Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kfl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ VAL 4.A O no hydrogen 2.756 N/A LYS 3.A NZ ARG 269.A O no hydrogen 2.722 N/A LYS 3.A NZ PRO 271.A O no hydrogen 2.836 N/A LYS 3.A NZ ASP 273.A OD2 no hydrogen 2.671 N/A VAL 4.A N ASN 268.A O no hydrogen 2.779 N/A PHE 5.A N GLU 42.A O no hydrogen 2.923 N/A PHE 6.A N ASP 273.A OD2 no hydrogen 2.792 N/A ALA 7.A N PHE 44.A O no hydrogen 3.204 N/A THR 8.A N VAL 274.A O no hydrogen 3.108 N/A THR 8.A OG1 HIS 275.A ND1 no hydrogen 2.807 N/A THR 9.A N MET 46.A O no hydrogen 3.125 N/A THR 9.A OG1 PRO 10.A O no hydrogen 2.605 N/A THR 9.A OG1 THR 47.A OG1 no hydrogen 2.632 N/A TYR 12.A N GLY 48.A O no hydrogen 2.936 N/A TYR 12.A OH THR 26.A OG1 no hydrogen 2.785 N/A SER 17.A OG GLU 77.A OE1 no hydrogen 2.615 N/A HIS 19.A N HIS 22.A ND1 no hydrogen 3.030 N/A GLY 21.A N HIS 19.A ND1 no hydrogen 3.023 N/A HIS 22.A N HIS 19.A O no hydrogen 3.141 N/A VAL 23.A N HIS 19.A O no hydrogen 3.208 N/A TYR 24.A N ILE 20.A O no hydrogen 2.767 N/A TYR 24.A OH SER 347.A OG no hydrogen 2.901 N/A SER 25.A N GLY 21.A O no hydrogen 3.103 N/A SER 25.A OG HIS 307.A NE2 no hydrogen 2.662 N/A THR 26.A N HIS 22.A O no hydrogen 3.035 N/A THR 26.A OG1 TYR 12.A OH no hydrogen 2.785 N/A THR 26.A OG1 HIS 22.A O no hydrogen 2.830 N/A LEU 27.A N VAL 23.A O no hydrogen 2.875 N/A ILE 28.A N TYR 24.A O no hydrogen 3.024 N/A VAL 29.A N SER 25.A O no hydrogen 3.340 N/A ASP 30.A N THR 26.A O no hydrogen 2.899 N/A VAL 31.A N LEU 27.A O no hydrogen 2.828 N/A LEU 32.A N ILE 28.A O no hydrogen 3.078 N/A GLY 33.A N VAL 29.A O no hydrogen 2.902 N/A ARG 34.A N ASP 30.A O no hydrogen 2.861 N/A ARG 34.A NE ASP 30.A OD2 no hydrogen 2.941 N/A ARG 34.A NH2 ASN 86.A O no hydrogen 2.908 N/A TYR 35.A N VAL 31.A O no hydrogen 2.851 N/A TYR 35.A OH ASP 415.A OD1 no hydrogen 2.401 N/A TYR 35.A OH TYR 503.A OH no hydrogen 2.704 N/A HIS 36.A N LEU 32.A O no hydrogen 3.042 N/A HIS 36.A ND1 GLU 41.A OE1 no hydrogen 2.784 N/A ARG 37.A N GLY 33.A O no hydrogen 2.995 N/A ARG 37.A NH2 ASP 88.A O no hydrogen 3.018 N/A ARG 37.A NH2 ASN 90.A OD1 no hydrogen 2.838 N/A VAL 38.A N ARG 34.A O no hydrogen 2.862 N/A LYS 39.A N TYR 35.A O no hydrogen 2.754 N/A LYS 39.A NZ ASP 415.A OD1 no hydrogen 2.950 N/A LYS 39.A NZ ASP 415.A OD2 no hydrogen 3.543 N/A GLY 40.A N HIS 36.A O no hydrogen 3.212 N/A GLY 40.A N ARG 37.A O no hydrogen 2.956 N/A GLU 41.A N HIS 36.A O no hydrogen 2.994 N/A PHE 44.A N PHE 5.A O no hydrogen 2.814 N/A VAL 45.A N ASN 90.A OD1 no hydrogen 2.858 N/A MET 46.A N ALA 7.A O no hydrogen 3.113 N/A THR 47.A N TYR 91.A O no hydrogen 3.100 N/A THR 47.A OG1 THR 9.A OG1 no hydrogen 2.632 N/A GLY 48.A N THR 47.A OG1 no hydrogen 2.833 N/A THR 49.A N ILE 93.A O no hydrogen 2.976 N/A THR 49.A OG1 GLU 51.A OE2 no hydrogen 2.697 N/A THR 49.A OG1 SER 75.A OG no hydrogen 2.671 N/A ASP 50.A N TYR 12.A O no hydrogen 2.707 N/A GLU 51.A N THR 95.A OG1 no hydrogen 2.962 N/A HIS 52.A ND1 ASP 239.A OD2 no hydrogen 2.699 N/A GLY 53.A N TRP 222.A O no hydrogen 2.918 N/A GLN 54.A NE2 GLU 58.A OE2 no hydrogen 2.924 N/A LYS 55.A N GLU 131.A OE2 no hydrogen 2.968 N/A LYS 55.A NZ SER 129.A O no hydrogen 2.843 N/A ALA 57.A N GLY 53.A O no hydrogen 3.019 N/A GLU 58.A N GLN 54.A O no hydrogen 2.879 N/A ALA 59.A N LYS 55.A O no hydrogen 3.118 N/A ALA 60.A N VAL 