.A OG no hydrogen 2.663 N/A ILE 720.A N GLY 728.A O no hydrogen 2.817 N/A TRP 721.A N THR 757.A O no hydrogen 2.960 N/A ILE 722.A N THR 725.A O no hydrogen 2.811 N/A ASN 723.A N VAL 755.A O no hydrogen 2.735 N/A ASN 723.A ND2 ASN 651.A OD1 no hydrogen 2.771 N/A THR 725.A N ILE 722.A O no hydrogen 2.960 N/A TYR 726.A OH SER 729.A OG no hydrogen 2.581 N/A VAL 727.A N ILE 720.A O no hydrogen 2.816 N/A GLY 728.A N ILE 720.A O no hydrogen 3.352 N/A SER 729.A OG SER 719.A OG no hydrogen 2.663 N/A SER 729.A OG TYR 726.A OH no hydrogen 2.581 N/A TRP 730.A N HIS 718.A O no hydrogen 2.864 N/A THR 733.A OG1 ASN 736.A OD1 no hydrogen 2.512 N/A ILE 735.A N THR 733.A OG1 no hydrogen 3.167 N/A ASN 736.A N THR 733.A O no hydrogen 3.521 N/A ASN 739.A N THR 710.A O no hydrogen 3.065 N/A ALA 741.A N VAL 708.A O no hydrogen 3.030 N/A TYR 743.A N PHE 706.A O no hydrogen 2.919 N/A TYR 743.A OH HIS 718.A NE2 no hydrogen 2.680 N/A LEU 745.A N LYS 704.A O no hydrogen 2.872 N/A GLN 749.A N TYR 754.A OH no hydrogen 2.901 N/A GLY 751.A N ALA 699.A O no hydrogen 2.801 N/A LYS 752.A N GLN 749.A O no hydrogen 3.085 N/A LYS 752.A NZ GLN 749.A OE1 no hydrogen 2.619 N/A TYR 754.A N PHE 697.A O no hydrogen 2.925 N/A VAL 755.A N ASN 723.A OD1 no hydrogen 2.872 N/A ILE 756.A N GLY 695.A O no hydrogen 2.953 N/A THR 757.A N TRP 721.A O no hydrogen 2.758 N/A VAL 758.A N PHE 693.A O no hydrogen 2.791 N/A VAL 759.A N SER 719.A O no hydrogen 2.863 N/A ILE 760.A N LEU 691.A O no hydrogen 2.721 N/A ASP 761.A N GLY 717.A O no hydrogen 2.910 N/A ASN 762.A ND2 HIS 687.A O no hydrogen 3.011 N/A MET 763.A N GLY 712.A O no hydrogen 2.955 N/A GLY 764.A N ASN 762.A OD1 no hydrogen 2.893 N/A LEU 765.A N SER 104.A OG no hydrogen 2.912 N/A ASP 768.A N TYR 98.A OH no hydrogen 2.690 N/A TRP 769.A NE1 GLU 160.A OE1 no hydrogen 2.884 N/A ILE 771.A N GLY 163.A O no hydrogen 3.141 N/A SER 773.A N THR 770.A O no hydrogen 3.006 N/A SER 773.A OG ASP 768.A OD1 no hydrogen 3.183 N/A SER 773.A OG THR 770.A O no hydrogen 2.845 N/A ASP 775.A N SER 773.A OG no hydrogen 3.232 N/A LYS 777.A N GLU 774.A O no hydrogen 2.907 N/A LYS 777.A NZ VAL 115.A O no hydrogen 3.182 N/A LYS 777.A NZ GLY 117.A O no hydrogen 2.789 N/A LYS 777.A NZ SER 669.A OG no hydrogen 2.814 N/A LYS 777.A NZ GLU 774.A OE2 no hydrogen 2.799 N/A ASN 778.A N ASP 775.A O no hydrogen 2.948 N/A ASN 778.A ND2 ASP 766.A OD2 no hydrogen 2.847 N/A ARG 780.A NE ASN 762.A OD1 no hydrogen 3.313 N/A ARG 780.A NE GLY 764.A O no hydrogen 2.968 N/A ARG 780.A NH1 PRO 779.A O no hydrogen 3.042 N/A ARG 780.A NH2 GLY 764.A O no hydrogen 2.773 N/A