56.A O no hydrogen 2.923 N/A ALA 61.A N ALA 57.A O no hydrogen 2.926 N/A LYS 62.A N GLU 58.A O no hydrogen 3.032 N/A GLN 63.A N ALA 60.A O no hydrogen 2.913 N/A GLY 64.A N ALA 61.A O no hydrogen 2.939 N/A VAL 65.A N ALA 60.A O no hydrogen 3.259 N/A ASP 69.A N SER 66.A OG no hydrogen 3.231 N/A PHE 70.A N SER 66.A O no hydrogen 2.873 N/A THR 71.A N PRO 67.A O no hydrogen 2.783 N/A THR 71.A OG1 PRO 67.A O no hydrogen 2.818 N/A THR 71.A OG1 MET 68.A O no hydrogen 3.277 N/A THR 72.A N MET 68.A O no hydrogen 3.112 N/A THR 72.A OG1 MET 68.A O no hydrogen 2.972 N/A SER 73.A N ASP 69.A O no hydrogen 3.111 N/A VAL 74.A N PHE 70.A O no hydrogen 2.892 N/A SER 75.A N THR 71.A O no hydrogen 2.841 N/A SER 75.A OG THR 49.A OG1 no hydrogen 2.671 N/A SER 75.A OG GLU 51.A OE2 no hydrogen 3.244 N/A SER 76.A N THR 72.A O no hydrogen 3.049 N/A GLU 77.A N SER 73.A O no hydrogen 3.272 N/A GLU 77.A N VAL 74.A O no hydrogen 2.971 N/A PHE 78.A N VAL 74.A O no hydrogen 3.311 N/A LYS 79.A N SER 75.A O no hydrogen 3.023 N/A GLN 80.A N SER 76.A O no hydrogen 2.946 N/A CYS 81.A N GLU 77.A O no hydrogen 2.954 N/A PHE 82.A N PHE 78.A O no hydrogen 3.025 N/A GLN 83.A N LYS 79.A O no hydrogen 3.032 N/A GLU 84.A N GLN 80.A O no hydrogen 2.960 N/A MET 85.A N CYS 81.A O no hydrogen 3.090 N/A ASN 86.A N GLN 83.A O no hydrogen 2.977 N/A TYR 87.A N PHE 82.A O no hydrogen 3.456 N/A ASP 88.A N ASP 30.A OD1 no hydrogen 2.611 N/A ASN 90.A N VAL 45.A O no hydrogen 2.889 N/A TYR 91.A OH GLU 258.A OE1 no hydrogen 2.532 N/A ILE 93.A N THR 47.A O no hydrogen 3.054 N/A ARG 94.A NE GLU 51.A OE1 no hydrogen 3.354 N/A ARG 94.A NE GLU 51.A OE2 no hydrogen 2.769 N/A ARG 94.A NH2 GLU 51.A OE1 no hydrogen 2.980 N/A ARG 94.A NH2 THR 72.A OG1 no hydrogen 3.031 N/A THR 95.A N THR 49.A O no hydrogen 3.256 N/A THR 96.A OG1 GLU 51.A OE1 no hydrogen 2.703 N/A ASN 97.A N ARG 94.A O no hydrogen 2.850 N/A HIS 100.A ND1 THR 246.A OG1 no hydrogen 2.883 N/A HIS 100.A NE2 ASP 239.A OD1 no hydrogen 2.632 N/A GLU 101.A N ASN 97.A O no hydrogen 3.020 N/A LYS 102.A N PRO 98.A O no hydrogen 3.183 N/A LYS 102.A NZ ASP 106.A OD2 no hydrogen 2.947 N/A LEU 103.A N THR 99.A O no hydrogen 3.034 N/A VAL 104.A N HIS 100.A O no hydrogen 2.846 N/A GLN 105.A N GLU 101.A O no hydrogen 3.092 N/A GLN 105.A NE2 PRO 225.A O no hydrogen 2.751 N/A ASP 106.A N LYS 102.A O no hydrogen 2.891 N/A ILE 107.A N LEU 103.A O no hydrogen 2.968 N/A TRP 108.A N VAL 104.A O no hydrogen 2.924 N/A LYS 109.A N GLN 105.A O no hydrogen 3.074 N/A LYS 110.A N ASP 106.A O no hydrogen 3.072 N/A LYS 110.A NZ.A GLU 297.A OE1 no hydrogen 2.736 N/A LEU 111.A N ILE 107.A O no hydrogen 2.907 N/A ALA 112.A N TRP 108.A O no hydrogen 2.939 N/A ALA 113.A N LYS 109.A O no hydrogen 2.963 N/A LYS 114.A N LYS 110.A O no hydrogen 3.004 N/A LYS 114.A NZ SER 295.A O no hydrogen 3.023 N/A GLY 115.A N ALA 112.A O no hydrogen 3.005 N/A ASP 116.A N LEU 111.A O no hydrogen 3.119 N/A TYR 118.A N MET 169.A O no hydrogen 2.898 N/A TYR 118.A OH ASP 209.A OD2 no hydrogen 2.670 N/A GLY 120.A N ASN 167.A O no hydrogen 2.962 N/A TYR 122.A N GLU 165.A O no hydrogen 2.852 N/A TYR 122.A OH TRP 125.A O no hydrogen 2.801 N/A GLY 124.A N VAL 163.A O no hydrogen 3.003 N/A TYR 126.A N THR 161.A O no hydrogen 2.858 N/A TYR 126.A OH GLU 131.A OE1 no hydrogen 2.502 N/A SER 127.A N SER 132.A O no hydrogen 2.770 N/A SER 127.A OG ASP 130.A OD2 no hydrogen 2.725 N/A SER 129.A OG HIS 158.A NE2 no hydrogen 3.338 N/A GLU 131.A N VAL 128.A O no hydrogen 3.117 N/A SER 132.A N SER 127.A O no hydrogen 3.066 N/A SER 132.A OG PHE 133.A O no hydrogen 3.430 N/A SER 132.A OG GLU 155.A OE1 no hydrogen 2.891 N/A LEU 134.A N TRP 125.A O no hydrogen 3.021 N/A ASN 138.A N THR 135.A O no hydrogen 2.895 N/A ASN 138.A ND2 THR 135.A OG1 no hydrogen 3.277 N/A ALA 140.A N VAL 152.A O no hydrogen 3.019 N/A GLY 142.A N CYS 150.A O no hydrogen 2.679 N/A ASP 144.A N LYS 148.A O no hydrogen 3.202 N/A ASP 146.A N ASP 144.A OD2 no hydrogen 2.761 N/A GLY 147.A N ASP 144.A O no hydrogen 3.138 N/A LYS 148.A N ASP 144.A OD2 no hydrogen 3.222 N/A CYS 150.A N GLY 142.A O no hydrogen 2.987 N/A CYS 150.A SG LYS 151.A O no hydrogen 3.704 N/A LYS 151.A NZ ASP 141.A OD2 no hydrogen 3.191 N/A VAL 152.A N ALA 140.A O no hydrogen 2.809 N/A SER 153.A N HIS 158.A O no hydrogen 2.701 N/A LEU 154.A N ASN 138.A O no hydrogen 2.941 N/A GLU 155.A N SER 153.A OG no hydrogen 2.985 N/A SER 156.A N SER 153.A OG no hydrogen 3.260 N/A SER 156.A OG ASP 130.A OD2 no hydrogen 2.507 N/A GLY 157.A N SER 153.A O no hydrogen 2.872 N/A HIS 158.A N SER 156.A OG no hydrogen 3.190 N/A HIS 158.A NE2 SER 320.A OG no hydrogen 3.007 N/A VAL 160.A N LYS 151.A O no hydrogen 3.122 N/A THR 161.A N TYR 126.A O no hydrogen 2.846 N/A THR 161.A OG1 TYR 126.A O no hydrogen 3.270 N/A TRP 162.A NE1 GLU 164.A OE2 no hydrogen 2.947 N/A VAL 163.A N GLY 124.A O no hydrogen 2.842 N/A GLU 165.A N TYR 122.A O no hydrogen 2.981 N/A ASN 167.A N GLY 120.A O no hydrogen 2.894 N/A ASN 167.A ND2 GLU 165.A OE1 no hydrogen 3.032 N/A ASN 167.A ND2 GLU 166.A O no hydrogen 2.604 N/A TYR 168.A N SER 213.A OG no hydrogen 2.751 N/A TYR 168.A OH ASP 229.A OD2 no hydrogen 2.588 N/A MET 169.A N TYR 118.A O no hydrogen 2.669 N/A PHE 170.A N LEU 210.A O no hydrogen 2.778 N/A ARG 171.A N ASP 116.A O no hydrogen 2.869 N/A LEU 172.A N PHE 170.A O no hydrogen 2.838 N/A SER 173.A N ASP 209.A OD1 no hydrogen 2.957 N/A SER 173.A OG ASP 209.A OD1 no hydrogen 2.680 N/A ALA 174.A N ARG 171.A O no hydrogen 2.905 N/A PHE 175.A N LEU 172.A O no hydrogen 3.044 N/A ARG 176.A NE VAL 203.A O no hydrogen 3.147 N/A ARG 176.A NE GLU 204.A O no hydrogen 3.431 N/A ARG 176.A NH1 GLU 204.A O no hydrogen 3.064 N/A ARG 176.A NH2 GLU 177.A OE2.A no hydrogen 3.294 N/A ARG 178.A NH2.B ALA 174.A O no hydrogen 3.239 N/A LEU 179.A N PHE 175.A O no hydrogen 2.777 N/A LEU 180.A N ARG 176.A O no hydrogen 3.084 N/A LYS 181.A N GLU 177.A O no hydrogen 3.070 N/A LYS 181.A NZ ASP 185.A OD2 no hydrogen 3.033 N/A TYR 182.A N ARG 178.A O no hydrogen 3.122 N/A TYR 182.A OH PRO 301.A O no hydrogen 2.692 N/A PHE 183.A N LEU 179.A O no hydrogen 2.972 N/A HIS 184.A N LEU 180.A O no hydrogen 3.044 N/A ASP 185.A N LYS 181.A O no hydrogen 2.936 N/A HIS 186.A ND1 TYR 182.A O no hydrogen 2.981 N/A CYS 189.A N HIS 186.A O no hydrogen 2.974 N/A CYS 189.A SG HIS 186.A O no hydrogen 3.206 N/A VAL 191.A N LEU 304.A O no hydrogen 2.840 N/A ARG 195.A N PRO 192.A O no hydrogen 3.050 N/A ARG 195.A NE SER 306.A O no hydrogen 2.695 N/A ARG 195.A NH1 PHE 349.A O no hydrogen 3.080 N/A ARG 196.A N PRO 192.A O no hydrogen 3.457 N/A ARG 196.A NE PHE 183.A O no hydrogen 3.331 N/A ARG 196.A NH1 GLU 193.A OE1 no hydrogen 3.309 N/A ARG 196.A NH2 PHE 183.A O no hydrogen 