ARG 780.A NH2 ASP 766.A OD1 no hydrogen 3.288 N/A ARG 780.A NH2 ASP 766.A OD2 no hydrogen 3.313 N/A GLY 781.A N LYS 711.A O no hydrogen 2.927 N/A ILE 782.A N LEU 679.A O no hydrogen 3.096 N/A ILE 783.A N GLN 709.A O no hydrogen 2.770 N/A GLN 784.A N GLN 709.A O no hydrogen 3.396 N/A TYR 785.A OH ALA 792.A O no hydrogen 2.585 N/A SER 786.A N PHE 707.A O no hydrogen 2.886 N/A SER 788.A N THR 705.A O no hydrogen 3.051 N/A SER 788.A OG THR 705.A O no hydrogen 3.538 N/A GLN 790.A N LEU 787.A O no hydrogen 3.074 N/A GLN 790.A NE2 THR 698.A O no hydrogen 2.911 N/A GLN 790.A NE2 GLU 703.A OE2 no hydrogen 2.894 N/A ALA 794.A N GLU 791.A O no hydrogen 2.871 N/A ILE 795.A N ALA 792.A O no hydrogen 3.169 N/A SER 796.A N HIS 696.A O no hydrogen 2.836 N/A TRP 797.A NE1 TYR 785.A OH no hydrogen 3.213 N/A LYS 798.A N ARG 694.A O no hydrogen 2.978 N/A LYS 798.A NZ SER 656.A O no hydrogen 3.501 N/A LYS 798.A NZ TRP 658.A O no hydrogen 2.894 N/A LYS 798.A NZ SER 660.A OG no hydrogen 2.919 N/A LEU 799.A N THR 659.A O no hydrogen 2.899 N/A THR 800.A N LEU 692.A O no hydrogen 2.937 N/A THR 800.A OG1 GLY 801.A O no hydrogen 2.974 N/A THR 800.A OG1 TYR 971.A OH no hydrogen 2.646 N/A GLY 805.A N ASN 802.A O no hydrogen 2.973 N/A ASN 807.A N GLY 804.A O no hydrogen 2.976 N/A ARG 809.A NH1 LYS 968.A O no hydrogen 2.958 N/A ARG 809.A NH2 LYS 968.A O no hydrogen 3.086 N/A ARG 813.A N ASP 810.A OD1 no hydrogen 2.914 N/A ARG 813.A NH1 ASP 810.A OD2 no hydrogen 2.717 N/A ARG 813.A NH2 ASN 892.A O no hydrogen 3.027 N/A ARG 813.A NH2 PRO 962.A O no hydrogen 2.864 N/A GLY 814.A N ASP 810.A O no hydrogen 3.060 N/A ASN 817.A ND2 GLY 893.A O no hydrogen 2.932 N/A GLY 819.A N GLU 824.A OE2 no hydrogen 2.922 N/A GLY 820.A N ALA 690.A O no hydrogen 2.882 N/A LEU 821.A N GLU 824.A OE1 no hydrogen 3.069 N/A ALA 823.A N THR 645.A OG1 no hydrogen 2.934 N/A ARG 825.A N LEU 821.A O no hydrogen 2.863 N/A ARG 825.A NE TYR 971.A O no hydrogen 2.832 N/A ARG 825.A NH1 GLU 648.A OE2 no hydrogen 3.026 N/A ARG 825.A NH1 GLY 820.A O no hydrogen 2.786 N/A ARG 825.A NH2 GLU 648.A OE2 no hydrogen 2.864 N/A ARG 825.A NH2 TYR 971.A O no hydrogen 3.273 N/A ARG 825.A NH2 TYR 971.A OXT no hydrogen 2.890 N/A GLN 826.A N TYR 822.A O no hydrogen 2.996 N/A GLN 826.A NE2 TYR 971.A O no hydrogen 3.221 N/A GLY 827.A N GLU 824.A O no hydrogen 2.876 N/A PHE 828.A N ALA 823.A O no hydrogen 2.854 N/A GLN 830.A N GLY 827.A O no hydrogen 3.213 N/A THR 835.A N PRO 833.A O no hydrogen 2.977 N/A TRP 838.A N THR 835.A O no hydrogen 2.991 N/A ASP 839.A N SER 642.A O no hydrogen 3.016 N/A PHE 844.A N SER 