2.884 N/A ARG 197.A N GLU 193.A O no hydrogen 2.998 N/A GLU 198.A N PHE 194.A O no hydrogen 3.077 N/A VAL 199.A N ARG 195.A O no hydrogen 2.989 N/A ILE 200.A N ARG 196.A O no hydrogen 2.999 N/A LYS 201.A N ARG 197.A O no hydrogen 2.923 N/A THR 202.A N GLU 198.A O no hydrogen 3.115 N/A THR 202.A OG1 GLU 198.A O no hydrogen 3.098 N/A VAL 203.A N VAL 199.A O no hydrogen 2.920 N/A GLU 204.A N ILE 200.A O no hydrogen 2.837 N/A LYS 205.A N LYS 201.A O no hydrogen 3.207 N/A LYS 205.A N THR 202.A O no hydrogen 3.152 N/A GLY 206.A N VAL 203.A O no hydrogen 3.115 N/A LEU 210.A N PHE 170.A O no hydrogen 3.095 N/A SER 211.A OG ASN 167.A OD1 no hydrogen 2.686 N/A ILE 212.A N TYR 168.A O no hydrogen 2.899 N/A SER 213.A OG HIS 232.A ND1 no hydrogen 2.789 N/A ARG 214.A N CYS 233.A O no hydrogen 2.966 N/A ARG 214.A NE GLU 165.A OE1 no hydrogen 2.704 N/A ARG 214.A NH2 GLU 165.A OE2 no hydrogen 3.210 N/A LYS 215.A N GLU 165.A OE1 no hydrogen 3.083 N/A LYS 215.A NZ GLU 166.A OE1 no hydrogen 3.251 N/A ARG 216.A N ARG 231.A O no hydrogen 2.948 N/A ARG 216.A NH1 ASN 221.A OD1 no hydrogen 2.837 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.903 N/A SER 218.A N LYS 215.A O no hydrogen 3.025 N/A SER 218.A OG GLU 165.A OE2 no hydrogen 2.664 N/A VAL 219.A N ARG 216.A O no hydrogen 3.170 N/A MET 220.A N GLU 217.A O no hydrogen 3.157 N/A ASN 221.A N ARG 216.A O no hydrogen 2.907 N/A TRP 222.A N VAL 219.A O no hydrogen 2.947 N/A TRP 222.A NE1 GLU 51.A O no hydrogen 2.633 N/A VAL 226.A N HIS 232.A O no hydrogen 2.991 N/A ASP 229.A N VAL 226.A O no hydrogen 3.053 N/A GLU 230.A N GLU 230.A OE1.B no hydrogen 2.552 N/A ARG 231.A N ASP 229.A OD1 no hydrogen 3.410 N/A ARG 231.A NE ASP 229.A OD1 no hydrogen 2.867 N/A ARG 231.A NH2 ASP 229.A OD2 no hydrogen 2.976 N/A HIS 232.A N ASP 229.A O no hydrogen 2.997 N/A HIS 232.A ND1 SER 213.A OG no hydrogen 2.789 N/A CYS 233.A N ARG 214.A O no hydrogen 2.752 N/A CYS 233.A SG SER 223.A O no hydrogen 3.795 N/A ILE 234.A N ILE 224.A O no hydrogen 2.627 N/A TYR 235.A N ILE 212.A O no hydrogen 2.929 N/A TYR 235.A OH GLU 131.A O no hydrogen 2.693 N/A TRP 237.A NE1 ASP 130.A O no hydrogen 3.296 N/A ASP 239.A N TYR 235.A O no hydrogen 3.267 N/A ALA 240.A N VAL 236.A O no hydrogen 2.811 N/A LEU 241.A N TRP 237.A O no hydrogen 2.954 N/A PHE 242.A N LEU 238.A O no hydrogen 3.430 N/A ASN 243.A N ALA 240.A O no hydrogen 2.899 N/A ASN 243.A ND2 ALA 240.A O no hydrogen 2.770 N/A TYR 244.A N LEU 241.A O no hydrogen 3.403 N/A TYR 244.A OH HIS 285.A NE2 no hydrogen 2.591 N/A TYR 245.A N PHE 242.A O no hydrogen 3.004 N/A THR 246.A N PHE 242.A O no hydrogen 3.051 N/A THR 246.A OG1 HIS 100.A ND1 no hydrogen 2.883 N/A THR 246.A OG1 PHE 242.A O no hydrogen 3.309 N/A GLY 247.A N ASN 243.A O no hydrogen 2.865 N/A ALA 248.A N TYR 244.A O no hydrogen 2.899 N/A LEU 249.A N TYR 245.A O no hydrogen 3.055 N/A LEU 249.A N THR 246.A O no hydrogen 3.034 N/A THR 250.A N GLY 247.A O no hydrogen 3.266 N/A THR 250.A OG1 THR 246.A O no hydrogen 2.594 N/A ARG 251.A N THR 259.A O no hydrogen 2.882 N/A ARG 251.A NE ASP 261.A OD1 no hydrogen 2.659 N/A ARG 251.A NE ASP 261.A OD2 no hydrogen 3.285 N/A ARG 251.A NH2 ASP 261.A OD1 no hydrogen 3.467 N/A ARG 251.A NH2 ASP 261.A OD2 no hydrogen 2.577 N/A ALA 253.A N THR 257.A O no hydrogen 2.890 N/A GLY 256.A N ALA 253.A O no hydrogen 3.329 N/A THR 257.A N ASP 255.A OD1 no hydrogen 3.359 N/A THR 257.A OG1 ASP 255.A OD1 no hydrogen 2.638 N/A THR 259.A N ARG 251.A O no hydrogen 3.072 N/A ASP 261.A N LEU 249.A O no hydrogen 3.041 N/A HIS 265.A N ASP 263.A OD2 no hydrogen 3.282 N/A HIS 265.A ND1 ASP 263.A OD2 no hydrogen 2.547 N/A ASN 268.A N HIS 264.A O no hydrogen 3.148 N/A ASN 268.A ND2 GLN 2.A O no hydrogen 2.981 N/A ARG 269.A NH1 GLY 247.A O no hydrogen 2.994 N/A ARG 269.A NH1 THR 250.A O no hydrogen 2.899 N/A ARG 269.A NH2 THR 250.A O no hydrogen 3.502 N/A TRP 270.A NE1 PRO 299.A O no hydrogen 2.913 N/A ASP 273.A N PHE 6.A O no hydrogen 2.743 N/A VAL 274.A N PHE 6.A O no hydrogen 3.340 N/A HIS 275.A N ARG 303.A O no hydrogen 2.923 N/A HIS 275.A ND1 THR 8.A OG1 no hydrogen 2.807 N/A VAL 276.A N THR 8.A O no hydrogen 2.844 N/A VAL 277.A N VAL 305.A O no hydrogen 2.777 N/A LYS 279.A N HIS 307.A O no hydrogen 2.776 N/A LYS 279.A NZ ASP 352.A OD1 no hydrogen 3.283 N/A LYS 279.A NZ ASP 352.A OD2 no hydrogen 2.792 N/A ILE 281.A N GLY 278.A O no hydrogen 3.048 N/A LEU 282.A N LYS 279.A O no hydrogen 3.353 N/A LYS 283.A NZ SER 132.A OG no hydrogen 2.782 N/A LYS 283.A NZ PHE 133.A O no hydrogen 3.132 N/A LYS 283.A NZ GLU 155.A OE2 no hydrogen 2.823 N/A HIS 285.A N ILE 281.A O no hydrogen 3.424 N/A HIS 285.A ND1 ILE 281.A O no hydrogen 3.136 N/A HIS 285.A NE2 TYR 244.A OH no hydrogen 2.591 N/A ALA 286.A N LEU 282.A O no hydrogen 2.812 N/A ILE 287.A N LYS 283.A O no hydrogen 2.907 N/A TYR 288.A N LYS 283.A O no hydrogen 3.189 N/A TRP 289.A N PHE 284.A O no hydrogen 2.887 N/A TRP 289.A NE1 HIS 275.A NE2 no hydrogen 3.164 N/A ALA 291.A N ILE 287.A O no hydrogen 3.381 N/A PHE 292.A N TYR 288.A O no hydrogen 2.858 N/A LEU 293.A N TRP 289.A O no hydrogen 2.929 N/A MET 294.A N PRO 290.A O no hydrogen 2.867 N/A SER 295.A N ALA 291.A O no hydrogen 3.013 N/A SER 295.A OG ASP 116.A OD2 no hydrogen 2.635 N/A ALA 296.A N PHE 292.A O no hydrogen 2.941 N/A GLU 297.A N MET 294.A O no hydrogen 3.023 N/A LEU 298.A N LEU 293.A O no hydrogen 2.980 N/A GLU 302.A N ALA 272.A O no hydrogen 2.997 N/A ARG 303.A NE ASN 188.A O no hydrogen 2.877 N/A ARG 303.A NH1 LEU 420.A O no hydrogen 2.714 N/A LEU 304.A N CYS 189.A O no hydrogen 2.762 N/A VAL 305.A N HIS 275.A O no hydrogen 2.805 N/A SER 306.A N VAL 191.A O no hydrogen 2.946 N/A HIS 307.A N VAL 277.A O no hydrogen 2.884 N/A HIS 307.A ND1 GLY 308.A O no hydrogen 2.728 N/A HIS 307.A NE2 SER 25.A OG no hydrogen 2.662 N/A TRP 309.A N ASP 352.A OD1 no hydrogen 2.716 N/A TRP 309.A NE1 ASP 280.A OD1 no hydrogen 2.974 N/A THR 311.A N GLY 353.A O no hydrogen 2.949 N/A THR 311.A OG1 ASP 354.A OD1 no hydrogen 2.526 N/A LYS 312.A N LYS 315.A O no hydrogen 2.765 N/A HIS 314.A N ASP 354.A OD1 no hydrogen 2.941 N/A LYS 315.A N LYS 312.A O no hydrogen 3.055 N/A LYS 316.A NZ ILE 317.A O no hydrogen 3.162 N/A LYS 316.A NZ SER 318.A OG no hydrogen 3.127 N/A ILE 317.A N TRP 310.A O no hydrogen 3.054 N/A SER 318.A N ASN 323.A OD1 no hydrogen 2.859 N/A SER 318.A OG LYS 316.A O no hydrogen 2.835 N/A LYS 319.A NZ ASN 15.A OD1 no hydrogen 3.112 N/A SER 320.A OG HIS 158.A NE2 no hydrogen 3.007 N/A LEU 321.A N SER 318.A O no hydrogen 3.161 N/A GLY 322.A N SER 318.A O no hydrogen 3.194 N/A ASN 323.A ND2 LYS 316.A O no hydrogen 3.007 N/A VAL 328.A N ASP 326.A OD1 no hydrogen 3.103 N/A GLU 329.A N ASP 326.A OD1 no hydrogen 3.270 N/A LYS 