842.A OG no hydrogen 3.144 N/A THR 845.A N SER 842.A O no hydrogen 2.943 N/A GLY 846.A N SER 842.A O no hydrogen 3.002 N/A LEU 847.A N ALA 936.A O no hydrogen 2.814 N/A GLY 851.A N ALA 930.A O no hydrogen 3.417 N/A ARG 853.A N LEU 928.A O no hydrogen 2.990 N/A ARG 853.A NH2 SER 642.A OG no hydrogen 2.824 N/A ARG 853.A NH2 ASP 839.A OD2 no hydrogen 3.187 N/A PHE 854.A N VAL 643.A O no hydrogen 2.872 N/A TYR 855.A N LEU 926.A O no hydrogen 2.684 N/A SER 856.A N LYS 641.A O no hydrogen 2.823 N/A THR 857.A N LEU 924.A O no hydrogen 3.054 N/A THR 857.A OG1 LYS 639.A O no hydrogen 2.771 N/A PHE 859.A N ASN 922.A O no hydrogen 3.033 N/A LEU 861.A N GLY 920.A O no hydrogen 3.032 N/A LEU 863.A N TYR 918.A O no hydrogen 2.960 N/A ASP 868.A N VAL 949.A O no hydrogen 2.775 N/A TYR 872.A N ILE 944.A O no hydrogen 2.804 N/A PHE 873.A N PHE 909.A O no hydrogen 2.879 N/A ASN 874.A N GLU 942.A O no hydrogen 2.774 N/A PHE 875.A N THR 907.A O no hydrogen 2.752 N/A GLY 876.A N SER 940.A O no hydrogen 2.845 N/A ALA 884.A N GLU 932.A OE1 no hydrogen 2.902 N/A ARG 886.A N TRP 929.A O no hydrogen 2.893 N/A ARG 886.A NE GLN 931.A OE1 no hydrogen 2.894 N/A ARG 886.A NH1 ALA 715.A O no hydrogen 3.040 N/A ARG 886.A NH1 ASP 761.A OD2 no hydrogen 2.974 N/A ARG 886.A NH2 ALA 715.A O no hydrogen 2.827 N/A ARG 886.A NH2 ALA 731.A O no hydrogen 2.934 N/A VAL 887.A N TYR 899.A O no hydrogen 2.735 N/A GLN 888.A N SER 927.A O no hydrogen 3.263 N/A GLN 888.A NE2 GLU 824.A OE2 no hydrogen 3.568 N/A GLN 888.A NE2 SER 927.A OG no hydrogen 3.086 N/A LEU 889.A N GLY 897.A O no hydrogen 2.791 N/A TYR 890.A N ALA 925.A O no hydrogen 2.812 N/A TYR 890.A OH.A ASN 817.A O no hydrogen 3.398 N/A TYR 890.A OH.A GLU 824.A OE2 no hydrogen 2.466 N/A TYR 890.A OH.B GLU 824.A OE2 no hydrogen 2.394 N/A VAL 891.A N TYR 894.A O no hydrogen 3.061 N/A ASN 892.A N TRP 923.A O no hydrogen 2.685 N/A TYR 894.A N VAL 891.A O no hydrogen 3.032 N/A TYR 894.A OH ASN 960.A O no hydrogen 2.758 N/A GLN 895.A N ASN 817.A OD1 no hydrogen 2.976 N/A TYR 896.A N LEU 889.A O no hydrogen 2.749 N/A GLY 897.A N GLN 895.A OE1 no hydrogen 2.839 N/A LYS 898.A N THR 321.A OG1 no hydrogen 2.924 N/A LYS 898.A NZ ASP 761.A OD1 no hydrogen 2.827 N/A TYR 899.A N VAL 887.A O no hydrogen 2.751 N/A TYR 899.A OH ASN 901.A OD1 no hydrogen 2.733 N/A ASN 901.A N TYR 885.A O no hydrogen 3.076 N/A ASN 901.A ND2 ALA 883.A O no hydrogen 2.867 N/A ASN 902.A ND2 ALA 731.A O no hydrogen 3.081 N/A ILE 903.A N VAL 900.A O no hydrogen 3.056 N/A GLY 904.A N VAL 900.A O no hydrogen 2.996 N/A GLN 906.A NE2 SER 908.A O no hydrogen 