330.A N ASP 326.A O no hydrogen 3.193 N/A LYS 330.A NZ ASP 357.A OD1 no hydrogen 2.958 N/A LYS 330.A NZ ASP 357.A OD2 no hydrogen 3.255 N/A ALA 331.A N PRO 327.A O no hydrogen 2.931 N/A LYS 332.A N VAL 328.A O no hydrogen 2.868 N/A LYS 332.A NZ GLU 84.A OE1 no hydrogen 3.317 N/A GLU 333.A N GLU 329.A O no hydrogen 2.868 N/A PHE 334.A N LYS 330.A O no hydrogen 3.125 N/A GLY 335.A N ALA 331.A O no hydrogen 2.704 N/A LEU 339.A N GLY 335.A O no hydrogen 2.962 N/A LYS 340.A N ILE 336.A O no hydrogen 2.950 N/A LYS 340.A NZ MET 85.A O no hydrogen 2.866 N/A LYS 340.A NZ ASN 86.A O no hydrogen 3.442 N/A TYR 341.A N ASP 337.A O no hydrogen 2.858 N/A TYR 341.A OH GLU 367.A OE2 no hydrogen 2.753 N/A PHE 342.A N ALA 338.A O no hydrogen 3.021 N/A LEU 343.A N LEU 339.A O no hydrogen 2.903 N/A MET 344.A N LYS 340.A O no hydrogen 3.120 N/A ARG 345.A N TYR 341.A O no hydrogen 2.741 N/A ARG 345.A NH1 ARG 345.A O no hydrogen 2.972 N/A GLU 346.A N PHE 342.A O no hydrogen 2.845 N/A SER 347.A OG TYR 24.A OH no hydrogen 2.901 N/A SER 347.A OG LEU 343.A O no hydrogen 2.767 N/A ASN 348.A ND2 ASP 351.A OD2 no hydrogen 2.865 N/A GLN 350.A N ASN 348.A OD1 no hydrogen 2.794 N/A ASP 351.A N ASN 348.A OD1 no hydrogen 2.844 N/A GLY 353.A N TRP 309.A O no hydrogen 3.132 N/A TYR 355.A N THR 311.A O no hydrogen 3.113 N/A ASN 359.A N SER 356.A OG no hydrogen 3.088 N/A MET 360.A N SER 356.A O no hydrogen 3.054 N/A VAL 361.A N ASP 357.A O no hydrogen 2.917 N/A ALA 362.A N LYS 358.A O no hydrogen 3.067 N/A ARG 363.A N ASN 359.A O no hydrogen 3.305 N/A ARG 363.A NE GLU 346.A OE1 no hydrogen 2.747 N/A ARG 363.A NH1 GLU 367.A OE2 no hydrogen 2.948 N/A ARG 363.A NH2 GLU 346.A OE1 no hydrogen 3.174 N/A LEU 364.A N MET 360.A O no hydrogen 3.015 N/A ASN 365.A N VAL 361.A O no hydrogen 2.749 N/A ASN 365.A ND2 VAL 527.A O no hydrogen 2.676 N/A GLY 366.A N ALA 362.A O no hydrogen 2.836 N/A GLU 367.A N ARG 363.A O no hydrogen 2.858 N/A LEU 368.A N ARG 363.A O no hydrogen 3.104 N/A ALA 369.A N LEU 364.A O no hydrogen 2.833 N/A ASP 370.A N ASN 365.A O no hydrogen 3.061 N/A THR 371.A N GLU 367.A O no hydrogen 3.124 N/A LEU 372.A N GLU 367.A O no hydrogen 3.105 N/A GLY 373.A N LEU 368.A O no hydrogen 2.782 N/A ASN 374.A N ALA 369.A O no hydrogen 2.881 N/A LEU 375.A N THR 371.A O no hydrogen 2.973 N/A VAL 376.A N LEU 372.A O no hydrogen 3.099 N/A SER 377.A N GLY 373.A O no hydrogen 3.080 N/A SER 377.A OG GLY 373.A O no hydrogen 3.521 N/A ARG 378.A N ASN 374.A O no hydrogen 3.024 N/A ARG 378.A NH1 ASN 438.A O no hydrogen 2.951 N/A ARG 378.A NH1 ASN 438.A OD1 no hydrogen 2.985 N/A ARG 378.A NH1 THR 442.A OG1 no hydrogen 3.120 N/A ARG 378.A NH2 THR 442.A OG1 no hydrogen 2.671 N/A CYS 379.A N LEU 375.A O no hydrogen 3.091 N/A CYS 379.A SG LEU 375.A O no hydrogen 3.452 N/A VAL 380.A N VAL 376.A O no hydrogen 3.196 N/A VAL 380.A N SER 377.A O no hydrogen 3.309 N/A ILE 384.A N ALA 381.A O no hydrogen 2.962 N/A ASN 385.A N ALA 381.A O no hydrogen 2.748 N/A ASN 385.A ND2 CYS 379.A O no hydrogen 3.118 N/A ASN 385.A ND2 MET 389.A O no hydrogen 3.009 N/A GLY 388.A N ASN 385.A O no hydrogen 3.091 N/A MET 389.A N ASN 385.A OD1 no hydrogen 2.919 N/A TRP 390.A N THR 512.A O no hydrogen 2.894 N/A TRP 390.A NE1 LEU 490.A O no hydrogen 2.718 N/A ALA 394.A N THR 459.A OG1 no hydrogen 2.714 N/A SER 397.A N ASP 400.A OD2 no hydrogen 2.860 N/A ASP 400.A N SER 397.A OG no hydrogen 3.039 N/A LYS 401.A N SER 397.A O no hydrogen 2.955 N/A LYS 401.A NZ GLU 398.A OE2 no hydrogen 3.436 N/A THR 402.A N GLU 398.A O no hydrogen 2.976 N/A THR 402.A OG1 GLU 398.A O no hydrogen 3.062 N/A LEU 403.A N SER 399.A O no hydrogen 3.156 N/A ILE 404.A N ASP 400.A O no hydrogen 2.869 N/A ALA 405.A N LYS 401.A O no hydrogen 2.853 N/A SER 406.A N THR 402.A O no hydrogen 3.208 N/A SER 406.A OG.B LEU 403.A O no hydrogen 2.626 N/A LEU 407.A N LEU 403.A O no hydrogen 2.999 N/A ASN 408.A N ILE 404.A O no hydrogen 2.948 N/A ASN 409.A N ALA 405.A O no hydrogen 2.990 N/A LEU 410.A N LEU 407.A O no hydrogen 3.310 N/A THR 413.A N ASN 409.A O no hydrogen 3.455 N/A THR 413.A OG1 ASN 409.A O no hydrogen 3.377 N/A VAL 414.A N LEU 410.A O no hydrogen 2.794 N/A ASP 415.A N ALA 411.A O no hydrogen 2.815 N/A HIS 416.A N GLY 412.A O no hydrogen 3.014 N/A TYR 417.A N THR 413.A O no hydrogen 2.999 N/A TYR 418.A N VAL 414.A O no hydrogen 2.787 N/A TYR 418.A OH PHE 474.A O no hydrogen 2.766 N/A CYS 419.A N ASP 415.A O no hydrogen 3.027 N/A CYS 419.A SG ASP 415.A O no hydrogen 3.310 N/A LEU 420.A N TYR 417.A O no hydrogen 3.105 N/A ASP 422.A N TYR 417.A O no hydrogen 2.724 N/A GLN 424.A NE2 ARG 345.A O no hydrogen 2.965 N/A HIS 425.A N ASP 422.A OD1 no hydrogen 3.101 N/A HIS 425.A ND1 ASP 422.A OD1 no hydrogen 3.205 N/A HIS 425.A ND1 ASP 422.A OD2 no hydrogen 2.546 N/A ALA 426.A N ASP 422.A O no hydrogen 3.246 N/A LEU 427.A N ILE 423.A O no hydrogen 3.069 N/A ILE 428.A N GLN 424.A O no hydrogen 2.964 N/A ALA 429.A N HIS 425.A O no hydrogen 3.077 N/A ILE 430.A N ALA 426.A O no hydrogen 2.974 N/A PHE 431.A N LEU 427.A O no hydrogen 2.942 N/A ASP 432.A N ILE 428.A O no hydrogen 2.792 N/A VAL 433.A N ALA 429.A O no hydrogen 3.211 N/A LEU 434.A N ILE 430.A O no hydrogen 2.989 N/A ARG 435.A N PHE 431.A O no hydrogen 2.830 N/A ARG 435.A NH2 ASP 432.A OD1 no hydrogen 2.665 N/A SER 436.A N ASP 432.A O no hydrogen 3.143 N/A SER 436.A OG ASP 432.A O no hydrogen 3.258 N/A LEU 437.A N VAL 433.A O no hydrogen 2.857 N/A ASN 438.A N LEU 434.A O no hydrogen 3.050 N/A ASN 438.A ND2 THR 371.A O no hydrogen 2.807 N/A ALA 439.A N ARG 435.A O no hydrogen 3.006 N/A TYR 440.A N SER 436.A O no hydrogen 2.730 N/A TYR 440.A OH ASP 400.A OD1 no hydrogen 2.526 N/A VAL 441.A N LEU 437.A O no hydrogen 2.885 N/A THR 442.A N ASN 438.A O no hydrogen 3.039 N/A THR 442.A OG1 ASN 438.A O no hydrogen 3.153 N/A GLU 443.A N ALA 439.A O no hydrogen 2.943 N/A ASN 444.A N TYR 440.A O no hydrogen 3.059 N/A ASN 444.A ND2 TYR 440.A O no hydrogen 2.938 N/A ALA 445.A N THR 442.A O no hydrogen 3.038 N/A LYS 448.A N ALA 445.A O no hydrogen 2.860 N/A LEU 449.A N ALA 445.A O no hydrogen 3.380 N/A VAL 450.A N PRO 446.A O no hydrogen 3.093 N/A MET 452.A N LEU 449.A O no hydrogen 2.920 N/A ASP 453.A N LEU 449.A O no hydrogen 2.807 N/A ARG 456.A N ASP 453.A OD1 no hydrogen 3.040 N/A ARG 456.A NH1 ASP 400.A OD2 no hydrogen 2.741 N/A ARG 456.A NH2 ASP 400.A OD1 no hydrogen 2.991 N/A ARG 456.A NH2 ASP 400.A OD2 no hydrogen 3.519 N/A ARG 456.A NH2 ASN 444.A OD1 no hydrogen 2.998 N/A LEU 457.A N ASP 453.A O no hydrogen 2.979 N/A GLY 458.A N THR 454.A O no hydrogen 2.895 N/A THR 459.A N ALA 455.A O no hydrogen 3.319 N/A THR 459.A OG1 ALA 455.A O no hydrogen 3.485 N/A VAL 460.A N ARG 456.A O no hydrogen 3.056 N/A LEU 461.A