2.888 N/A SER 908.A OG ASN 874.A OD1 no hydrogen 2.712 N/A PHE 909.A N PHE 873.A O no hydrogen 2.801 N/A VAL 911.A N LEU 871.A O no hydrogen 3.188 N/A GLY 914.A N LEU 916.A O no hydrogen 2.904 N/A ILE 915.A N PRO 912.A O no hydrogen 3.037 N/A LEU 916.A N PRO 912.A O no hydrogen 3.048 N/A ASN 917.A N ASN 922.A OD1 no hydrogen 2.675 N/A ASN 917.A ND2 THR 921.A O no hydrogen 3.023 N/A ASN 917.A ND2 GLN 961.A OE1 no hydrogen 3.003 N/A TYR 918.A OH ILE 869.A O no hydrogen 2.466 N/A HIS 919.A NE2 LEU 863.A O no hydrogen 2.813 N/A THR 921.A OG1 ASP 860.A OD1 no hydrogen 2.614 N/A ASN 922.A N PHE 859.A O no hydrogen 2.825 N/A ASN 922.A ND2 PHE 859.A O no hydrogen 3.687 N/A ASN 922.A ND2 ASN 917.A O no hydrogen 2.861 N/A LEU 924.A N THR 857.A O no hydrogen 2.951 N/A ALA 925.A N TYR 890.A O no hydrogen 2.660 N/A LEU 926.A N TYR 855.A O no hydrogen 2.962 N/A SER 927.A N GLN 888.A O no hydrogen 3.213 N/A LEU 928.A N ARG 853.A O no hydrogen 2.808 N/A TRP 929.A N ARG 886.A O no hydrogen 2.819 N/A TRP 929.A NE1 SER 719.A OG no hydrogen 2.897 N/A ALA 930.A N GLY 851.A O no hydrogen 2.901 N/A GLN 931.A N ALA 884.A O no hydrogen 2.880 N/A GLN 931.A NE2 SER 719.A OG no hydrogen 3.259 N/A GLN 931.A NE2 TRP 730.A O no hydrogen 3.291 N/A GLY 935.A N GLU 932.A O no hydrogen 3.041 N/A ALA 936.A N LEU 847.A O no hydrogen 2.896 N/A LYS 937.A NZ ASP 939.A OD1 no hydrogen 2.915 N/A LEU 938.A N PRO 843.A O no hydrogen 2.870 N/A GLU 942.A N ASN 874.A O no hydrogen 2.987 N/A ILE 944.A N TYR 872.A O no hydrogen 2.873 N/A THR 946.A N PRO 870.A O no hydrogen 3.115 N/A VAL 949.A N ASP 868.A O no hydrogen 2.927 N/A LEU 950.A N PHE 584.A O no hydrogen 2.819 N/A THR 951.A N GLY 866.A O no hydrogen 3.016 N/A THR 951.A OG1 ASP 583.A OD1 no hydrogen 3.066 N/A THR 951.A OG1 ASP 583.A OD2 no hydrogen 2.657 N/A SER 952.A N ASP 583.A OD1 no hydrogen 3.204 N/A SER 952.A OG ALA 582.A O no hydrogen 3.502 N/A SER 952.A OG ASP 583.A OD1 no hydrogen 3.451 N/A LEU 953.A N THR 951.A OG1 no hydrogen 2.842 N/A LYS 957.A N SER 36.A OG no hydrogen 3.068 N/A SER 958.A OG ASN 917.A OD1 no hydrogen 2.639 N/A VAL 959.A N GLY 914.A O no hydrogen 2.981 N/A GLN 961.A NE2 GLY 914.A O no hydrogen 3.380 N/A GLN 961.A NE2 ASN 917.A OD1 no hydrogen 2.939 N/A TYR 964.A N PRO 831.A O no hydrogen 2.841 N/A ARG 967.A NH1 GLU 818.A OE1 no hydrogen 3.569 N/A ARG 967.A NH1 GLU 818.A OE2 no hydrogen 2.816 N/A ARG 967.A NH1 ARG 825.A O no hydrogen 3.012 N/A ARG 967.A NH2 GLU 818.A OE1 no hydrogen 2.830 N/A ARG 967.A NH2 GLU 818.A OE2 no hydrogen 3.568 N/A TYR 971.A OH THR 800.A OG1 no hydrogen 2.646 N/A