N LEU 457.A O no hydrogen 2.952 N/A TYR 462.A N GLY 458.A O no hydrogen 3.020 N/A TYR 462.A OH VAL 508.A O no hydrogen 2.614 N/A VAL 463.A N THR 459.A O no hydrogen 3.010 N/A THR 464.A N VAL 460.A O no hydrogen 3.039 N/A THR 464.A OG1 VAL 460.A O no hydrogen 2.681 N/A MET 465.A N LEU 461.A O no hydrogen 2.757 N/A GLU 466.A N TYR 462.A O no hydrogen 2.991 N/A GLY 467.A N VAL 463.A O no hydrogen 2.969 N/A LEU 468.A N THR 464.A O no hydrogen 2.771 N/A ARG 469.A N MET 465.A O no hydrogen 2.802 N/A ARG 469.A NE GLU 466.A OE1 no hydrogen 2.957 N/A ARG 469.A NH1 ASN 502.A O no hydrogen 2.927 N/A ARG 469.A NH2 GLU 466.A OE2 no hydrogen 2.752 N/A ARG 469.A NH2 LEU 504.A O no hydrogen 2.927 N/A ILE 470.A N GLU 466.A O no hydrogen 2.913 N/A CYS 471.A N GLY 467.A O no hydrogen 3.022 N/A CYS 471.A SG ILE 430.A O no hydrogen 3.807 N/A CYS 471.A SG GLY 467.A O no hydrogen 3.495 N/A THR 472.A N LEU 468.A O no hydrogen 2.931 N/A THR 472.A OG1 LEU 468.A O no hydrogen 2.874 N/A MET 473.A N ARG 469.A O no hydrogen 2.876 N/A PHE 474.A N ILE 470.A O no hydrogen 3.347 N/A LEU 475.A N THR 472.A O no hydrogen 2.877 N/A GLN 476.A N MET 473.A O no hydrogen 3.346 N/A GLN 476.A NE2 MET 473.A O no hydrogen 2.828 N/A GLN 476.A NE2 ARG 497.A O no hydrogen 2.990 N/A MET 479.A N LEU 475.A O no hydrogen 2.811 N/A GLN 481.A NE2 GLU 485.A OE2 no hydrogen 2.834 N/A LYS 482.A N ASP 337.A OD2 no hydrogen 2.742 N/A LYS 482.A NZ GLU 485.A OE1 no hydrogen 2.964 N/A LYS 482.A NZ VAL 523.A O no hydrogen 2.732 N/A ALA 483.A N MET 479.A O no hydrogen 2.838 N/A LYS 484.A N PRO 480.A O no hydrogen 3.156 N/A LYS 484.A NZ ASP 488.A OD2 no hydrogen 2.684 N/A GLU 485.A N GLN 481.A O no hydrogen 2.992 N/A ILE 486.A N LYS 482.A O no hydrogen 2.927 N/A MET 487.A N ALA 483.A O no hydrogen 2.877 N/A ASP 488.A N LYS 484.A O no hydrogen 2.860 N/A ALA 489.A N GLU 485.A O no hydrogen 2.847 N/A LEU 490.A N ILE 486.A O no hydrogen 2.939 N/A GLY 491.A N ASP 488.A O no hydrogen 3.217 N/A VAL 492.A N MET 487.A O no hydrogen 3.227 N/A ALA 496.A N PRO 493.A O no hydrogen 3.003 N/A ARG 497.A N GLU 494.A O no hydrogen 3.159 N/A ARG 497.A NE VAL 492.A O no hydrogen 2.833 N/A ARG 497.A NH1 ASP 488.A OD1 no hydrogen 2.954 N/A ARG 497.A NH2 ASP 488.A OD1 no hydrogen 2.722 N/A ARG 497.A NH2 VAL 492.A O no hydrogen 2.990 N/A GLY 499.A N VAL 38.A O no hydrogen 2.904 N/A GLU 501.A N GLU 501.A OE1 no hydrogen 2.816 N/A ASN 502.A N GLY 499.A O no hydrogen 2.978 N/A ASN 502.A ND2 ALA 495.A O no hydrogen 3.128 N/A ASN 502.A ND2 VAL 498.A O no hydrogen 2.782 N/A TYR 503.A N MET 500.A O no hydrogen 3.009 N/A TYR 503.A OH TYR 35.A OH no hydrogen 2.704 N/A PHE 505.A N ASN 408.A OD1 no hydrogen 2.887 N/A GLY 506.A N GLU 466.A OE2 no hydrogen 2.676 N/A ILE 507.A N GLU 466.A OE2 no hydrogen 3.019 N/A VAL 508.A N GLU 466.A OE1 no hydrogen 3.104 N/A GLY 511.A N TRP 390.A O no hydrogen 2.696 N/A THR 512.A N LYS 509.A O no hydrogen 3.109 N/A THR 512.A OG1 LYS 509.A O no hydrogen 2.620 N/A LYS 513.A NZ ASN 387.A O no hydrogen 3.361 N/A ILE 514.A N GLY 388.A O no hydrogen 3.095 N/A GLY 516.A N ALA 489.A O no hydrogen 2.696 N/A ALA 518.A N GLN 521.A OE1 no hydrogen 2.991 N/A GLN 521.A N ALA 518.A O no hydrogen 3.059 N/A LYS 526.A NZ ASP 370.A OD1 no hydrogen 2.722 N/A LYS 526.A NZ ASP 370.A OD2 no hydrogen 3.516 N/A VAL 527.A N ASN 365.A OD1 no hydrogen 2.974 N/A